USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 779 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.288 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 MET CE :methyl -169:sc= 0 (180deg=-0.0925) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 146:sc= 1.23 USER MOD Single : A 23 THR OG1 : rot -7:sc= 0.579 USER MOD Single : A 25 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.35) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -109:sc= 1.21 (180deg=0.189) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 36 CYS SG : rot 180:sc= 0.00189 USER MOD Single : A 37 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0.627 K(o=0.63,f=-5.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 67 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.43) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 90 GLN : amide:sc= -0.106 K(o=-0.11,f=-2.5!) USER MOD Single : A 91 GLN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 95 SER OG : rot -52:sc= 0.234 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.403 -19.746 -27.030 1.00 0.00 N ATOM 2 CA GLY A 1 -0.101 -20.392 -25.752 1.00 0.00 C ATOM 3 C GLY A 1 1.342 -20.098 -25.412 1.00 0.00 C ATOM 4 O GLY A 1 2.237 -20.850 -25.799 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.393 -19.933 -27.288 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.256 -18.720 -26.944 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.225 -20.125 -27.768 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.761 -20.017 -24.970 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.265 -21.467 -25.820 1.00 0.00 H new ATOM 8 N SER A 2 1.589 -18.966 -24.759 1.00 0.00 N ATOM 9 CA SER A 2 2.934 -18.487 -24.496 1.00 0.00 C ATOM 10 C SER A 2 3.542 -19.129 -23.249 1.00 0.00 C ATOM 11 O SER A 2 2.938 -19.989 -22.597 1.00 0.00 O ATOM 12 CB SER A 2 2.895 -16.959 -24.390 1.00 0.00 C ATOM 13 OG SER A 2 2.657 -16.378 -25.668 1.00 0.00 O ATOM 0 H SER A 2 0.856 -18.356 -24.398 1.00 0.00 H new ATOM 0 HA SER A 2 3.584 -18.777 -25.321 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.112 -16.656 -23.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.839 -16.592 -23.987 1.00 0.00 H new ATOM 0 HG SER A 2 2.633 -15.402 -25.584 1.00 0.00 H new ATOM 19 N SER A 3 4.764 -18.696 -22.931 1.00 0.00 N ATOM 20 CA SER A 3 5.509 -18.981 -21.717 1.00 0.00 C ATOM 21 C SER A 3 4.856 -18.260 -20.524 1.00 0.00 C ATOM 22 O SER A 3 5.448 -17.381 -19.887 1.00 0.00 O ATOM 23 CB SER A 3 6.974 -18.594 -21.971 1.00 0.00 C ATOM 24 OG SER A 3 7.847 -19.389 -21.202 1.00 0.00 O ATOM 0 H SER A 3 5.290 -18.095 -23.565 1.00 0.00 H new ATOM 0 HA SER A 3 5.490 -20.039 -21.456 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.207 -18.712 -23.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.124 -17.542 -21.727 1.00 0.00 H new ATOM 0 HG SER A 3 8.774 -19.125 -21.382 1.00 0.00 H new ATOM 30 N GLY A 4 3.607 -18.629 -20.240 1.00 0.00 N ATOM 31 CA GLY A 4 2.749 -18.057 -19.222 1.00 0.00 C ATOM 32 C GLY A 4 2.081 -16.768 -19.696 1.00 0.00 C ATOM 33 O GLY A 4 2.639 -16.008 -20.495 1.00 0.00 O ATOM 0 H GLY A 4 3.146 -19.382 -20.750 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.983 -18.781 -18.944 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.335 -17.853 -18.326 1.00 0.00 H new ATOM 37 N SER A 5 0.913 -16.505 -19.116 1.00 0.00 N ATOM 38 CA SER A 5 0.306 -15.200 -18.949 1.00 0.00 C ATOM 39 C SER A 5 -0.614 -15.306 -17.739 1.00 0.00 C ATOM 40 O SER A 5 -1.757 -15.772 -17.834 1.00 0.00 O ATOM 41 CB SER A 5 -0.452 -14.741 -20.201 1.00 0.00 C ATOM 42 OG SER A 5 0.432 -14.029 -21.041 1.00 0.00 O ATOM 0 H SER A 5 0.333 -17.249 -18.728 1.00 0.00 H new ATOM 0 HA SER A 5 1.073 -14.442 -18.794 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.861 -15.602 -20.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.295 -14.109 -19.920 1.00 0.00 H new ATOM 0 HG SER A 5 1.298 -14.488 -21.069 1.00 0.00 H new ATOM 48 N SER A 6 -0.094 -14.920 -16.582 1.00 0.00 N ATOM 49 CA SER A 6 -0.892 -14.412 -15.486 1.00 0.00 C ATOM 50 C SER A 6 -0.042 -13.349 -14.791 1.00 0.00 C ATOM 51 O SER A 6 1.197 -13.351 -14.884 1.00 0.00 O ATOM 52 CB SER A 6 -1.324 -15.542 -14.539 1.00 0.00 C ATOM 53 OG SER A 6 -2.641 -15.319 -14.070 1.00 0.00 O ATOM 0 H SER A 6 0.905 -14.953 -16.381 1.00 0.00 H new ATOM 0 HA SER A 6 -1.824 -13.971 -15.840 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.274 -16.499 -15.058 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.636 -15.601 -13.695 1.00 0.00 H new ATOM 0 HG SER A 6 -2.902 -16.048 -13.469 1.00 0.00 H new ATOM 59 N GLY A 7 -0.721 -12.433 -14.116 1.00 0.00 N ATOM 60 CA GLY A 7 -0.175 -11.229 -13.525 1.00 0.00 C ATOM 61 C GLY A 7 -1.081 -10.866 -12.361 1.00 0.00 C ATOM 62 O GLY A 7 -1.418 -11.745 -11.565 1.00 0.00 O ATOM 0 H GLY A 7 -1.725 -12.519 -13.960 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.847 -11.394 -13.183 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.140 -10.421 -14.255 1.00 0.00 H new ATOM 66 N GLN A 8 -1.525 -9.605 -12.312 1.00 0.00 N ATOM 67 CA GLN A 8 -2.318 -9.060 -11.214 1.00 0.00 C ATOM 68 C GLN A 8 -1.574 -9.315 -9.895 1.00 0.00 C ATOM 69 O GLN A 8 -0.370 -9.583 -9.887 1.00 0.00 O ATOM 70 CB GLN A 8 -3.778 -9.590 -11.254 1.00 0.00 C ATOM 71 CG GLN A 8 -4.681 -8.855 -12.262 1.00 0.00 C ATOM 72 CD GLN A 8 -4.872 -9.579 -13.594 1.00 0.00 C ATOM 73 OE1 GLN A 8 -3.803 -9.854 -14.318 1.00 0.00 O flip ATOM 74 NE2 GLN A 8 -5.994 -9.855 -14.011 1.00 0.00 N flip ATOM 0 H GLN A 8 -1.338 -8.926 -13.050 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.426 -7.980 -11.313 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.762 -10.651 -11.502 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.214 -9.501 -10.259 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.658 -8.698 -11.806 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.258 -7.870 -12.457 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.815 -9.640 -13.446 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.104 -10.300 -14.922 1.00 0.00 H new ATOM 83 N TYR A 9 -2.262 -9.169 -8.766 1.00 0.00 N ATOM 84 CA TYR A 9 -1.685 -9.428 -7.464 1.00 0.00 C ATOM 85 C TYR A 9 -1.244 -10.879 -7.304 1.00 0.00 C ATOM 86 O TYR A 9 -0.314 -11.128 -6.543 1.00 0.00 O ATOM 87 CB TYR A 9 -2.663 -9.001 -6.369 1.00 0.00 C ATOM 88 CG TYR A 9 -4.096 -9.457 -6.555 1.00 0.00 C ATOM 89 CD1 TYR A 9 -4.471 -10.785 -6.271 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.058 -8.537 -7.016 1.00 0.00 C ATOM 91 CE1 TYR A 9 -5.801 -11.198 -6.463 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.391 -8.940 -7.187 1.00 0.00 C ATOM 93 CZ TYR A 9 -6.765 -10.276 -6.922 1.00 0.00 C ATOM 94 OH TYR A 9 -8.057 -10.669 -7.060 1.00 0.00 O ATOM 0 H TYR A 9 -3.236 -8.867 -8.735 1.00 0.00 H new ATOM 0 HA TYR A 9 -0.778 -8.831 -7.369 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.300 -9.382 -5.414 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.653 -7.913 -6.302 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.736 -11.487 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.769 -7.520 -7.238 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.084 -12.220 -6.259 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.131 -8.228 -7.521 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.595 -9.917 -7.384 1.00 0.00 H new ATOM 104 N GLU A 10 -1.868 -11.828 -8.010 1.00 0.00 N ATOM 105 CA GLU A 10 -1.559 -13.249 -7.874 1.00 0.00 C ATOM 106 C GLU A 10 -0.112 -13.572 -8.235 1.00 0.00 C ATOM 107 O GLU A 10 0.473 -14.433 -7.585 1.00 0.00 O ATOM 108 CB GLU A 10 -2.543 -14.121 -8.664 1.00 0.00 C ATOM 109 CG GLU A 10 -3.822 -14.369 -7.850 1.00 0.00 C ATOM 110 CD GLU A 10 -4.753 -15.384 -8.519 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.622 -14.997 -9.334 1.00 0.00 O ATOM 112 OE2 GLU A 10 -4.650 -16.589 -8.188 1.00 0.00 O ATOM 0 H GLU A 10 -2.601 -11.629 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.678 -13.490 -6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.794 -13.633 -9.606 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.074 -15.073 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.553 -14.727 -6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.353 -13.426 -7.716 1.00 0.00 H new ATOM 119 N LEU A 11 0.502 -12.848 -9.176 1.00 0.00 N ATOM 120 CA LEU A 11 1.937 -12.944 -9.449 1.00 0.00 C ATOM 121 C LEU A 11 2.709 -12.823 -8.133 1.00 0.00 C ATOM 122 O LEU A 11 3.528 -13.676 -7.775 1.00 0.00 O ATOM 123 CB LEU A 11 2.330 -11.821 -10.430 1.00 0.00 C ATOM 124 CG LEU A 11 3.708 -11.906 -11.120 1.00 0.00 C ATOM 125 CD1 LEU A 11 4.907 -12.223 -10.219 1.00 0.00 C ATOM 126 CD2 LEU A 11 3.691 -12.921 -12.264 1.00 0.00 C ATOM 0 H LEU A 11 0.015 -12.177 -9.771 1.00 0.00 H new ATOM 0 HA LEU A 11 2.180 -13.906 -9.901 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.569 -11.778 -11.209 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.286 -10.876 -9.889 1.00 0.00 H new ATOM 0 HG LEU A 11 3.860 -10.888 -11.478 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.816 -12.255 -10.820 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.004 -11.450 -9.457 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.755 -13.189 -9.738 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.675 -12.959 -12.731 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.437 -13.906 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.949 -12.622 -13.005 1.00 0.00 H new ATOM 138 N TYR A 12 2.439 -11.737 -7.417 1.00 0.00 N ATOM 139 CA TYR A 12 3.184 -11.334 -6.245 1.00 0.00 C ATOM 140 C TYR A 12 2.692 -12.044 -4.984 1.00 0.00 C ATOM 141 O TYR A 12 3.392 -11.974 -3.975 1.00 0.00 O ATOM 142 CB TYR A 12 3.081 -9.818 -6.037 1.00 0.00 C ATOM 143 CG TYR A 12 2.840 -8.948 -7.252 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.716 -8.956 -8.352 1.00 0.00 C ATOM 145 CD2 TYR A 12 1.703 -8.124 -7.273 1.00 0.00 C ATOM 146 CE1 TYR A 12 3.429 -8.171 -9.485 1.00 0.00 C ATOM 147 CE2 TYR A 12 1.415 -7.345 -8.401 1.00 0.00 C ATOM 148 CZ TYR A 12 2.277 -7.354 -9.514 1.00 0.00 C ATOM 149 OH TYR A 12 1.989 -6.574 -10.595 1.00 0.00 O ATOM 0 H TYR A 12 1.675 -11.101 -7.647 1.00 0.00 H new ATOM 0 HA TYR A 12 4.223 -11.616 -6.417 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.274 -9.632 -5.328 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.004 -9.483 -5.564 1.00 0.00 H new ATOM 0 HD1 TYR A 12 4.608 -9.564 -8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.047 -8.091 -6.415 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.093 -8.194 -10.336 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.525 -6.733 -8.417 1.00 0.00 H new ATOM 0 HH TYR A 12 2.340 -6.997 -11.406 1.00 0.00 H new ATOM 159 N MET A 13 1.520 -12.701 -4.988 1.00 0.00 N ATOM 160 CA MET A 13 0.938 -13.350 -3.805 1.00 0.00 C ATOM 161 C MET A 13 1.967 -14.268 -3.158 1.00 0.00 C ATOM 162 O MET A 13 2.156 -14.238 -1.943 1.00 0.00 O ATOM 163 CB MET A 13 -0.326 -14.155 -4.159 1.00 0.00 C ATOM 164 CG MET A 13 -1.583 -13.284 -4.177 1.00 0.00 C ATOM 165 SD MET A 13 -2.147 -12.730 -2.543 1.00 0.00 S ATOM 166 CE MET A 13 -2.558 -11.011 -2.927 1.00 0.00 C ATOM 0 H MET A 13 0.944 -12.796 -5.824 1.00 0.00 H new ATOM 0 HA MET A 13 0.650 -12.566 -3.105 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.196 -14.621 -5.136 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.455 -14.961 -3.436 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.392 -12.408 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 13 -2.388 -13.842 -4.654 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.736 -10.464 -2.001 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.730 -10.551 -3.467 1.00 0.00 H new ATOM 0 HE3 MET A 13 -3.456 -10.981 -3.545 1.00 0.00 H new ATOM 176 N TYR A 14 2.654 -15.049 -3.988 1.00 0.00 N ATOM 177 CA TYR A 14 3.576 -16.079 -3.544 1.00 0.00 C ATOM 178 C TYR A 14 5.009 -15.543 -3.405 1.00 0.00 C ATOM 179 O TYR A 14 5.865 -16.254 -2.879 1.00 0.00 O ATOM 180 CB TYR A 14 3.531 -17.241 -4.559 1.00 0.00 C ATOM 181 CG TYR A 14 2.190 -17.456 -5.248 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.035 -17.726 -4.491 1.00 0.00 C ATOM 183 CD2 TYR A 14 2.078 -17.286 -6.641 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.221 -17.794 -5.116 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.826 -17.381 -7.274 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.340 -17.599 -6.509 1.00 0.00 C ATOM 187 OH TYR A 14 -1.569 -17.635 -7.098 1.00 0.00 O ATOM 0 H TYR A 14 2.581 -14.979 -5.003 1.00 0.00 H new ATOM 0 HA TYR A 14 3.272 -16.425 -2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.288 -17.063 -5.323 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.807 -18.161 -4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.115 -17.882 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.961 -17.081 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.103 -17.997 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.756 -17.287 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.475 -17.481 -8.061 1.00 0.00 H new ATOM 197 N ARG A 15 5.316 -14.351 -3.930 1.00 0.00 N ATOM 198 CA ARG A 15 6.663 -13.848 -4.210 1.00 0.00 C ATOM 199 C ARG A 15 7.079 -12.855 -3.109 1.00 0.00 C ATOM 200 O ARG A 15 6.311 -12.576 -2.185 1.00 0.00 O ATOM 201 CB ARG A 15 6.632 -13.210 -5.626 1.00 0.00 C ATOM 202 CG ARG A 15 7.758 -13.604 -6.603 1.00 0.00 C ATOM 203 CD ARG A 15 9.148 -13.111 -6.188 1.00 0.00 C ATOM 204 NE ARG A 15 10.077 -12.892 -7.319 1.00 0.00 N ATOM 205 CZ ARG A 15 11.133 -13.646 -7.656 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.259 -14.871 -7.154 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.065 -13.197 -8.493 1.00 0.00 N ATOM 0 H ARG A 15 4.593 -13.678 -4.184 1.00 0.00 H new ATOM 0 HA ARG A 15 7.409 -14.642 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.679 -13.464 -6.090 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.651 -12.127 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.782 -14.690 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.523 -13.206 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.040 -12.178 -5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.590 -13.837 -5.505 1.00 0.00 H new ATOM 0 HE ARG A 15 9.894 -12.078 -7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.553 -15.235 -6.514 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.062 -15.447 -7.409 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.984 -12.262 -8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.860 -13.788 -8.735 1.00 0.00 H new ATOM 221 N GLU A 16 8.292 -12.310 -3.197 1.00 0.00 N ATOM 222 CA GLU A 16 8.753 -11.186 -2.388 1.00 0.00 C ATOM 223 C GLU A 16 8.922 -9.938 -3.246 1.00 0.00 C ATOM 224 O GLU A 16 8.862 -9.997 -4.476 1.00 0.00 O ATOM 225 CB GLU A 16 10.036 -11.550 -1.622 1.00 0.00 C ATOM 226 CG GLU A 16 9.783 -12.627 -0.550 1.00 0.00 C ATOM 227 CD GLU A 16 10.584 -13.922 -0.762 1.00 0.00 C ATOM 228 OE1 GLU A 16 10.630 -14.463 -1.890 1.00 0.00 O ATOM 229 OE2 GLU A 16 11.170 -14.446 0.217 1.00 0.00 O ATOM 0 H GLU A 16 8.998 -12.648 -3.851 1.00 0.00 H new ATOM 0 HA GLU A 16 7.993 -10.959 -1.640 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.788 -11.908 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.442 -10.656 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 16 10.030 -12.216 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.720 -12.868 -0.536 1.00 0.00 H new ATOM 236 N VAL A 17 9.087 -8.795 -2.583 1.00 0.00 N ATOM 237 CA VAL A 17 9.231 -7.491 -3.195 1.00 0.00 C ATOM 238 C VAL A 17 9.923 -6.606 -2.163 1.00 0.00 C ATOM 239 O VAL A 17 9.619 -6.682 -0.966 1.00 0.00 O ATOM 240 CB VAL A 17 7.856 -6.957 -3.656 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.754 -7.117 -2.600 1.00 0.00 C ATOM 242 CG2 VAL A 17 7.919 -5.496 -4.122 1.00 0.00 C ATOM 0 H VAL A 17 9.124 -8.759 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 17 9.837 -7.519 -4.101 1.00 0.00 H new ATOM 0 HB VAL A 17 7.591 -7.583 -4.508 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.816 -6.722 -2.990 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.631 -8.173 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.031 -6.570 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.927 -5.171 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.265 -4.867 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.610 -5.411 -4.961 1.00 0.00 H new ATOM 252 N ASP A 18 10.869 -5.782 -2.607 1.00 0.00 N ATOM 253 CA ASP A 18 11.713 -5.018 -1.704 1.00 0.00 C ATOM 254 C ASP A 18 10.984 -3.771 -1.261 1.00 0.00 C ATOM 255 O ASP A 18 10.963 -2.769 -1.968 1.00 0.00 O ATOM 256 CB ASP A 18 13.061 -4.690 -2.346 1.00 0.00 C ATOM 257 CG ASP A 18 13.952 -5.907 -2.165 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.401 -6.128 -1.008 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.154 -6.685 -3.116 1.00 0.00 O ATOM 0 H ASP A 18 11.068 -5.629 -3.596 1.00 0.00 H new ATOM 0 HA ASP A 18 11.927 -5.623 -0.823 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.937 -4.458 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.507 -3.813 -1.877 1.00 0.00 H new ATOM 264 N THR A 19 10.373 -3.818 -0.081 1.00 0.00 N ATOM 265 CA THR A 19 9.531 -2.743 0.412 1.00 0.00 C ATOM 266 C THR A 19 10.266 -1.392 0.474 1.00 0.00 C ATOM 267 O THR A 19 9.638 -0.345 0.286 1.00 0.00 O ATOM 268 CB THR A 19 8.911 -3.141 1.758 1.00 0.00 C ATOM 269 OG1 THR A 19 9.919 -3.476 2.694 1.00 0.00 O ATOM 270 CG2 THR A 19 7.970 -4.342 1.625 1.00 0.00 C ATOM 0 H THR A 19 10.451 -4.608 0.560 1.00 0.00 H new ATOM 0 HA THR A 19 8.722 -2.592 -0.303 1.00 0.00 H new ATOM 0 HB THR A 19 8.342 -2.277 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.635 -3.205 3.592 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.554 -4.588 2.602 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.161 -4.096 0.938 1.00 0.00 H new ATOM 0 HG23 THR A 19 8.525 -5.198 1.240 1.00 0.00 H new ATOM 278 N LEU A 20 11.585 -1.386 0.711 1.00 0.00 N ATOM 279 CA LEU A 20 12.383 -0.170 0.710 1.00 0.00 C ATOM 280 C LEU A 20 12.353 0.460 -0.679 1.00 0.00 C ATOM 281 O LEU A 20 11.960 1.622 -0.807 1.00 0.00 O ATOM 282 CB LEU A 20 13.832 -0.472 1.145 1.00 0.00 C ATOM 283 CG LEU A 20 14.160 -0.080 2.594 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.969 1.425 2.857 1.00 0.00 C ATOM 285 CD2 LEU A 20 13.356 -0.887 3.622 1.00 0.00 C ATOM 0 H LEU A 20 12.122 -2.230 0.908 1.00 0.00 H new ATOM 0 HA LEU A 20 11.960 0.535 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.020 -1.538 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.515 0.053 0.477 1.00 0.00 H new ATOM 0 HG LEU A 20 15.216 -0.321 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 20 14.214 1.647 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.625 1.995 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.932 1.700 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.628 -0.568 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 20 12.291 -0.719 3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.577 -1.948 3.505 1.00 0.00 H new ATOM 297 N GLU A 21 12.744 -0.306 -1.698 1.00 0.00 N ATOM 298 CA GLU A 21 12.754 0.119 -3.091 1.00 0.00 C ATOM 299 C GLU A 21 11.337 0.475 -3.549 1.00 0.00 C ATOM 300 O GLU A 21 11.135 1.487 -4.214 1.00 0.00 O ATOM 301 CB GLU A 21 13.368 -0.986 -3.967 1.00 0.00 C ATOM 302 CG GLU A 21 13.269 -0.581 -5.440 1.00 0.00 C ATOM 303 CD GLU A 21 13.956 -1.532 -6.407 1.00 0.00 C ATOM 304 OE1 GLU A 21 15.208 -1.459 -6.494 1.00 0.00 O ATOM 305 OE2 GLU A 21 13.239 -2.189 -7.189 1.00 0.00 O ATOM 0 H GLU A 21 13.070 -1.264 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 21 13.368 1.014 -3.192 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.410 -1.146 -3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.846 -1.929 -3.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.216 -0.505 -5.712 1.00 0.00 H new ATOM 0 HG3 GLU A 21 13.701 0.412 -5.560 1.00 0.00 H new ATOM 312 N LEU A 22 10.340 -0.316 -3.160 1.00 0.00 N ATOM 313 CA LEU A 22 8.953 -0.085 -3.519 1.00 0.00 C ATOM 314 C LEU A 22 8.516 1.305 -3.058 1.00 0.00 C ATOM 315 O LEU A 22 8.081 2.098 -3.884 1.00 0.00 O ATOM 316 CB LEU A 22 8.094 -1.230 -2.966 1.00 0.00 C ATOM 317 CG LEU A 22 6.576 -1.005 -3.051 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.111 -0.803 -4.491 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.835 -2.200 -2.444 1.00 0.00 C ATOM 0 H LEU A 22 10.480 -1.143 -2.580 1.00 0.00 H new ATOM 0 HA LEU A 22 8.822 -0.090 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.341 -2.143 -3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.364 -1.395 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 22 6.349 -0.099 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.032 -0.647 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.610 0.068 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.359 -1.686 -5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.760 -2.032 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.094 -3.106 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.123 -2.314 -1.399 1.00 0.00 H new ATOM 331 N THR A 23 8.653 1.642 -1.768 1.00 0.00 N ATOM 332 CA THR A 23 8.296 2.993 -1.309 1.00 0.00 C ATOM 333 C THR A 23 9.103 4.047 -2.068 1.00 0.00 C ATOM 334 O THR A 23 8.574 5.105 -2.400 1.00 0.00 O ATOM 335 CB THR A 23 8.498 3.171 0.202 1.00 0.00 C ATOM 336 OG1 THR A 23 9.811 2.857 0.628 1.00 0.00 O ATOM 337 CG2 THR A 23 7.539 2.271 0.959 1.00 0.00 C ATOM 0 H THR A 23 8.999 1.017 -1.040 1.00 0.00 H new ATOM 0 HA THR A 23 7.234 3.126 -1.516 1.00 0.00 H new ATOM 0 HB THR A 23 8.312 4.225 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.317 2.479 -0.122 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.687 2.402 2.031 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.513 2.533 0.700 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.727 1.231 0.691 1.00 0.00 H new ATOM 345 N ARG A 24 10.380 3.756 -2.331 1.00 0.00 N ATOM 346 CA ARG A 24 11.292 4.633 -3.067 1.00 0.00 C ATOM 347 C ARG A 24 10.704 4.996 -4.430 1.00 0.00 C ATOM 348 O ARG A 24 10.369 6.155 -4.649 1.00 0.00 O ATOM 349 CB ARG A 24 12.693 4.008 -3.173 1.00 0.00 C ATOM 350 CG ARG A 24 13.728 5.069 -3.534 1.00 0.00 C ATOM 351 CD ARG A 24 15.118 4.437 -3.538 1.00 0.00 C ATOM 352 NE ARG A 24 16.133 5.427 -3.912 1.00 0.00 N ATOM 353 CZ ARG A 24 17.443 5.183 -4.019 1.00 0.00 C ATOM 354 NH1 ARG A 24 17.965 4.015 -3.656 1.00 0.00 N ATOM 355 NH2 ARG A 24 18.245 6.138 -4.464 1.00 0.00 N ATOM 0 H ARG A 24 10.817 2.885 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 24 11.409 5.564 -2.512 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.960 3.539 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.691 3.223 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.505 5.492 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.691 5.889 -2.817 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.343 4.033 -2.551 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.142 3.601 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 24 15.814 6.376 -4.106 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.362 3.280 -3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.968 3.854 -3.748 1.00 0.00 H new ATOM 0 HH21 ARG A 24 17.861 7.048 -4.721 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.246 5.964 -4.550 1.00 0.00 H new ATOM 369 N GLN A 25 10.541 4.027 -5.329 1.00 0.00 N ATOM 370 CA GLN A 25 10.042 4.284 -6.674 1.00 0.00 C ATOM 371 C GLN A 25 8.613 4.814 -6.651 1.00 0.00 C ATOM 372 O GLN A 25 8.262 5.599 -7.528 1.00 0.00 O ATOM 373 CB GLN A 25 10.165 3.033 -7.548 1.00 0.00 C ATOM 374 CG GLN A 25 11.639 2.648 -7.756 1.00 0.00 C ATOM 375 CD GLN A 25 11.828 1.617 -8.867 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.196 1.683 -9.921 1.00 0.00 O ATOM 377 NE2 GLN A 25 12.656 0.613 -8.641 1.00 0.00 N ATOM 0 H GLN A 25 10.751 3.046 -5.144 1.00 0.00 H new ATOM 0 HA GLN A 25 10.663 5.063 -7.117 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.632 2.205 -7.081 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.693 3.212 -8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.214 3.543 -7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.041 2.250 -6.824 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.175 0.568 -7.764 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.776 -0.117 -9.343 1.00 0.00 H new ATOM 386 N VAL A 26 7.796 4.447 -5.656 1.00 0.00 N ATOM 387 CA VAL A 26 6.477 5.047 -5.492 1.00 0.00 C ATOM 388 C VAL A 26 6.638 6.562 -5.317 1.00 0.00 C ATOM 389 O VAL A 26 6.056 7.334 -6.083 1.00 0.00 O ATOM 390 CB VAL A 26 5.716 4.357 -4.341 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.425 5.083 -3.928 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.358 2.915 -4.734 1.00 0.00 C ATOM 0 H VAL A 26 8.028 3.740 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 26 5.864 4.894 -6.380 1.00 0.00 H new ATOM 0 HB VAL A 26 6.392 4.379 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.946 4.539 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.666 6.093 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.747 5.133 -4.780 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.821 2.437 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.728 2.926 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.271 2.358 -4.943 1.00 0.00 H new ATOM 402 N LYS A 27 7.441 6.999 -4.337 1.00 0.00 N ATOM 403 CA LYS A 27 7.692 8.418 -4.102 1.00 0.00 C ATOM 404 C LYS A 27 8.255 9.085 -5.351 1.00 0.00 C ATOM 405 O LYS A 27 7.747 10.142 -5.705 1.00 0.00 O ATOM 406 CB LYS A 27 8.629 8.613 -2.908 1.00 0.00 C ATOM 407 CG LYS A 27 7.970 8.216 -1.578 1.00 0.00 C ATOM 408 CD LYS A 27 8.990 8.177 -0.439 1.00 0.00 C ATOM 409 CE LYS A 27 9.974 7.006 -0.555 1.00 0.00 C ATOM 410 NZ LYS A 27 11.212 7.247 0.213 1.00 0.00 N ATOM 0 H LYS A 27 7.930 6.379 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 27 6.741 8.896 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.531 8.019 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.940 9.657 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.179 8.926 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.500 7.238 -1.681 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.548 9.113 -0.426 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.462 8.108 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.496 6.094 -0.197 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.223 6.844 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.850 6.432 0.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.682 8.103 -0.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.978 7.376 1.218 1.00 0.00 H new ATOM 424 N GLU A 28 9.238 8.489 -6.027 1.00 0.00 N ATOM 425 CA GLU A 28 9.811 9.043 -7.245 1.00 0.00 C ATOM 426 C GLU A 28 8.737 9.239 -8.324 1.00 0.00 C ATOM 427 O GLU A 28 8.586 10.347 -8.829 1.00 0.00 O ATOM 428 CB GLU A 28 10.958 8.134 -7.719 1.00 0.00 C ATOM 429 CG GLU A 28 12.266 8.911 -7.889 1.00 0.00 C ATOM 430 CD GLU A 28 12.208 9.962 -9.008 1.00 0.00 C ATOM 431 OE1 GLU A 28 11.665 9.676 -10.097 1.00 0.00 O ATOM 432 OE2 GLU A 28 12.768 11.064 -8.799 1.00 0.00 O ATOM 0 H GLU A 28 9.658 7.605 -5.740 1.00 0.00 H new ATOM 0 HA GLU A 28 10.219 10.033 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.105 7.329 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.686 7.669 -8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.512 9.405 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.072 8.209 -8.101 1.00 0.00 H new ATOM 439 N LYS A 29 7.937 8.214 -8.650 1.00 0.00 N ATOM 440 CA LYS A 29 6.858 8.332 -9.641 1.00 0.00 C ATOM 441 C LYS A 29 5.884 9.451 -9.274 1.00 0.00 C ATOM 442 O LYS A 29 5.548 10.273 -10.129 1.00 0.00 O ATOM 443 CB LYS A 29 6.167 6.988 -9.855 1.00 0.00 C ATOM 444 CG LYS A 29 5.067 7.049 -10.938 1.00 0.00 C ATOM 445 CD LYS A 29 4.905 5.689 -11.617 1.00 0.00 C ATOM 446 CE LYS A 29 5.914 5.581 -12.765 1.00 0.00 C ATOM 447 NZ LYS A 29 6.128 4.201 -13.242 1.00 0.00 N ATOM 0 H LYS A 29 8.019 7.285 -8.237 1.00 0.00 H new ATOM 0 HA LYS A 29 7.298 8.614 -10.598 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.910 6.243 -10.139 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.727 6.656 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.122 7.351 -10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.322 7.805 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.067 4.887 -10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.889 5.576 -11.997 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.570 6.194 -13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.868 5.994 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.074 3.878 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.409 3.575 -12.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.052 4.176 -14.279 1.00 0.00 H new ATOM 461 N LEU A 30 5.473 9.519 -8.003 1.00 0.00 N ATOM 462 CA LEU A 30 4.596 10.566 -7.493 1.00 0.00 C ATOM 463 C LEU A 30 5.258 11.924 -7.705 1.00 0.00 C ATOM 464 O LEU A 30 4.632 12.833 -8.235 1.00 0.00 O ATOM 465 CB LEU A 30 4.286 10.365 -5.995 1.00 0.00 C ATOM 466 CG LEU A 30 3.411 9.154 -5.639 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.470 8.891 -4.132 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.954 9.384 -6.036 1.00 0.00 C ATOM 0 H LEU A 30 5.746 8.838 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 30 3.653 10.519 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.231 10.274 -5.459 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.794 11.264 -5.624 1.00 0.00 H new ATOM 0 HG LEU A 30 3.797 8.296 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.847 8.031 -3.888 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.500 8.688 -3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.105 9.767 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.362 8.508 -5.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.567 10.257 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.892 9.551 -7.111 1.00 0.00 H new ATOM 480 N ALA A 31 6.505 12.089 -7.266 1.00 0.00 N ATOM 481 CA ALA A 31 7.276 13.323 -7.328 1.00 0.00 C ATOM 482 C ALA A 31 7.503 13.785 -8.766 1.00 0.00 C ATOM 483 O ALA A 31 7.438 14.985 -9.036 1.00 0.00 O ATOM 484 CB ALA A 31 8.617 13.102 -6.626 1.00 0.00 C ATOM 0 H ALA A 31 7.028 11.326 -6.837 1.00 0.00 H new ATOM 0 HA ALA A 31 6.711 14.109 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.204 14.020 -6.666 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.442 12.828 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.162 12.301 -7.126 1.00 0.00 H new ATOM 490 N LYS A 32 7.751 12.859 -9.694 1.00 0.00 N ATOM 491 CA LYS A 32 7.889 13.128 -11.117 1.00 0.00 C ATOM 492 C LYS A 32 6.596 13.726 -11.665 1.00 0.00 C ATOM 493 O LYS A 32 6.647 14.612 -12.515 1.00 0.00 O ATOM 494 CB LYS A 32 8.251 11.821 -11.842 1.00 0.00 C ATOM 495 CG LYS A 32 8.854 12.086 -13.225 1.00 0.00 C ATOM 496 CD LYS A 32 9.096 10.783 -14.000 1.00 0.00 C ATOM 497 CE LYS A 32 10.257 10.911 -14.993 1.00 0.00 C ATOM 498 NZ LYS A 32 10.195 9.897 -16.066 1.00 0.00 N ATOM 0 H LYS A 32 7.864 11.872 -9.463 1.00 0.00 H new ATOM 0 HA LYS A 32 8.686 13.853 -11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.961 11.255 -11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.358 11.204 -11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.185 12.730 -13.796 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.796 12.623 -13.114 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.308 9.977 -13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.189 10.507 -14.537 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.244 11.907 -15.437 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.202 10.813 -14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.000 10.025 -16.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.234 8.946 -15.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.307 10.006 -16.596 1.00 0.00 H new ATOM 512 N ASN A 33 5.447 13.231 -11.201 1.00 0.00 N ATOM 513 CA ASN A 33 4.139 13.683 -11.653 1.00 0.00 C ATOM 514 C ASN A 33 3.590 14.862 -10.852 1.00 0.00 C ATOM 515 O ASN A 33 2.632 15.479 -11.314 1.00 0.00 O ATOM 516 CB ASN A 33 3.152 12.504 -11.672 1.00 0.00 C ATOM 517 CG ASN A 33 3.126 11.912 -13.070 1.00 0.00 C ATOM 518 OD1 ASN A 33 2.740 12.603 -14.008 1.00 0.00 O ATOM 519 ND2 ASN A 33 3.577 10.684 -13.248 1.00 0.00 N ATOM 0 H ASN A 33 5.403 12.498 -10.494 1.00 0.00 H new ATOM 0 HA ASN A 33 4.266 14.060 -12.668 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.453 11.748 -10.947 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.156 12.841 -11.386 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.612 10.284 -14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.891 10.135 -12.448 1.00 0.00 H new ATOM 526 N GLY A 34 4.196 15.209 -9.713 1.00 0.00 N ATOM 527 CA GLY A 34 3.773 16.295 -8.836 1.00 0.00 C ATOM 528 C GLY A 34 2.692 15.883 -7.830 1.00 0.00 C ATOM 529 O GLY A 34 2.110 16.742 -7.170 1.00 0.00 O ATOM 0 H GLY A 34 5.023 14.722 -9.368 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.640 16.671 -8.292 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.397 17.117 -9.445 1.00 0.00 H new ATOM 533 N ILE A 35 2.389 14.590 -7.713 1.00 0.00 N ATOM 534 CA ILE A 35 1.278 14.069 -6.922 1.00 0.00 C ATOM 535 C ILE A 35 1.670 14.082 -5.440 1.00 0.00 C ATOM 536 O ILE A 35 2.770 13.653 -5.078 1.00 0.00 O ATOM 537 CB ILE A 35 0.890 12.664 -7.417 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.438 12.762 -8.891 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.246 12.042 -6.574 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.346 11.398 -9.559 1.00 0.00 C ATOM 0 H ILE A 35 2.925 13.858 -8.179 1.00 0.00 H new ATOM 0 HA ILE A 35 0.397 14.700 -7.041 1.00 0.00 H new ATOM 0 HB ILE A 35 1.763 12.018 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.534 13.254 -8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.139 13.388 -9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.485 11.051 -6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.075 11.958 -5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.130 12.677 -6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.025 11.520 -10.593 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.323 10.916 -9.537 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.376 10.780 -9.025 1.00 0.00 H new ATOM 552 N CYS A 36 0.752 14.516 -4.576 1.00 0.00 N ATOM 553 CA CYS A 36 0.913 14.475 -3.131 1.00 0.00 C ATOM 554 C CYS A 36 0.868 13.024 -2.655 1.00 0.00 C ATOM 555 O CYS A 36 -0.150 12.356 -2.866 1.00 0.00 O ATOM 556 CB CYS A 36 -0.238 15.246 -2.477 1.00 0.00 C ATOM 557 SG CYS A 36 -0.296 16.959 -3.050 1.00 0.00 S ATOM 0 H CYS A 36 -0.140 14.913 -4.872 1.00 0.00 H new ATOM 0 HA CYS A 36 1.868 14.923 -2.858 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.183 14.753 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.121 15.227 -1.393 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.285 17.576 -2.475 1.00 0.00 H new ATOM 563 N GLN A 37 1.902 12.551 -1.948 1.00 0.00 N ATOM 564 CA GLN A 37 1.868 11.239 -1.306 1.00 0.00 C ATOM 565 C GLN A 37 0.709 11.146 -0.309 1.00 0.00 C ATOM 566 O GLN A 37 0.147 10.067 -0.140 1.00 0.00 O ATOM 567 CB GLN A 37 3.175 10.888 -0.564 1.00 0.00 C ATOM 568 CG GLN A 37 4.501 11.210 -1.294 1.00 0.00 C ATOM 569 CD GLN A 37 5.422 12.173 -0.527 1.00 0.00 C ATOM 570 OE1 GLN A 37 5.014 12.872 0.397 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.685 12.258 -0.907 1.00 0.00 N ATOM 0 H GLN A 37 2.773 13.062 -1.808 1.00 0.00 H new ATOM 0 HA GLN A 37 1.735 10.524 -2.118 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.176 11.415 0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.162 9.822 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.038 10.279 -1.477 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.271 11.642 -2.268 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.027 11.679 -1.674 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.318 12.903 -0.433 1.00 0.00 H new ATOM 580 N ARG A 38 0.339 12.259 0.340 1.00 0.00 N ATOM 581 CA ARG A 38 -0.755 12.300 1.312 1.00 0.00 C ATOM 582 C ARG A 38 -2.061 11.851 0.651 1.00 0.00 C ATOM 583 O ARG A 38 -2.694 10.887 1.078 1.00 0.00 O ATOM 584 CB ARG A 38 -0.871 13.731 1.880 1.00 0.00 C ATOM 585 CG ARG A 38 -1.659 13.798 3.194 1.00 0.00 C ATOM 586 CD ARG A 38 -2.596 15.008 3.219 1.00 0.00 C ATOM 587 NE ARG A 38 -3.873 14.680 2.568 1.00 0.00 N ATOM 588 CZ ARG A 38 -4.846 13.930 3.101 1.00 0.00 C ATOM 589 NH1 ARG A 38 -4.824 13.549 4.372 1.00 0.00 N ATOM 590 NH2 ARG A 38 -5.869 13.529 2.368 1.00 0.00 N ATOM 0 H ARG A 38 0.796 13.161 0.202 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.550 11.615 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.129 14.132 2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.354 14.370 1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.239 12.884 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.966 13.854 4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.774 15.317 4.249 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.127 15.850 2.710 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.031 15.055 1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.050 13.827 4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.582 12.978 4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.925 13.790 1.384 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.603 12.958 2.786 1.00 0.00 H new ATOM 604 N ILE A 39 -2.466 12.550 -0.408 1.00 0.00 N ATOM 605 CA ILE A 39 -3.709 12.294 -1.134 1.00 0.00 C ATOM 606 C ILE A 39 -3.587 10.944 -1.837 1.00 0.00 C ATOM 607 O ILE A 39 -4.564 10.204 -1.876 1.00 0.00 O ATOM 608 CB ILE A 39 -3.943 13.443 -2.147 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.201 14.774 -1.402 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.096 13.154 -3.123 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.114 15.989 -2.328 1.00 0.00 C ATOM 0 H ILE A 39 -1.928 13.326 -0.793 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.563 12.258 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.033 13.525 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.188 14.743 -0.940 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.475 14.882 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.212 13.994 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.874 12.251 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.020 13.012 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.303 16.897 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.119 16.039 -2.770 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.858 15.898 -3.119 1.00 0.00 H new ATOM 623 N PHE A 40 -2.420 10.597 -2.385 1.00 0.00 N ATOM 624 CA PHE A 40 -2.189 9.272 -2.946 1.00 0.00 C ATOM 625 C PHE A 40 -2.527 8.201 -1.903 1.00 0.00 C ATOM 626 O PHE A 40 -3.281 7.284 -2.201 1.00 0.00 O ATOM 627 CB PHE A 40 -0.745 9.161 -3.453 1.00 0.00 C ATOM 628 CG PHE A 40 -0.200 7.747 -3.549 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.432 6.978 -4.705 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.558 7.204 -2.488 1.00 0.00 C ATOM 631 CE1 PHE A 40 0.075 5.672 -4.802 1.00 0.00 C ATOM 632 CE2 PHE A 40 1.093 5.907 -2.600 1.00 0.00 C ATOM 633 CZ PHE A 40 0.837 5.138 -3.752 1.00 0.00 C ATOM 0 H PHE A 40 -1.618 11.223 -2.450 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.844 9.111 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.686 9.623 -4.438 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.099 9.738 -2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.003 7.395 -5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.727 7.783 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.121 5.080 -5.683 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.699 5.502 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.228 4.134 -3.827 1.00 0.00 H new ATOM 643 N GLY A 41 -2.024 8.308 -0.674 1.00 0.00 N ATOM 644 CA GLY A 41 -2.298 7.323 0.354 1.00 0.00 C ATOM 645 C GLY A 41 -3.788 7.205 0.649 1.00 0.00 C ATOM 646 O GLY A 41 -4.340 6.108 0.692 1.00 0.00 O ATOM 0 H GLY A 41 -1.422 9.074 -0.372 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.913 6.353 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.768 7.595 1.267 1.00 0.00 H new ATOM 650 N GLU A 42 -4.430 8.350 0.830 1.00 0.00 N ATOM 651 CA GLU A 42 -5.822 8.463 1.227 1.00 0.00 C ATOM 652 C GLU A 42 -6.743 7.962 0.103 1.00 0.00 C ATOM 653 O GLU A 42 -7.646 7.167 0.355 1.00 0.00 O ATOM 654 CB GLU A 42 -6.034 9.933 1.639 1.00 0.00 C ATOM 655 CG GLU A 42 -5.393 10.204 3.024 1.00 0.00 C ATOM 656 CD GLU A 42 -6.384 10.535 4.145 1.00 0.00 C ATOM 657 OE1 GLU A 42 -6.954 11.656 4.088 1.00 0.00 O ATOM 658 OE2 GLU A 42 -6.531 9.755 5.108 1.00 0.00 O ATOM 0 H GLU A 42 -3.979 9.255 0.700 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.078 7.830 2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.594 10.594 0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.100 10.157 1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.816 9.327 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.690 11.031 2.926 1.00 0.00 H new ATOM 665 N LYS A 43 -6.541 8.388 -1.148 1.00 0.00 N ATOM 666 CA LYS A 43 -7.385 8.039 -2.289 1.00 0.00 C ATOM 667 C LYS A 43 -6.975 6.736 -2.961 1.00 0.00 C ATOM 668 O LYS A 43 -7.835 5.917 -3.278 1.00 0.00 O ATOM 669 CB LYS A 43 -7.341 9.156 -3.331 1.00 0.00 C ATOM 670 CG LYS A 43 -7.908 10.478 -2.789 1.00 0.00 C ATOM 671 CD LYS A 43 -8.500 11.283 -3.943 1.00 0.00 C ATOM 672 CE LYS A 43 -7.436 11.728 -4.954 1.00 0.00 C ATOM 673 NZ LYS A 43 -7.986 11.925 -6.306 1.00 0.00 N ATOM 0 H LYS A 43 -5.765 9.001 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.393 7.908 -1.895 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.311 9.309 -3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.909 8.853 -4.211 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.673 10.279 -2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.121 11.050 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.252 10.682 -4.453 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.009 12.161 -3.546 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.981 12.658 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.643 10.981 -4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.226 12.225 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.397 11.032 -6.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.724 12.657 -6.277 1.00 0.00 H new ATOM 687 N VAL A 44 -5.698 6.581 -3.312 1.00 0.00 N ATOM 688 CA VAL A 44 -5.195 5.394 -4.001 1.00 0.00 C ATOM 689 C VAL A 44 -5.125 4.272 -2.969 1.00 0.00 C ATOM 690 O VAL A 44 -5.898 3.319 -3.062 1.00 0.00 O ATOM 691 CB VAL A 44 -3.851 5.646 -4.743 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.397 4.436 -5.568 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.950 6.864 -5.678 1.00 0.00 C ATOM 0 H VAL A 44 -4.980 7.280 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.873 5.108 -4.805 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.113 5.832 -3.962 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.454 4.667 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.260 3.578 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.154 4.202 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.995 7.014 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.729 6.690 -6.420 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.196 7.751 -5.095 1.00 0.00 H new ATOM 703 N LEU A 45 -4.195 4.340 -2.011 1.00 0.00 N ATOM 704 CA LEU A 45 -3.923 3.188 -1.145 1.00 0.00 C ATOM 705 C LEU A 45 -5.103 2.868 -0.228 1.00 0.00 C ATOM 706 O LEU A 45 -5.190 1.730 0.236 1.00 0.00 O ATOM 707 CB LEU A 45 -2.639 3.376 -0.313 1.00 0.00 C ATOM 708 CG LEU A 45 -1.348 3.451 -1.147 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.161 3.818 -0.250 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.034 2.112 -1.807 1.00 0.00 C ATOM 0 H LEU A 45 -3.627 5.165 -1.817 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.772 2.340 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.731 4.289 0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.554 2.550 0.393 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.504 4.210 -1.914 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.747 3.868 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.342 4.787 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.042 3.060 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.116 2.199 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.906 1.349 -1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.855 1.830 -2.466 1.00 0.00 H new ATOM 722 N GLY A 46 -6.002 3.825 0.019 1.00 0.00 N ATOM 723 CA GLY A 46 -7.133 3.630 0.910 1.00 0.00 C ATOM 724 C GLY A 46 -6.668 3.487 2.357 1.00 0.00 C ATOM 725 O GLY A 46 -7.283 2.754 3.132 1.00 0.00 O ATOM 0 H GLY A 46 -5.960 4.755 -0.397 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.817 4.474 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.687 2.740 0.612 1.00 0.00 H new ATOM 729 N LEU A 47 -5.550 4.124 2.716 1.00 0.00 N ATOM 730 CA LEU A 47 -4.986 4.110 4.054 1.00 0.00 C ATOM 731 C LEU A 47 -5.148 5.498 4.651 1.00 0.00 C ATOM 732 O LEU A 47 -4.882 6.496 3.977 1.00 0.00 O ATOM 733 CB LEU A 47 -3.500 3.724 3.996 1.00 0.00 C ATOM 734 CG LEU A 47 -3.237 2.208 3.908 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.723 1.997 3.801 1.00 0.00 C ATOM 736 CD2 LEU A 47 -3.748 1.431 5.130 1.00 0.00 C ATOM 0 H LEU A 47 -5.002 4.678 2.058 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.502 3.376 4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.045 4.210 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.001 4.116 4.882 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.775 1.830 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.508 0.930 3.737 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.348 2.497 2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.234 2.414 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.531 0.370 5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.252 1.798 6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.825 1.572 5.227 1.00 0.00 H new ATOM 748 N SER A 48 -5.523 5.545 5.931 1.00 0.00 N ATOM 749 CA SER A 48 -5.524 6.772 6.695 1.00 0.00 C ATOM 750 C SER A 48 -4.116 7.355 6.752 1.00 0.00 C ATOM 751 O SER A 48 -3.106 6.663 6.576 1.00 0.00 O ATOM 752 CB SER A 48 -6.087 6.523 8.099 1.00 0.00 C ATOM 753 OG SER A 48 -7.506 6.580 8.076 1.00 0.00 O ATOM 0 H SER A 48 -5.833 4.728 6.457 1.00 0.00 H new ATOM 0 HA SER A 48 -6.169 7.500 6.203 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.761 5.548 8.462 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.697 7.268 8.792 1.00 0.00 H new ATOM 0 HG SER A 48 -7.855 6.418 8.977 1.00 0.00 H new ATOM 759 N GLN A 49 -4.072 8.658 7.013 1.00 0.00 N ATOM 760 CA GLN A 49 -2.865 9.454 6.912 1.00 0.00 C ATOM 761 C GLN A 49 -1.738 8.919 7.794 1.00 0.00 C ATOM 762 O GLN A 49 -0.630 8.719 7.297 1.00 0.00 O ATOM 763 CB GLN A 49 -3.196 10.917 7.216 1.00 0.00 C ATOM 764 CG GLN A 49 -2.035 11.815 6.792 1.00 0.00 C ATOM 765 CD GLN A 49 -2.294 13.266 7.157 1.00 0.00 C ATOM 766 OE1 GLN A 49 -2.779 14.056 6.349 1.00 0.00 O ATOM 767 NE2 GLN A 49 -1.948 13.665 8.361 1.00 0.00 N ATOM 0 H GLN A 49 -4.890 9.194 7.305 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.489 9.386 5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.104 11.210 6.689 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.392 11.040 8.281 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.117 11.476 7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.882 11.731 5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.547 13.001 9.023 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.081 14.639 8.633 1.00 0.00 H new ATOM 776 N GLY A 50 -2.002 8.677 9.082 1.00 0.00 N ATOM 777 CA GLY A 50 -0.989 8.166 9.999 1.00 0.00 C ATOM 778 C GLY A 50 -0.467 6.800 9.565 1.00 0.00 C ATOM 779 O GLY A 50 0.711 6.504 9.772 1.00 0.00 O ATOM 0 H GLY A 50 -2.915 8.829 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.160 8.871 10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.411 8.092 11.001 1.00 0.00 H new ATOM 783 N SER A 51 -1.315 5.985 8.940 1.00 0.00 N ATOM 784 CA SER A 51 -0.958 4.675 8.440 1.00 0.00 C ATOM 785 C SER A 51 0.045 4.852 7.301 1.00 0.00 C ATOM 786 O SER A 51 1.157 4.333 7.384 1.00 0.00 O ATOM 787 CB SER A 51 -2.219 3.912 8.003 1.00 0.00 C ATOM 788 OG SER A 51 -3.372 4.254 8.755 1.00 0.00 O ATOM 0 H SER A 51 -2.290 6.231 8.767 1.00 0.00 H new ATOM 0 HA SER A 51 -0.489 4.076 9.221 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.409 4.112 6.949 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.038 2.841 8.096 1.00 0.00 H new ATOM 0 HG SER A 51 -4.139 3.739 8.430 1.00 0.00 H new ATOM 794 N VAL A 52 -0.327 5.607 6.257 1.00 0.00 N ATOM 795 CA VAL A 52 0.497 5.786 5.067 1.00 0.00 C ATOM 796 C VAL A 52 1.815 6.496 5.381 1.00 0.00 C ATOM 797 O VAL A 52 2.822 6.237 4.712 1.00 0.00 O ATOM 798 CB VAL A 52 -0.318 6.458 3.933 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.218 7.829 3.471 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.356 5.477 2.753 1.00 0.00 C ATOM 0 H VAL A 52 -1.213 6.110 6.221 1.00 0.00 H new ATOM 0 HA VAL A 52 0.788 4.802 4.699 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.311 6.673 4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.418 8.219 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.215 8.523 4.312 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.236 7.715 3.099 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.923 5.917 1.933 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.661 5.268 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.833 4.548 3.067 1.00 0.00 H new ATOM 810 N SER A 53 1.809 7.393 6.368 1.00 0.00 N ATOM 811 CA SER A 53 2.959 8.210 6.682 1.00 0.00 C ATOM 812 C SER A 53 4.103 7.308 7.133 1.00 0.00 C ATOM 813 O SER A 53 5.153 7.345 6.487 1.00 0.00 O ATOM 814 CB SER A 53 2.554 9.271 7.706 1.00 0.00 C ATOM 815 OG SER A 53 3.563 10.254 7.878 1.00 0.00 O ATOM 0 H SER A 53 1.001 7.566 6.967 1.00 0.00 H new ATOM 0 HA SER A 53 3.322 8.751 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.630 9.752 7.384 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.348 8.792 8.663 1.00 0.00 H new ATOM 0 HG SER A 53 3.267 10.915 8.538 1.00 0.00 H new ATOM 821 N ASP A 54 3.899 6.490 8.173 1.00 0.00 N ATOM 822 CA ASP A 54 4.877 5.509 8.649 1.00 0.00 C ATOM 823 C ASP A 54 5.191 4.480 7.564 1.00 0.00 C ATOM 824 O ASP A 54 6.355 4.110 7.423 1.00 0.00 O ATOM 825 CB ASP A 54 4.348 4.819 9.907 1.00 0.00 C ATOM 826 CG ASP A 54 5.266 3.674 10.341 1.00 0.00 C ATOM 827 OD1 ASP A 54 6.265 3.938 11.064 1.00 0.00 O ATOM 828 OD2 ASP A 54 4.909 2.512 10.063 1.00 0.00 O ATOM 0 H ASP A 54 3.035 6.493 8.715 1.00 0.00 H new ATOM 0 HA ASP A 54 5.803 6.030 8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.263 5.546 10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.346 4.433 9.719 1.00 0.00 H new ATOM 833 N MET A 55 4.211 4.099 6.737 1.00 0.00 N ATOM 834 CA MET A 55 4.391 3.188 5.606 1.00 0.00 C ATOM 835 C MET A 55 5.499 3.672 4.660 1.00 0.00 C ATOM 836 O MET A 55 6.518 3.003 4.521 1.00 0.00 O ATOM 837 CB MET A 55 3.045 3.046 4.870 1.00 0.00 C ATOM 838 CG MET A 55 2.494 1.634 4.802 1.00 0.00 C ATOM 839 SD MET A 55 2.378 0.729 6.369 1.00 0.00 S ATOM 840 CE MET A 55 0.585 0.843 6.668 1.00 0.00 C ATOM 0 H MET A 55 3.250 4.424 6.840 1.00 0.00 H new ATOM 0 HA MET A 55 4.708 2.213 5.976 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.310 3.683 5.363 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.163 3.423 3.854 1.00 0.00 H new ATOM 0 HG2 MET A 55 1.499 1.678 4.360 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.120 1.057 4.121 1.00 0.00 H new ATOM 0 HE1 MET A 55 0.338 0.334 7.600 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.294 1.891 6.739 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.048 0.373 5.844 1.00 0.00 H new ATOM 850 N LEU A 56 5.304 4.809 3.985 1.00 0.00 N ATOM 851 CA LEU A 56 6.297 5.346 3.061 1.00 0.00 C ATOM 852 C LEU A 56 7.556 5.833 3.778 1.00 0.00 C ATOM 853 O LEU A 56 8.620 5.869 3.161 1.00 0.00 O ATOM 854 CB LEU A 56 5.705 6.487 2.221 1.00 0.00 C ATOM 855 CG LEU A 56 4.512 6.098 1.328 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.084 7.329 0.527 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.838 4.956 0.359 1.00 0.00 C ATOM 0 H LEU A 56 4.460 5.376 4.065 1.00 0.00 H new ATOM 0 HA LEU A 56 6.584 4.525 2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.389 7.285 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.493 6.896 1.588 1.00 0.00 H new ATOM 0 HG LEU A 56 3.712 5.745 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.239 7.072 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.792 8.125 1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.916 7.668 -0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.958 4.727 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.657 5.256 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.131 4.071 0.925 1.00 0.00 H new ATOM 869 N SER A 57 7.465 6.259 5.038 1.00 0.00 N ATOM 870 CA SER A 57 8.604 6.766 5.784 1.00 0.00 C ATOM 871 C SER A 57 9.553 5.625 6.157 1.00 0.00 C ATOM 872 O SER A 57 10.752 5.726 5.888 1.00 0.00 O ATOM 873 CB SER A 57 8.109 7.550 7.002 1.00 0.00 C ATOM 874 OG SER A 57 9.139 8.304 7.594 1.00 0.00 O ATOM 0 H SER A 57 6.593 6.260 5.567 1.00 0.00 H new ATOM 0 HA SER A 57 9.179 7.453 5.163 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.299 8.215 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.697 6.858 7.737 1.00 0.00 H new ATOM 0 HG SER A 57 8.785 8.792 8.367 1.00 0.00 H new ATOM 880 N ARG A 58 9.046 4.554 6.774 1.00 0.00 N ATOM 881 CA ARG A 58 9.814 3.431 7.301 1.00 0.00 C ATOM 882 C ARG A 58 9.007 2.137 7.108 1.00 0.00 C ATOM 883 O ARG A 58 8.484 1.606 8.096 1.00 0.00 O ATOM 884 CB ARG A 58 10.113 3.660 8.797 1.00 0.00 C ATOM 885 CG ARG A 58 10.975 4.889 9.117 1.00 0.00 C ATOM 886 CD ARG A 58 11.449 4.773 10.572 1.00 0.00 C ATOM 887 NE ARG A 58 12.397 5.823 10.984 1.00 0.00 N ATOM 888 CZ ARG A 58 13.071 5.815 12.149 1.00 0.00 C ATOM 889 NH1 ARG A 58 12.862 4.859 13.052 1.00 0.00 N ATOM 890 NH2 ARG A 58 13.968 6.751 12.423 1.00 0.00 N ATOM 0 H ARG A 58 8.043 4.445 6.925 1.00 0.00 H new ATOM 0 HA ARG A 58 10.761 3.347 6.768 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.166 3.753 9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.613 2.775 9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.829 4.941 8.442 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.400 5.804 8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.580 4.806 11.229 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.919 3.800 10.713 1.00 0.00 H new ATOM 0 HE ARG A 58 12.552 6.604 10.347 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.184 4.120 12.865 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.380 4.865 13.931 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.156 7.491 11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.471 6.731 13.310 1.00 0.00 H new ATOM 904 N PRO A 59 8.904 1.589 5.886 1.00 0.00 N ATOM 905 CA PRO A 59 8.094 0.399 5.653 1.00 0.00 C ATOM 906 C PRO A 59 8.668 -0.791 6.414 1.00 0.00 C ATOM 907 O PRO A 59 9.881 -0.852 6.644 1.00 0.00 O ATOM 908 CB PRO A 59 8.144 0.140 4.150 1.00 0.00 C ATOM 909 CG PRO A 59 9.433 0.834 3.712 1.00 0.00 C ATOM 910 CD PRO A 59 9.561 2.022 4.664 1.00 0.00 C ATOM 0 HA PRO A 59 7.070 0.541 5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.167 -0.927 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.273 0.554 3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.291 0.167 3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.377 1.160 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.606 2.274 4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.085 2.912 4.253 1.00 0.00 H new ATOM 918 N LYS A 60 7.820 -1.760 6.761 1.00 0.00 N ATOM 919 CA LYS A 60 8.281 -3.044 7.283 1.00 0.00 C ATOM 920 C LYS A 60 8.941 -3.872 6.174 1.00 0.00 C ATOM 921 O LYS A 60 8.639 -3.642 5.002 1.00 0.00 O ATOM 922 CB LYS A 60 7.077 -3.807 7.852 1.00 0.00 C ATOM 923 CG LYS A 60 6.586 -3.248 9.196 1.00 0.00 C ATOM 924 CD LYS A 60 7.281 -3.956 10.360 1.00 0.00 C ATOM 925 CE LYS A 60 6.820 -3.388 11.701 1.00 0.00 C ATOM 926 NZ LYS A 60 7.218 -4.284 12.802 1.00 0.00 N ATOM 0 H LYS A 60 6.806 -1.678 6.689 1.00 0.00 H new ATOM 0 HA LYS A 60 9.019 -2.870 8.066 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.260 -3.773 7.131 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.346 -4.856 7.979 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.784 -2.177 9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.507 -3.377 9.277 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.067 -5.024 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.361 -3.844 10.266 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.254 -2.400 11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.737 -3.264 11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.898 -3.885 13.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.784 -5.219 12.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.253 -4.381 12.813 1.00 0.00 H new ATOM 940 N PRO A 61 9.778 -4.869 6.510 1.00 0.00 N ATOM 941 CA PRO A 61 10.260 -5.833 5.531 1.00 0.00 C ATOM 942 C PRO A 61 9.087 -6.709 5.089 1.00 0.00 C ATOM 943 O PRO A 61 8.142 -6.926 5.855 1.00 0.00 O ATOM 944 CB PRO A 61 11.358 -6.631 6.237 1.00 0.00 C ATOM 945 CG PRO A 61 10.993 -6.527 7.712 1.00 0.00 C ATOM 946 CD PRO A 61 10.265 -5.189 7.841 1.00 0.00 C ATOM 0 HA PRO A 61 10.666 -5.372 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.377 -7.668 5.902 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.345 -6.214 6.039 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.356 -7.355 8.021 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.882 -6.556 8.342 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.441 -5.260 8.551 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.937 -4.413 8.208 1.00 0.00 H new ATOM 954 N TRP A 62 9.163 -7.255 3.874 1.00 0.00 N ATOM 955 CA TRP A 62 8.088 -8.041 3.276 1.00 0.00 C ATOM 956 C TRP A 62 7.631 -9.167 4.199 1.00 0.00 C ATOM 957 O TRP A 62 6.438 -9.347 4.451 1.00 0.00 O ATOM 958 CB TRP A 62 8.553 -8.637 1.944 1.00 0.00 C ATOM 959 CG TRP A 62 7.441 -9.233 1.153 1.00 0.00 C ATOM 960 CD1 TRP A 62 7.335 -10.537 0.822 1.00 0.00 C ATOM 961 CD2 TRP A 62 6.247 -8.586 0.624 1.00 0.00 C ATOM 962 NE1 TRP A 62 6.205 -10.732 0.061 1.00 0.00 N ATOM 963 CE2 TRP A 62 5.485 -9.570 -0.062 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.718 -7.276 0.658 1.00 0.00 C ATOM 965 CZ2 TRP A 62 4.272 -9.270 -0.677 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.485 -6.963 0.058 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.759 -7.968 -0.592 1.00 0.00 C ATOM 0 H TRP A 62 9.982 -7.162 3.273 1.00 0.00 H new ATOM 0 HA TRP A 62 7.245 -7.371 3.111 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.035 -7.859 1.353 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.305 -9.402 2.137 1.00 0.00 H new ATOM 0 HD1 TRP A 62 8.031 -11.310 1.111 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.938 -11.623 -0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.274 -6.496 1.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.731 -10.034 -1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.101 -5.954 0.098 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.799 -7.739 -1.030 1.00 0.00 H new ATOM 978 N SER A 63 8.588 -9.900 4.759 1.00 0.00 N ATOM 979 CA SER A 63 8.340 -11.050 5.612 1.00 0.00 C ATOM 980 C SER A 63 7.640 -10.681 6.921 1.00 0.00 C ATOM 981 O SER A 63 6.928 -11.511 7.489 1.00 0.00 O ATOM 982 CB SER A 63 9.680 -11.703 5.908 1.00 0.00 C ATOM 983 OG SER A 63 10.281 -12.066 4.682 1.00 0.00 O ATOM 0 H SER A 63 9.580 -9.704 4.627 1.00 0.00 H new ATOM 0 HA SER A 63 7.669 -11.731 5.089 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.324 -11.015 6.457 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.542 -12.582 6.538 1.00 0.00 H new ATOM 0 HG SER A 63 11.148 -12.488 4.855 1.00 0.00 H new ATOM 989 N LYS A 64 7.801 -9.450 7.413 1.00 0.00 N ATOM 990 CA LYS A 64 7.064 -9.011 8.593 1.00 0.00 C ATOM 991 C LYS A 64 5.609 -8.723 8.266 1.00 0.00 C ATOM 992 O LYS A 64 4.764 -8.946 9.134 1.00 0.00 O ATOM 993 CB LYS A 64 7.719 -7.792 9.256 1.00 0.00 C ATOM 994 CG LYS A 64 8.858 -8.208 10.197 1.00 0.00 C ATOM 995 CD LYS A 64 8.295 -8.767 11.514 1.00 0.00 C ATOM 996 CE LYS A 64 9.290 -9.661 12.263 1.00 0.00 C ATOM 997 NZ LYS A 64 8.594 -10.411 13.331 1.00 0.00 N ATOM 0 H LYS A 64 8.428 -8.750 7.016 1.00 0.00 H new ATOM 0 HA LYS A 64 7.095 -9.834 9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.106 -7.123 8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.969 -7.234 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.480 -8.961 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.498 -7.350 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.004 -7.938 12.159 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.391 -9.338 11.302 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.762 -10.356 11.568 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.085 -9.052 12.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.277 -11.014 13.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.164 -9.742 14.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.851 -11.005 12.910 1.00 0.00 H new ATOM 1011 N LEU A 65 5.297 -8.285 7.049 1.00 0.00 N ATOM 1012 CA LEU A 65 3.923 -8.030 6.656 1.00 0.00 C ATOM 1013 C LEU A 65 3.241 -9.379 6.433 1.00 0.00 C ATOM 1014 O LEU A 65 3.862 -10.348 5.981 1.00 0.00 O ATOM 1015 CB LEU A 65 3.866 -7.195 5.365 1.00 0.00 C ATOM 1016 CG LEU A 65 4.522 -5.804 5.445 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.690 -5.249 4.029 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.679 -4.843 6.292 1.00 0.00 C ATOM 0 H LEU A 65 5.984 -8.100 6.318 1.00 0.00 H new ATOM 0 HA LEU A 65 3.416 -7.465 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.348 -7.759 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.821 -7.069 5.080 1.00 0.00 H new ATOM 0 HG LEU A 65 5.497 -5.901 5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.154 -4.264 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.322 -5.920 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.713 -5.167 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.167 -3.869 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.690 -4.736 5.846 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.580 -5.240 7.302 1.00 0.00 H new ATOM 1030 N THR A 66 1.952 -9.446 6.742 1.00 0.00 N ATOM 1031 CA THR A 66 1.104 -10.599 6.451 1.00 0.00 C ATOM 1032 C THR A 66 0.332 -10.327 5.167 1.00 0.00 C ATOM 1033 O THR A 66 0.361 -9.191 4.711 1.00 0.00 O ATOM 1034 CB THR A 66 0.159 -10.817 7.631 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.600 -9.655 7.903 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.937 -11.212 8.888 1.00 0.00 C ATOM 0 H THR A 66 1.456 -8.688 7.210 1.00 0.00 H new ATOM 0 HA THR A 66 1.700 -11.501 6.311 1.00 0.00 H new ATOM 0 HB THR A 66 -0.517 -11.626 7.355 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.197 -9.824 8.662 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.242 -11.362 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.484 -12.136 8.702 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.640 -10.420 9.145 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.401 -11.287 4.594 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.257 -10.994 3.440 1.00 0.00 C ATOM 1046 C GLN A 67 -2.148 -9.775 3.707 1.00 0.00 C ATOM 1047 O GLN A 67 -2.135 -8.823 2.927 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.087 -12.212 3.026 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.295 -13.165 2.120 1.00 0.00 C ATOM 1050 CD GLN A 67 -2.225 -14.103 1.368 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -2.208 -15.313 1.571 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -3.051 -13.571 0.483 1.00 0.00 N ATOM 0 H GLN A 67 -0.420 -12.259 4.904 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.603 -10.751 2.603 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.415 -12.747 3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.985 -11.879 2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.703 -12.588 1.410 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.595 -13.746 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.051 -12.563 0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.688 -14.169 -0.044 1.00 0.00 H new ATOM 1061 N LYS A 68 -2.832 -9.738 4.853 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.638 -8.592 5.268 1.00 0.00 C ATOM 1063 C LYS A 68 -2.820 -7.299 5.309 1.00 0.00 C ATOM 1064 O LYS A 68 -3.290 -6.270 4.836 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.284 -8.945 6.611 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.288 -7.909 7.124 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.090 -8.546 8.265 1.00 0.00 C ATOM 1068 CE LYS A 68 -6.994 -7.528 8.959 1.00 0.00 C ATOM 1069 NZ LYS A 68 -7.804 -8.177 10.008 1.00 0.00 N ATOM 0 H LYS A 68 -2.841 -10.508 5.522 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.421 -8.392 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.789 -9.906 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.498 -9.071 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.769 -7.017 7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.954 -7.594 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.696 -9.362 7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.405 -8.980 8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.387 -6.736 9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.649 -7.057 8.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.411 -7.468 10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.398 -8.916 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.175 -8.605 10.717 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.590 -7.331 5.830 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.702 -6.169 5.836 1.00 0.00 C ATOM 1085 C GLY A 69 -0.119 -5.813 4.468 1.00 0.00 C ATOM 1086 O GLY A 69 0.339 -4.693 4.270 1.00 0.00 O ATOM 0 H GLY A 69 -1.184 -8.163 6.258 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.252 -5.309 6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.118 -6.357 6.529 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.090 -6.751 3.521 1.00 0.00 N ATOM 1091 CA ARG A 70 0.484 -6.564 2.194 1.00 0.00 C ATOM 1092 C ARG A 70 -0.523 -5.938 1.247 1.00 0.00 C ATOM 1093 O ARG A 70 -0.090 -5.292 0.303 1.00 0.00 O ATOM 1094 CB ARG A 70 0.959 -7.913 1.637 1.00 0.00 C ATOM 1095 CG ARG A 70 2.212 -8.422 2.362 1.00 0.00 C ATOM 1096 CD ARG A 70 2.430 -9.914 2.118 1.00 0.00 C ATOM 1097 NE ARG A 70 3.580 -10.406 2.889 1.00 0.00 N ATOM 1098 CZ ARG A 70 4.278 -11.518 2.643 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.929 -12.368 1.686 1.00 0.00 N ATOM 1100 NH2 ARG A 70 5.345 -11.764 3.391 1.00 0.00 N ATOM 0 H ARG A 70 -0.476 -7.685 3.662 1.00 0.00 H new ATOM 0 HA ARG A 70 1.334 -5.888 2.281 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.160 -8.648 1.734 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.171 -7.812 0.573 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.084 -7.865 2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.115 -8.237 3.432 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.534 -10.468 2.399 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.595 -10.093 1.056 1.00 0.00 H new ATOM 0 HE ARG A 70 3.873 -9.845 3.689 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.106 -12.181 1.113 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.483 -13.209 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.612 -11.112 4.129 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.899 -12.605 3.228 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.828 -6.073 1.493 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.875 -5.546 0.618 1.00 0.00 C ATOM 1116 C GLU A 71 -2.648 -4.093 0.156 1.00 0.00 C ATOM 1117 O GLU A 71 -2.752 -3.869 -1.053 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.266 -5.737 1.241 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.737 -7.192 1.118 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.243 -7.339 1.324 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -7.008 -6.843 0.464 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.654 -8.022 2.293 1.00 0.00 O ATOM 0 H GLU A 71 -2.190 -6.557 2.315 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.820 -6.140 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.239 -5.449 2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.981 -5.078 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.469 -7.575 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.212 -7.804 1.852 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.328 -3.109 1.023 1.00 0.00 N ATOM 1130 CA PRO A 72 -2.046 -1.756 0.555 1.00 0.00 C ATOM 1131 C PRO A 72 -0.746 -1.712 -0.262 1.00 0.00 C ATOM 1132 O PRO A 72 -0.715 -1.119 -1.340 1.00 0.00 O ATOM 1133 CB PRO A 72 -2.000 -0.883 1.812 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.669 -1.861 2.942 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.302 -3.173 2.481 1.00 0.00 C ATOM 0 HA PRO A 72 -2.811 -1.388 -0.128 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.243 -0.103 1.727 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.954 -0.384 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.593 -1.963 3.081 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.084 -1.529 3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.722 -4.029 2.825 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.308 -3.286 2.886 1.00 0.00 H new ATOM 1143 N PHE A 73 0.319 -2.378 0.193 1.00 0.00 N ATOM 1144 CA PHE A 73 1.585 -2.435 -0.529 1.00 0.00 C ATOM 1145 C PHE A 73 1.425 -3.061 -1.916 1.00 0.00 C ATOM 1146 O PHE A 73 2.157 -2.682 -2.820 1.00 0.00 O ATOM 1147 CB PHE A 73 2.636 -3.205 0.284 1.00 0.00 C ATOM 1148 CG PHE A 73 3.190 -2.439 1.471 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.170 -1.454 1.260 1.00 0.00 C ATOM 1150 CD2 PHE A 73 2.755 -2.708 2.782 1.00 0.00 C ATOM 1151 CE1 PHE A 73 4.729 -0.758 2.346 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.326 -2.023 3.873 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.331 -1.060 3.656 1.00 0.00 C ATOM 0 H PHE A 73 0.324 -2.892 1.074 1.00 0.00 H new ATOM 0 HA PHE A 73 1.924 -1.409 -0.668 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.193 -4.135 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.460 -3.477 -0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.496 -1.230 0.255 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.981 -3.442 2.952 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.467 0.011 2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.992 -2.237 4.878 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.792 -0.558 4.493 1.00 0.00 H new ATOM 1163 N ILE A 74 0.511 -4.011 -2.105 1.00 0.00 N ATOM 1164 CA ILE A 74 0.193 -4.626 -3.391 1.00 0.00 C ATOM 1165 C ILE A 74 -0.358 -3.562 -4.337 1.00 0.00 C ATOM 1166 O ILE A 74 0.077 -3.469 -5.483 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.778 -5.805 -3.140 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.049 -7.033 -2.705 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.678 -6.153 -4.338 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.753 -7.992 -1.828 1.00 0.00 C ATOM 0 H ILE A 74 -0.048 -4.387 -1.339 1.00 0.00 H new ATOM 0 HA ILE A 74 1.078 -5.036 -3.877 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.467 -5.495 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.402 -7.563 -3.590 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.932 -6.699 -2.160 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.326 -6.989 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.289 -5.288 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.058 -6.428 -5.191 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.127 -8.839 -1.548 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.083 -7.473 -0.928 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.622 -8.350 -2.380 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.294 -2.727 -3.879 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.787 -1.639 -4.688 1.00 0.00 C ATOM 1184 C ARG A 75 -0.644 -0.676 -4.999 1.00 0.00 C ATOM 1185 O ARG A 75 -0.543 -0.230 -6.135 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.920 -0.946 -3.944 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.140 -1.836 -3.657 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.250 -0.976 -3.032 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.303 -1.751 -2.362 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.487 -1.238 -1.993 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -7.749 0.060 -2.135 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -8.421 -2.019 -1.468 1.00 0.00 N ATOM 0 H ARG A 75 -1.717 -2.793 -2.953 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.175 -2.011 -5.636 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.535 -0.564 -2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.245 -0.084 -4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.495 -2.297 -4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.865 -2.645 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.802 -0.292 -2.311 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.704 -0.365 -3.812 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.124 -2.736 -2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.044 0.682 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.655 0.432 -1.849 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.242 -3.015 -1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.319 -1.624 -1.189 1.00 0.00 H new ATOM 1206 N MET A 76 0.254 -0.399 -4.042 1.00 0.00 N ATOM 1207 CA MET A 76 1.457 0.394 -4.274 1.00 0.00 C ATOM 1208 C MET A 76 2.286 -0.171 -5.441 1.00 0.00 C ATOM 1209 O MET A 76 2.796 0.603 -6.250 1.00 0.00 O ATOM 1210 CB MET A 76 2.280 0.428 -2.970 1.00 0.00 C ATOM 1211 CG MET A 76 2.826 1.809 -2.646 1.00 0.00 C ATOM 1212 SD MET A 76 4.143 1.828 -1.393 1.00 0.00 S ATOM 1213 CE MET A 76 3.132 1.717 0.098 1.00 0.00 C ATOM 0 H MET A 76 0.159 -0.724 -3.080 1.00 0.00 H new ATOM 0 HA MET A 76 1.174 1.408 -4.555 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.655 0.088 -2.144 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.110 -0.274 -3.052 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.208 2.258 -3.563 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.005 2.438 -2.301 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.778 1.716 0.976 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.457 2.572 0.145 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.549 0.796 0.075 1.00 0.00 H new ATOM 1223 N GLN A 77 2.437 -1.500 -5.511 1.00 0.00 N ATOM 1224 CA GLN A 77 3.220 -2.197 -6.533 1.00 0.00 C ATOM 1225 C GLN A 77 2.559 -2.102 -7.893 1.00 0.00 C ATOM 1226 O GLN A 77 3.250 -1.875 -8.884 1.00 0.00 O ATOM 1227 CB GLN A 77 3.350 -3.684 -6.191 1.00 0.00 C ATOM 1228 CG GLN A 77 4.292 -3.918 -5.019 1.00 0.00 C ATOM 1229 CD GLN A 77 4.007 -5.236 -4.306 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.087 -6.317 -4.872 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.677 -5.185 -3.024 1.00 0.00 N ATOM 0 H GLN A 77 2.005 -2.135 -4.839 1.00 0.00 H new ATOM 0 HA GLN A 77 4.199 -1.719 -6.559 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.366 -4.089 -5.952 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.715 -4.226 -7.063 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.322 -3.915 -5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.199 -3.095 -4.310 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.610 -4.284 -2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.490 -6.046 -2.511 1.00 0.00 H new ATOM 1240 N LEU A 78 1.247 -2.323 -7.951 1.00 0.00 N ATOM 1241 CA LEU A 78 0.514 -2.269 -9.203 1.00 0.00 C ATOM 1242 C LEU A 78 0.540 -0.848 -9.717 1.00 0.00 C ATOM 1243 O LEU A 78 0.924 -0.644 -10.863 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.910 -2.818 -9.007 1.00 0.00 C ATOM 1245 CG LEU A 78 -0.892 -4.360 -8.972 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.034 -4.958 -8.152 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.914 -4.962 -10.382 1.00 0.00 C ATOM 0 H LEU A 78 0.672 -2.542 -7.138 1.00 0.00 H new ATOM 0 HA LEU A 78 0.982 -2.903 -9.957 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.331 -2.432 -8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.554 -2.474 -9.816 1.00 0.00 H new ATOM 0 HG LEU A 78 0.045 -4.621 -8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.963 -6.046 -8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.966 -4.605 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.989 -4.650 -8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.900 -6.050 -10.313 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.818 -4.642 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.039 -4.622 -10.936 1.00 0.00 H new ATOM 1259 N TRP A 79 0.247 0.133 -8.861 1.00 0.00 N ATOM 1260 CA TRP A 79 0.194 1.541 -9.223 1.00 0.00 C ATOM 1261 C TRP A 79 1.435 2.026 -9.969 1.00 0.00 C ATOM 1262 O TRP A 79 1.307 2.854 -10.870 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.018 2.381 -7.956 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.049 3.851 -8.208 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.098 4.591 -8.639 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.088 4.751 -8.143 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.675 5.888 -8.857 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.656 6.046 -8.545 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.449 4.580 -7.812 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.527 7.136 -8.598 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.330 5.671 -7.852 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.867 6.938 -8.243 1.00 0.00 C ATOM 0 H TRP A 79 0.036 -0.038 -7.878 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.642 1.662 -9.912 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -0.955 2.082 -7.486 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.780 2.160 -7.247 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.103 4.226 -8.788 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.275 6.636 -9.206 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.814 3.605 -7.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.175 8.110 -8.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.367 5.536 -7.581 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.554 7.771 -8.270 1.00 0.00 H new ATOM 1283 N LEU A 80 2.611 1.491 -9.634 1.00 0.00 N ATOM 1284 CA LEU A 80 3.855 1.834 -10.302 1.00 0.00 C ATOM 1285 C LEU A 80 3.750 1.636 -11.817 1.00 0.00 C ATOM 1286 O LEU A 80 4.145 2.531 -12.558 1.00 0.00 O ATOM 1287 CB LEU A 80 5.001 1.017 -9.686 1.00 0.00 C ATOM 1288 CG LEU A 80 5.790 1.804 -8.623 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.431 0.824 -7.639 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.878 2.674 -9.256 1.00 0.00 C ATOM 0 H LEU A 80 2.721 0.805 -8.887 1.00 0.00 H new ATOM 0 HA LEU A 80 4.066 2.893 -10.150 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.594 0.112 -9.234 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.681 0.700 -10.477 1.00 0.00 H new ATOM 0 HG LEU A 80 5.093 2.462 -8.103 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.990 1.379 -6.885 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.653 0.235 -7.153 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.107 0.159 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.413 3.214 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.577 2.042 -9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.420 3.387 -9.942 1.00 0.00 H new ATOM 1302 N SER A 81 3.240 0.496 -12.285 1.00 0.00 N ATOM 1303 CA SER A 81 3.122 0.205 -13.711 1.00 0.00 C ATOM 1304 C SER A 81 1.720 0.563 -14.241 1.00 0.00 C ATOM 1305 O SER A 81 1.580 0.962 -15.401 1.00 0.00 O ATOM 1306 CB SER A 81 3.595 -1.250 -13.909 1.00 0.00 C ATOM 1307 OG SER A 81 2.787 -2.061 -14.735 1.00 0.00 O ATOM 0 H SER A 81 2.897 -0.252 -11.683 1.00 0.00 H new ATOM 0 HA SER A 81 3.763 0.833 -14.330 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.601 -1.229 -14.328 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.667 -1.723 -12.930 1.00 0.00 H new ATOM 0 HG SER A 81 3.176 -2.958 -14.794 1.00 0.00 H new ATOM 1313 N ASP A 82 0.693 0.471 -13.394 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.729 0.495 -13.745 1.00 0.00 C ATOM 1315 C ASP A 82 -1.376 1.881 -13.634 1.00 0.00 C ATOM 1316 O ASP A 82 -2.322 2.199 -14.351 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.447 -0.471 -12.795 1.00 0.00 C ATOM 1318 CG ASP A 82 -2.886 -0.734 -13.199 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.099 -1.652 -14.028 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.799 -0.134 -12.607 1.00 0.00 O ATOM 0 H ASP A 82 0.839 0.372 -12.389 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.820 0.206 -14.792 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.904 -1.416 -12.767 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.427 -0.062 -11.785 1.00 0.00 H new ATOM 1325 N GLN A 83 -0.896 2.715 -12.707 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.455 4.006 -12.287 1.00 0.00 C ATOM 1327 C GLN A 83 -2.919 3.955 -11.782 1.00 0.00 C ATOM 1328 O GLN A 83 -3.442 4.982 -11.335 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.240 5.062 -13.390 1.00 0.00 C ATOM 1330 CG GLN A 83 0.245 5.270 -13.739 1.00 0.00 C ATOM 1331 CD GLN A 83 0.419 6.164 -14.968 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -0.274 7.167 -15.148 1.00 0.00 O ATOM 1333 NE2 GLN A 83 1.379 5.876 -15.835 1.00 0.00 N ATOM 0 H GLN A 83 -0.045 2.490 -12.192 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.897 4.305 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.780 4.758 -14.287 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.668 6.011 -13.066 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.759 5.717 -12.888 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.714 4.303 -13.923 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.959 5.049 -15.697 1.00 0.00 H new ATOM 0 HE22 GLN A 83 1.538 6.482 -16.640 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.556 2.776 -11.751 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.942 2.504 -11.372 1.00 0.00 C ATOM 1344 C LEU A 84 -5.921 3.441 -12.050 1.00 0.00 C ATOM 1345 O LEU A 84 -6.426 4.400 -11.459 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.135 2.414 -9.861 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.448 1.166 -9.277 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.147 1.546 -8.600 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -5.326 0.499 -8.239 1.00 0.00 C ATOM 0 H LEU A 84 -3.070 1.918 -12.013 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.176 1.509 -11.751 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.730 3.308 -9.388 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.200 2.386 -9.630 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.264 0.482 -10.106 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.674 0.652 -8.193 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.480 2.010 -9.327 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.349 2.250 -7.792 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.817 -0.380 -7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.527 1.199 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.267 0.197 -8.698 1.00 0.00 H new ATOM 1361 N GLY A 85 -6.212 3.141 -13.308 1.00 0.00 N ATOM 1362 CA GLY A 85 -7.086 3.898 -14.139 1.00 0.00 C ATOM 1363 C GLY A 85 -6.951 3.374 -15.556 1.00 0.00 C ATOM 1364 O GLY A 85 -6.034 2.619 -15.877 1.00 0.00 O ATOM 0 H GLY A 85 -5.820 2.326 -13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.116 3.805 -13.794 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.830 4.957 -14.098 1.00 0.00 H new ATOM 1368 N GLN A 86 -7.873 3.798 -16.395 1.00 0.00 N ATOM 1369 CA GLN A 86 -7.940 3.440 -17.803 1.00 0.00 C ATOM 1370 C GLN A 86 -6.953 4.246 -18.649 1.00 0.00 C ATOM 1371 O GLN A 86 -6.112 3.644 -19.318 1.00 0.00 O ATOM 1372 CB GLN A 86 -9.391 3.585 -18.299 1.00 0.00 C ATOM 1373 CG GLN A 86 -10.009 2.192 -18.490 1.00 0.00 C ATOM 1374 CD GLN A 86 -11.531 2.196 -18.602 1.00 0.00 C ATOM 1375 OE1 GLN A 86 -12.198 3.213 -18.389 1.00 0.00 O ATOM 1376 NE2 GLN A 86 -12.115 1.039 -18.850 1.00 0.00 N ATOM 0 H GLN A 86 -8.625 4.424 -16.108 1.00 0.00 H new ATOM 0 HA GLN A 86 -7.639 2.398 -17.915 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.976 4.159 -17.581 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.412 4.136 -19.239 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -9.590 1.741 -19.390 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.719 1.559 -17.651 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.549 0.209 -19.024 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.133 0.975 -18.868 1.00 0.00 H new ATOM 1385 N ALA A 87 -7.112 5.575 -18.726 1.00 0.00 N ATOM 1386 CA ALA A 87 -6.317 6.438 -19.599 1.00 0.00 C ATOM 1387 C ALA A 87 -6.494 7.927 -19.256 1.00 0.00 C ATOM 1388 O ALA A 87 -6.909 8.731 -20.099 1.00 0.00 O ATOM 1389 CB ALA A 87 -6.686 6.159 -21.065 1.00 0.00 C ATOM 0 H ALA A 87 -7.805 6.083 -18.176 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.263 6.208 -19.442 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.095 6.801 -21.718 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.480 5.115 -21.300 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.746 6.363 -21.219 1.00 0.00 H new ATOM 1395 N VAL A 88 -6.171 8.310 -18.025 1.00 0.00 N ATOM 1396 CA VAL A 88 -5.931 9.704 -17.657 1.00 0.00 C ATOM 1397 C VAL A 88 -4.940 9.719 -16.489 1.00 0.00 C ATOM 1398 O VAL A 88 -4.856 8.750 -15.727 1.00 0.00 O ATOM 1399 CB VAL A 88 -7.268 10.434 -17.374 1.00 0.00 C ATOM 1400 CG1 VAL A 88 -8.075 9.831 -16.225 1.00 0.00 C ATOM 1401 CG2 VAL A 88 -7.110 11.939 -17.139 1.00 0.00 C ATOM 0 H VAL A 88 -6.067 7.658 -17.248 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.481 10.263 -18.477 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.828 10.285 -18.297 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.996 10.398 -16.090 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.318 8.794 -16.456 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.487 9.870 -15.308 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.087 12.382 -16.947 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -6.461 12.107 -16.280 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.669 12.401 -18.022 1.00 0.00 H new ATOM 1411 N GLY A 89 -4.180 10.806 -16.345 1.00 0.00 N ATOM 1412 CA GLY A 89 -3.204 10.977 -15.278 1.00 0.00 C ATOM 1413 C GLY A 89 -1.815 11.326 -15.798 1.00 0.00 C ATOM 1414 O GLY A 89 -0.835 10.874 -15.201 1.00 0.00 O ATOM 0 H GLY A 89 -4.230 11.603 -16.979 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.543 11.764 -14.605 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.148 10.059 -14.693 1.00 0.00 H new ATOM 1418 N GLN A 90 -1.742 12.113 -16.877 1.00 0.00 N ATOM 1419 CA GLN A 90 -0.574 12.759 -17.464 1.00 0.00 C ATOM 1420 C GLN A 90 0.137 11.790 -18.415 1.00 0.00 C ATOM 1421 O GLN A 90 0.695 10.785 -17.968 1.00 0.00 O ATOM 1422 CB GLN A 90 0.347 13.344 -16.371 1.00 0.00 C ATOM 1423 CG GLN A 90 1.221 14.512 -16.844 1.00 0.00 C ATOM 1424 CD GLN A 90 0.478 15.848 -16.900 1.00 0.00 C ATOM 1425 OE1 GLN A 90 -0.708 15.921 -17.231 1.00 0.00 O ATOM 1426 NE2 GLN A 90 1.149 16.937 -16.570 1.00 0.00 N ATOM 0 H GLN A 90 -2.584 12.332 -17.409 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.891 13.612 -18.064 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.267 13.680 -15.536 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.993 12.551 -15.993 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.076 14.609 -16.175 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.615 14.283 -17.834 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.130 16.869 -16.297 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.687 17.846 -16.588 1.00 0.00 H new ATOM 1435 N GLN A 91 0.123 12.103 -19.717 1.00 0.00 N ATOM 1436 CA GLN A 91 0.536 11.267 -20.849 1.00 0.00 C ATOM 1437 C GLN A 91 -0.362 10.028 -21.037 1.00 0.00 C ATOM 1438 O GLN A 91 -1.099 9.632 -20.133 1.00 0.00 O ATOM 1439 CB GLN A 91 2.043 10.908 -20.802 1.00 0.00 C ATOM 1440 CG GLN A 91 2.945 11.984 -21.425 1.00 0.00 C ATOM 1441 CD GLN A 91 3.451 12.978 -20.391 1.00 0.00 C ATOM 1442 OE1 GLN A 91 4.481 12.752 -19.763 1.00 0.00 O ATOM 1443 NE2 GLN A 91 2.772 14.095 -20.198 1.00 0.00 N ATOM 0 H GLN A 91 -0.203 13.018 -20.029 1.00 0.00 H new ATOM 0 HA GLN A 91 0.394 11.877 -21.741 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.340 10.751 -19.765 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.201 9.965 -21.325 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.794 11.506 -21.913 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.391 12.517 -22.198 1.00 0.00 H new ATOM 0 HE21 GLN A 91 1.918 14.270 -20.727 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.102 14.782 -19.520 1.00 0.00 H new ATOM 1452 N PRO A 92 -0.312 9.379 -22.218 1.00 0.00 N ATOM 1453 CA PRO A 92 -0.987 8.105 -22.484 1.00 0.00 C ATOM 1454 C PRO A 92 -0.275 6.886 -21.852 1.00 0.00 C ATOM 1455 O PRO A 92 -0.533 5.749 -22.262 1.00 0.00 O ATOM 1456 CB PRO A 92 -1.051 8.020 -24.013 1.00 0.00 C ATOM 1457 CG PRO A 92 0.223 8.724 -24.454 1.00 0.00 C ATOM 1458 CD PRO A 92 0.306 9.868 -23.450 1.00 0.00 C ATOM 0 HA PRO A 92 -1.976 8.076 -22.026 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.080 6.986 -24.358 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.940 8.512 -24.407 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.092 8.069 -24.401 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.158 9.084 -25.481 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.342 10.158 -23.276 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.214 10.750 -23.822 1.00 0.00 H new ATOM 1466 N GLY A 93 0.618 7.097 -20.879 1.00 0.00 N ATOM 1467 CA GLY A 93 1.356 6.038 -20.211 1.00 0.00 C ATOM 1468 C GLY A 93 2.610 5.666 -20.989 1.00 0.00 C ATOM 1469 O GLY A 93 2.505 5.117 -22.089 1.00 0.00 O ATOM 0 H GLY A 93 0.847 8.029 -20.533 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.630 6.360 -19.206 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.719 5.160 -20.102 1.00 0.00 H new ATOM 1473 N ALA A 94 3.793 5.897 -20.410 1.00 0.00 N ATOM 1474 CA ALA A 94 5.058 5.368 -20.912 1.00 0.00 C ATOM 1475 C ALA A 94 5.821 4.714 -19.759 1.00 0.00 C ATOM 1476 O ALA A 94 6.258 5.400 -18.831 1.00 0.00 O ATOM 1477 CB ALA A 94 5.887 6.464 -21.591 1.00 0.00 C ATOM 0 H ALA A 94 3.896 6.464 -19.569 1.00 0.00 H new ATOM 0 HA ALA A 94 4.857 4.613 -21.672 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.823 6.040 -21.954 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.326 6.878 -22.429 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.102 7.255 -20.873 1.00 0.00 H new ATOM 1483 N SER A 95 5.992 3.392 -19.812 1.00 0.00 N ATOM 1484 CA SER A 95 6.671 2.598 -18.793 1.00 0.00 C ATOM 1485 C SER A 95 7.498 1.510 -19.482 1.00 0.00 C ATOM 1486 O SER A 95 7.350 0.322 -19.190 1.00 0.00 O ATOM 1487 CB SER A 95 5.634 2.060 -17.790 1.00 0.00 C ATOM 1488 OG SER A 95 6.230 1.287 -16.764 1.00 0.00 O ATOM 0 H SER A 95 5.650 2.829 -20.591 1.00 0.00 H new ATOM 0 HA SER A 95 7.370 3.201 -18.213 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.094 2.896 -17.345 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.900 1.453 -18.320 1.00 0.00 H new ATOM 0 HG SER A 95 6.804 0.600 -17.163 1.00 0.00 H new ATOM 1494 N SER A 96 8.373 1.899 -20.408 1.00 0.00 N ATOM 1495 CA SER A 96 9.439 1.023 -20.879 1.00 0.00 C ATOM 1496 C SER A 96 10.517 0.899 -19.786 1.00 0.00 C ATOM 1497 O SER A 96 10.541 1.683 -18.828 1.00 0.00 O ATOM 1498 CB SER A 96 10.010 1.605 -22.179 1.00 0.00 C ATOM 1499 OG SER A 96 10.562 0.598 -22.996 1.00 0.00 O ATOM 0 H SER A 96 8.362 2.820 -20.847 1.00 0.00 H new ATOM 0 HA SER A 96 9.060 0.022 -21.085 1.00 0.00 H new ATOM 0 HB2 SER A 96 9.222 2.125 -22.723 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.776 2.344 -21.943 1.00 0.00 H new ATOM 0 HG SER A 96 10.916 1.000 -23.817 1.00 0.00 H new ATOM 1505 N GLY A 97 11.433 -0.053 -19.952 1.00 0.00 N ATOM 1506 CA GLY A 97 12.646 -0.208 -19.168 1.00 0.00 C ATOM 1507 C GLY A 97 13.113 -1.668 -19.234 1.00 0.00 C ATOM 1508 O GLY A 97 12.266 -2.567 -19.245 1.00 0.00 O ATOM 0 H GLY A 97 11.340 -0.769 -20.673 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.425 0.452 -19.549 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.462 0.080 -18.133 1.00 0.00 H new ATOM 1512 N PRO A 98 14.428 -1.942 -19.280 1.00 0.00 N ATOM 1513 CA PRO A 98 14.956 -3.294 -19.157 1.00 0.00 C ATOM 1514 C PRO A 98 14.900 -3.740 -17.685 1.00 0.00 C ATOM 1515 O PRO A 98 15.492 -3.082 -16.819 1.00 0.00 O ATOM 1516 CB PRO A 98 16.387 -3.186 -19.695 1.00 0.00 C ATOM 1517 CG PRO A 98 16.813 -1.750 -19.382 1.00 0.00 C ATOM 1518 CD PRO A 98 15.501 -0.970 -19.453 1.00 0.00 C ATOM 0 HA PRO A 98 14.390 -4.044 -19.709 1.00 0.00 H new ATOM 0 HB2 PRO A 98 17.046 -3.908 -19.214 1.00 0.00 H new ATOM 0 HB3 PRO A 98 16.423 -3.385 -20.766 1.00 0.00 H new ATOM 0 HG2 PRO A 98 17.274 -1.673 -18.397 1.00 0.00 H new ATOM 0 HG3 PRO A 98 17.541 -1.380 -20.104 1.00 0.00 H new ATOM 0 HD2 PRO A 98 15.461 -0.207 -18.676 1.00 0.00 H new ATOM 0 HD3 PRO A 98 15.407 -0.456 -20.409 1.00 0.00 H new ATOM 1526 N SER A 99 14.226 -4.849 -17.384 1.00 0.00 N ATOM 1527 CA SER A 99 14.064 -5.392 -16.037 1.00 0.00 C ATOM 1528 C SER A 99 14.504 -6.863 -15.970 1.00 0.00 C ATOM 1529 O SER A 99 14.533 -7.559 -16.994 1.00 0.00 O ATOM 1530 CB SER A 99 12.607 -5.204 -15.601 1.00 0.00 C ATOM 1531 OG SER A 99 11.715 -5.868 -16.483 1.00 0.00 O ATOM 0 H SER A 99 13.762 -5.413 -18.096 1.00 0.00 H new ATOM 0 HA SER A 99 14.710 -4.852 -15.345 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.475 -5.589 -14.590 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.368 -4.141 -15.571 1.00 0.00 H new ATOM 0 HG SER A 99 10.793 -5.732 -16.179 1.00 0.00 H new ATOM 1537 N SER A 100 14.826 -7.322 -14.760 1.00 0.00 N ATOM 1538 CA SER A 100 15.319 -8.648 -14.397 1.00 0.00 C ATOM 1539 C SER A 100 14.153 -9.546 -13.936 1.00 0.00 C ATOM 1540 O SER A 100 12.991 -9.255 -14.236 1.00 0.00 O ATOM 1541 CB SER A 100 16.390 -8.481 -13.303 1.00 0.00 C ATOM 1542 OG SER A 100 17.367 -7.520 -13.688 1.00 0.00 O ATOM 0 H SER A 100 14.741 -6.722 -13.939 1.00 0.00 H new ATOM 0 HA SER A 100 15.770 -9.140 -15.259 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.918 -8.171 -12.371 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.873 -9.439 -13.112 1.00 0.00 H new ATOM 0 HG SER A 100 18.035 -7.430 -12.977 1.00 0.00 H new ATOM 1548 N GLY A 101 14.441 -10.656 -13.253 1.00 0.00 N ATOM 1549 CA GLY A 101 13.470 -11.410 -12.469 1.00 0.00 C ATOM 1550 C GLY A 101 13.730 -11.116 -11.001 1.00 0.00 C ATOM 1551 O GLY A 101 12.751 -11.124 -10.222 1.00 0.00 O ATOM 0 H GLY A 101 15.377 -11.061 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 101 12.454 -11.124 -12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.565 -12.478 -12.668 1.00 0.00 H new TER 1555 GLY A 101