USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 788 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 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -2.53! C(o=-2.5!,f=-2.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0648 USER MOD Single : A 26 SER OG : rot -36:sc= 0.319 USER MOD Single : A 31 HIS :FLIP no HE2:sc= -2.01 F(o=-4!,f=-2) USER MOD Single : A 33 LYS NZ :NH3+ -95:sc= -0.0195 (180deg=-0.201) USER MOD Single : A 35 ASN :FLIP amide:sc=-0.00801 F(o=-3.8!,f=-0.008) USER MOD Single : A 38 MET CE :methyl 165:sc= -2.18 (180deg=-2.78!) USER MOD Single : A 45 HIS : no HD1:sc=-0.00243 X(o=-0.0024,f=-0.1) USER MOD Single : A 47 SER OG : rot 25:sc= 0.34 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= -0.284 (180deg=-1.56!) USER MOD Single : A 55 ASN : amide:sc= -0.0272 X(o=-0.027,f=0.3) USER MOD Single : A 64 ASN :FLIP amide:sc= 0.589 F(o=-0.54,f=0.59) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.92 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ -163:sc= 0.0748 (180deg=0.0412) USER MOD Single : A 86 TYR OH : rot 37:sc= -0.567 USER MOD Single : A 88 GLN :FLIP amide:sc= -2.63! C(o=-5.3!,f=-2.6!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 1.260 -0.219 -0.012 1.00 54.54 N ATOM 2 CA TYR A 1 2.217 -0.050 -1.099 1.00 61.01 C ATOM 3 C TYR A 1 3.292 -1.131 -1.050 1.00 63.34 C ATOM 4 O TYR A 1 3.865 -1.404 0.004 1.00 65.13 O ATOM 5 CB TYR A 1 2.865 1.333 -1.026 1.00 5.43 C ATOM 6 CG TYR A 1 3.276 1.882 -2.373 1.00 51.15 C ATOM 7 CD1 TYR A 1 4.269 1.265 -3.124 1.00 4.23 C ATOM 8 CD2 TYR A 1 2.669 3.017 -2.897 1.00 42.22 C ATOM 9 CE1 TYR A 1 4.648 1.764 -4.355 1.00 71.31 C ATOM 10 CE2 TYR A 1 3.040 3.522 -4.129 1.00 23.25 C ATOM 11 CZ TYR A 1 4.030 2.892 -4.853 1.00 64.13 C ATOM 12 OH TYR A 1 4.404 3.391 -6.080 1.00 73.33 O ATOM 0 H1 TYR A 1 0.538 0.528 -0.066 1.00 54.54 H new ATOM 0 H2 TYR A 1 0.802 -1.149 -0.094 1.00 54.54 H new ATOM 0 H3 TYR A 1 1.756 -0.156 0.900 1.00 54.54 H new ATOM 0 HA TYR A 1 1.678 -0.141 -2.042 1.00 61.01 H new ATOM 0 HB2 TYR A 1 2.167 2.027 -0.558 1.00 5.43 H new ATOM 0 HB3 TYR A 1 3.743 1.280 -0.382 1.00 5.43 H new ATOM 0 HD1 TYR A 1 4.753 0.380 -2.738 1.00 4.23 H new ATOM 0 HD2 TYR A 1 1.894 3.513 -2.332 1.00 42.22 H new ATOM 0 HE1 TYR A 1 5.424 1.274 -4.924 1.00 71.31 H new ATOM 0 HE2 TYR A 1 2.557 4.405 -4.522 1.00 23.25 H new ATOM 0 HH TYR A 1 3.872 4.188 -6.285 1.00 73.33 H new ATOM 22 N GLU A 2 3.560 -1.743 -2.200 1.00 50.31 N ATOM 23 CA GLU A 2 4.566 -2.794 -2.289 1.00 62.40 C ATOM 24 C GLU A 2 5.335 -2.702 -3.604 1.00 71.00 C ATOM 25 O GLU A 2 5.144 -3.517 -4.506 1.00 35.34 O ATOM 26 CB GLU A 2 3.910 -4.171 -2.165 1.00 54.10 C ATOM 27 CG GLU A 2 3.389 -4.473 -0.770 1.00 60.50 C ATOM 28 CD GLU A 2 2.512 -5.710 -0.730 1.00 25.21 C ATOM 29 OE1 GLU A 2 2.984 -6.785 -1.158 1.00 11.33 O ATOM 30 OE2 GLU A 2 1.356 -5.604 -0.271 1.00 51.25 O ATOM 0 H GLU A 2 3.094 -1.529 -3.082 1.00 50.31 H new ATOM 0 HA GLU A 2 5.269 -2.659 -1.467 1.00 62.40 H new ATOM 0 HB2 GLU A 2 3.085 -4.236 -2.874 1.00 54.10 H new ATOM 0 HB3 GLU A 2 4.634 -4.936 -2.447 1.00 54.10 H new ATOM 0 HG2 GLU A 2 4.232 -4.608 -0.093 1.00 60.50 H new ATOM 0 HG3 GLU A 2 2.821 -3.617 -0.405 1.00 60.50 H new ATOM 37 N ALA A 3 6.205 -1.702 -3.705 1.00 71.40 N ATOM 38 CA ALA A 3 7.004 -1.504 -4.908 1.00 14.50 C ATOM 39 C ALA A 3 6.135 -1.043 -6.074 1.00 2.44 C ATOM 40 O ALA A 3 4.980 -1.444 -6.215 1.00 61.44 O ATOM 41 CB ALA A 3 7.740 -2.785 -5.270 1.00 42.42 C ATOM 0 H ALA A 3 6.374 -1.017 -2.968 1.00 71.40 H new ATOM 0 HA ALA A 3 7.736 -0.723 -4.703 1.00 14.50 H new ATOM 0 HB1 ALA A 3 8.333 -2.622 -6.170 1.00 42.42 H new ATOM 0 HB2 ALA A 3 8.398 -3.071 -4.449 1.00 42.42 H new ATOM 0 HB3 ALA A 3 7.018 -3.581 -5.450 1.00 42.42 H new ATOM 47 N PRO A 4 6.701 -0.178 -6.929 1.00 65.50 N ATOM 48 CA PRO A 4 5.996 0.356 -8.098 1.00 31.14 C ATOM 49 C PRO A 4 5.763 -0.704 -9.169 1.00 45.11 C ATOM 50 O PRO A 4 6.322 -1.800 -9.123 1.00 73.33 O ATOM 51 CB PRO A 4 6.941 1.442 -8.616 1.00 41.53 C ATOM 52 CG PRO A 4 8.291 1.028 -8.143 1.00 23.24 C ATOM 53 CD PRO A 4 8.074 0.343 -6.822 1.00 4.04 C ATOM 0 HA PRO A 4 5.002 0.723 -7.842 1.00 31.14 H new ATOM 0 HB2 PRO A 4 6.907 1.511 -9.703 1.00 41.53 H new ATOM 0 HB3 PRO A 4 6.669 2.423 -8.226 1.00 41.53 H new ATOM 0 HG2 PRO A 4 8.766 0.356 -8.858 1.00 23.24 H new ATOM 0 HG3 PRO A 4 8.947 1.891 -8.032 1.00 23.24 H new ATOM 0 HD2 PRO A 4 8.796 -0.458 -6.661 1.00 4.04 H new ATOM 0 HD3 PRO A 4 8.176 1.037 -5.988 1.00 4.04 H new ATOM 61 N PRO A 5 4.920 -0.372 -10.158 1.00 4.20 N ATOM 62 CA PRO A 5 4.596 -1.282 -11.261 1.00 11.44 C ATOM 63 C PRO A 5 5.775 -1.493 -12.204 1.00 50.52 C ATOM 64 O PRO A 5 6.426 -0.536 -12.622 1.00 42.24 O ATOM 65 CB PRO A 5 3.452 -0.567 -11.985 1.00 63.31 C ATOM 66 CG PRO A 5 3.643 0.875 -11.664 1.00 50.04 C ATOM 67 CD PRO A 5 4.219 0.918 -10.276 1.00 64.22 C ATOM 0 HA PRO A 5 4.336 -2.279 -10.905 1.00 11.44 H new ATOM 0 HB2 PRO A 5 3.493 -0.742 -13.060 1.00 63.31 H new ATOM 0 HB3 PRO A 5 2.481 -0.924 -11.641 1.00 63.31 H new ATOM 0 HG2 PRO A 5 4.315 1.348 -12.380 1.00 50.04 H new ATOM 0 HG3 PRO A 5 2.697 1.414 -11.711 1.00 50.04 H new ATOM 0 HD2 PRO A 5 4.901 1.759 -10.150 1.00 64.22 H new ATOM 0 HD3 PRO A 5 3.440 1.023 -9.521 1.00 64.22 H new ATOM 75 N ALA A 6 6.044 -2.751 -12.536 1.00 33.10 N ATOM 76 CA ALA A 6 7.143 -3.087 -13.432 1.00 51.25 C ATOM 77 C ALA A 6 6.741 -2.892 -14.891 1.00 3.45 C ATOM 78 O ALA A 6 5.656 -3.298 -15.307 1.00 14.54 O ATOM 79 CB ALA A 6 7.599 -4.519 -13.196 1.00 15.04 C ATOM 0 H ALA A 6 5.515 -3.555 -12.198 1.00 33.10 H new ATOM 0 HA ALA A 6 7.973 -2.413 -13.217 1.00 51.25 H new ATOM 0 HB1 ALA A 6 8.420 -4.755 -13.872 1.00 15.04 H new ATOM 0 HB2 ALA A 6 7.935 -4.629 -12.165 1.00 15.04 H new ATOM 0 HB3 ALA A 6 6.769 -5.200 -13.381 1.00 15.04 H new ATOM 85 N THR A 7 7.624 -2.267 -15.664 1.00 53.32 N ATOM 86 CA THR A 7 7.360 -2.016 -17.075 1.00 43.14 C ATOM 87 C THR A 7 7.921 -3.134 -17.946 1.00 75.55 C ATOM 88 O THR A 7 8.967 -2.979 -18.577 1.00 61.23 O ATOM 89 CB THR A 7 7.966 -0.674 -17.530 1.00 74.52 C ATOM 90 OG1 THR A 7 7.585 0.367 -16.624 1.00 71.02 O ATOM 91 CG2 THR A 7 7.506 -0.323 -18.937 1.00 42.31 C ATOM 0 H THR A 7 8.528 -1.926 -15.336 1.00 53.32 H new ATOM 0 HA THR A 7 6.277 -1.976 -17.192 1.00 43.14 H new ATOM 0 HB THR A 7 9.052 -0.772 -17.534 1.00 74.52 H new ATOM 0 HG1 THR A 7 7.975 1.216 -16.919 1.00 71.02 H new ATOM 0 HG21 THR A 7 7.946 0.628 -19.237 1.00 42.31 H new ATOM 0 HG22 THR A 7 7.823 -1.104 -19.629 1.00 42.31 H new ATOM 0 HG23 THR A 7 6.419 -0.241 -18.955 1.00 42.31 H new ATOM 99 N LEU A 8 7.218 -4.262 -17.978 1.00 41.50 N ATOM 100 CA LEU A 8 7.645 -5.407 -18.773 1.00 63.35 C ATOM 101 C LEU A 8 7.286 -5.214 -20.243 1.00 61.23 C ATOM 102 O LEU A 8 6.119 -5.303 -20.623 1.00 41.41 O ATOM 103 CB LEU A 8 7.001 -6.690 -18.244 1.00 2.45 C ATOM 104 CG LEU A 8 7.080 -6.905 -16.732 1.00 22.22 C ATOM 105 CD1 LEU A 8 5.772 -6.507 -16.067 1.00 34.42 C ATOM 106 CD2 LEU A 8 7.422 -8.354 -16.417 1.00 34.32 C ATOM 0 H LEU A 8 6.350 -4.407 -17.462 1.00 41.50 H new ATOM 0 HA LEU A 8 8.729 -5.491 -18.690 1.00 63.35 H new ATOM 0 HB2 LEU A 8 5.951 -6.694 -18.537 1.00 2.45 H new ATOM 0 HB3 LEU A 8 7.473 -7.540 -18.737 1.00 2.45 H new ATOM 0 HG LEU A 8 7.873 -6.271 -16.335 1.00 22.22 H new ATOM 0 HD11 LEU A 8 5.847 -6.667 -14.991 1.00 34.42 H new ATOM 0 HD12 LEU A 8 5.569 -5.454 -16.264 1.00 34.42 H new ATOM 0 HD13 LEU A 8 4.960 -7.114 -16.468 1.00 34.42 H new ATOM 0 HD21 LEU A 8 7.474 -8.489 -15.337 1.00 34.32 H new ATOM 0 HD22 LEU A 8 6.652 -9.007 -16.828 1.00 34.32 H new ATOM 0 HD23 LEU A 8 8.385 -8.605 -16.861 1.00 34.32 H new ATOM 118 N GLU A 9 8.298 -4.952 -21.065 1.00 32.20 N ATOM 119 CA GLU A 9 8.088 -4.748 -22.493 1.00 74.34 C ATOM 120 C GLU A 9 7.940 -6.083 -23.218 1.00 25.32 C ATOM 121 O GLU A 9 7.886 -7.140 -22.589 1.00 43.12 O ATOM 122 CB GLU A 9 9.250 -3.955 -23.094 1.00 52.14 C ATOM 123 CG GLU A 9 9.191 -2.467 -22.793 1.00 2.21 C ATOM 124 CD GLU A 9 8.032 -1.777 -23.485 1.00 11.41 C ATOM 125 OE1 GLU A 9 6.884 -1.934 -23.018 1.00 23.10 O ATOM 126 OE2 GLU A 9 8.272 -1.080 -24.493 1.00 13.42 O ATOM 0 H GLU A 9 9.270 -4.876 -20.766 1.00 32.20 H new ATOM 0 HA GLU A 9 7.166 -4.181 -22.621 1.00 74.34 H new ATOM 0 HB2 GLU A 9 10.189 -4.357 -22.713 1.00 52.14 H new ATOM 0 HB3 GLU A 9 9.257 -4.099 -24.174 1.00 52.14 H new ATOM 0 HG2 GLU A 9 9.105 -2.321 -21.716 1.00 2.21 H new ATOM 0 HG3 GLU A 9 10.125 -2.000 -23.104 1.00 2.21 H new ATOM 133 N ALA A 10 7.876 -6.026 -24.544 1.00 32.30 N ATOM 134 CA ALA A 10 7.736 -7.230 -25.354 1.00 44.35 C ATOM 135 C ALA A 10 8.776 -7.264 -26.469 1.00 64.42 C ATOM 136 O ALA A 10 8.477 -6.944 -27.620 1.00 22.21 O ATOM 137 CB ALA A 10 6.333 -7.314 -25.936 1.00 61.44 C ATOM 0 H ALA A 10 7.919 -5.159 -25.080 1.00 32.30 H new ATOM 0 HA ALA A 10 7.903 -8.094 -24.710 1.00 44.35 H new ATOM 0 HB1 ALA A 10 6.243 -8.218 -26.539 1.00 61.44 H new ATOM 0 HB2 ALA A 10 5.604 -7.343 -25.126 1.00 61.44 H new ATOM 0 HB3 ALA A 10 6.146 -6.441 -26.561 1.00 61.44 H new ATOM 143 N ILE A 11 9.998 -7.654 -26.120 1.00 51.24 N ATOM 144 CA ILE A 11 11.081 -7.730 -27.092 1.00 65.23 C ATOM 145 C ILE A 11 10.866 -8.884 -28.066 1.00 25.13 C ATOM 146 O ILE A 11 9.955 -9.694 -27.894 1.00 12.11 O ATOM 147 CB ILE A 11 12.447 -7.904 -26.401 1.00 34.21 C ATOM 148 CG1 ILE A 11 12.586 -6.914 -25.243 1.00 20.45 C ATOM 149 CG2 ILE A 11 13.576 -7.717 -27.403 1.00 73.24 C ATOM 150 CD1 ILE A 11 13.087 -5.552 -25.669 1.00 33.13 C ATOM 0 H ILE A 11 10.262 -7.922 -25.172 1.00 51.24 H new ATOM 0 HA ILE A 11 11.078 -6.789 -27.641 1.00 65.23 H new ATOM 0 HB ILE A 11 12.508 -8.916 -26.000 1.00 34.21 H new ATOM 0 HG12 ILE A 11 11.618 -6.800 -24.755 1.00 20.45 H new ATOM 0 HG13 ILE A 11 13.270 -7.328 -24.502 1.00 20.45 H new ATOM 0 HG21 ILE A 11 14.534 -7.843 -26.899 1.00 73.24 H new ATOM 0 HG22 ILE A 11 13.484 -8.457 -28.198 1.00 73.24 H new ATOM 0 HG23 ILE A 11 13.520 -6.716 -27.831 1.00 73.24 H new ATOM 0 HD11 ILE A 11 13.161 -4.902 -24.797 1.00 33.13 H new ATOM 0 HD12 ILE A 11 14.069 -5.654 -26.130 1.00 33.13 H new ATOM 0 HD13 ILE A 11 12.392 -5.117 -26.387 1.00 33.13 H new ATOM 162 N HIS A 12 11.713 -8.954 -29.088 1.00 62.31 N ATOM 163 CA HIS A 12 11.618 -10.011 -30.089 1.00 34.34 C ATOM 164 C HIS A 12 11.604 -11.386 -29.427 1.00 61.11 C ATOM 165 O HIS A 12 11.821 -11.525 -28.223 1.00 41.41 O ATOM 166 CB HIS A 12 12.784 -9.918 -31.073 1.00 52.41 C ATOM 167 CG HIS A 12 12.375 -9.479 -32.446 1.00 21.43 C ATOM 168 ND1 HIS A 12 13.277 -9.265 -33.467 1.00 34.21 N ATOM 169 CD2 HIS A 12 11.153 -9.217 -32.964 1.00 15.11 C ATOM 170 CE1 HIS A 12 12.626 -8.888 -34.553 1.00 64.03 C ATOM 171 NE2 HIS A 12 11.336 -8.851 -34.275 1.00 32.32 N ATOM 0 H HIS A 12 12.473 -8.292 -29.245 1.00 62.31 H new ATOM 0 HA HIS A 12 10.683 -9.879 -30.633 1.00 34.34 H new ATOM 0 HB2 HIS A 12 13.524 -9.219 -30.682 1.00 52.41 H new ATOM 0 HB3 HIS A 12 13.270 -10.891 -31.141 1.00 52.41 H new ATOM 0 HD2 HIS A 12 10.209 -9.283 -32.443 1.00 15.11 H new ATOM 0 HE1 HIS A 12 13.073 -8.650 -35.507 1.00 64.03 H new ATOM 0 HE2 HIS A 12 10.596 -8.593 -34.928 1.00 32.32 H new ATOM 179 N PRO A 13 11.343 -12.428 -30.231 1.00 14.43 N ATOM 180 CA PRO A 13 11.294 -13.810 -29.745 1.00 3.22 C ATOM 181 C PRO A 13 12.671 -14.334 -29.350 1.00 72.13 C ATOM 182 O PRO A 13 12.886 -15.544 -29.270 1.00 5.42 O ATOM 183 CB PRO A 13 10.749 -14.589 -30.944 1.00 40.35 C ATOM 184 CG PRO A 13 11.124 -13.769 -32.130 1.00 52.35 C ATOM 185 CD PRO A 13 11.075 -12.336 -31.676 1.00 34.22 C ATOM 0 HA PRO A 13 10.685 -13.905 -28.846 1.00 3.22 H new ATOM 0 HB2 PRO A 13 11.184 -15.587 -30.999 1.00 40.35 H new ATOM 0 HB3 PRO A 13 9.669 -14.716 -30.876 1.00 40.35 H new ATOM 0 HG2 PRO A 13 12.120 -14.031 -32.486 1.00 52.35 H new ATOM 0 HG3 PRO A 13 10.434 -13.940 -32.956 1.00 52.35 H new ATOM 0 HD2 PRO A 13 11.822 -11.727 -32.185 1.00 34.22 H new ATOM 0 HD3 PRO A 13 10.104 -11.884 -31.877 1.00 34.22 H new ATOM 193 N LYS A 14 13.600 -13.417 -29.105 1.00 0.24 N ATOM 194 CA LYS A 14 14.956 -13.786 -28.716 1.00 42.45 C ATOM 195 C LYS A 14 15.375 -13.057 -27.443 1.00 72.42 C ATOM 196 O LYS A 14 16.562 -12.849 -27.198 1.00 21.25 O ATOM 197 CB LYS A 14 15.937 -13.465 -29.846 1.00 43.43 C ATOM 198 CG LYS A 14 16.115 -11.976 -30.093 1.00 30.50 C ATOM 199 CD LYS A 14 16.979 -11.713 -31.315 1.00 31.11 C ATOM 200 CE LYS A 14 16.591 -10.413 -32.002 1.00 52.12 C ATOM 201 NZ LYS A 14 17.252 -10.268 -33.329 1.00 10.34 N ATOM 0 H LYS A 14 13.439 -12.412 -29.169 1.00 0.24 H new ATOM 0 HA LYS A 14 14.972 -14.858 -28.521 1.00 42.45 H new ATOM 0 HB2 LYS A 14 16.906 -13.904 -29.610 1.00 43.43 H new ATOM 0 HB3 LYS A 14 15.588 -13.938 -30.764 1.00 43.43 H new ATOM 0 HG2 LYS A 14 15.139 -11.510 -30.229 1.00 30.50 H new ATOM 0 HG3 LYS A 14 16.570 -11.513 -29.218 1.00 30.50 H new ATOM 0 HD2 LYS A 14 18.027 -11.670 -31.019 1.00 31.11 H new ATOM 0 HD3 LYS A 14 16.880 -12.541 -32.017 1.00 31.11 H new ATOM 0 HE2 LYS A 14 15.509 -10.379 -32.130 1.00 52.12 H new ATOM 0 HE3 LYS A 14 16.864 -9.571 -31.366 1.00 52.12 H new ATOM 0 HZ1 LYS A 14 16.962 -9.369 -33.765 1.00 10.34 H new ATOM 0 HZ2 LYS A 14 18.285 -10.275 -33.205 1.00 10.34 H new ATOM 0 HZ3 LYS A 14 16.972 -11.058 -33.945 1.00 10.34 H new ATOM 215 N GLY A 15 14.391 -12.673 -26.635 1.00 71.55 N ATOM 216 CA GLY A 15 14.678 -11.974 -25.397 1.00 22.12 C ATOM 217 C GLY A 15 13.523 -11.106 -24.940 1.00 11.31 C ATOM 218 O GLY A 15 12.482 -11.048 -25.596 1.00 60.30 O ATOM 0 H GLY A 15 13.400 -12.834 -26.816 1.00 71.55 H new ATOM 0 HA2 GLY A 15 14.912 -12.701 -24.619 1.00 22.12 H new ATOM 0 HA3 GLY A 15 15.564 -11.353 -25.531 1.00 22.12 H new ATOM 222 N LEU A 16 13.704 -10.429 -23.811 1.00 71.01 N ATOM 223 CA LEU A 16 12.667 -9.560 -23.265 1.00 41.14 C ATOM 224 C LEU A 16 13.282 -8.402 -22.486 1.00 51.32 C ATOM 225 O LEU A 16 14.426 -8.480 -22.038 1.00 71.01 O ATOM 226 CB LEU A 16 11.730 -10.359 -22.358 1.00 55.05 C ATOM 227 CG LEU A 16 10.476 -9.627 -21.877 1.00 5.12 C ATOM 228 CD1 LEU A 16 9.729 -9.017 -23.053 1.00 22.42 C ATOM 229 CD2 LEU A 16 9.572 -10.572 -21.100 1.00 31.41 C ATOM 0 H LEU A 16 14.559 -10.465 -23.256 1.00 71.01 H new ATOM 0 HA LEU A 16 12.095 -9.151 -24.098 1.00 41.14 H new ATOM 0 HB2 LEU A 16 11.420 -11.258 -22.891 1.00 55.05 H new ATOM 0 HB3 LEU A 16 12.294 -10.685 -21.484 1.00 55.05 H new ATOM 0 HG LEU A 16 10.783 -8.820 -21.211 1.00 5.12 H new ATOM 0 HD11 LEU A 16 8.840 -8.501 -22.691 1.00 22.42 H new ATOM 0 HD12 LEU A 16 10.377 -8.307 -23.567 1.00 22.42 H new ATOM 0 HD13 LEU A 16 9.434 -9.806 -23.745 1.00 22.42 H new ATOM 0 HD21 LEU A 16 8.685 -10.034 -20.766 1.00 31.41 H new ATOM 0 HD22 LEU A 16 9.273 -11.400 -21.743 1.00 31.41 H new ATOM 0 HD23 LEU A 16 10.109 -10.960 -20.234 1.00 31.41 H new ATOM 241 N ARG A 17 12.514 -7.329 -22.327 1.00 0.21 N ATOM 242 CA ARG A 17 12.983 -6.155 -21.601 1.00 11.32 C ATOM 243 C ARG A 17 12.005 -5.774 -20.493 1.00 72.02 C ATOM 244 O ARG A 17 10.796 -5.705 -20.715 1.00 12.22 O ATOM 245 CB ARG A 17 13.169 -4.977 -22.559 1.00 14.31 C ATOM 246 CG ARG A 17 13.741 -3.735 -21.894 1.00 62.53 C ATOM 247 CD ARG A 17 13.432 -2.481 -22.696 1.00 71.14 C ATOM 248 NE ARG A 17 13.212 -1.322 -21.836 1.00 53.31 N ATOM 249 CZ ARG A 17 12.758 -0.154 -22.278 1.00 63.02 C ATOM 250 NH1 ARG A 17 12.478 0.008 -23.564 1.00 1.31 N ATOM 251 NH2 ARG A 17 12.584 0.854 -21.433 1.00 52.24 N ATOM 0 H ARG A 17 11.565 -7.249 -22.691 1.00 0.21 H new ATOM 0 HA ARG A 17 13.943 -6.400 -21.146 1.00 11.32 H new ATOM 0 HB2 ARG A 17 13.830 -5.281 -23.371 1.00 14.31 H new ATOM 0 HB3 ARG A 17 12.207 -4.729 -23.007 1.00 14.31 H new ATOM 0 HG2 ARG A 17 13.329 -3.636 -20.890 1.00 62.53 H new ATOM 0 HG3 ARG A 17 14.820 -3.843 -21.787 1.00 62.53 H new ATOM 0 HD2 ARG A 17 14.257 -2.275 -23.378 1.00 71.14 H new ATOM 0 HD3 ARG A 17 12.547 -2.651 -23.308 1.00 71.14 H new ATOM 0 HE ARG A 17 13.418 -1.414 -20.841 1.00 53.31 H new ATOM 0 HH11 ARG A 17 12.611 -0.765 -24.216 1.00 1.31 H new ATOM 0 HH12 ARG A 17 12.130 0.905 -23.901 1.00 1.31 H new ATOM 0 HH21 ARG A 17 12.799 0.733 -20.443 1.00 52.24 H new ATOM 0 HH22 ARG A 17 12.235 1.750 -21.773 1.00 52.24 H new ATOM 265 N VAL A 18 12.536 -5.529 -19.300 1.00 5.42 N ATOM 266 CA VAL A 18 11.711 -5.155 -18.157 1.00 43.55 C ATOM 267 C VAL A 18 12.398 -4.091 -17.308 1.00 40.23 C ATOM 268 O VAL A 18 13.436 -4.344 -16.698 1.00 23.44 O ATOM 269 CB VAL A 18 11.391 -6.374 -17.273 1.00 21.10 C ATOM 270 CG1 VAL A 18 10.744 -5.933 -15.969 1.00 71.10 C ATOM 271 CG2 VAL A 18 10.495 -7.352 -18.018 1.00 44.14 C ATOM 0 H VAL A 18 13.535 -5.583 -19.099 1.00 5.42 H new ATOM 0 HA VAL A 18 10.781 -4.752 -18.557 1.00 43.55 H new ATOM 0 HB VAL A 18 12.325 -6.882 -17.034 1.00 21.10 H new ATOM 0 HG11 VAL A 18 10.525 -6.808 -15.357 1.00 71.10 H new ATOM 0 HG12 VAL A 18 11.425 -5.274 -15.430 1.00 71.10 H new ATOM 0 HG13 VAL A 18 9.818 -5.400 -16.184 1.00 71.10 H new ATOM 0 HG21 VAL A 18 10.279 -8.208 -17.378 1.00 44.14 H new ATOM 0 HG22 VAL A 18 9.562 -6.857 -18.289 1.00 44.14 H new ATOM 0 HG23 VAL A 18 11.001 -7.693 -18.921 1.00 44.14 H new ATOM 281 N SER A 19 11.811 -2.899 -17.274 1.00 12.11 N ATOM 282 CA SER A 19 12.368 -1.794 -16.502 1.00 32.42 C ATOM 283 C SER A 19 11.378 -1.318 -15.443 1.00 52.12 C ATOM 284 O SER A 19 10.170 -1.517 -15.572 1.00 32.11 O ATOM 285 CB SER A 19 12.740 -0.634 -17.427 1.00 63.30 C ATOM 286 OG SER A 19 12.907 0.568 -16.696 1.00 23.03 O ATOM 0 H SER A 19 10.950 -2.674 -17.772 1.00 12.11 H new ATOM 0 HA SER A 19 13.267 -2.151 -16.000 1.00 32.42 H new ATOM 0 HB2 SER A 19 13.661 -0.870 -17.959 1.00 63.30 H new ATOM 0 HB3 SER A 19 11.962 -0.501 -18.179 1.00 63.30 H new ATOM 0 HG SER A 19 13.146 1.294 -17.310 1.00 23.03 H new ATOM 292 N VAL A 20 11.899 -0.687 -14.396 1.00 1.22 N ATOM 293 CA VAL A 20 11.063 -0.180 -13.314 1.00 74.25 C ATOM 294 C VAL A 20 11.535 1.193 -12.851 1.00 45.11 C ATOM 295 O VAL A 20 12.710 1.543 -12.964 1.00 5.23 O ATOM 296 CB VAL A 20 11.057 -1.142 -12.111 1.00 41.14 C ATOM 297 CG1 VAL A 20 10.513 -2.503 -12.518 1.00 41.11 C ATOM 298 CG2 VAL A 20 12.455 -1.271 -11.526 1.00 44.33 C ATOM 0 H VAL A 20 12.897 -0.514 -14.274 1.00 1.22 H new ATOM 0 HA VAL A 20 10.050 -0.098 -13.709 1.00 74.25 H new ATOM 0 HB VAL A 20 10.402 -0.731 -11.342 1.00 41.14 H new ATOM 0 HG11 VAL A 20 10.516 -3.169 -11.655 1.00 41.11 H new ATOM 0 HG12 VAL A 20 9.493 -2.392 -12.887 1.00 41.11 H new ATOM 0 HG13 VAL A 20 11.139 -2.925 -13.304 1.00 41.11 H new ATOM 0 HG21 VAL A 20 12.433 -1.954 -10.677 1.00 44.33 H new ATOM 0 HG22 VAL A 20 13.133 -1.659 -12.286 1.00 44.33 H new ATOM 0 HG23 VAL A 20 12.803 -0.292 -11.195 1.00 44.33 H new ATOM 308 N PRO A 21 10.600 1.992 -12.316 1.00 71.43 N ATOM 309 CA PRO A 21 10.897 3.340 -11.824 1.00 23.14 C ATOM 310 C PRO A 21 11.745 3.320 -10.556 1.00 72.01 C ATOM 311 O PRO A 21 11.349 2.744 -9.542 1.00 41.34 O ATOM 312 CB PRO A 21 9.513 3.924 -11.532 1.00 51.41 C ATOM 313 CG PRO A 21 8.648 2.739 -11.274 1.00 0.33 C ATOM 314 CD PRO A 21 9.180 1.640 -12.151 1.00 34.42 C ATOM 0 HA PRO A 21 11.475 3.919 -12.544 1.00 23.14 H new ATOM 0 HB2 PRO A 21 9.539 4.591 -10.670 1.00 51.41 H new ATOM 0 HB3 PRO A 21 9.144 4.508 -12.375 1.00 51.41 H new ATOM 0 HG2 PRO A 21 8.683 2.451 -10.223 1.00 0.33 H new ATOM 0 HG3 PRO A 21 7.606 2.957 -11.510 1.00 0.33 H new ATOM 0 HD2 PRO A 21 9.060 0.661 -11.686 1.00 34.42 H new ATOM 0 HD3 PRO A 21 8.661 1.604 -13.109 1.00 34.42 H new ATOM 322 N ASP A 22 12.911 3.952 -10.620 1.00 44.22 N ATOM 323 CA ASP A 22 13.814 4.008 -9.476 1.00 44.45 C ATOM 324 C ASP A 22 13.110 4.592 -8.256 1.00 34.43 C ATOM 325 O ASP A 22 12.647 3.856 -7.384 1.00 65.03 O ATOM 326 CB ASP A 22 15.050 4.844 -9.815 1.00 54.24 C ATOM 327 CG ASP A 22 15.855 5.212 -8.585 1.00 1.31 C ATOM 328 OD1 ASP A 22 16.279 4.291 -7.857 1.00 3.13 O ATOM 329 OD2 ASP A 22 16.060 6.422 -8.350 1.00 24.34 O ATOM 0 H ASP A 22 13.254 4.433 -11.452 1.00 44.22 H new ATOM 0 HA ASP A 22 14.126 2.990 -9.241 1.00 44.45 H new ATOM 0 HB2 ASP A 22 15.683 4.288 -10.507 1.00 54.24 H new ATOM 0 HB3 ASP A 22 14.740 5.754 -10.328 1.00 54.24 H new ATOM 334 N GLU A 23 13.033 5.918 -8.200 1.00 75.44 N ATOM 335 CA GLU A 23 12.386 6.599 -7.085 1.00 33.30 C ATOM 336 C GLU A 23 13.347 6.752 -5.910 1.00 1.30 C ATOM 337 O GLU A 23 13.088 7.511 -4.977 1.00 1.11 O ATOM 338 CB GLU A 23 11.140 5.829 -6.642 1.00 20.34 C ATOM 339 CG GLU A 23 9.975 6.725 -6.258 1.00 53.21 C ATOM 340 CD GLU A 23 9.029 6.979 -7.416 1.00 14.35 C ATOM 341 OE1 GLU A 23 8.544 5.995 -8.012 1.00 64.32 O ATOM 342 OE2 GLU A 23 8.773 8.162 -7.725 1.00 33.42 O ATOM 0 H GLU A 23 13.411 6.542 -8.913 1.00 75.44 H new ATOM 0 HA GLU A 23 12.090 7.592 -7.422 1.00 33.30 H new ATOM 0 HB2 GLU A 23 10.827 5.166 -7.449 1.00 20.34 H new ATOM 0 HB3 GLU A 23 11.397 5.197 -5.792 1.00 20.34 H new ATOM 0 HG2 GLU A 23 9.424 6.266 -5.437 1.00 53.21 H new ATOM 0 HG3 GLU A 23 10.359 7.677 -5.892 1.00 53.21 H new ATOM 349 N GLY A 24 14.459 6.025 -5.963 1.00 71.23 N ATOM 350 CA GLY A 24 15.442 6.093 -4.898 1.00 41.42 C ATOM 351 C GLY A 24 15.936 4.724 -4.476 1.00 35.25 C ATOM 352 O GLY A 24 16.680 4.597 -3.503 1.00 71.11 O ATOM 0 H GLY A 24 14.696 5.390 -6.725 1.00 71.23 H new ATOM 0 HA2 GLY A 24 16.289 6.696 -5.227 1.00 41.42 H new ATOM 0 HA3 GLY A 24 15.006 6.600 -4.037 1.00 41.42 H new ATOM 356 N PHE A 25 15.519 3.695 -5.206 1.00 41.15 N ATOM 357 CA PHE A 25 15.921 2.327 -4.900 1.00 44.24 C ATOM 358 C PHE A 25 17.441 2.212 -4.820 1.00 12.20 C ATOM 359 O PHE A 25 18.165 3.118 -5.233 1.00 63.51 O ATOM 360 CB PHE A 25 15.381 1.365 -5.960 1.00 62.03 C ATOM 361 CG PHE A 25 13.910 1.093 -5.829 1.00 30.44 C ATOM 362 CD1 PHE A 25 13.396 0.535 -4.669 1.00 24.21 C ATOM 363 CD2 PHE A 25 13.041 1.395 -6.864 1.00 74.12 C ATOM 364 CE1 PHE A 25 12.043 0.283 -4.546 1.00 22.55 C ATOM 365 CE2 PHE A 25 11.686 1.145 -6.746 1.00 42.24 C ATOM 366 CZ PHE A 25 11.187 0.589 -5.585 1.00 52.20 C ATOM 0 H PHE A 25 14.903 3.782 -6.014 1.00 41.15 H new ATOM 0 HA PHE A 25 15.502 2.060 -3.930 1.00 44.24 H new ATOM 0 HB2 PHE A 25 15.579 1.778 -6.949 1.00 62.03 H new ATOM 0 HB3 PHE A 25 15.924 0.422 -5.894 1.00 62.03 H new ATOM 0 HD1 PHE A 25 14.060 0.295 -3.852 1.00 24.21 H new ATOM 0 HD2 PHE A 25 13.426 1.831 -7.774 1.00 74.12 H new ATOM 0 HE1 PHE A 25 11.655 -0.153 -3.637 1.00 22.55 H new ATOM 0 HE2 PHE A 25 11.019 1.384 -7.561 1.00 42.24 H new ATOM 0 HZ PHE A 25 10.129 0.394 -5.490 1.00 52.20 H new ATOM 376 N SER A 26 17.916 1.092 -4.284 1.00 50.34 N ATOM 377 CA SER A 26 19.349 0.860 -4.145 1.00 73.41 C ATOM 378 C SER A 26 19.722 -0.537 -4.632 1.00 20.44 C ATOM 379 O SER A 26 20.895 -0.914 -4.635 1.00 11.13 O ATOM 380 CB SER A 26 19.776 1.035 -2.687 1.00 11.24 C ATOM 381 OG SER A 26 21.188 1.073 -2.570 1.00 33.34 O ATOM 0 H SER A 26 17.330 0.332 -3.939 1.00 50.34 H new ATOM 0 HA SER A 26 19.872 1.592 -4.760 1.00 73.41 H new ATOM 0 HB2 SER A 26 19.350 1.956 -2.288 1.00 11.24 H new ATOM 0 HB3 SER A 26 19.380 0.215 -2.088 1.00 11.24 H new ATOM 0 HG SER A 26 21.587 0.461 -3.223 1.00 33.34 H new ATOM 387 N LEU A 27 18.716 -1.302 -5.042 1.00 64.22 N ATOM 388 CA LEU A 27 18.937 -2.659 -5.531 1.00 40.35 C ATOM 389 C LEU A 27 17.659 -3.236 -6.130 1.00 75.31 C ATOM 390 O LEU A 27 16.567 -3.043 -5.594 1.00 21.21 O ATOM 391 CB LEU A 27 19.434 -3.557 -4.397 1.00 53.41 C ATOM 392 CG LEU A 27 19.046 -5.033 -4.491 1.00 1.21 C ATOM 393 CD1 LEU A 27 17.558 -5.212 -4.232 1.00 42.41 C ATOM 394 CD2 LEU A 27 19.424 -5.598 -5.852 1.00 62.03 C ATOM 0 H LEU A 27 17.740 -1.006 -5.046 1.00 64.22 H new ATOM 0 HA LEU A 27 19.696 -2.618 -6.312 1.00 40.35 H new ATOM 0 HB2 LEU A 27 20.521 -3.490 -4.357 1.00 53.41 H new ATOM 0 HB3 LEU A 27 19.055 -3.162 -3.455 1.00 53.41 H new ATOM 0 HG LEU A 27 19.595 -5.582 -3.726 1.00 1.21 H new ATOM 0 HD11 LEU A 27 17.301 -6.269 -4.303 1.00 42.41 H new ATOM 0 HD12 LEU A 27 17.316 -4.846 -3.234 1.00 42.41 H new ATOM 0 HD13 LEU A 27 16.990 -4.650 -4.973 1.00 42.41 H new ATOM 0 HD21 LEU A 27 19.141 -6.649 -5.901 1.00 62.03 H new ATOM 0 HD22 LEU A 27 18.903 -5.045 -6.633 1.00 62.03 H new ATOM 0 HD23 LEU A 27 20.500 -5.505 -5.998 1.00 62.03 H new ATOM 406 N PHE A 28 17.801 -3.948 -7.243 1.00 44.34 N ATOM 407 CA PHE A 28 16.658 -4.555 -7.914 1.00 61.25 C ATOM 408 C PHE A 28 16.956 -6.003 -8.293 1.00 41.14 C ATOM 409 O PHE A 28 18.109 -6.375 -8.508 1.00 3.21 O ATOM 410 CB PHE A 28 16.289 -3.754 -9.165 1.00 63.40 C ATOM 411 CG PHE A 28 14.998 -4.190 -9.797 1.00 21.13 C ATOM 412 CD1 PHE A 28 13.876 -4.427 -9.019 1.00 2.43 C ATOM 413 CD2 PHE A 28 14.906 -4.363 -11.168 1.00 41.44 C ATOM 414 CE1 PHE A 28 12.687 -4.828 -9.597 1.00 62.45 C ATOM 415 CE2 PHE A 28 13.720 -4.764 -11.753 1.00 14.11 C ATOM 416 CZ PHE A 28 12.608 -4.996 -10.966 1.00 64.13 C ATOM 0 H PHE A 28 18.697 -4.119 -7.699 1.00 44.34 H new ATOM 0 HA PHE A 28 15.815 -4.545 -7.223 1.00 61.25 H new ATOM 0 HB2 PHE A 28 16.218 -2.698 -8.903 1.00 63.40 H new ATOM 0 HB3 PHE A 28 17.092 -3.847 -9.896 1.00 63.40 H new ATOM 0 HD1 PHE A 28 13.932 -4.297 -7.948 1.00 2.43 H new ATOM 0 HD2 PHE A 28 15.772 -4.182 -11.788 1.00 41.44 H new ATOM 0 HE1 PHE A 28 11.820 -5.010 -8.979 1.00 62.45 H new ATOM 0 HE2 PHE A 28 13.662 -4.896 -12.823 1.00 14.11 H new ATOM 0 HZ PHE A 28 11.679 -5.308 -11.420 1.00 64.13 H new ATOM 426 N ALA A 29 15.907 -6.815 -8.373 1.00 62.21 N ATOM 427 CA ALA A 29 16.055 -8.221 -8.727 1.00 62.42 C ATOM 428 C ALA A 29 14.912 -8.685 -9.623 1.00 71.14 C ATOM 429 O ALA A 29 13.845 -8.071 -9.653 1.00 61.24 O ATOM 430 CB ALA A 29 16.125 -9.077 -7.471 1.00 75.53 C ATOM 0 H ALA A 29 14.946 -6.523 -8.197 1.00 62.21 H new ATOM 0 HA ALA A 29 16.986 -8.334 -9.283 1.00 62.42 H new ATOM 0 HB1 ALA A 29 16.235 -10.125 -7.750 1.00 75.53 H new ATOM 0 HB2 ALA A 29 16.980 -8.770 -6.869 1.00 75.53 H new ATOM 0 HB3 ALA A 29 15.210 -8.950 -6.893 1.00 75.53 H new ATOM 436 N PHE A 30 15.142 -9.772 -10.353 1.00 14.20 N ATOM 437 CA PHE A 30 14.131 -10.317 -11.252 1.00 12.12 C ATOM 438 C PHE A 30 14.107 -11.841 -11.183 1.00 31.00 C ATOM 439 O PHE A 30 15.137 -12.497 -11.338 1.00 64.13 O ATOM 440 CB PHE A 30 14.398 -9.864 -12.689 1.00 21.13 C ATOM 441 CG PHE A 30 13.218 -10.038 -13.601 1.00 71.13 C ATOM 442 CD1 PHE A 30 12.633 -11.283 -13.770 1.00 2.12 C ATOM 443 CD2 PHE A 30 12.694 -8.957 -14.291 1.00 54.12 C ATOM 444 CE1 PHE A 30 11.547 -11.446 -14.609 1.00 32.44 C ATOM 445 CE2 PHE A 30 11.607 -9.114 -15.131 1.00 22.21 C ATOM 446 CZ PHE A 30 11.034 -10.361 -15.291 1.00 11.42 C ATOM 0 H PHE A 30 16.019 -10.292 -10.340 1.00 14.20 H new ATOM 0 HA PHE A 30 13.158 -9.941 -10.935 1.00 12.12 H new ATOM 0 HB2 PHE A 30 14.690 -8.814 -12.682 1.00 21.13 H new ATOM 0 HB3 PHE A 30 15.242 -10.427 -13.088 1.00 21.13 H new ATOM 0 HD1 PHE A 30 13.030 -12.136 -13.240 1.00 2.12 H new ATOM 0 HD2 PHE A 30 13.140 -7.981 -14.171 1.00 54.12 H new ATOM 0 HE1 PHE A 30 11.100 -12.422 -14.731 1.00 32.44 H new ATOM 0 HE2 PHE A 30 11.206 -8.263 -15.661 1.00 22.21 H new ATOM 0 HZ PHE A 30 10.186 -10.487 -15.948 1.00 11.42 H new ATOM 456 N HIS A 31 12.923 -12.398 -10.948 1.00 61.43 N ATOM 457 CA HIS A 31 12.764 -13.845 -10.859 1.00 33.54 C ATOM 458 C HIS A 31 11.349 -14.261 -11.249 1.00 34.43 C ATOM 459 O HIS A 31 10.467 -14.372 -10.398 1.00 53.10 O ATOM 460 CB HIS A 31 13.077 -14.327 -9.442 1.00 22.41 C ATOM 461 CG HIS A 31 14.477 -14.833 -9.277 1.00 44.03 C ATOM 462 ND1 HIS A 31 15.576 -14.242 -8.751 1.00 1.22 N flip ATOM 463 CD2 HIS A 31 14.876 -16.090 -9.681 1.00 33.53 C flip ATOM 464 CE1 HIS A 31 16.607 -15.144 -8.844 1.00 74.20 C flip ATOM 465 NE2 HIS A 31 16.159 -16.251 -9.408 1.00 30.44 N flip ATOM 0 H HIS A 31 12.061 -11.870 -10.816 1.00 61.43 H new ATOM 0 HA HIS A 31 13.464 -14.306 -11.555 1.00 33.54 H new ATOM 0 HB2 HIS A 31 12.911 -13.507 -8.743 1.00 22.41 H new ATOM 0 HB3 HIS A 31 12.379 -15.120 -9.174 1.00 22.41 H new ATOM 0 HD1 HIS A 31 15.628 -13.302 -8.359 1.00 1.22 H new ATOM 0 HD2 HIS A 31 14.239 -16.827 -10.147 1.00 33.53 H new ATOM 0 HE1 HIS A 31 17.620 -14.976 -8.510 1.00 74.20 H new ATOM 473 N GLY A 32 11.139 -14.490 -12.542 1.00 20.13 N ATOM 474 CA GLY A 32 9.829 -14.890 -13.022 1.00 22.15 C ATOM 475 C GLY A 32 9.909 -15.839 -14.201 1.00 33.55 C ATOM 476 O GLY A 32 10.997 -16.241 -14.612 1.00 24.21 O ATOM 0 H GLY A 32 11.853 -14.406 -13.266 1.00 20.13 H new ATOM 0 HA2 GLY A 32 9.279 -15.368 -12.211 1.00 22.15 H new ATOM 0 HA3 GLY A 32 9.265 -14.003 -13.311 1.00 22.15 H new ATOM 480 N LYS A 33 8.752 -16.201 -14.746 1.00 23.33 N ATOM 481 CA LYS A 33 8.694 -17.110 -15.884 1.00 72.15 C ATOM 482 C LYS A 33 7.721 -16.596 -16.941 1.00 61.42 C ATOM 483 O LYS A 33 7.327 -15.430 -16.922 1.00 15.44 O ATOM 484 CB LYS A 33 8.274 -18.508 -15.426 1.00 72.52 C ATOM 485 CG LYS A 33 8.834 -18.898 -14.069 1.00 43.23 C ATOM 486 CD LYS A 33 7.727 -19.210 -13.077 1.00 74.11 C ATOM 487 CE LYS A 33 7.180 -20.616 -13.276 1.00 4.41 C ATOM 488 NZ LYS A 33 7.768 -21.581 -12.307 1.00 25.51 N ATOM 0 H LYS A 33 7.842 -15.878 -14.417 1.00 23.33 H new ATOM 0 HA LYS A 33 9.689 -17.163 -16.326 1.00 72.15 H new ATOM 0 HB2 LYS A 33 7.186 -18.557 -15.388 1.00 72.52 H new ATOM 0 HB3 LYS A 33 8.600 -19.237 -16.167 1.00 72.52 H new ATOM 0 HG2 LYS A 33 9.482 -19.768 -14.178 1.00 43.23 H new ATOM 0 HG3 LYS A 33 9.452 -18.087 -13.683 1.00 43.23 H new ATOM 0 HD2 LYS A 33 8.108 -19.107 -12.061 1.00 74.11 H new ATOM 0 HD3 LYS A 33 6.921 -18.485 -13.190 1.00 74.11 H new ATOM 0 HE2 LYS A 33 6.096 -20.603 -13.164 1.00 4.41 H new ATOM 0 HE3 LYS A 33 7.391 -20.948 -14.293 1.00 4.41 H new ATOM 0 HZ1 LYS A 33 8.581 -22.061 -12.744 1.00 25.51 H new ATOM 0 HZ2 LYS A 33 8.083 -21.071 -11.457 1.00 25.51 H new ATOM 0 HZ3 LYS A 33 7.051 -22.286 -12.041 1.00 25.51 H new ATOM 502 N LEU A 34 7.337 -17.474 -17.861 1.00 52.04 N ATOM 503 CA LEU A 34 6.408 -17.109 -18.926 1.00 22.42 C ATOM 504 C LEU A 34 5.296 -18.145 -19.056 1.00 14.41 C ATOM 505 O LEU A 34 5.511 -19.334 -18.826 1.00 51.20 O ATOM 506 CB LEU A 34 7.153 -16.975 -20.255 1.00 50.51 C ATOM 507 CG LEU A 34 6.285 -16.723 -21.488 1.00 73.14 C ATOM 508 CD1 LEU A 34 5.911 -15.252 -21.587 1.00 34.30 C ATOM 509 CD2 LEU A 34 7.005 -17.178 -22.749 1.00 51.24 C ATOM 0 H LEU A 34 7.654 -18.443 -17.891 1.00 52.04 H new ATOM 0 HA LEU A 34 5.958 -16.150 -18.670 1.00 22.42 H new ATOM 0 HB2 LEU A 34 7.869 -16.158 -20.166 1.00 50.51 H new ATOM 0 HB3 LEU A 34 7.728 -17.886 -20.420 1.00 50.51 H new ATOM 0 HG LEU A 34 5.368 -17.304 -21.387 1.00 73.14 H new ATOM 0 HD11 LEU A 34 5.293 -15.092 -22.471 1.00 34.30 H new ATOM 0 HD12 LEU A 34 5.355 -14.957 -20.697 1.00 34.30 H new ATOM 0 HD13 LEU A 34 6.817 -14.651 -21.664 1.00 34.30 H new ATOM 0 HD21 LEU A 34 6.372 -16.991 -23.617 1.00 51.24 H new ATOM 0 HD22 LEU A 34 7.938 -16.625 -22.855 1.00 51.24 H new ATOM 0 HD23 LEU A 34 7.221 -18.244 -22.680 1.00 51.24 H new ATOM 521 N ASN A 35 4.106 -17.683 -19.428 1.00 71.53 N ATOM 522 CA ASN A 35 2.959 -18.570 -19.591 1.00 44.00 C ATOM 523 C ASN A 35 2.928 -19.626 -18.490 1.00 73.04 C ATOM 524 O ASN A 35 2.452 -20.741 -18.701 1.00 15.04 O ATOM 525 CB ASN A 35 3.003 -19.247 -20.962 1.00 74.42 C ATOM 526 CG ASN A 35 2.494 -18.345 -22.069 1.00 41.55 C ATOM 527 OD1 ASN A 35 2.922 -17.088 -22.051 1.00 50.51 O flip ATOM 528 ND2 ASN A 35 1.726 -18.773 -22.931 1.00 41.51 N flip ATOM 0 H ASN A 35 3.911 -16.701 -19.622 1.00 71.53 H new ATOM 0 HA ASN A 35 2.052 -17.969 -19.519 1.00 44.00 H new ATOM 0 HB2 ASN A 35 4.027 -19.547 -21.183 1.00 74.42 H new ATOM 0 HB3 ASN A 35 2.404 -20.157 -20.934 1.00 74.42 H new ATOM 0 HD21 ASN A 35 1.423 -19.747 -22.906 1.00 41.51 H new ATOM 0 HD22 ASN A 35 1.393 -18.154 -23.670 1.00 41.51 H new ATOM 535 N GLU A 36 3.438 -19.265 -17.317 1.00 32.51 N ATOM 536 CA GLU A 36 3.468 -20.182 -16.184 1.00 32.54 C ATOM 537 C GLU A 36 3.628 -19.420 -14.871 1.00 71.52 C ATOM 538 O GLU A 36 4.538 -18.605 -14.722 1.00 74.45 O ATOM 539 CB GLU A 36 4.609 -21.189 -16.344 1.00 32.42 C ATOM 540 CG GLU A 36 4.708 -22.184 -15.200 1.00 33.43 C ATOM 541 CD GLU A 36 4.401 -23.605 -15.634 1.00 1.44 C ATOM 542 OE1 GLU A 36 3.253 -23.862 -16.051 1.00 54.25 O ATOM 543 OE2 GLU A 36 5.309 -24.459 -15.555 1.00 53.52 O ATOM 0 H GLU A 36 3.836 -18.345 -17.127 1.00 32.51 H new ATOM 0 HA GLU A 36 2.520 -20.719 -16.159 1.00 32.54 H new ATOM 0 HB2 GLU A 36 4.473 -21.734 -17.278 1.00 32.42 H new ATOM 0 HB3 GLU A 36 5.551 -20.647 -16.426 1.00 32.42 H new ATOM 0 HG2 GLU A 36 5.712 -22.146 -14.776 1.00 33.43 H new ATOM 0 HG3 GLU A 36 4.017 -21.892 -14.409 1.00 33.43 H new ATOM 550 N GLU A 37 2.736 -19.692 -13.923 1.00 64.42 N ATOM 551 CA GLU A 37 2.778 -19.031 -12.624 1.00 62.41 C ATOM 552 C GLU A 37 3.428 -19.931 -11.577 1.00 11.14 C ATOM 553 O GLU A 37 3.295 -21.153 -11.625 1.00 31.44 O ATOM 554 CB GLU A 37 1.366 -18.647 -12.177 1.00 42.11 C ATOM 555 CG GLU A 37 0.491 -19.840 -11.831 1.00 4.03 C ATOM 556 CD GLU A 37 -0.522 -19.525 -10.748 1.00 31.44 C ATOM 557 OE1 GLU A 37 -1.228 -18.503 -10.876 1.00 33.23 O ATOM 558 OE2 GLU A 37 -0.609 -20.300 -9.772 1.00 71.34 O ATOM 0 H GLU A 37 1.977 -20.365 -14.030 1.00 64.42 H new ATOM 0 HA GLU A 37 3.378 -18.127 -12.724 1.00 62.41 H new ATOM 0 HB2 GLU A 37 1.435 -17.993 -11.308 1.00 42.11 H new ATOM 0 HB3 GLU A 37 0.886 -18.073 -12.970 1.00 42.11 H new ATOM 0 HG2 GLU A 37 -0.032 -20.174 -12.727 1.00 4.03 H new ATOM 0 HG3 GLU A 37 1.122 -20.666 -11.504 1.00 4.03 H new ATOM 565 N MET A 38 4.131 -19.316 -10.631 1.00 42.04 N ATOM 566 CA MET A 38 4.801 -20.061 -9.572 1.00 3.44 C ATOM 567 C MET A 38 4.006 -19.992 -8.272 1.00 12.41 C ATOM 568 O MET A 38 2.903 -19.446 -8.237 1.00 64.05 O ATOM 569 CB MET A 38 6.213 -19.514 -9.349 1.00 12.01 C ATOM 570 CG MET A 38 6.257 -18.007 -9.153 1.00 60.23 C ATOM 571 SD MET A 38 7.867 -17.428 -8.584 1.00 13.32 S ATOM 572 CE MET A 38 8.686 -17.116 -10.146 1.00 2.45 C ATOM 0 H MET A 38 4.251 -18.305 -10.577 1.00 42.04 H new ATOM 0 HA MET A 38 4.867 -21.104 -9.882 1.00 3.44 H new ATOM 0 HB2 MET A 38 6.648 -19.999 -8.475 1.00 12.01 H new ATOM 0 HB3 MET A 38 6.836 -19.779 -10.203 1.00 12.01 H new ATOM 0 HG2 MET A 38 6.010 -17.515 -10.094 1.00 60.23 H new ATOM 0 HG3 MET A 38 5.494 -17.716 -8.431 1.00 60.23 H new ATOM 0 HE1 MET A 38 9.577 -16.511 -9.975 1.00 2.45 H new ATOM 0 HE2 MET A 38 8.973 -18.064 -10.602 1.00 2.45 H new ATOM 0 HE3 MET A 38 8.008 -16.583 -10.812 1.00 2.45 H new ATOM 582 N GLU A 39 4.572 -20.548 -7.206 1.00 63.40 N ATOM 583 CA GLU A 39 3.914 -20.550 -5.905 1.00 72.10 C ATOM 584 C GLU A 39 4.935 -20.420 -4.778 1.00 53.53 C ATOM 585 O GLU A 39 6.100 -20.782 -4.936 1.00 75.22 O ATOM 586 CB GLU A 39 3.098 -21.832 -5.723 1.00 42.10 C ATOM 587 CG GLU A 39 1.732 -21.601 -5.099 1.00 41.33 C ATOM 588 CD GLU A 39 1.340 -22.698 -4.129 1.00 64.43 C ATOM 589 OE1 GLU A 39 1.626 -23.878 -4.421 1.00 72.50 O ATOM 590 OE2 GLU A 39 0.748 -22.377 -3.078 1.00 4.53 O ATOM 0 H GLU A 39 5.485 -21.003 -7.218 1.00 63.40 H new ATOM 0 HA GLU A 39 3.243 -19.692 -5.865 1.00 72.10 H new ATOM 0 HB2 GLU A 39 2.968 -22.311 -6.694 1.00 42.10 H new ATOM 0 HB3 GLU A 39 3.661 -22.525 -5.098 1.00 42.10 H new ATOM 0 HG2 GLU A 39 1.732 -20.644 -4.578 1.00 41.33 H new ATOM 0 HG3 GLU A 39 0.983 -21.534 -5.888 1.00 41.33 H new ATOM 597 N GLY A 40 4.488 -19.898 -3.640 1.00 14.41 N ATOM 598 CA GLY A 40 5.374 -19.727 -2.504 1.00 31.25 C ATOM 599 C GLY A 40 6.592 -18.889 -2.839 1.00 31.53 C ATOM 600 O GLY A 40 7.689 -19.148 -2.342 1.00 32.34 O ATOM 0 H GLY A 40 3.528 -19.591 -3.485 1.00 14.41 H new ATOM 0 HA2 GLY A 40 4.826 -19.256 -1.688 1.00 31.25 H new ATOM 0 HA3 GLY A 40 5.697 -20.706 -2.148 1.00 31.25 H new ATOM 604 N LEU A 41 6.401 -17.883 -3.685 1.00 22.40 N ATOM 605 CA LEU A 41 7.494 -17.005 -4.088 1.00 20.00 C ATOM 606 C LEU A 41 8.801 -17.782 -4.209 1.00 30.11 C ATOM 607 O LEU A 41 9.598 -17.823 -3.272 1.00 42.15 O ATOM 608 CB LEU A 41 7.656 -15.865 -3.081 1.00 24.33 C ATOM 609 CG LEU A 41 6.386 -15.086 -2.738 1.00 60.14 C ATOM 610 CD1 LEU A 41 6.434 -14.592 -1.301 1.00 31.32 C ATOM 611 CD2 LEU A 41 6.200 -13.920 -3.699 1.00 23.43 C ATOM 0 H LEU A 41 5.500 -17.655 -4.105 1.00 22.40 H new ATOM 0 HA LEU A 41 7.250 -16.587 -5.065 1.00 20.00 H new ATOM 0 HB2 LEU A 41 8.065 -16.277 -2.159 1.00 24.33 H new ATOM 0 HB3 LEU A 41 8.394 -15.164 -3.472 1.00 24.33 H new ATOM 0 HG LEU A 41 5.533 -15.756 -2.841 1.00 60.14 H new ATOM 0 HD11 LEU A 41 5.522 -14.040 -1.075 1.00 31.32 H new ATOM 0 HD12 LEU A 41 6.519 -15.444 -0.626 1.00 31.32 H new ATOM 0 HD13 LEU A 41 7.296 -13.938 -1.170 1.00 31.32 H new ATOM 0 HD21 LEU A 41 5.291 -13.377 -3.440 1.00 23.43 H new ATOM 0 HD22 LEU A 41 7.056 -13.250 -3.628 1.00 23.43 H new ATOM 0 HD23 LEU A 41 6.119 -14.298 -4.718 1.00 23.43 H new ATOM 623 N GLU A 42 9.014 -18.395 -5.369 1.00 71.21 N ATOM 624 CA GLU A 42 10.225 -19.170 -5.612 1.00 4.40 C ATOM 625 C GLU A 42 10.949 -18.671 -6.860 1.00 33.12 C ATOM 626 O GLU A 42 10.485 -17.751 -7.533 1.00 71.41 O ATOM 627 CB GLU A 42 9.886 -20.654 -5.764 1.00 45.03 C ATOM 628 CG GLU A 42 9.079 -20.969 -7.012 1.00 50.03 C ATOM 629 CD GLU A 42 8.806 -22.452 -7.171 1.00 53.04 C ATOM 630 OE1 GLU A 42 9.743 -23.252 -6.968 1.00 72.42 O ATOM 631 OE2 GLU A 42 7.656 -22.812 -7.499 1.00 60.22 O ATOM 0 H GLU A 42 8.364 -18.370 -6.155 1.00 71.21 H new ATOM 0 HA GLU A 42 10.886 -19.042 -4.754 1.00 4.40 H new ATOM 0 HB2 GLU A 42 10.812 -21.229 -5.785 1.00 45.03 H new ATOM 0 HB3 GLU A 42 9.327 -20.982 -4.888 1.00 45.03 H new ATOM 0 HG2 GLU A 42 8.132 -20.431 -6.973 1.00 50.03 H new ATOM 0 HG3 GLU A 42 9.616 -20.606 -7.889 1.00 50.03 H new ATOM 638 N ALA A 43 12.088 -19.285 -7.161 1.00 61.20 N ATOM 639 CA ALA A 43 12.875 -18.906 -8.328 1.00 2.33 C ATOM 640 C ALA A 43 12.372 -19.611 -9.583 1.00 11.15 C ATOM 641 O ALA A 43 12.710 -20.766 -9.835 1.00 21.50 O ATOM 642 CB ALA A 43 14.346 -19.220 -8.097 1.00 71.22 C ATOM 0 H ALA A 43 12.487 -20.047 -6.613 1.00 61.20 H new ATOM 0 HA ALA A 43 12.763 -17.832 -8.478 1.00 2.33 H new ATOM 0 HB1 ALA A 43 14.922 -18.932 -8.976 1.00 71.22 H new ATOM 0 HB2 ALA A 43 14.705 -18.665 -7.230 1.00 71.22 H new ATOM 0 HB3 ALA A 43 14.466 -20.289 -7.919 1.00 71.22 H new ATOM 648 N GLY A 44 11.560 -18.907 -10.366 1.00 65.14 N ATOM 649 CA GLY A 44 11.023 -19.483 -11.585 1.00 51.23 C ATOM 650 C GLY A 44 12.108 -19.872 -12.570 1.00 74.10 C ATOM 651 O GLY A 44 12.927 -20.747 -12.288 1.00 61.14 O ATOM 0 H GLY A 44 11.265 -17.949 -10.178 1.00 65.14 H new ATOM 0 HA2 GLY A 44 10.430 -20.363 -11.337 1.00 51.23 H new ATOM 0 HA3 GLY A 44 10.349 -18.767 -12.055 1.00 51.23 H new ATOM 655 N HIS A 45 12.113 -19.222 -13.730 1.00 31.43 N ATOM 656 CA HIS A 45 13.105 -19.506 -14.761 1.00 32.44 C ATOM 657 C HIS A 45 14.158 -18.404 -14.819 1.00 63.43 C ATOM 658 O HIS A 45 15.350 -18.663 -14.653 1.00 3.23 O ATOM 659 CB HIS A 45 12.427 -19.653 -16.123 1.00 63.44 C ATOM 660 CG HIS A 45 12.746 -20.943 -16.815 1.00 34.45 C ATOM 661 ND1 HIS A 45 12.506 -22.179 -16.250 1.00 42.42 N ATOM 662 CD2 HIS A 45 13.286 -21.186 -18.032 1.00 10.24 C ATOM 663 CE1 HIS A 45 12.887 -23.125 -17.090 1.00 2.14 C ATOM 664 NE2 HIS A 45 13.364 -22.549 -18.179 1.00 14.15 N ATOM 0 H HIS A 45 11.442 -18.496 -13.979 1.00 31.43 H new ATOM 0 HA HIS A 45 13.600 -20.443 -14.507 1.00 32.44 H new ATOM 0 HB2 HIS A 45 11.347 -19.578 -15.992 1.00 63.44 H new ATOM 0 HB3 HIS A 45 12.729 -18.823 -16.762 1.00 63.44 H new ATOM 0 HD2 HIS A 45 13.598 -20.445 -18.754 1.00 10.24 H new ATOM 0 HE1 HIS A 45 12.820 -24.189 -16.916 1.00 2.14 H new ATOM 0 HE2 HIS A 45 13.731 -23.037 -18.996 1.00 14.15 H new ATOM 672 N TRP A 46 13.711 -17.177 -15.058 1.00 35.13 N ATOM 673 CA TRP A 46 14.615 -16.036 -15.139 1.00 44.01 C ATOM 674 C TRP A 46 15.197 -15.704 -13.770 1.00 3.24 C ATOM 675 O TRP A 46 14.537 -15.879 -12.745 1.00 42.15 O ATOM 676 CB TRP A 46 13.883 -14.818 -15.705 1.00 44.01 C ATOM 677 CG TRP A 46 13.358 -15.032 -17.092 1.00 72.42 C ATOM 678 CD1 TRP A 46 14.054 -15.504 -18.168 1.00 74.54 C ATOM 679 CD2 TRP A 46 12.026 -14.781 -17.552 1.00 54.32 C ATOM 680 NE1 TRP A 46 13.234 -15.561 -19.270 1.00 20.31 N ATOM 681 CE2 TRP A 46 11.985 -15.124 -18.918 1.00 13.41 C ATOM 682 CE3 TRP A 46 10.863 -14.301 -16.943 1.00 71.22 C ATOM 683 CZ2 TRP A 46 10.827 -15.000 -19.682 1.00 21.13 C ATOM 684 CZ3 TRP A 46 9.715 -14.179 -17.703 1.00 11.13 C ATOM 685 CH2 TRP A 46 9.703 -14.528 -19.060 1.00 4.22 C ATOM 0 H TRP A 46 12.727 -16.946 -15.199 1.00 35.13 H new ATOM 0 HA TRP A 46 15.435 -16.301 -15.807 1.00 44.01 H new ATOM 0 HB2 TRP A 46 13.053 -14.563 -15.046 1.00 44.01 H new ATOM 0 HB3 TRP A 46 14.561 -13.965 -15.709 1.00 44.01 H new ATOM 0 HD1 TRP A 46 15.095 -15.790 -18.155 1.00 74.54 H new ATOM 0 HE1 TRP A 46 13.511 -15.878 -20.199 1.00 20.31 H new ATOM 0 HE3 TRP A 46 10.861 -14.030 -15.897 1.00 71.22 H new ATOM 0 HZ2 TRP A 46 10.816 -15.267 -20.728 1.00 21.13 H new ATOM 0 HZ3 TRP A 46 8.811 -13.808 -17.243 1.00 11.13 H new ATOM 0 HH2 TRP A 46 8.789 -14.423 -19.626 1.00 4.22 H new ATOM 696 N SER A 47 16.437 -15.224 -13.759 1.00 14.55 N ATOM 697 CA SER A 47 17.108 -14.870 -12.513 1.00 64.24 C ATOM 698 C SER A 47 18.192 -13.825 -12.759 1.00 24.04 C ATOM 699 O SER A 47 19.134 -14.058 -13.517 1.00 1.42 O ATOM 700 CB SER A 47 17.721 -16.115 -11.869 1.00 32.14 C ATOM 701 OG SER A 47 18.651 -16.735 -12.739 1.00 45.12 O ATOM 0 H SER A 47 16.997 -15.071 -14.598 1.00 14.55 H new ATOM 0 HA SER A 47 16.366 -14.447 -11.836 1.00 64.24 H new ATOM 0 HB2 SER A 47 18.217 -15.840 -10.938 1.00 32.14 H new ATOM 0 HB3 SER A 47 16.932 -16.822 -11.613 1.00 32.14 H new ATOM 0 HG SER A 47 19.000 -16.072 -13.371 1.00 45.12 H new ATOM 707 N ARG A 48 18.052 -12.673 -12.111 1.00 53.24 N ATOM 708 CA ARG A 48 19.017 -11.591 -12.259 1.00 43.44 C ATOM 709 C ARG A 48 18.888 -10.586 -11.118 1.00 33.42 C ATOM 710 O ARG A 48 17.850 -10.509 -10.461 1.00 35.34 O ATOM 711 CB ARG A 48 18.820 -10.882 -13.601 1.00 31.22 C ATOM 712 CG ARG A 48 20.119 -10.598 -14.336 1.00 42.15 C ATOM 713 CD ARG A 48 20.461 -9.116 -14.311 1.00 23.41 C ATOM 714 NE ARG A 48 21.663 -8.819 -15.086 1.00 55.42 N ATOM 715 CZ ARG A 48 22.895 -8.935 -14.605 1.00 63.34 C ATOM 716 NH1 ARG A 48 23.088 -9.342 -13.358 1.00 43.23 N ATOM 717 NH2 ARG A 48 23.938 -8.646 -15.373 1.00 3.51 N ATOM 0 H ARG A 48 17.279 -12.465 -11.478 1.00 53.24 H new ATOM 0 HA ARG A 48 20.017 -12.024 -12.228 1.00 43.44 H new ATOM 0 HB2 ARG A 48 18.180 -11.495 -14.236 1.00 31.22 H new ATOM 0 HB3 ARG A 48 18.295 -9.942 -13.432 1.00 31.22 H new ATOM 0 HG2 ARG A 48 20.929 -11.167 -13.879 1.00 42.15 H new ATOM 0 HG3 ARG A 48 20.035 -10.936 -15.369 1.00 42.15 H new ATOM 0 HD2 ARG A 48 19.623 -8.544 -14.708 1.00 23.41 H new ATOM 0 HD3 ARG A 48 20.606 -8.795 -13.280 1.00 23.41 H new ATOM 0 HE ARG A 48 21.550 -8.505 -16.050 1.00 55.42 H new ATOM 0 HH11 ARG A 48 22.289 -9.567 -12.765 1.00 43.23 H new ATOM 0 HH12 ARG A 48 24.036 -9.430 -12.991 1.00 43.23 H new ATOM 0 HH21 ARG A 48 23.793 -8.335 -16.333 1.00 3.51 H new ATOM 0 HH22 ARG A 48 24.884 -8.735 -15.003 1.00 3.51 H new ATOM 731 N ASP A 49 19.948 -9.820 -10.888 1.00 21.12 N ATOM 732 CA ASP A 49 19.953 -8.820 -9.826 1.00 61.32 C ATOM 733 C ASP A 49 20.728 -7.578 -10.254 1.00 0.34 C ATOM 734 O ASP A 49 21.934 -7.639 -10.493 1.00 43.31 O ATOM 735 CB ASP A 49 20.563 -9.403 -8.550 1.00 71.14 C ATOM 736 CG ASP A 49 19.656 -9.238 -7.347 1.00 54.31 C ATOM 737 OD1 ASP A 49 19.327 -8.082 -7.007 1.00 31.32 O ATOM 738 OD2 ASP A 49 19.275 -10.264 -6.745 1.00 51.21 O ATOM 0 H ASP A 49 20.815 -9.872 -11.422 1.00 21.12 H new ATOM 0 HA ASP A 49 18.921 -8.532 -9.627 1.00 61.32 H new ATOM 0 HB2 ASP A 49 20.772 -10.462 -8.702 1.00 71.14 H new ATOM 0 HB3 ASP A 49 21.517 -8.915 -8.351 1.00 71.14 H new ATOM 743 N ILE A 50 20.027 -6.453 -10.348 1.00 0.11 N ATOM 744 CA ILE A 50 20.650 -5.197 -10.746 1.00 54.45 C ATOM 745 C ILE A 50 20.975 -4.335 -9.531 1.00 41.34 C ATOM 746 O ILE A 50 20.081 -3.778 -8.893 1.00 21.33 O ATOM 747 CB ILE A 50 19.743 -4.397 -11.701 1.00 21.10 C ATOM 748 CG1 ILE A 50 19.240 -5.295 -12.833 1.00 51.11 C ATOM 749 CG2 ILE A 50 20.492 -3.198 -12.262 1.00 1.51 C ATOM 750 CD1 ILE A 50 20.335 -5.763 -13.766 1.00 3.34 C ATOM 0 H ILE A 50 19.028 -6.386 -10.154 1.00 0.11 H new ATOM 0 HA ILE A 50 21.574 -5.453 -11.264 1.00 54.45 H new ATOM 0 HB ILE A 50 18.882 -4.033 -11.141 1.00 21.10 H new ATOM 0 HG12 ILE A 50 18.744 -6.165 -12.402 1.00 51.11 H new ATOM 0 HG13 ILE A 50 18.490 -4.753 -13.409 1.00 51.11 H new ATOM 0 HG21 ILE A 50 19.838 -2.643 -12.935 1.00 1.51 H new ATOM 0 HG22 ILE A 50 20.806 -2.550 -11.444 1.00 1.51 H new ATOM 0 HG23 ILE A 50 21.370 -3.541 -12.810 1.00 1.51 H new ATOM 0 HD11 ILE A 50 19.905 -6.395 -14.543 1.00 3.34 H new ATOM 0 HD12 ILE A 50 20.816 -4.899 -14.225 1.00 3.34 H new ATOM 0 HD13 ILE A 50 21.074 -6.333 -13.203 1.00 3.34 H new ATOM 762 N THR A 51 22.262 -4.226 -9.217 1.00 64.32 N ATOM 763 CA THR A 51 22.707 -3.432 -8.079 1.00 41.54 C ATOM 764 C THR A 51 23.175 -2.050 -8.523 1.00 23.31 C ATOM 765 O THR A 51 24.074 -1.464 -7.919 1.00 62.33 O ATOM 766 CB THR A 51 23.851 -4.129 -7.320 1.00 20.35 C ATOM 767 OG1 THR A 51 24.916 -4.449 -8.222 1.00 54.24 O ATOM 768 CG2 THR A 51 23.356 -5.398 -6.642 1.00 72.22 C ATOM 0 H THR A 51 23.015 -4.678 -9.736 1.00 64.32 H new ATOM 0 HA THR A 51 21.851 -3.327 -7.413 1.00 41.54 H new ATOM 0 HB THR A 51 24.218 -3.445 -6.554 1.00 20.35 H new ATOM 0 HG1 THR A 51 25.640 -4.890 -7.730 1.00 54.24 H new ATOM 0 HG21 THR A 51 24.182 -5.873 -6.112 1.00 72.22 H new ATOM 0 HG22 THR A 51 22.566 -5.148 -5.934 1.00 72.22 H new ATOM 0 HG23 THR A 51 22.965 -6.083 -7.394 1.00 72.22 H new ATOM 776 N LYS A 52 22.560 -1.534 -9.581 1.00 51.31 N ATOM 777 CA LYS A 52 22.912 -0.219 -10.105 1.00 74.44 C ATOM 778 C LYS A 52 21.994 0.169 -11.260 1.00 14.42 C ATOM 779 O LYS A 52 21.983 -0.462 -12.316 1.00 65.54 O ATOM 780 CB LYS A 52 24.369 -0.207 -10.572 1.00 70.24 C ATOM 781 CG LYS A 52 24.726 1.001 -11.421 1.00 74.22 C ATOM 782 CD LYS A 52 26.157 1.450 -11.178 1.00 55.40 C ATOM 783 CE LYS A 52 26.206 2.819 -10.516 1.00 50.04 C ATOM 784 NZ LYS A 52 27.214 2.870 -9.422 1.00 21.34 N ATOM 0 H LYS A 52 21.815 -2.006 -10.093 1.00 51.31 H new ATOM 0 HA LYS A 52 22.788 0.510 -9.304 1.00 74.44 H new ATOM 0 HB2 LYS A 52 25.022 -0.233 -9.699 1.00 70.24 H new ATOM 0 HB3 LYS A 52 24.566 -1.114 -11.144 1.00 70.24 H new ATOM 0 HG2 LYS A 52 24.594 0.758 -12.475 1.00 74.22 H new ATOM 0 HG3 LYS A 52 24.043 1.820 -11.195 1.00 74.22 H new ATOM 0 HD2 LYS A 52 26.666 0.721 -10.547 1.00 55.40 H new ATOM 0 HD3 LYS A 52 26.695 1.483 -12.125 1.00 55.40 H new ATOM 0 HE2 LYS A 52 26.443 3.576 -11.264 1.00 50.04 H new ATOM 0 HE3 LYS A 52 25.222 3.064 -10.115 1.00 50.04 H new ATOM 0 HZ1 LYS A 52 27.217 3.819 -8.996 1.00 21.34 H new ATOM 0 HZ2 LYS A 52 26.974 2.165 -8.696 1.00 21.34 H new ATOM 0 HZ3 LYS A 52 28.157 2.661 -9.809 1.00 21.34 H new ATOM 798 N PRO A 53 21.204 1.235 -11.056 1.00 64.25 N ATOM 799 CA PRO A 53 20.270 1.733 -12.070 1.00 71.32 C ATOM 800 C PRO A 53 20.986 2.367 -13.257 1.00 45.13 C ATOM 801 O PRO A 53 22.214 2.453 -13.281 1.00 65.03 O ATOM 802 CB PRO A 53 19.454 2.784 -11.314 1.00 74.13 C ATOM 803 CG PRO A 53 20.347 3.236 -10.211 1.00 41.34 C ATOM 804 CD PRO A 53 21.164 2.036 -9.821 1.00 60.44 C ATOM 0 HA PRO A 53 19.667 0.932 -12.498 1.00 71.32 H new ATOM 0 HB2 PRO A 53 19.178 3.614 -11.965 1.00 74.13 H new ATOM 0 HB3 PRO A 53 18.528 2.361 -10.925 1.00 74.13 H new ATOM 0 HG2 PRO A 53 20.988 4.055 -10.539 1.00 41.34 H new ATOM 0 HG3 PRO A 53 19.767 3.604 -9.365 1.00 41.34 H new ATOM 0 HD2 PRO A 53 22.164 2.320 -9.494 1.00 60.44 H new ATOM 0 HD3 PRO A 53 20.704 1.486 -9.000 1.00 60.44 H new ATOM 812 N LYS A 54 20.212 2.811 -14.241 1.00 40.34 N ATOM 813 CA LYS A 54 20.772 3.440 -15.432 1.00 12.11 C ATOM 814 C LYS A 54 19.674 4.076 -16.279 1.00 0.24 C ATOM 815 O LYS A 54 18.642 3.460 -16.538 1.00 35.43 O ATOM 816 CB LYS A 54 21.540 2.411 -16.264 1.00 24.12 C ATOM 817 CG LYS A 54 20.695 1.737 -17.330 1.00 35.40 C ATOM 818 CD LYS A 54 19.619 0.858 -16.715 1.00 35.43 C ATOM 819 CE LYS A 54 20.144 -0.537 -16.410 1.00 45.33 C ATOM 820 NZ LYS A 54 20.809 -0.600 -15.079 1.00 62.33 N ATOM 0 H LYS A 54 19.194 2.747 -14.238 1.00 40.34 H new ATOM 0 HA LYS A 54 21.458 4.223 -15.110 1.00 12.11 H new ATOM 0 HB2 LYS A 54 22.388 2.902 -16.741 1.00 24.12 H new ATOM 0 HB3 LYS A 54 21.946 1.649 -15.599 1.00 24.12 H new ATOM 0 HG2 LYS A 54 20.230 2.495 -17.961 1.00 35.40 H new ATOM 0 HG3 LYS A 54 21.334 1.134 -17.975 1.00 35.40 H new ATOM 0 HD2 LYS A 54 19.252 1.318 -15.798 1.00 35.43 H new ATOM 0 HD3 LYS A 54 18.772 0.788 -17.397 1.00 35.43 H new ATOM 0 HE2 LYS A 54 19.320 -1.250 -16.438 1.00 45.33 H new ATOM 0 HE3 LYS A 54 20.851 -0.836 -17.184 1.00 45.33 H new ATOM 0 HZ1 LYS A 54 20.685 -1.550 -14.674 1.00 62.33 H new ATOM 0 HZ2 LYS A 54 21.824 -0.400 -15.188 1.00 62.33 H new ATOM 0 HZ3 LYS A 54 20.383 0.106 -14.445 1.00 62.33 H new ATOM 834 N ASN A 55 19.905 5.313 -16.708 1.00 25.42 N ATOM 835 CA ASN A 55 18.936 6.031 -17.526 1.00 51.54 C ATOM 836 C ASN A 55 17.845 6.652 -16.659 1.00 31.43 C ATOM 837 O ASN A 55 16.852 7.169 -17.168 1.00 14.24 O ATOM 838 CB ASN A 55 18.310 5.090 -18.557 1.00 52.02 C ATOM 839 CG ASN A 55 17.930 5.806 -19.839 1.00 11.22 C ATOM 840 OD1 ASN A 55 17.552 6.978 -19.820 1.00 31.34 O ATOM 841 ND2 ASN A 55 18.029 5.103 -20.961 1.00 12.11 N ATOM 0 H ASN A 55 20.755 5.838 -16.502 1.00 25.42 H new ATOM 0 HA ASN A 55 19.461 6.832 -18.047 1.00 51.54 H new ATOM 0 HB2 ASN A 55 19.012 4.288 -18.786 1.00 52.02 H new ATOM 0 HB3 ASN A 55 17.423 4.624 -18.128 1.00 52.02 H new ATOM 0 HD21 ASN A 55 17.787 5.532 -21.854 1.00 12.11 H new ATOM 0 HD22 ASN A 55 18.347 4.134 -20.930 1.00 12.11 H new ATOM 848 N GLY A 56 18.038 6.596 -15.344 1.00 61.43 N ATOM 849 CA GLY A 56 17.063 7.155 -14.427 1.00 2.53 C ATOM 850 C GLY A 56 16.252 6.088 -13.720 1.00 23.43 C ATOM 851 O GLY A 56 15.611 6.357 -12.704 1.00 74.21 O ATOM 0 H GLY A 56 18.852 6.173 -14.898 1.00 61.43 H new ATOM 0 HA2 GLY A 56 17.576 7.768 -13.686 1.00 2.53 H new ATOM 0 HA3 GLY A 56 16.390 7.815 -14.975 1.00 2.53 H new ATOM 855 N ARG A 57 16.279 4.873 -14.258 1.00 63.11 N ATOM 856 CA ARG A 57 15.539 3.761 -13.674 1.00 14.54 C ATOM 857 C ARG A 57 16.303 2.451 -13.841 1.00 14.22 C ATOM 858 O ARG A 57 17.360 2.414 -14.471 1.00 34.24 O ATOM 859 CB ARG A 57 14.157 3.645 -14.321 1.00 3.03 C ATOM 860 CG ARG A 57 13.842 4.771 -15.291 1.00 45.53 C ATOM 861 CD ARG A 57 12.708 4.396 -16.231 1.00 72.14 C ATOM 862 NE ARG A 57 11.698 5.448 -16.318 1.00 61.52 N ATOM 863 CZ ARG A 57 11.830 6.533 -17.073 1.00 22.40 C ATOM 864 NH1 ARG A 57 12.923 6.708 -17.803 1.00 22.34 N ATOM 865 NH2 ARG A 57 10.867 7.445 -17.099 1.00 42.22 N ATOM 0 H ARG A 57 16.806 4.634 -15.098 1.00 63.11 H new ATOM 0 HA ARG A 57 15.419 3.957 -12.609 1.00 14.54 H new ATOM 0 HB2 ARG A 57 14.091 2.693 -14.848 1.00 3.03 H new ATOM 0 HB3 ARG A 57 13.399 3.629 -13.538 1.00 3.03 H new ATOM 0 HG2 ARG A 57 13.572 5.668 -14.734 1.00 45.53 H new ATOM 0 HG3 ARG A 57 14.732 5.012 -15.872 1.00 45.53 H new ATOM 0 HD2 ARG A 57 13.111 4.198 -17.224 1.00 72.14 H new ATOM 0 HD3 ARG A 57 12.241 3.473 -15.886 1.00 72.14 H new ATOM 0 HE ARG A 57 10.845 5.344 -15.769 1.00 61.52 H new ATOM 0 HH11 ARG A 57 13.665 6.009 -17.786 1.00 22.34 H new ATOM 0 HH12 ARG A 57 13.022 7.542 -18.382 1.00 22.34 H new ATOM 0 HH21 ARG A 57 10.025 7.313 -16.539 1.00 42.22 H new ATOM 0 HH22 ARG A 57 10.969 8.278 -17.679 1.00 42.22 H new ATOM 879 N TRP A 58 15.761 1.380 -13.273 1.00 13.23 N ATOM 880 CA TRP A 58 16.392 0.068 -13.358 1.00 52.04 C ATOM 881 C TRP A 58 15.843 -0.724 -14.540 1.00 52.21 C ATOM 882 O TRP A 58 14.702 -1.186 -14.512 1.00 71.24 O ATOM 883 CB TRP A 58 16.173 -0.711 -12.061 1.00 23.54 C ATOM 884 CG TRP A 58 16.416 0.107 -10.828 1.00 71.54 C ATOM 885 CD1 TRP A 58 15.669 1.160 -10.384 1.00 31.23 C ATOM 886 CD2 TRP A 58 17.479 -0.061 -9.884 1.00 43.34 C ATOM 887 NE1 TRP A 58 16.204 1.657 -9.220 1.00 51.50 N ATOM 888 CE2 TRP A 58 17.314 0.926 -8.892 1.00 64.42 C ATOM 889 CE3 TRP A 58 18.553 -0.949 -9.779 1.00 42.44 C ATOM 890 CZ2 TRP A 58 18.185 1.047 -7.812 1.00 55.11 C ATOM 891 CZ3 TRP A 58 19.416 -0.826 -8.707 1.00 20.40 C ATOM 892 CH2 TRP A 58 19.227 0.165 -7.734 1.00 64.45 C ATOM 0 H TRP A 58 14.886 1.394 -12.749 1.00 13.23 H new ATOM 0 HA TRP A 58 17.461 0.216 -13.508 1.00 52.04 H new ATOM 0 HB2 TRP A 58 15.151 -1.090 -12.041 1.00 23.54 H new ATOM 0 HB3 TRP A 58 16.834 -1.577 -12.050 1.00 23.54 H new ATOM 0 HD1 TRP A 58 14.788 1.545 -10.875 1.00 31.23 H new ATOM 0 HE1 TRP A 58 15.834 2.444 -8.686 1.00 51.50 H new ATOM 0 HE3 TRP A 58 18.706 -1.717 -10.522 1.00 42.44 H new ATOM 0 HZ2 TRP A 58 18.042 1.811 -7.062 1.00 55.11 H new ATOM 0 HZ3 TRP A 58 20.251 -1.505 -8.617 1.00 20.40 H new ATOM 0 HH2 TRP A 58 19.918 0.233 -6.907 1.00 64.45 H new ATOM 903 N ILE A 59 16.661 -0.877 -15.576 1.00 1.43 N ATOM 904 CA ILE A 59 16.256 -1.614 -16.766 1.00 64.11 C ATOM 905 C ILE A 59 16.940 -2.976 -16.828 1.00 43.41 C ATOM 906 O ILE A 59 18.082 -3.129 -16.393 1.00 33.51 O ATOM 907 CB ILE A 59 16.581 -0.830 -18.051 1.00 72.24 C ATOM 908 CG1 ILE A 59 16.095 0.616 -17.929 1.00 61.44 C ATOM 909 CG2 ILE A 59 15.949 -1.507 -19.258 1.00 54.04 C ATOM 910 CD1 ILE A 59 16.855 1.584 -18.808 1.00 52.51 C ATOM 0 H ILE A 59 17.608 -0.500 -15.615 1.00 1.43 H new ATOM 0 HA ILE A 59 15.177 -1.754 -16.699 1.00 64.11 H new ATOM 0 HB ILE A 59 17.662 -0.819 -18.189 1.00 72.24 H new ATOM 0 HG12 ILE A 59 15.037 0.658 -18.186 1.00 61.44 H new ATOM 0 HG13 ILE A 59 16.184 0.934 -16.890 1.00 61.44 H new ATOM 0 HG21 ILE A 59 16.187 -0.941 -20.159 1.00 54.04 H new ATOM 0 HG22 ILE A 59 16.339 -2.521 -19.352 1.00 54.04 H new ATOM 0 HG23 ILE A 59 14.867 -1.545 -19.129 1.00 54.04 H new ATOM 0 HD11 ILE A 59 16.457 2.590 -18.670 1.00 52.51 H new ATOM 0 HD12 ILE A 59 17.910 1.571 -18.536 1.00 52.51 H new ATOM 0 HD13 ILE A 59 16.746 1.290 -19.852 1.00 52.51 H new ATOM 922 N PHE A 60 16.235 -3.961 -17.374 1.00 25.34 N ATOM 923 CA PHE A 60 16.775 -5.311 -17.494 1.00 53.10 C ATOM 924 C PHE A 60 16.467 -5.899 -18.868 1.00 32.00 C ATOM 925 O PHE A 60 15.407 -5.646 -19.440 1.00 55.40 O ATOM 926 CB PHE A 60 16.199 -6.212 -16.400 1.00 73.51 C ATOM 927 CG PHE A 60 16.583 -7.657 -16.550 1.00 12.22 C ATOM 928 CD1 PHE A 60 17.912 -8.023 -16.687 1.00 31.34 C ATOM 929 CD2 PHE A 60 15.614 -8.648 -16.554 1.00 45.13 C ATOM 930 CE1 PHE A 60 18.269 -9.352 -16.824 1.00 51.42 C ATOM 931 CE2 PHE A 60 15.965 -9.978 -16.691 1.00 44.30 C ATOM 932 CZ PHE A 60 17.294 -10.330 -16.827 1.00 40.14 C ATOM 0 H PHE A 60 15.289 -3.850 -17.740 1.00 25.34 H new ATOM 0 HA PHE A 60 17.857 -5.255 -17.376 1.00 53.10 H new ATOM 0 HB2 PHE A 60 16.539 -5.853 -15.428 1.00 73.51 H new ATOM 0 HB3 PHE A 60 15.112 -6.130 -16.408 1.00 73.51 H new ATOM 0 HD1 PHE A 60 18.678 -7.262 -16.687 1.00 31.34 H new ATOM 0 HD2 PHE A 60 14.574 -8.378 -16.449 1.00 45.13 H new ATOM 0 HE1 PHE A 60 19.309 -9.625 -16.928 1.00 51.42 H new ATOM 0 HE2 PHE A 60 15.201 -10.741 -16.692 1.00 44.30 H new ATOM 0 HZ PHE A 60 17.570 -11.368 -16.936 1.00 40.14 H new ATOM 942 N ARG A 61 17.402 -6.685 -19.392 1.00 32.05 N ATOM 943 CA ARG A 61 17.232 -7.308 -20.699 1.00 2.03 C ATOM 944 C ARG A 61 17.634 -8.779 -20.656 1.00 64.31 C ATOM 945 O ARG A 61 18.684 -9.131 -20.118 1.00 3.33 O ATOM 946 CB ARG A 61 18.064 -6.571 -21.750 1.00 73.13 C ATOM 947 CG ARG A 61 17.671 -5.113 -21.925 1.00 70.33 C ATOM 948 CD ARG A 61 18.606 -4.189 -21.161 1.00 50.12 C ATOM 949 NE ARG A 61 19.262 -3.225 -22.041 1.00 30.03 N ATOM 950 CZ ARG A 61 19.852 -2.117 -21.607 1.00 15.34 C ATOM 951 NH1 ARG A 61 19.867 -1.834 -20.311 1.00 44.03 N ATOM 952 NH2 ARG A 61 20.427 -1.289 -22.469 1.00 4.42 N ATOM 0 H ARG A 61 18.285 -6.905 -18.931 1.00 32.05 H new ATOM 0 HA ARG A 61 16.178 -7.245 -20.970 1.00 2.03 H new ATOM 0 HB2 ARG A 61 19.116 -6.624 -21.471 1.00 73.13 H new ATOM 0 HB3 ARG A 61 17.962 -7.083 -22.707 1.00 73.13 H new ATOM 0 HG2 ARG A 61 17.688 -4.855 -22.984 1.00 70.33 H new ATOM 0 HG3 ARG A 61 16.648 -4.966 -21.577 1.00 70.33 H new ATOM 0 HD2 ARG A 61 18.043 -3.656 -20.395 1.00 50.12 H new ATOM 0 HD3 ARG A 61 19.361 -4.783 -20.646 1.00 50.12 H new ATOM 0 HE ARG A 61 19.267 -3.413 -23.043 1.00 30.03 H new ATOM 0 HH11 ARG A 61 19.425 -2.468 -19.645 1.00 44.03 H new ATOM 0 HH12 ARG A 61 20.321 -0.983 -19.980 1.00 44.03 H new ATOM 0 HH21 ARG A 61 20.416 -1.503 -23.466 1.00 4.42 H new ATOM 0 HH22 ARG A 61 20.880 -0.438 -22.135 1.00 4.42 H new ATOM 966 N ASP A 62 16.792 -9.634 -21.226 1.00 64.03 N ATOM 967 CA ASP A 62 17.060 -11.067 -21.254 1.00 70.31 C ATOM 968 C ASP A 62 17.172 -11.571 -22.690 1.00 33.54 C ATOM 969 O ASP A 62 16.619 -10.973 -23.613 1.00 32.33 O ATOM 970 CB ASP A 62 15.956 -11.828 -20.518 1.00 24.24 C ATOM 971 CG ASP A 62 16.436 -12.419 -19.206 1.00 43.24 C ATOM 972 OD1 ASP A 62 17.613 -12.831 -19.137 1.00 51.22 O ATOM 973 OD2 ASP A 62 15.635 -12.470 -18.250 1.00 10.34 O ATOM 0 H ASP A 62 15.918 -9.360 -21.675 1.00 64.03 H new ATOM 0 HA ASP A 62 18.010 -11.244 -20.751 1.00 70.31 H new ATOM 0 HB2 ASP A 62 15.121 -11.155 -20.326 1.00 24.24 H new ATOM 0 HB3 ASP A 62 15.581 -12.627 -21.158 1.00 24.24 H new ATOM 978 N ARG A 63 17.891 -12.674 -22.870 1.00 21.33 N ATOM 979 CA ARG A 63 18.077 -13.257 -24.193 1.00 22.41 C ATOM 980 C ARG A 63 17.604 -14.708 -24.219 1.00 54.35 C ATOM 981 O ARG A 63 18.254 -15.573 -24.804 1.00 41.32 O ATOM 982 CB ARG A 63 19.549 -13.183 -24.604 1.00 52.31 C ATOM 983 CG ARG A 63 19.958 -11.829 -25.161 1.00 13.33 C ATOM 984 CD ARG A 63 20.475 -11.945 -26.586 1.00 23.42 C ATOM 985 NE ARG A 63 20.754 -10.639 -27.175 1.00 44.25 N ATOM 986 CZ ARG A 63 21.447 -10.471 -28.297 1.00 32.33 C ATOM 987 NH1 ARG A 63 21.927 -11.523 -28.946 1.00 45.52 N ATOM 988 NH2 ARG A 63 21.659 -9.250 -28.771 1.00 21.34 N ATOM 0 H ARG A 63 18.354 -13.182 -22.116 1.00 21.33 H new ATOM 0 HA ARG A 63 17.479 -12.684 -24.902 1.00 22.41 H new ATOM 0 HB2 ARG A 63 20.171 -13.414 -23.739 1.00 52.31 H new ATOM 0 HB3 ARG A 63 19.747 -13.950 -25.353 1.00 52.31 H new ATOM 0 HG2 ARG A 63 19.104 -11.152 -25.137 1.00 13.33 H new ATOM 0 HG3 ARG A 63 20.730 -11.392 -24.527 1.00 13.33 H new ATOM 0 HD2 ARG A 63 21.383 -12.548 -26.594 1.00 23.42 H new ATOM 0 HD3 ARG A 63 19.740 -12.468 -27.197 1.00 23.42 H new ATOM 0 HE ARG A 63 20.398 -9.810 -26.700 1.00 44.25 H new ATOM 0 HH11 ARG A 63 21.765 -12.463 -28.585 1.00 45.52 H new ATOM 0 HH12 ARG A 63 22.458 -11.392 -29.807 1.00 45.52 H new ATOM 0 HH21 ARG A 63 21.290 -8.439 -28.274 1.00 21.34 H new ATOM 0 HH22 ARG A 63 22.191 -9.122 -29.632 1.00 21.34 H new ATOM 1002 N ASN A 64 16.466 -14.965 -23.581 1.00 64.24 N ATOM 1003 CA ASN A 64 15.906 -16.311 -23.531 1.00 2.31 C ATOM 1004 C ASN A 64 14.393 -16.263 -23.346 1.00 35.14 C ATOM 1005 O ASN A 64 13.787 -17.214 -22.852 1.00 3.14 O ATOM 1006 CB ASN A 64 16.546 -17.110 -22.393 1.00 54.44 C ATOM 1007 CG ASN A 64 16.130 -16.603 -21.026 1.00 13.30 C ATOM 1008 OD1 ASN A 64 16.586 -15.406 -20.675 1.00 2.03 O flip ATOM 1009 ND2 ASN A 64 15.406 -17.279 -20.295 1.00 24.34 N flip ATOM 0 H ASN A 64 15.914 -14.260 -23.092 1.00 64.24 H new ATOM 0 HA ASN A 64 16.123 -16.804 -24.479 1.00 2.31 H new ATOM 0 HB2 ASN A 64 16.268 -18.160 -22.488 1.00 54.44 H new ATOM 0 HB3 ASN A 64 17.631 -17.058 -22.482 1.00 54.44 H new ATOM 0 HD21 ASN A 64 15.079 -18.194 -20.606 1.00 24.34 H new ATOM 0 HD22 ASN A 64 15.133 -16.924 -19.378 1.00 24.34 H new ATOM 1016 N ALA A 65 13.788 -15.150 -23.746 1.00 14.51 N ATOM 1017 CA ALA A 65 12.345 -14.979 -23.627 1.00 10.43 C ATOM 1018 C ALA A 65 11.693 -14.842 -24.998 1.00 42.44 C ATOM 1019 O ALA A 65 11.604 -13.743 -25.546 1.00 75.45 O ATOM 1020 CB ALA A 65 12.027 -13.765 -22.765 1.00 73.53 C ATOM 0 H ALA A 65 14.275 -14.353 -24.156 1.00 14.51 H new ATOM 0 HA ALA A 65 11.937 -15.869 -23.148 1.00 10.43 H new ATOM 0 HB1 ALA A 65 10.946 -13.649 -22.684 1.00 73.53 H new ATOM 0 HB2 ALA A 65 12.452 -13.903 -21.771 1.00 73.53 H new ATOM 0 HB3 ALA A 65 12.455 -12.872 -23.222 1.00 73.53 H new ATOM 1026 N ALA A 66 11.240 -15.964 -25.548 1.00 2.31 N ATOM 1027 CA ALA A 66 10.596 -15.968 -26.855 1.00 55.02 C ATOM 1028 C ALA A 66 9.092 -15.749 -26.727 1.00 11.15 C ATOM 1029 O ALA A 66 8.310 -16.700 -26.760 1.00 64.42 O ATOM 1030 CB ALA A 66 10.880 -17.275 -27.580 1.00 23.22 C ATOM 0 H ALA A 66 11.307 -16.882 -25.108 1.00 2.31 H new ATOM 0 HA ALA A 66 11.009 -15.145 -27.438 1.00 55.02 H new ATOM 0 HB1 ALA A 66 10.393 -17.264 -28.555 1.00 23.22 H new ATOM 0 HB2 ALA A 66 11.956 -17.391 -27.713 1.00 23.22 H new ATOM 0 HB3 ALA A 66 10.496 -18.108 -26.992 1.00 23.22 H new ATOM 1036 N LEU A 67 8.693 -14.491 -26.578 1.00 52.44 N ATOM 1037 CA LEU A 67 7.282 -14.146 -26.444 1.00 35.41 C ATOM 1038 C LEU A 67 6.852 -13.174 -27.538 1.00 35.14 C ATOM 1039 O LEU A 67 7.681 -12.659 -28.288 1.00 23.44 O ATOM 1040 CB LEU A 67 7.015 -13.534 -25.068 1.00 34.23 C ATOM 1041 CG LEU A 67 7.450 -12.080 -24.884 1.00 51.01 C ATOM 1042 CD1 LEU A 67 6.470 -11.338 -23.988 1.00 70.51 C ATOM 1043 CD2 LEU A 67 8.857 -12.013 -24.309 1.00 21.13 C ATOM 0 H LEU A 67 9.327 -13.692 -26.547 1.00 52.44 H new ATOM 0 HA LEU A 67 6.699 -15.061 -26.547 1.00 35.41 H new ATOM 0 HB2 LEU A 67 5.946 -13.601 -24.864 1.00 34.23 H new ATOM 0 HB3 LEU A 67 7.521 -14.141 -24.318 1.00 34.23 H new ATOM 0 HG LEU A 67 7.455 -11.596 -25.861 1.00 51.01 H new ATOM 0 HD11 LEU A 67 6.796 -10.305 -23.869 1.00 70.51 H new ATOM 0 HD12 LEU A 67 5.478 -11.355 -24.440 1.00 70.51 H new ATOM 0 HD13 LEU A 67 6.432 -11.821 -23.012 1.00 70.51 H new ATOM 0 HD21 LEU A 67 9.150 -10.971 -24.185 1.00 21.13 H new ATOM 0 HD22 LEU A 67 8.879 -12.514 -23.341 1.00 21.13 H new ATOM 0 HD23 LEU A 67 9.552 -12.507 -24.989 1.00 21.13 H new ATOM 1055 N LYS A 68 5.549 -12.925 -27.622 1.00 1.11 N ATOM 1056 CA LYS A 68 5.007 -12.012 -28.621 1.00 44.51 C ATOM 1057 C LYS A 68 3.645 -11.479 -28.190 1.00 34.42 C ATOM 1058 O LYS A 68 2.814 -12.224 -27.669 1.00 33.21 O ATOM 1059 CB LYS A 68 4.887 -12.716 -29.974 1.00 73.41 C ATOM 1060 CG LYS A 68 3.997 -13.947 -29.942 1.00 14.34 C ATOM 1061 CD LYS A 68 4.810 -15.219 -29.774 1.00 20.12 C ATOM 1062 CE LYS A 68 4.023 -16.445 -30.210 1.00 60.42 C ATOM 1063 NZ LYS A 68 4.438 -17.665 -29.464 1.00 62.41 N ATOM 0 H LYS A 68 4.849 -13.343 -27.010 1.00 1.11 H new ATOM 0 HA LYS A 68 5.693 -11.170 -28.716 1.00 44.51 H new ATOM 0 HB2 LYS A 68 4.493 -12.012 -30.707 1.00 73.41 H new ATOM 0 HB3 LYS A 68 5.882 -13.006 -30.313 1.00 73.41 H new ATOM 0 HG2 LYS A 68 3.283 -13.860 -29.123 1.00 14.34 H new ATOM 0 HG3 LYS A 68 3.419 -14.003 -30.864 1.00 14.34 H new ATOM 0 HD2 LYS A 68 5.726 -15.146 -30.360 1.00 20.12 H new ATOM 0 HD3 LYS A 68 5.106 -15.328 -28.731 1.00 20.12 H new ATOM 0 HE2 LYS A 68 2.959 -16.268 -30.053 1.00 60.42 H new ATOM 0 HE3 LYS A 68 4.165 -16.607 -31.278 1.00 60.42 H new ATOM 0 HZ1 LYS A 68 3.878 -18.479 -29.790 1.00 62.41 H new ATOM 0 HZ2 LYS A 68 5.447 -17.849 -29.633 1.00 62.41 H new ATOM 0 HZ3 LYS A 68 4.278 -17.521 -28.446 1.00 62.41 H new ATOM 1077 N ILE A 69 3.422 -10.188 -28.411 1.00 75.41 N ATOM 1078 CA ILE A 69 2.158 -9.559 -28.047 1.00 43.55 C ATOM 1079 C ILE A 69 1.039 -10.589 -27.947 1.00 71.24 C ATOM 1080 O ILE A 69 0.699 -11.249 -28.928 1.00 52.15 O ATOM 1081 CB ILE A 69 1.755 -8.476 -29.066 1.00 71.43 C ATOM 1082 CG1 ILE A 69 2.770 -7.331 -29.056 1.00 33.25 C ATOM 1083 CG2 ILE A 69 0.358 -7.956 -28.762 1.00 20.44 C ATOM 1084 CD1 ILE A 69 2.409 -6.213 -28.102 1.00 63.52 C ATOM 0 H ILE A 69 4.099 -9.557 -28.840 1.00 75.41 H new ATOM 0 HA ILE A 69 2.306 -9.093 -27.073 1.00 43.55 H new ATOM 0 HB ILE A 69 1.747 -8.920 -30.061 1.00 71.43 H new ATOM 0 HG12 ILE A 69 3.749 -7.726 -28.786 1.00 33.25 H new ATOM 0 HG13 ILE A 69 2.857 -6.924 -30.064 1.00 33.25 H new ATOM 0 HG21 ILE A 69 0.088 -7.192 -29.491 1.00 20.44 H new ATOM 0 HG22 ILE A 69 -0.356 -8.778 -28.816 1.00 20.44 H new ATOM 0 HG23 ILE A 69 0.340 -7.525 -27.761 1.00 20.44 H new ATOM 0 HD11 ILE A 69 3.172 -5.436 -28.147 1.00 63.52 H new ATOM 0 HD12 ILE A 69 1.444 -5.791 -28.384 1.00 63.52 H new ATOM 0 HD13 ILE A 69 2.350 -6.606 -27.087 1.00 63.52 H new ATOM 1096 N GLY A 70 0.468 -10.721 -26.754 1.00 11.02 N ATOM 1097 CA GLY A 70 -0.609 -11.672 -26.548 1.00 2.15 C ATOM 1098 C GLY A 70 -0.319 -12.640 -25.418 1.00 24.20 C ATOM 1099 O GLY A 70 -1.228 -13.284 -24.894 1.00 10.41 O ATOM 0 H GLY A 70 0.732 -10.186 -25.926 1.00 11.02 H new ATOM 0 HA2 GLY A 70 -1.531 -11.131 -26.332 1.00 2.15 H new ATOM 0 HA3 GLY A 70 -0.776 -12.232 -27.468 1.00 2.15 H new ATOM 1103 N ASP A 71 0.951 -12.746 -25.043 1.00 44.31 N ATOM 1104 CA ASP A 71 1.359 -13.643 -23.969 1.00 24.44 C ATOM 1105 C ASP A 71 1.041 -13.039 -22.605 1.00 1.52 C ATOM 1106 O ASP A 71 0.337 -12.033 -22.508 1.00 72.33 O ATOM 1107 CB ASP A 71 2.855 -13.947 -24.069 1.00 60.13 C ATOM 1108 CG ASP A 71 3.130 -15.312 -24.670 1.00 54.55 C ATOM 1109 OD1 ASP A 71 2.274 -15.807 -25.434 1.00 0.11 O ATOM 1110 OD2 ASP A 71 4.200 -15.884 -24.378 1.00 43.54 O ATOM 0 H ASP A 71 1.716 -12.221 -25.467 1.00 44.31 H new ATOM 0 HA ASP A 71 0.799 -14.572 -24.074 1.00 24.44 H new ATOM 0 HB2 ASP A 71 3.338 -13.182 -24.676 1.00 60.13 H new ATOM 0 HB3 ASP A 71 3.301 -13.894 -23.076 1.00 60.13 H new ATOM 1115 N LYS A 72 1.564 -13.658 -21.552 1.00 71.00 N ATOM 1116 CA LYS A 72 1.337 -13.182 -20.193 1.00 14.12 C ATOM 1117 C LYS A 72 2.518 -13.525 -19.291 1.00 45.55 C ATOM 1118 O LYS A 72 3.328 -14.393 -19.617 1.00 71.44 O ATOM 1119 CB LYS A 72 0.054 -13.793 -19.624 1.00 71.01 C ATOM 1120 CG LYS A 72 -1.163 -12.895 -19.767 1.00 60.54 C ATOM 1121 CD LYS A 72 -2.428 -13.704 -20.000 1.00 71.25 C ATOM 1122 CE LYS A 72 -3.122 -13.295 -21.291 1.00 5.32 C ATOM 1123 NZ LYS A 72 -4.163 -14.279 -21.697 1.00 42.32 N ATOM 0 H LYS A 72 2.149 -14.491 -21.614 1.00 71.00 H new ATOM 0 HA LYS A 72 1.232 -12.098 -20.228 1.00 14.12 H new ATOM 0 HB2 LYS A 72 -0.142 -14.740 -20.128 1.00 71.01 H new ATOM 0 HB3 LYS A 72 0.206 -14.019 -18.569 1.00 71.01 H new ATOM 0 HG2 LYS A 72 -1.277 -12.290 -18.868 1.00 60.54 H new ATOM 0 HG3 LYS A 72 -1.012 -12.206 -20.598 1.00 60.54 H new ATOM 0 HD2 LYS A 72 -2.181 -14.765 -20.039 1.00 71.25 H new ATOM 0 HD3 LYS A 72 -3.109 -13.566 -19.160 1.00 71.25 H new ATOM 0 HE2 LYS A 72 -3.580 -12.314 -21.162 1.00 5.32 H new ATOM 0 HE3 LYS A 72 -2.383 -13.200 -22.086 1.00 5.32 H new ATOM 0 HZ1 LYS A 72 -4.612 -13.964 -22.581 1.00 42.32 H new ATOM 0 HZ2 LYS A 72 -3.722 -15.209 -21.845 1.00 42.32 H new ATOM 0 HZ3 LYS A 72 -4.882 -14.352 -20.950 1.00 42.32 H new ATOM 1137 N ILE A 73 2.611 -12.838 -18.158 1.00 15.04 N ATOM 1138 CA ILE A 73 3.692 -13.072 -17.209 1.00 21.30 C ATOM 1139 C ILE A 73 3.166 -13.128 -15.779 1.00 22.53 C ATOM 1140 O ILE A 73 2.208 -12.438 -15.431 1.00 2.32 O ATOM 1141 CB ILE A 73 4.772 -11.978 -17.304 1.00 74.15 C ATOM 1142 CG1 ILE A 73 5.360 -11.933 -18.716 1.00 72.22 C ATOM 1143 CG2 ILE A 73 5.866 -12.223 -16.276 1.00 41.43 C ATOM 1144 CD1 ILE A 73 6.261 -10.743 -18.958 1.00 4.24 C ATOM 0 H ILE A 73 1.950 -12.114 -17.875 1.00 15.04 H new ATOM 0 HA ILE A 73 4.136 -14.033 -17.468 1.00 21.30 H new ATOM 0 HB ILE A 73 4.311 -11.013 -17.092 1.00 74.15 H new ATOM 0 HG12 ILE A 73 5.925 -12.848 -18.895 1.00 72.22 H new ATOM 0 HG13 ILE A 73 4.545 -11.914 -19.440 1.00 72.22 H new ATOM 0 HG21 ILE A 73 6.622 -11.442 -16.356 1.00 41.43 H new ATOM 0 HG22 ILE A 73 5.434 -12.210 -15.275 1.00 41.43 H new ATOM 0 HG23 ILE A 73 6.327 -13.194 -16.459 1.00 41.43 H new ATOM 0 HD11 ILE A 73 6.642 -10.776 -19.979 1.00 4.24 H new ATOM 0 HD12 ILE A 73 5.696 -9.823 -18.811 1.00 4.24 H new ATOM 0 HD13 ILE A 73 7.096 -10.771 -18.258 1.00 4.24 H new ATOM 1156 N TYR A 74 3.800 -13.954 -14.953 1.00 42.13 N ATOM 1157 CA TYR A 74 3.396 -14.101 -13.560 1.00 42.01 C ATOM 1158 C TYR A 74 4.601 -14.396 -12.672 1.00 31.42 C ATOM 1159 O TYR A 74 5.148 -15.499 -12.694 1.00 62.03 O ATOM 1160 CB TYR A 74 2.361 -15.219 -13.423 1.00 11.43 C ATOM 1161 CG TYR A 74 1.395 -15.295 -14.583 1.00 61.45 C ATOM 1162 CD1 TYR A 74 1.684 -16.064 -15.704 1.00 64.10 C ATOM 1163 CD2 TYR A 74 0.192 -14.600 -14.559 1.00 44.20 C ATOM 1164 CE1 TYR A 74 0.805 -16.136 -16.767 1.00 63.41 C ATOM 1165 CE2 TYR A 74 -0.694 -14.667 -15.617 1.00 25.51 C ATOM 1166 CZ TYR A 74 -0.382 -15.437 -16.719 1.00 14.42 C ATOM 1167 OH TYR A 74 -1.261 -15.507 -17.775 1.00 75.21 O ATOM 0 H TYR A 74 4.596 -14.532 -15.225 1.00 42.13 H new ATOM 0 HA TYR A 74 2.950 -13.161 -13.236 1.00 42.01 H new ATOM 0 HB2 TYR A 74 2.879 -16.173 -13.330 1.00 11.43 H new ATOM 0 HB3 TYR A 74 1.798 -15.071 -12.501 1.00 11.43 H new ATOM 0 HD1 TYR A 74 2.612 -16.615 -15.745 1.00 64.10 H new ATOM 0 HD2 TYR A 74 -0.055 -13.997 -13.698 1.00 44.20 H new ATOM 0 HE1 TYR A 74 1.047 -16.737 -17.631 1.00 63.41 H new ATOM 0 HE2 TYR A 74 -1.625 -14.120 -15.582 1.00 25.51 H new ATOM 0 HH TYR A 74 -2.049 -14.957 -17.582 1.00 75.21 H new ATOM 1177 N PHE A 75 5.009 -13.403 -11.889 1.00 55.43 N ATOM 1178 CA PHE A 75 6.149 -13.554 -10.993 1.00 15.03 C ATOM 1179 C PHE A 75 6.219 -12.396 -10.002 1.00 12.41 C ATOM 1180 O PHE A 75 5.274 -11.617 -9.873 1.00 41.15 O ATOM 1181 CB PHE A 75 7.449 -13.633 -11.795 1.00 52.14 C ATOM 1182 CG PHE A 75 7.929 -12.299 -12.292 1.00 34.11 C ATOM 1183 CD1 PHE A 75 7.113 -11.505 -13.083 1.00 24.24 C ATOM 1184 CD2 PHE A 75 9.195 -11.839 -11.968 1.00 14.25 C ATOM 1185 CE1 PHE A 75 7.553 -10.278 -13.541 1.00 50.13 C ATOM 1186 CE2 PHE A 75 9.639 -10.612 -12.423 1.00 45.11 C ATOM 1187 CZ PHE A 75 8.817 -9.830 -13.210 1.00 70.12 C ATOM 0 H PHE A 75 4.567 -12.484 -11.857 1.00 55.43 H new ATOM 0 HA PHE A 75 6.019 -14.481 -10.434 1.00 15.03 H new ATOM 0 HB2 PHE A 75 8.224 -14.080 -11.172 1.00 52.14 H new ATOM 0 HB3 PHE A 75 7.301 -14.297 -12.646 1.00 52.14 H new ATOM 0 HD1 PHE A 75 6.123 -11.849 -13.344 1.00 24.24 H new ATOM 0 HD2 PHE A 75 9.842 -12.446 -11.353 1.00 14.25 H new ATOM 0 HE1 PHE A 75 6.909 -9.669 -14.158 1.00 50.13 H new ATOM 0 HE2 PHE A 75 10.628 -10.265 -12.163 1.00 45.11 H new ATOM 0 HZ PHE A 75 9.162 -8.870 -13.566 1.00 70.12 H new ATOM 1197 N TRP A 76 7.344 -12.290 -9.304 1.00 53.42 N ATOM 1198 CA TRP A 76 7.538 -11.227 -8.324 1.00 73.01 C ATOM 1199 C TRP A 76 8.927 -10.613 -8.454 1.00 64.35 C ATOM 1200 O TRP A 76 9.821 -11.198 -9.068 1.00 31.10 O ATOM 1201 CB TRP A 76 7.337 -11.768 -6.908 1.00 34.52 C ATOM 1202 CG TRP A 76 8.158 -12.987 -6.616 1.00 24.34 C ATOM 1203 CD1 TRP A 76 8.101 -14.189 -7.262 1.00 35.11 C ATOM 1204 CD2 TRP A 76 9.159 -13.123 -5.601 1.00 4.10 C ATOM 1205 NE1 TRP A 76 9.005 -15.064 -6.710 1.00 3.40 N ATOM 1206 CE2 TRP A 76 9.668 -14.434 -5.690 1.00 50.41 C ATOM 1207 CE3 TRP A 76 9.677 -12.264 -4.627 1.00 60.54 C ATOM 1208 CZ2 TRP A 76 10.667 -14.903 -4.842 1.00 31.35 C ATOM 1209 CZ3 TRP A 76 10.668 -12.732 -3.786 1.00 22.32 C ATOM 1210 CH2 TRP A 76 11.155 -14.041 -3.898 1.00 23.45 C ATOM 0 H TRP A 76 8.135 -12.927 -9.398 1.00 53.42 H new ATOM 0 HA TRP A 76 6.798 -10.450 -8.517 1.00 73.01 H new ATOM 0 HB2 TRP A 76 7.589 -10.988 -6.190 1.00 34.52 H new ATOM 0 HB3 TRP A 76 6.283 -12.005 -6.764 1.00 34.52 H new ATOM 0 HD1 TRP A 76 7.442 -14.418 -8.086 1.00 35.11 H new ATOM 0 HE1 TRP A 76 9.158 -16.027 -7.011 1.00 3.40 H new ATOM 0 HE3 TRP A 76 9.309 -11.253 -4.534 1.00 60.54 H new ATOM 0 HZ2 TRP A 76 11.044 -15.912 -4.926 1.00 31.35 H new ATOM 0 HZ3 TRP A 76 11.074 -12.078 -3.029 1.00 22.32 H new ATOM 0 HH2 TRP A 76 11.931 -14.376 -3.226 1.00 23.45 H new ATOM 1221 N THR A 77 9.104 -9.431 -7.873 1.00 45.34 N ATOM 1222 CA THR A 77 10.385 -8.738 -7.926 1.00 4.43 C ATOM 1223 C THR A 77 10.808 -8.258 -6.542 1.00 13.51 C ATOM 1224 O THR A 77 9.997 -8.207 -5.617 1.00 34.20 O ATOM 1225 CB THR A 77 10.333 -7.531 -8.881 1.00 55.33 C ATOM 1226 OG1 THR A 77 9.099 -6.824 -8.710 1.00 2.43 O ATOM 1227 CG2 THR A 77 10.468 -7.980 -10.328 1.00 43.14 C ATOM 0 H THR A 77 8.376 -8.933 -7.360 1.00 45.34 H new ATOM 0 HA THR A 77 11.116 -9.455 -8.299 1.00 4.43 H new ATOM 0 HB THR A 77 11.167 -6.871 -8.642 1.00 55.33 H new ATOM 0 HG1 THR A 77 9.074 -6.057 -9.319 1.00 2.43 H new ATOM 0 HG21 THR A 77 10.428 -7.110 -10.984 1.00 43.14 H new ATOM 0 HG22 THR A 77 11.420 -8.493 -10.462 1.00 43.14 H new ATOM 0 HG23 THR A 77 9.652 -8.659 -10.576 1.00 43.14 H new ATOM 1235 N PHE A 78 12.082 -7.905 -6.406 1.00 53.34 N ATOM 1236 CA PHE A 78 12.612 -7.428 -5.134 1.00 71.32 C ATOM 1237 C PHE A 78 13.333 -6.095 -5.310 1.00 72.14 C ATOM 1238 O PHE A 78 14.020 -5.875 -6.308 1.00 55.22 O ATOM 1239 CB PHE A 78 13.568 -8.463 -4.536 1.00 52.24 C ATOM 1240 CG PHE A 78 13.317 -8.741 -3.082 1.00 75.31 C ATOM 1241 CD1 PHE A 78 12.441 -9.743 -2.696 1.00 71.32 C ATOM 1242 CD2 PHE A 78 13.956 -8.001 -2.101 1.00 14.42 C ATOM 1243 CE1 PHE A 78 12.208 -10.002 -1.359 1.00 34.53 C ATOM 1244 CE2 PHE A 78 13.727 -8.256 -0.762 1.00 14.51 C ATOM 1245 CZ PHE A 78 12.851 -9.257 -0.390 1.00 53.23 C ATOM 0 H PHE A 78 12.767 -7.940 -7.161 1.00 53.34 H new ATOM 0 HA PHE A 78 11.774 -7.280 -4.452 1.00 71.32 H new ATOM 0 HB2 PHE A 78 13.480 -9.394 -5.096 1.00 52.24 H new ATOM 0 HB3 PHE A 78 14.593 -8.113 -4.659 1.00 52.24 H new ATOM 0 HD1 PHE A 78 11.934 -10.328 -3.449 1.00 71.32 H new ATOM 0 HD2 PHE A 78 14.641 -7.216 -2.386 1.00 14.42 H new ATOM 0 HE1 PHE A 78 11.524 -10.786 -1.072 1.00 34.53 H new ATOM 0 HE2 PHE A 78 14.233 -7.673 -0.007 1.00 14.51 H new ATOM 0 HZ PHE A 78 12.669 -9.457 0.656 1.00 53.23 H new ATOM 1255 N VAL A 79 13.171 -5.208 -4.334 1.00 12.12 N ATOM 1256 CA VAL A 79 13.806 -3.896 -4.379 1.00 73.25 C ATOM 1257 C VAL A 79 14.306 -3.480 -3.001 1.00 42.40 C ATOM 1258 O VAL A 79 13.957 -4.092 -1.992 1.00 31.34 O ATOM 1259 CB VAL A 79 12.837 -2.822 -4.908 1.00 50.21 C ATOM 1260 CG1 VAL A 79 13.037 -2.611 -6.401 1.00 53.51 C ATOM 1261 CG2 VAL A 79 11.397 -3.207 -4.604 1.00 22.13 C ATOM 0 H VAL A 79 12.605 -5.374 -3.502 1.00 12.12 H new ATOM 0 HA VAL A 79 14.653 -3.977 -5.060 1.00 73.25 H new ATOM 0 HB VAL A 79 13.052 -1.882 -4.400 1.00 50.21 H new ATOM 0 HG11 VAL A 79 12.344 -1.849 -6.757 1.00 53.51 H new ATOM 0 HG12 VAL A 79 14.061 -2.287 -6.589 1.00 53.51 H new ATOM 0 HG13 VAL A 79 12.850 -3.546 -6.929 1.00 53.51 H new ATOM 0 HG21 VAL A 79 10.726 -2.437 -4.985 1.00 22.13 H new ATOM 0 HG22 VAL A 79 11.166 -4.159 -5.083 1.00 22.13 H new ATOM 0 HG23 VAL A 79 11.266 -3.302 -3.526 1.00 22.13 H new ATOM 1271 N ILE A 80 15.125 -2.434 -2.966 1.00 65.12 N ATOM 1272 CA ILE A 80 15.673 -1.935 -1.711 1.00 13.40 C ATOM 1273 C ILE A 80 15.925 -0.432 -1.781 1.00 25.43 C ATOM 1274 O ILE A 80 16.969 0.012 -2.260 1.00 22.53 O ATOM 1275 CB ILE A 80 16.988 -2.649 -1.346 1.00 53.34 C ATOM 1276 CG1 ILE A 80 16.740 -4.143 -1.134 1.00 32.43 C ATOM 1277 CG2 ILE A 80 17.601 -2.026 -0.101 1.00 42.54 C ATOM 1278 CD1 ILE A 80 18.009 -4.963 -1.065 1.00 45.20 C ATOM 0 H ILE A 80 15.424 -1.916 -3.792 1.00 65.12 H new ATOM 0 HA ILE A 80 14.932 -2.142 -0.939 1.00 13.40 H new ATOM 0 HB ILE A 80 17.690 -2.530 -2.171 1.00 53.34 H new ATOM 0 HG12 ILE A 80 16.177 -4.282 -0.211 1.00 32.43 H new ATOM 0 HG13 ILE A 80 16.118 -4.519 -1.947 1.00 32.43 H new ATOM 0 HG21 ILE A 80 18.530 -2.541 0.144 1.00 42.54 H new ATOM 0 HG22 ILE A 80 17.809 -0.972 -0.286 1.00 42.54 H new ATOM 0 HG23 ILE A 80 16.904 -2.117 0.732 1.00 42.54 H new ATOM 0 HD11 ILE A 80 17.756 -6.012 -0.913 1.00 45.20 H new ATOM 0 HD12 ILE A 80 18.564 -4.854 -1.997 1.00 45.20 H new ATOM 0 HD13 ILE A 80 18.623 -4.614 -0.235 1.00 45.20 H new ATOM 1290 N LYS A 81 14.964 0.347 -1.298 1.00 34.22 N ATOM 1291 CA LYS A 81 15.081 1.800 -1.302 1.00 5.15 C ATOM 1292 C LYS A 81 15.263 2.335 0.115 1.00 31.15 C ATOM 1293 O LYS A 81 14.596 1.887 1.048 1.00 20.33 O ATOM 1294 CB LYS A 81 13.843 2.431 -1.942 1.00 11.25 C ATOM 1295 CG LYS A 81 13.861 3.950 -1.934 1.00 65.13 C ATOM 1296 CD LYS A 81 12.623 4.520 -1.263 1.00 71.43 C ATOM 1297 CE LYS A 81 11.390 4.357 -2.139 1.00 31.22 C ATOM 1298 NZ LYS A 81 10.372 3.474 -1.505 1.00 20.12 N ATOM 0 H LYS A 81 14.094 -0.004 -0.898 1.00 34.22 H new ATOM 0 HA LYS A 81 15.960 2.067 -1.888 1.00 5.15 H new ATOM 0 HB2 LYS A 81 13.759 2.082 -2.971 1.00 11.25 H new ATOM 0 HB3 LYS A 81 12.955 2.084 -1.414 1.00 11.25 H new ATOM 0 HG2 LYS A 81 14.752 4.301 -1.414 1.00 65.13 H new ATOM 0 HG3 LYS A 81 13.923 4.319 -2.958 1.00 65.13 H new ATOM 0 HD2 LYS A 81 12.462 4.019 -0.309 1.00 71.43 H new ATOM 0 HD3 LYS A 81 12.779 5.577 -1.046 1.00 71.43 H new ATOM 0 HE2 LYS A 81 10.951 5.335 -2.334 1.00 31.22 H new ATOM 0 HE3 LYS A 81 11.682 3.941 -3.103 1.00 31.22 H new ATOM 0 HZ1 LYS A 81 9.693 3.155 -2.225 1.00 20.12 H new ATOM 0 HZ2 LYS A 81 10.843 2.648 -1.083 1.00 20.12 H new ATOM 0 HZ3 LYS A 81 9.868 4.001 -0.764 1.00 20.12 H new ATOM 1312 N ASP A 82 16.167 3.296 0.269 1.00 64.50 N ATOM 1313 CA ASP A 82 16.434 3.893 1.572 1.00 3.31 C ATOM 1314 C ASP A 82 16.512 2.822 2.656 1.00 53.34 C ATOM 1315 O ASP A 82 16.100 3.045 3.793 1.00 4.05 O ATOM 1316 CB ASP A 82 15.349 4.912 1.922 1.00 54.35 C ATOM 1317 CG ASP A 82 15.866 6.337 1.908 1.00 2.24 C ATOM 1318 OD1 ASP A 82 17.024 6.552 2.324 1.00 44.01 O ATOM 1319 OD2 ASP A 82 15.114 7.237 1.482 1.00 55.53 O ATOM 0 H ASP A 82 16.727 3.678 -0.493 1.00 64.50 H new ATOM 0 HA ASP A 82 17.396 4.402 1.520 1.00 3.31 H new ATOM 0 HB2 ASP A 82 14.526 4.820 1.213 1.00 54.35 H new ATOM 0 HB3 ASP A 82 14.946 4.685 2.909 1.00 54.35 H new ATOM 1324 N GLY A 83 17.041 1.658 2.293 1.00 25.21 N ATOM 1325 CA GLY A 83 17.162 0.569 3.245 1.00 11.11 C ATOM 1326 C GLY A 83 15.821 0.140 3.808 1.00 64.35 C ATOM 1327 O GLY A 83 15.712 -0.191 4.989 1.00 5.01 O ATOM 0 H GLY A 83 17.388 1.449 1.357 1.00 25.21 H new ATOM 0 HA2 GLY A 83 17.638 -0.283 2.759 1.00 11.11 H new ATOM 0 HA3 GLY A 83 17.815 0.876 4.062 1.00 11.11 H new ATOM 1331 N LEU A 84 14.797 0.146 2.961 1.00 24.33 N ATOM 1332 CA LEU A 84 13.456 -0.245 3.381 1.00 51.32 C ATOM 1333 C LEU A 84 13.161 -1.689 2.988 1.00 41.34 C ATOM 1334 O LEU A 84 12.808 -2.513 3.830 1.00 11.43 O ATOM 1335 CB LEU A 84 12.414 0.688 2.760 1.00 64.32 C ATOM 1336 CG LEU A 84 12.149 1.993 3.511 1.00 30.22 C ATOM 1337 CD1 LEU A 84 12.074 3.162 2.541 1.00 20.51 C ATOM 1338 CD2 LEU A 84 10.867 1.889 4.324 1.00 32.11 C ATOM 0 H LEU A 84 14.870 0.417 1.980 1.00 24.33 H new ATOM 0 HA LEU A 84 13.405 -0.166 4.467 1.00 51.32 H new ATOM 0 HB2 LEU A 84 12.733 0.934 1.747 1.00 64.32 H new ATOM 0 HB3 LEU A 84 11.473 0.144 2.675 1.00 64.32 H new ATOM 0 HG LEU A 84 12.978 2.170 4.197 1.00 30.22 H new ATOM 0 HD11 LEU A 84 11.885 4.082 3.094 1.00 20.51 H new ATOM 0 HD12 LEU A 84 13.018 3.250 2.003 1.00 20.51 H new ATOM 0 HD13 LEU A 84 11.265 2.993 1.830 1.00 20.51 H new ATOM 0 HD21 LEU A 84 10.694 2.827 4.852 1.00 32.11 H new ATOM 0 HD22 LEU A 84 10.029 1.688 3.657 1.00 32.11 H new ATOM 0 HD23 LEU A 84 10.959 1.078 5.046 1.00 32.11 H new ATOM 1350 N GLY A 85 13.311 -1.989 1.701 1.00 51.11 N ATOM 1351 CA GLY A 85 13.059 -3.334 1.219 1.00 73.22 C ATOM 1352 C GLY A 85 11.608 -3.550 0.835 1.00 63.21 C ATOM 1353 O GLY A 85 10.723 -3.532 1.691 1.00 62.54 O ATOM 0 H GLY A 85 13.602 -1.324 0.984 1.00 51.11 H new ATOM 0 HA2 GLY A 85 13.694 -3.532 0.355 1.00 73.22 H new ATOM 0 HA3 GLY A 85 13.338 -4.051 1.991 1.00 73.22 H new ATOM 1357 N TYR A 86 11.363 -3.753 -0.455 1.00 4.02 N ATOM 1358 CA TYR A 86 10.009 -3.969 -0.951 1.00 5.01 C ATOM 1359 C TYR A 86 9.957 -5.174 -1.886 1.00 5.44 C ATOM 1360 O TYR A 86 10.968 -5.838 -2.117 1.00 52.21 O ATOM 1361 CB TYR A 86 9.506 -2.722 -1.680 1.00 12.15 C ATOM 1362 CG TYR A 86 9.302 -1.531 -0.771 1.00 4.50 C ATOM 1363 CD1 TYR A 86 8.111 -1.356 -0.078 1.00 50.40 C ATOM 1364 CD2 TYR A 86 10.302 -0.580 -0.605 1.00 24.21 C ATOM 1365 CE1 TYR A 86 7.921 -0.268 0.752 1.00 33.13 C ATOM 1366 CE2 TYR A 86 10.122 0.510 0.225 1.00 75.44 C ATOM 1367 CZ TYR A 86 8.929 0.661 0.901 1.00 52.54 C ATOM 1368 OH TYR A 86 8.744 1.745 1.728 1.00 13.30 O ATOM 0 H TYR A 86 12.084 -3.772 -1.176 1.00 4.02 H new ATOM 0 HA TYR A 86 9.363 -4.167 -0.096 1.00 5.01 H new ATOM 0 HB2 TYR A 86 10.219 -2.455 -2.460 1.00 12.15 H new ATOM 0 HB3 TYR A 86 8.564 -2.956 -2.175 1.00 12.15 H new ATOM 0 HD1 TYR A 86 7.320 -2.083 -0.190 1.00 50.40 H new ATOM 0 HD2 TYR A 86 11.236 -0.695 -1.134 1.00 24.21 H new ATOM 0 HE1 TYR A 86 6.988 -0.146 1.281 1.00 33.13 H new ATOM 0 HE2 TYR A 86 10.910 1.239 0.344 1.00 75.44 H new ATOM 0 HH TYR A 86 8.226 1.472 2.514 1.00 13.30 H new ATOM 1378 N ARG A 87 8.772 -5.449 -2.420 1.00 43.44 N ATOM 1379 CA ARG A 87 8.587 -6.573 -3.330 1.00 13.13 C ATOM 1380 C ARG A 87 7.175 -6.577 -3.908 1.00 52.25 C ATOM 1381 O ARG A 87 6.198 -6.385 -3.186 1.00 14.34 O ATOM 1382 CB ARG A 87 8.856 -7.893 -2.604 1.00 55.33 C ATOM 1383 CG ARG A 87 8.075 -9.068 -3.170 1.00 24.34 C ATOM 1384 CD ARG A 87 6.813 -9.338 -2.365 1.00 44.12 C ATOM 1385 NE ARG A 87 7.107 -9.969 -1.081 1.00 70.14 N ATOM 1386 CZ ARG A 87 6.171 -10.384 -0.235 1.00 52.22 C ATOM 1387 NH1 ARG A 87 4.888 -10.235 -0.536 1.00 20.13 N ATOM 1388 NH2 ARG A 87 6.517 -10.949 0.914 1.00 20.13 N ATOM 0 H ARG A 87 7.926 -4.909 -2.238 1.00 43.44 H new ATOM 0 HA ARG A 87 9.297 -6.466 -4.150 1.00 13.13 H new ATOM 0 HB2 ARG A 87 9.922 -8.116 -2.657 1.00 55.33 H new ATOM 0 HB3 ARG A 87 8.607 -7.776 -1.549 1.00 55.33 H new ATOM 0 HG2 ARG A 87 7.809 -8.864 -4.207 1.00 24.34 H new ATOM 0 HG3 ARG A 87 8.704 -9.958 -3.171 1.00 24.34 H new ATOM 0 HD2 ARG A 87 6.284 -8.400 -2.195 1.00 44.12 H new ATOM 0 HD3 ARG A 87 6.147 -9.980 -2.940 1.00 44.12 H new ATOM 0 HE ARG A 87 8.085 -10.098 -0.820 1.00 70.14 H new ATOM 0 HH11 ARG A 87 4.618 -9.801 -1.419 1.00 20.13 H new ATOM 0 HH12 ARG A 87 4.171 -10.554 0.115 1.00 20.13 H new ATOM 0 HH21 ARG A 87 7.503 -11.065 1.149 1.00 20.13 H new ATOM 0 HH22 ARG A 87 5.797 -11.267 1.563 1.00 20.13 H new ATOM 1402 N GLN A 88 7.077 -6.796 -5.216 1.00 3.03 N ATOM 1403 CA GLN A 88 5.785 -6.823 -5.891 1.00 23.30 C ATOM 1404 C GLN A 88 5.162 -8.213 -5.817 1.00 73.10 C ATOM 1405 O GLN A 88 5.868 -9.216 -5.710 1.00 33.04 O ATOM 1406 CB GLN A 88 5.941 -6.398 -7.352 1.00 74.11 C ATOM 1407 CG GLN A 88 4.657 -5.868 -7.971 1.00 45.12 C ATOM 1408 CD GLN A 88 4.499 -4.371 -7.794 1.00 2.33 C ATOM 1409 OE1 GLN A 88 4.671 -3.624 -8.878 1.00 3.33 O flip ATOM 1410 NE2 GLN A 88 4.225 -3.890 -6.694 1.00 62.24 N flip ATOM 0 H GLN A 88 7.877 -6.957 -5.828 1.00 3.03 H new ATOM 0 HA GLN A 88 5.123 -6.121 -5.384 1.00 23.30 H new ATOM 0 HB2 GLN A 88 6.711 -5.629 -7.418 1.00 74.11 H new ATOM 0 HB3 GLN A 88 6.291 -7.250 -7.935 1.00 74.11 H new ATOM 0 HG2 GLN A 88 4.645 -6.108 -9.034 1.00 45.12 H new ATOM 0 HG3 GLN A 88 3.804 -6.375 -7.520 1.00 45.12 H new ATOM 0 HE21 GLN A 88 4.101 -4.501 -5.887 1.00 62.24 H new ATOM 0 HE22 GLN A 88 4.122 -2.881 -6.590 1.00 62.24 H new ATOM 1419 N ASP A 89 3.836 -8.265 -5.875 1.00 14.21 N ATOM 1420 CA ASP A 89 3.116 -9.532 -5.815 1.00 65.12 C ATOM 1421 C ASP A 89 2.016 -9.583 -6.871 1.00 5.01 C ATOM 1422 O ASP A 89 2.009 -8.790 -7.812 1.00 33.43 O ATOM 1423 CB ASP A 89 2.515 -9.737 -4.424 1.00 0.41 C ATOM 1424 CG ASP A 89 1.062 -9.310 -4.353 1.00 31.31 C ATOM 1425 OD1 ASP A 89 0.695 -8.335 -5.042 1.00 31.21 O ATOM 1426 OD2 ASP A 89 0.291 -9.952 -3.609 1.00 64.11 O ATOM 0 H ASP A 89 3.237 -7.444 -5.964 1.00 14.21 H new ATOM 0 HA ASP A 89 3.826 -10.334 -6.017 1.00 65.12 H new ATOM 0 HB2 ASP A 89 2.596 -10.788 -4.148 1.00 0.41 H new ATOM 0 HB3 ASP A 89 3.093 -9.170 -3.694 1.00 0.41 H new ATOM 1431 N ASN A 90 1.090 -10.522 -6.708 1.00 12.31 N ATOM 1432 CA ASN A 90 -0.014 -10.677 -7.648 1.00 73.20 C ATOM 1433 C ASN A 90 0.408 -11.517 -8.849 1.00 63.52 C ATOM 1434 O ASN A 90 -0.372 -12.314 -9.369 1.00 15.43 O ATOM 1435 CB ASN A 90 -0.508 -9.307 -8.118 1.00 71.40 C ATOM 1436 CG ASN A 90 -2.002 -9.289 -8.375 1.00 55.53 C ATOM 1437 OD1 ASN A 90 -2.447 -9.352 -9.522 1.00 11.35 O ATOM 1438 ND2 ASN A 90 -2.786 -9.201 -7.306 1.00 44.04 N ATOM 0 H ASN A 90 1.082 -11.187 -5.934 1.00 12.31 H new ATOM 0 HA ASN A 90 -0.826 -11.192 -7.134 1.00 73.20 H new ATOM 0 HB2 ASN A 90 -0.262 -8.557 -7.366 1.00 71.40 H new ATOM 0 HB3 ASN A 90 0.018 -9.027 -9.031 1.00 71.40 H new ATOM 0 HD21 ASN A 90 -3.800 -9.183 -7.417 1.00 44.04 H new ATOM 0 HD22 ASN A 90 -2.374 -9.151 -6.374 1.00 44.04 H new ATOM 1445 N GLY A 91 1.651 -11.334 -9.285 1.00 61.13 N ATOM 1446 CA GLY A 91 2.157 -12.082 -10.421 1.00 75.24 C ATOM 1447 C GLY A 91 1.145 -12.183 -11.546 1.00 32.14 C ATOM 1448 O GLY A 91 0.485 -13.209 -11.704 1.00 35.30 O ATOM 0 H GLY A 91 2.316 -10.681 -8.871 1.00 61.13 H new ATOM 0 HA2 GLY A 91 3.063 -11.603 -10.793 1.00 75.24 H new ATOM 0 HA3 GLY A 91 2.437 -13.084 -10.097 1.00 75.24 H new ATOM 1452 N GLU A 92 1.022 -11.115 -12.327 1.00 12.41 N ATOM 1453 CA GLU A 92 0.081 -11.088 -13.440 1.00 53.54 C ATOM 1454 C GLU A 92 0.307 -9.857 -14.314 1.00 14.21 C ATOM 1455 O GLU A 92 0.038 -8.730 -13.898 1.00 5.23 O ATOM 1456 CB GLU A 92 -1.359 -11.101 -12.921 1.00 45.32 C ATOM 1457 CG GLU A 92 -2.402 -10.968 -14.017 1.00 53.14 C ATOM 1458 CD GLU A 92 -3.310 -12.179 -14.109 1.00 22.33 C ATOM 1459 OE1 GLU A 92 -3.524 -12.839 -13.070 1.00 62.11 O ATOM 1460 OE2 GLU A 92 -3.805 -12.468 -15.218 1.00 14.21 O ATOM 0 H GLU A 92 1.562 -10.258 -12.210 1.00 12.41 H new ATOM 0 HA GLU A 92 0.249 -11.979 -14.046 1.00 53.54 H new ATOM 0 HB2 GLU A 92 -1.532 -12.030 -12.377 1.00 45.32 H new ATOM 0 HB3 GLU A 92 -1.487 -10.286 -12.209 1.00 45.32 H new ATOM 0 HG2 GLU A 92 -3.006 -10.079 -13.833 1.00 53.14 H new ATOM 0 HG3 GLU A 92 -1.901 -10.821 -14.974 1.00 53.14 H new ATOM 1467 N TRP A 93 0.802 -10.082 -15.526 1.00 13.25 N ATOM 1468 CA TRP A 93 1.065 -8.992 -16.458 1.00 54.40 C ATOM 1469 C TRP A 93 0.942 -9.468 -17.901 1.00 72.11 C ATOM 1470 O TRP A 93 1.717 -10.310 -18.356 1.00 50.12 O ATOM 1471 CB TRP A 93 2.459 -8.411 -16.216 1.00 61.53 C ATOM 1472 CG TRP A 93 2.592 -7.716 -14.895 1.00 43.04 C ATOM 1473 CD1 TRP A 93 2.173 -6.453 -14.588 1.00 44.12 C ATOM 1474 CD2 TRP A 93 3.187 -8.244 -13.705 1.00 33.41 C ATOM 1475 NE1 TRP A 93 2.472 -6.164 -13.278 1.00 74.33 N ATOM 1476 CE2 TRP A 93 3.093 -7.247 -12.714 1.00 74.23 C ATOM 1477 CE3 TRP A 93 3.787 -9.463 -13.378 1.00 62.24 C ATOM 1478 CZ2 TRP A 93 3.578 -7.433 -11.423 1.00 31.33 C ATOM 1479 CZ3 TRP A 93 4.269 -9.646 -12.096 1.00 73.22 C ATOM 1480 CH2 TRP A 93 4.161 -8.636 -11.131 1.00 22.32 C ATOM 0 H TRP A 93 1.029 -11.009 -15.886 1.00 13.25 H new ATOM 0 HA TRP A 93 0.321 -8.214 -16.287 1.00 54.40 H new ATOM 0 HB2 TRP A 93 3.194 -9.214 -16.272 1.00 61.53 H new ATOM 0 HB3 TRP A 93 2.695 -7.707 -17.014 1.00 61.53 H new ATOM 0 HD1 TRP A 93 1.679 -5.780 -15.274 1.00 44.12 H new ATOM 0 HE1 TRP A 93 2.265 -5.286 -12.803 1.00 74.33 H new ATOM 0 HE3 TRP A 93 3.872 -10.248 -14.114 1.00 62.24 H new ATOM 0 HZ2 TRP A 93 3.497 -6.655 -10.678 1.00 31.33 H new ATOM 0 HZ3 TRP A 93 4.737 -10.583 -11.833 1.00 73.22 H new ATOM 0 HH2 TRP A 93 4.546 -8.810 -10.137 1.00 22.32 H new ATOM 1491 N THR A 94 -0.037 -8.925 -18.618 1.00 40.32 N ATOM 1492 CA THR A 94 -0.261 -9.295 -20.010 1.00 34.33 C ATOM 1493 C THR A 94 0.589 -8.447 -20.949 1.00 14.14 C ATOM 1494 O THR A 94 0.618 -7.221 -20.839 1.00 20.14 O ATOM 1495 CB THR A 94 -1.744 -9.143 -20.399 1.00 61.45 C ATOM 1496 OG1 THR A 94 -2.567 -9.885 -19.493 1.00 33.23 O ATOM 1497 CG2 THR A 94 -1.982 -9.629 -21.821 1.00 40.44 C ATOM 0 H THR A 94 -0.688 -8.227 -18.257 1.00 40.32 H new ATOM 0 HA THR A 94 0.028 -10.341 -20.110 1.00 34.33 H new ATOM 0 HB THR A 94 -2.005 -8.086 -20.344 1.00 61.45 H new ATOM 0 HG1 THR A 94 -3.508 -9.782 -19.746 1.00 33.23 H new ATOM 0 HG21 THR A 94 -3.036 -9.512 -22.074 1.00 40.44 H new ATOM 0 HG22 THR A 94 -1.376 -9.043 -22.512 1.00 40.44 H new ATOM 0 HG23 THR A 94 -1.705 -10.680 -21.897 1.00 40.44 H new ATOM 1505 N VAL A 95 1.279 -9.107 -21.873 1.00 41.32 N ATOM 1506 CA VAL A 95 2.129 -8.412 -22.833 1.00 72.43 C ATOM 1507 C VAL A 95 1.307 -7.494 -23.731 1.00 22.11 C ATOM 1508 O VAL A 95 0.460 -7.954 -24.495 1.00 54.23 O ATOM 1509 CB VAL A 95 2.911 -9.406 -23.712 1.00 73.45 C ATOM 1510 CG1 VAL A 95 3.904 -8.670 -24.598 1.00 10.41 C ATOM 1511 CG2 VAL A 95 3.618 -10.439 -22.848 1.00 62.23 C ATOM 0 H VAL A 95 1.266 -10.122 -21.978 1.00 41.32 H new ATOM 0 HA VAL A 95 2.835 -7.814 -22.257 1.00 72.43 H new ATOM 0 HB VAL A 95 2.204 -9.928 -24.357 1.00 73.45 H new ATOM 0 HG11 VAL A 95 4.447 -9.389 -25.211 1.00 10.41 H new ATOM 0 HG12 VAL A 95 3.369 -7.973 -25.243 1.00 10.41 H new ATOM 0 HG13 VAL A 95 4.609 -8.119 -23.975 1.00 10.41 H new ATOM 0 HG21 VAL A 95 4.166 -11.133 -23.486 1.00 62.23 H new ATOM 0 HG22 VAL A 95 4.314 -9.937 -22.177 1.00 62.23 H new ATOM 0 HG23 VAL A 95 2.881 -10.989 -22.262 1.00 62.23 H new ATOM 1521 N GLU A 96 1.565 -6.194 -23.632 1.00 50.34 N ATOM 1522 CA GLU A 96 0.848 -5.210 -24.436 1.00 62.51 C ATOM 1523 C GLU A 96 1.814 -4.201 -25.049 1.00 40.43 C ATOM 1524 O GLU A 96 1.397 -3.224 -25.671 1.00 33.42 O ATOM 1525 CB GLU A 96 -0.193 -4.483 -23.583 1.00 75.41 C ATOM 1526 CG GLU A 96 -1.220 -5.411 -22.955 1.00 12.42 C ATOM 1527 CD GLU A 96 -2.646 -4.963 -23.213 1.00 62.34 C ATOM 1528 OE1 GLU A 96 -3.021 -4.835 -24.398 1.00 31.33 O ATOM 1529 OE2 GLU A 96 -3.386 -4.741 -22.232 1.00 43.04 O ATOM 0 H GLU A 96 2.264 -5.798 -23.004 1.00 50.34 H new ATOM 0 HA GLU A 96 0.341 -5.738 -25.243 1.00 62.51 H new ATOM 0 HB2 GLU A 96 0.317 -3.932 -22.793 1.00 75.41 H new ATOM 0 HB3 GLU A 96 -0.709 -3.749 -24.202 1.00 75.41 H new ATOM 0 HG2 GLU A 96 -1.083 -6.418 -23.348 1.00 12.42 H new ATOM 0 HG3 GLU A 96 -1.048 -5.463 -21.880 1.00 12.42 H new ATOM 1536 N GLY A 97 3.109 -4.444 -24.869 1.00 12.44 N ATOM 1537 CA GLY A 97 4.114 -3.547 -25.409 1.00 22.23 C ATOM 1538 C GLY A 97 4.978 -4.212 -26.462 1.00 71.10 C ATOM 1539 O GLY A 97 4.774 -5.379 -26.796 1.00 60.43 O ATOM 0 H GLY A 97 3.480 -5.246 -24.359 1.00 12.44 H new ATOM 0 HA2 GLY A 97 3.624 -2.676 -25.843 1.00 22.23 H new ATOM 0 HA3 GLY A 97 4.747 -3.186 -24.599 1.00 22.23 H new ATOM 1543 N PHE A 98 5.945 -3.468 -26.988 1.00 52.33 N ATOM 1544 CA PHE A 98 6.841 -3.991 -28.012 1.00 63.33 C ATOM 1545 C PHE A 98 8.163 -3.229 -28.019 1.00 62.13 C ATOM 1546 O PHE A 98 8.232 -2.079 -27.587 1.00 12.44 O ATOM 1547 CB PHE A 98 6.182 -3.904 -29.390 1.00 61.04 C ATOM 1548 CG PHE A 98 6.266 -5.181 -30.177 1.00 42.20 C ATOM 1549 CD1 PHE A 98 5.794 -6.370 -29.646 1.00 11.14 C ATOM 1550 CD2 PHE A 98 6.818 -5.192 -31.448 1.00 3.21 C ATOM 1551 CE1 PHE A 98 5.870 -7.547 -30.367 1.00 15.40 C ATOM 1552 CE2 PHE A 98 6.896 -6.365 -32.174 1.00 61.11 C ATOM 1553 CZ PHE A 98 6.422 -7.544 -31.633 1.00 23.15 C ATOM 0 H PHE A 98 6.128 -2.501 -26.722 1.00 52.33 H new ATOM 0 HA PHE A 98 7.046 -5.036 -27.780 1.00 63.33 H new ATOM 0 HB2 PHE A 98 5.134 -3.631 -29.266 1.00 61.04 H new ATOM 0 HB3 PHE A 98 6.654 -3.104 -29.960 1.00 61.04 H new ATOM 0 HD1 PHE A 98 5.361 -6.378 -28.657 1.00 11.14 H new ATOM 0 HD2 PHE A 98 7.191 -4.273 -31.876 1.00 3.21 H new ATOM 0 HE1 PHE A 98 5.498 -8.467 -29.941 1.00 15.40 H new ATOM 0 HE2 PHE A 98 7.327 -6.360 -33.164 1.00 61.11 H new ATOM 0 HZ PHE A 98 6.483 -8.462 -32.199 1.00 23.15 H new ATOM 1563 N VAL A 99 9.212 -3.880 -28.513 1.00 51.54 N ATOM 1564 CA VAL A 99 10.532 -3.264 -28.578 1.00 22.32 C ATOM 1565 C VAL A 99 11.479 -4.085 -29.445 1.00 64.54 C ATOM 1566 O VAL A 99 11.106 -5.137 -29.966 1.00 44.34 O ATOM 1567 CB VAL A 99 11.147 -3.106 -27.174 1.00 54.33 C ATOM 1568 CG1 VAL A 99 10.988 -1.676 -26.680 1.00 41.14 C ATOM 1569 CG2 VAL A 99 10.512 -4.088 -26.201 1.00 61.14 C ATOM 0 H VAL A 99 9.173 -4.833 -28.874 1.00 51.54 H new ATOM 0 HA VAL A 99 10.400 -2.278 -29.022 1.00 22.32 H new ATOM 0 HB VAL A 99 12.212 -3.328 -27.236 1.00 54.33 H new ATOM 0 HG11 VAL A 99 11.428 -1.583 -25.687 1.00 41.14 H new ATOM 0 HG12 VAL A 99 11.493 -0.996 -27.366 1.00 41.14 H new ATOM 0 HG13 VAL A 99 9.929 -1.423 -26.633 1.00 41.14 H new ATOM 0 HG21 VAL A 99 10.958 -3.963 -25.214 1.00 61.14 H new ATOM 0 HG22 VAL A 99 9.440 -3.899 -26.141 1.00 61.14 H new ATOM 0 HG23 VAL A 99 10.682 -5.107 -26.549 1.00 61.14 H new ATOM 1579 N ASP A 100 12.706 -3.599 -29.596 1.00 23.11 N ATOM 1580 CA ASP A 100 13.709 -4.289 -30.399 1.00 50.25 C ATOM 1581 C ASP A 100 15.086 -4.193 -29.750 1.00 11.12 C ATOM 1582 O ASP A 100 15.505 -3.120 -29.318 1.00 12.34 O ATOM 1583 CB ASP A 100 13.755 -3.701 -31.811 1.00 1.23 C ATOM 1584 CG ASP A 100 14.809 -2.620 -31.954 1.00 31.35 C ATOM 1585 OD1 ASP A 100 14.812 -1.682 -31.129 1.00 70.52 O ATOM 1586 OD2 ASP A 100 15.630 -2.712 -32.890 1.00 41.02 O ATOM 0 H ASP A 100 13.030 -2.729 -29.173 1.00 23.11 H new ATOM 0 HA ASP A 100 13.429 -5.341 -30.460 1.00 50.25 H new ATOM 0 HB2 ASP A 100 13.957 -4.498 -32.527 1.00 1.23 H new ATOM 0 HB3 ASP A 100 12.778 -3.287 -32.061 1.00 1.23 H new ATOM 1591 N GLU A 101 15.784 -5.323 -29.684 1.00 53.42 N ATOM 1592 CA GLU A 101 17.113 -5.365 -29.085 1.00 75.12 C ATOM 1593 C GLU A 101 18.181 -4.981 -30.104 1.00 43.24 C ATOM 1594 O GLU A 101 19.220 -5.633 -30.206 1.00 2.42 O ATOM 1595 CB GLU A 101 17.401 -6.761 -28.529 1.00 41.00 C ATOM 1596 CG GLU A 101 18.551 -6.795 -27.536 1.00 41.05 C ATOM 1597 CD GLU A 101 18.473 -5.677 -26.515 1.00 45.22 C ATOM 1598 OE1 GLU A 101 17.377 -5.453 -25.962 1.00 32.24 O ATOM 1599 OE2 GLU A 101 19.510 -5.026 -26.270 1.00 5.45 O ATOM 0 H GLU A 101 15.452 -6.220 -30.037 1.00 53.42 H new ATOM 0 HA GLU A 101 17.139 -4.644 -28.268 1.00 75.12 H new ATOM 0 HB2 GLU A 101 16.502 -7.143 -28.045 1.00 41.00 H new ATOM 0 HB3 GLU A 101 17.627 -7.433 -29.357 1.00 41.00 H new ATOM 0 HG2 GLU A 101 18.552 -7.755 -27.019 1.00 41.05 H new ATOM 0 HG3 GLU A 101 19.495 -6.723 -28.076 1.00 41.05 H new ATOM 1606 N ALA A 102 17.917 -3.918 -30.858 1.00 23.23 N ATOM 1607 CA ALA A 102 18.856 -3.446 -31.868 1.00 11.32 C ATOM 1608 C ALA A 102 18.863 -1.923 -31.941 1.00 2.53 C ATOM 1609 O ALA A 102 19.610 -1.261 -31.219 1.00 1.41 O ATOM 1610 CB ALA A 102 18.513 -4.039 -33.226 1.00 73.40 C ATOM 0 H ALA A 102 17.061 -3.368 -30.788 1.00 23.23 H new ATOM 0 HA ALA A 102 19.855 -3.775 -31.582 1.00 11.32 H new ATOM 0 HB1 ALA A 102 19.223 -3.678 -33.970 1.00 73.40 H new ATOM 0 HB2 ALA A 102 18.566 -5.126 -33.172 1.00 73.40 H new ATOM 0 HB3 ALA A 102 17.505 -3.738 -33.510 1.00 73.40 H new TER 1616 ALA A 102