USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN :FLIP amide:sc= -3.62! C(o=-5.4!,f=-3.7!) USER MOD Set 1.2: A 97 LYS NZ :NH3+ 158:sc= 0.275 (180deg=0) USER MOD Set 1.3: A 98 HIS :FLIP no HD1:sc= -0.359! C(o=-9.1!,f=-3.7!) USER MOD Set 2.1: A 93 MET CE :methyl 138:sc= -1.66 (180deg=-3.85!) USER MOD Set 2.2: A 103 SER OG : rot -17:sc= 1.02 USER MOD Set 3.1: A 53 SER OG : rot -150:sc= 0.0155 USER MOD Set 3.2: A 68 ASN : amide:sc= -0.215 X(o=-0.19,f=-0.19) USER MOD Set 3.3: A 95 GLN : amide:sc= 0.0141 X(o=-0.19,f=-0.46) USER MOD Set 3.4: A 100 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 52 TYR OH : rot 49:sc= -0.475 USER MOD Set 4.2: A 75 MET CE :methyl 161:sc= -0.934 (180deg=-1.59!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 0.4! USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.179 F(o=-1.3!,f=-0.18) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0039 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 160:sc= 0.697! USER MOD Single : A 31 THR OG1 : rot 125:sc= 0.608 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0187 USER MOD Single : A 40 THR OG1 : rot 177:sc= 0.429 USER MOD Single : A 43 SER OG : rot 130:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.392 X(o=-0.39,f=0.04) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -157:sc= 0.158 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0207 (180deg=-0.214) USER MOD Single : A 69 THR OG1 : rot 101:sc= 1.2 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.577 X(o=-0.58,f=-0.35) USER MOD Single : A 76 GLN : amide:sc= -9.38! C(o=-9.4!,f=-15!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 80 GLN : amide:sc= -0.897 K(o=-0.9,f=-3.2!) USER MOD Single : A 81 ASN : amide:sc= -0.0116 X(o=-0.012,f=-0.012) USER MOD Single : A 83 MET CE :methyl -144:sc= 0 (180deg=-0.0259) USER MOD Single : A 86 THR OG1 : rot 63:sc= 0.48 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.149 USER MOD Single : A 104 SER OG : rot -63:sc= 0.43 USER MOD Single : A 111 THR OG1 : rot -155:sc= 2.15 USER MOD Single : A 112 GLN : amide:sc= -0.0534 K(o=-0.053,f=-2) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.774 3.228 -43.736 1.00 0.00 N ATOM 2 CA GLY A 1 10.897 4.384 -43.715 1.00 0.00 C ATOM 3 C GLY A 1 11.661 5.689 -43.614 1.00 0.00 C ATOM 4 O GLY A 1 12.088 6.085 -42.529 1.00 0.00 O ATOM 0 H1 GLY A 1 11.204 2.361 -43.806 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.411 3.290 -44.556 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.336 3.203 -42.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.289 4.392 -44.620 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.212 4.301 -42.871 1.00 0.00 H new ATOM 8 N SER A 2 11.837 6.360 -44.749 1.00 0.00 N ATOM 9 CA SER A 2 12.560 7.626 -44.784 1.00 0.00 C ATOM 10 C SER A 2 11.649 8.783 -44.388 1.00 0.00 C ATOM 11 O SER A 2 10.577 8.969 -44.964 1.00 0.00 O ATOM 12 CB SER A 2 13.135 7.869 -46.181 1.00 0.00 C ATOM 13 OG SER A 2 14.096 8.911 -46.162 1.00 0.00 O ATOM 0 H SER A 2 11.489 6.048 -45.656 1.00 0.00 H new ATOM 0 HA SER A 2 13.378 7.570 -44.066 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.594 6.953 -46.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.330 8.125 -46.870 1.00 0.00 H new ATOM 0 HG SER A 2 14.450 9.046 -47.066 1.00 0.00 H new ATOM 19 N SER A 3 12.083 9.558 -43.400 1.00 0.00 N ATOM 20 CA SER A 3 11.306 10.696 -42.922 1.00 0.00 C ATOM 21 C SER A 3 12.223 11.809 -42.423 1.00 0.00 C ATOM 22 O SER A 3 13.419 11.602 -42.227 1.00 0.00 O ATOM 23 CB SER A 3 10.359 10.260 -41.803 1.00 0.00 C ATOM 24 OG SER A 3 11.072 9.991 -40.608 1.00 0.00 O ATOM 0 H SER A 3 12.969 9.419 -42.914 1.00 0.00 H new ATOM 0 HA SER A 3 10.719 11.080 -43.756 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.621 11.041 -41.622 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.811 9.370 -42.112 1.00 0.00 H new ATOM 0 HG SER A 3 10.444 9.716 -39.907 1.00 0.00 H new ATOM 30 N GLY A 4 11.651 12.992 -42.220 1.00 0.00 N ATOM 31 CA GLY A 4 12.429 14.121 -41.747 1.00 0.00 C ATOM 32 C GLY A 4 11.580 15.151 -41.028 1.00 0.00 C ATOM 33 O GLY A 4 10.487 15.489 -41.481 1.00 0.00 O ATOM 0 H GLY A 4 10.662 13.188 -42.375 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.209 13.764 -41.074 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.929 14.593 -42.593 1.00 0.00 H new ATOM 37 N SER A 5 12.083 15.650 -39.903 1.00 0.00 N ATOM 38 CA SER A 5 11.360 16.643 -39.117 1.00 0.00 C ATOM 39 C SER A 5 12.253 17.228 -38.028 1.00 0.00 C ATOM 40 O SER A 5 13.058 16.520 -37.422 1.00 0.00 O ATOM 41 CB SER A 5 10.113 16.018 -38.489 1.00 0.00 C ATOM 42 OG SER A 5 10.442 14.853 -37.752 1.00 0.00 O ATOM 0 H SER A 5 12.988 15.383 -39.516 1.00 0.00 H new ATOM 0 HA SER A 5 11.056 17.449 -39.785 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.630 16.743 -37.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.395 15.767 -39.270 1.00 0.00 H new ATOM 0 HG SER A 5 9.628 14.474 -37.359 1.00 0.00 H new ATOM 48 N SER A 6 12.105 18.526 -37.784 1.00 0.00 N ATOM 49 CA SER A 6 12.900 19.210 -36.770 1.00 0.00 C ATOM 50 C SER A 6 12.219 19.140 -35.407 1.00 0.00 C ATOM 51 O SER A 6 11.066 19.544 -35.256 1.00 0.00 O ATOM 52 CB SER A 6 13.125 20.670 -37.167 1.00 0.00 C ATOM 53 OG SER A 6 11.948 21.436 -36.980 1.00 0.00 O ATOM 0 H SER A 6 11.442 19.126 -38.275 1.00 0.00 H new ATOM 0 HA SER A 6 13.865 18.708 -36.700 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.935 21.091 -36.572 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.435 20.723 -38.211 1.00 0.00 H new ATOM 0 HG SER A 6 11.336 20.955 -36.384 1.00 0.00 H new ATOM 59 N GLY A 7 12.941 18.625 -34.417 1.00 0.00 N ATOM 60 CA GLY A 7 12.390 18.511 -33.079 1.00 0.00 C ATOM 61 C GLY A 7 12.540 19.790 -32.280 1.00 0.00 C ATOM 62 O GLY A 7 13.191 20.735 -32.725 1.00 0.00 O ATOM 0 H GLY A 7 13.897 18.285 -34.517 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.334 18.249 -33.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.888 17.697 -32.552 1.00 0.00 H new ATOM 66 N GLU A 8 11.934 19.822 -31.097 1.00 0.00 N ATOM 67 CA GLU A 8 12.001 20.997 -30.236 1.00 0.00 C ATOM 68 C GLU A 8 12.950 20.759 -29.065 1.00 0.00 C ATOM 69 O GLU A 8 13.283 19.618 -28.743 1.00 0.00 O ATOM 70 CB GLU A 8 10.608 21.354 -29.714 1.00 0.00 C ATOM 71 CG GLU A 8 10.075 20.375 -28.682 1.00 0.00 C ATOM 72 CD GLU A 8 8.573 20.478 -28.501 1.00 0.00 C ATOM 73 OE1 GLU A 8 7.835 19.939 -29.352 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.135 21.097 -27.508 1.00 0.00 O ATOM 0 H GLU A 8 11.391 19.048 -30.713 1.00 0.00 H new ATOM 0 HA GLU A 8 12.383 21.829 -30.828 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.638 22.351 -29.275 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.915 21.397 -30.554 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.332 19.360 -28.983 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.566 20.558 -27.726 1.00 0.00 H new ATOM 81 N HIS A 9 13.382 21.845 -28.431 1.00 0.00 N ATOM 82 CA HIS A 9 14.292 21.756 -27.295 1.00 0.00 C ATOM 83 C HIS A 9 13.518 21.692 -25.982 1.00 0.00 C ATOM 84 O HIS A 9 13.094 22.717 -25.450 1.00 0.00 O ATOM 85 CB HIS A 9 15.243 22.953 -27.282 1.00 0.00 C ATOM 86 CG HIS A 9 14.581 24.249 -27.635 1.00 0.00 C ATOM 87 ND1 HIS A 9 14.227 24.765 -28.835 1.00 0.00 N flip ATOM 88 CD2 HIS A 9 14.206 25.183 -26.693 1.00 0.00 C flip ATOM 89 CE1 HIS A 9 13.650 25.988 -28.599 1.00 0.00 C flip ATOM 90 NE2 HIS A 9 13.649 26.217 -27.298 1.00 0.00 N flip ATOM 0 H HIS A 9 13.116 22.796 -28.685 1.00 0.00 H new ATOM 0 HA HIS A 9 14.874 20.840 -27.398 1.00 0.00 H new ATOM 0 HB2 HIS A 9 15.690 23.041 -26.292 1.00 0.00 H new ATOM 0 HB3 HIS A 9 16.057 22.768 -27.983 1.00 0.00 H new ATOM 0 HD2 HIS A 9 14.346 25.085 -25.627 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.260 26.655 -29.354 1.00 0.00 H new ATOM 0 HE2 HIS A 9 13.281 27.050 -26.839 1.00 0.00 H new ATOM 99 N ALA A 10 13.337 20.481 -25.466 1.00 0.00 N ATOM 100 CA ALA A 10 12.615 20.284 -24.215 1.00 0.00 C ATOM 101 C ALA A 10 13.524 19.688 -23.145 1.00 0.00 C ATOM 102 O ALA A 10 13.564 18.476 -22.934 1.00 0.00 O ATOM 103 CB ALA A 10 11.405 19.389 -24.439 1.00 0.00 C ATOM 0 H ALA A 10 13.680 19.622 -25.895 1.00 0.00 H new ATOM 0 HA ALA A 10 12.273 21.258 -23.864 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.875 19.251 -23.496 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.738 19.854 -25.165 1.00 0.00 H new ATOM 0 HB3 ALA A 10 11.734 18.421 -24.816 1.00 0.00 H new ATOM 109 N PRO A 11 14.273 20.559 -22.452 1.00 0.00 N ATOM 110 CA PRO A 11 15.195 20.142 -21.391 1.00 0.00 C ATOM 111 C PRO A 11 14.464 19.634 -20.153 1.00 0.00 C ATOM 112 O PRO A 11 13.234 19.588 -20.122 1.00 0.00 O ATOM 113 CB PRO A 11 15.968 21.423 -21.069 1.00 0.00 C ATOM 114 CG PRO A 11 15.051 22.528 -21.466 1.00 0.00 C ATOM 115 CD PRO A 11 14.276 22.018 -22.649 1.00 0.00 C ATOM 0 HA PRO A 11 15.829 19.313 -21.705 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.219 21.478 -20.010 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.906 21.469 -21.622 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.383 22.794 -20.647 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.611 23.426 -21.725 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.264 22.423 -22.671 1.00 0.00 H new ATOM 0 HD3 PRO A 11 14.751 22.295 -23.590 1.00 0.00 H new ATOM 123 N ALA A 12 15.228 19.255 -19.134 1.00 0.00 N ATOM 124 CA ALA A 12 14.652 18.754 -17.893 1.00 0.00 C ATOM 125 C ALA A 12 15.688 18.736 -16.775 1.00 0.00 C ATOM 126 O ALA A 12 16.892 18.683 -17.030 1.00 0.00 O ATOM 127 CB ALA A 12 14.075 17.361 -18.103 1.00 0.00 C ATOM 0 H ALA A 12 16.247 19.286 -19.144 1.00 0.00 H new ATOM 0 HA ALA A 12 13.848 19.428 -17.597 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.648 16.999 -17.168 1.00 0.00 H new ATOM 0 HB2 ALA A 12 13.297 17.401 -18.866 1.00 0.00 H new ATOM 0 HB3 ALA A 12 14.866 16.684 -18.426 1.00 0.00 H new ATOM 133 N THR A 13 15.214 18.780 -15.533 1.00 0.00 N ATOM 134 CA THR A 13 16.100 18.771 -14.376 1.00 0.00 C ATOM 135 C THR A 13 16.021 17.442 -13.634 1.00 0.00 C ATOM 136 O THR A 13 15.090 17.202 -12.864 1.00 0.00 O ATOM 137 CB THR A 13 15.760 19.912 -13.399 1.00 0.00 C ATOM 138 OG1 THR A 13 15.801 21.170 -14.082 1.00 0.00 O ATOM 139 CG2 THR A 13 16.733 19.932 -12.230 1.00 0.00 C ATOM 0 H THR A 13 14.221 18.822 -15.303 1.00 0.00 H new ATOM 0 HA THR A 13 17.113 18.915 -14.752 1.00 0.00 H new ATOM 0 HB THR A 13 14.755 19.742 -13.012 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.582 21.890 -13.454 1.00 0.00 H new ATOM 0 HG21 THR A 13 16.473 20.746 -11.554 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.678 18.984 -11.695 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.747 20.080 -12.603 1.00 0.00 H new ATOM 147 N THR A 14 17.005 16.579 -13.868 1.00 0.00 N ATOM 148 CA THR A 14 17.047 15.273 -13.222 1.00 0.00 C ATOM 149 C THR A 14 17.882 15.317 -11.948 1.00 0.00 C ATOM 150 O THR A 14 18.976 15.880 -11.931 1.00 0.00 O ATOM 151 CB THR A 14 17.622 14.199 -14.164 1.00 0.00 C ATOM 152 OG1 THR A 14 18.847 14.660 -14.743 1.00 0.00 O ATOM 153 CG2 THR A 14 16.631 13.858 -15.267 1.00 0.00 C ATOM 0 H THR A 14 17.784 16.761 -14.501 1.00 0.00 H new ATOM 0 HA THR A 14 16.019 15.011 -12.970 1.00 0.00 H new ATOM 0 HB THR A 14 17.813 13.300 -13.579 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.207 13.971 -15.339 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.060 13.097 -15.919 1.00 0.00 H new ATOM 0 HG22 THR A 14 15.710 13.479 -14.824 1.00 0.00 H new ATOM 0 HG23 THR A 14 16.412 14.753 -15.849 1.00 0.00 H new ATOM 161 N GLY A 15 17.360 14.717 -10.883 1.00 0.00 N ATOM 162 CA GLY A 15 18.073 14.698 -9.619 1.00 0.00 C ATOM 163 C GLY A 15 17.693 13.510 -8.756 1.00 0.00 C ATOM 164 O GLY A 15 17.230 12.481 -9.249 1.00 0.00 O ATOM 0 H GLY A 15 16.456 14.244 -10.873 1.00 0.00 H new ATOM 0 HA2 GLY A 15 19.146 14.675 -9.811 1.00 0.00 H new ATOM 0 HA3 GLY A 15 17.866 15.619 -9.075 1.00 0.00 H new ATOM 168 N PRO A 16 17.892 13.645 -7.437 1.00 0.00 N ATOM 169 CA PRO A 16 17.574 12.584 -6.476 1.00 0.00 C ATOM 170 C PRO A 16 16.072 12.367 -6.328 1.00 0.00 C ATOM 171 O PRO A 16 15.276 13.275 -6.571 1.00 0.00 O ATOM 172 CB PRO A 16 18.172 13.101 -5.166 1.00 0.00 C ATOM 173 CG PRO A 16 18.197 14.583 -5.319 1.00 0.00 C ATOM 174 CD PRO A 16 18.440 14.844 -6.780 1.00 0.00 C ATOM 0 HA PRO A 16 17.971 11.618 -6.789 1.00 0.00 H new ATOM 0 HB2 PRO A 16 17.568 12.802 -4.310 1.00 0.00 H new ATOM 0 HB3 PRO A 16 19.174 12.703 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 16 17.255 15.025 -4.995 1.00 0.00 H new ATOM 0 HG3 PRO A 16 18.983 15.025 -4.707 1.00 0.00 H new ATOM 0 HD2 PRO A 16 17.937 15.751 -7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 16 19.501 14.970 -6.995 1.00 0.00 H new ATOM 182 N LEU A 17 15.691 11.159 -5.927 1.00 0.00 N ATOM 183 CA LEU A 17 14.283 10.822 -5.746 1.00 0.00 C ATOM 184 C LEU A 17 13.949 10.660 -4.266 1.00 0.00 C ATOM 185 O LEU A 17 14.811 10.365 -3.438 1.00 0.00 O ATOM 186 CB LEU A 17 13.945 9.535 -6.500 1.00 0.00 C ATOM 187 CG LEU A 17 13.830 9.659 -8.020 1.00 0.00 C ATOM 188 CD1 LEU A 17 14.033 8.306 -8.683 1.00 0.00 C ATOM 189 CD2 LEU A 17 12.480 10.247 -8.407 1.00 0.00 C ATOM 0 H LEU A 17 16.337 10.397 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 17 13.684 11.639 -6.148 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.710 8.793 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.002 9.149 -6.114 1.00 0.00 H new ATOM 0 HG LEU A 17 14.612 10.333 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.948 8.414 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 17 15.023 7.923 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.274 7.609 -8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.416 10.328 -9.492 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.683 9.598 -8.044 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.373 11.236 -7.962 1.00 0.00 H new ATOM 201 N PRO A 18 12.666 10.856 -3.924 1.00 0.00 N ATOM 202 CA PRO A 18 12.188 10.734 -2.544 1.00 0.00 C ATOM 203 C PRO A 18 12.201 9.291 -2.051 1.00 0.00 C ATOM 204 O PRO A 18 12.835 8.425 -2.654 1.00 0.00 O ATOM 205 CB PRO A 18 10.752 11.260 -2.619 1.00 0.00 C ATOM 206 CG PRO A 18 10.340 11.037 -4.034 1.00 0.00 C ATOM 207 CD PRO A 18 11.585 11.210 -4.859 1.00 0.00 C ATOM 0 HA PRO A 18 12.821 11.279 -1.844 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.099 10.727 -1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.703 12.316 -2.354 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.920 10.040 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.571 11.749 -4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.581 10.559 -5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.687 12.232 -5.223 1.00 0.00 H new ATOM 215 N SER A 19 11.498 9.040 -0.952 1.00 0.00 N ATOM 216 CA SER A 19 11.432 7.702 -0.375 1.00 0.00 C ATOM 217 C SER A 19 9.990 7.317 -0.058 1.00 0.00 C ATOM 218 O SER A 19 9.237 8.106 0.512 1.00 0.00 O ATOM 219 CB SER A 19 12.283 7.628 0.894 1.00 0.00 C ATOM 220 OG SER A 19 13.606 8.072 0.647 1.00 0.00 O ATOM 0 H SER A 19 10.966 9.745 -0.443 1.00 0.00 H new ATOM 0 HA SER A 19 11.825 6.997 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.831 8.239 1.675 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.303 6.603 1.263 1.00 0.00 H new ATOM 0 HG SER A 19 14.129 8.017 1.474 1.00 0.00 H new ATOM 226 N ALA A 20 9.614 6.099 -0.431 1.00 0.00 N ATOM 227 CA ALA A 20 8.264 5.607 -0.185 1.00 0.00 C ATOM 228 C ALA A 20 7.785 5.993 1.211 1.00 0.00 C ATOM 229 O ALA A 20 8.579 6.229 2.122 1.00 0.00 O ATOM 230 CB ALA A 20 8.210 4.098 -0.365 1.00 0.00 C ATOM 0 H ALA A 20 10.225 5.434 -0.905 1.00 0.00 H new ATOM 0 HA ALA A 20 7.597 6.072 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.196 3.745 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.501 3.842 -1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.895 3.623 0.338 1.00 0.00 H new ATOM 236 N PRO A 21 6.457 6.059 1.385 1.00 0.00 N ATOM 237 CA PRO A 21 5.843 6.415 2.668 1.00 0.00 C ATOM 238 C PRO A 21 6.026 5.327 3.720 1.00 0.00 C ATOM 239 O PRO A 21 6.505 4.234 3.419 1.00 0.00 O ATOM 240 CB PRO A 21 4.362 6.579 2.319 1.00 0.00 C ATOM 241 CG PRO A 21 4.161 5.730 1.112 1.00 0.00 C ATOM 242 CD PRO A 21 5.452 5.790 0.343 1.00 0.00 C ATOM 0 HA PRO A 21 6.294 7.308 3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 21 3.723 6.256 3.141 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.116 7.621 2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 21 3.921 4.704 1.392 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.331 6.099 0.510 1.00 0.00 H new ATOM 0 HD2 PRO A 21 5.654 4.854 -0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.434 6.577 -0.411 1.00 0.00 H new ATOM 250 N ARG A 22 5.640 5.633 4.955 1.00 0.00 N ATOM 251 CA ARG A 22 5.761 4.681 6.052 1.00 0.00 C ATOM 252 C ARG A 22 4.403 4.413 6.693 1.00 0.00 C ATOM 253 O ARG A 22 3.384 4.950 6.258 1.00 0.00 O ATOM 254 CB ARG A 22 6.740 5.205 7.104 1.00 0.00 C ATOM 255 CG ARG A 22 7.953 5.905 6.513 1.00 0.00 C ATOM 256 CD ARG A 22 9.063 4.917 6.190 1.00 0.00 C ATOM 257 NE ARG A 22 8.741 4.092 5.029 1.00 0.00 N ATOM 258 CZ ARG A 22 9.478 3.060 4.634 1.00 0.00 C ATOM 259 NH1 ARG A 22 10.573 2.727 5.303 1.00 0.00 N ATOM 260 NH2 ARG A 22 9.119 2.357 3.567 1.00 0.00 N ATOM 0 H ARG A 22 5.241 6.533 5.220 1.00 0.00 H new ATOM 0 HA ARG A 22 6.142 3.744 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.216 5.898 7.762 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.077 4.372 7.721 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.662 6.436 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.322 6.652 7.216 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.989 5.461 6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.239 4.275 7.053 1.00 0.00 H new ATOM 0 HE ARG A 22 7.904 4.321 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.852 3.264 6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.136 1.934 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.277 2.609 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.685 1.565 3.264 1.00 0.00 H new ATOM 274 N ASP A 23 4.397 3.580 7.727 1.00 0.00 N ATOM 275 CA ASP A 23 3.164 3.242 8.429 1.00 0.00 C ATOM 276 C ASP A 23 2.074 2.828 7.445 1.00 0.00 C ATOM 277 O ASP A 23 0.909 3.190 7.605 1.00 0.00 O ATOM 278 CB ASP A 23 2.687 4.429 9.268 1.00 0.00 C ATOM 279 CG ASP A 23 3.754 4.930 10.221 1.00 0.00 C ATOM 280 OD1 ASP A 23 4.076 4.204 11.185 1.00 0.00 O ATOM 281 OD2 ASP A 23 4.266 6.047 10.003 1.00 0.00 O ATOM 0 H ASP A 23 5.232 3.126 8.098 1.00 0.00 H new ATOM 0 HA ASP A 23 3.371 2.400 9.090 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.385 5.240 8.606 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.804 4.137 9.837 1.00 0.00 H new ATOM 286 N VAL A 24 2.462 2.068 6.426 1.00 0.00 N ATOM 287 CA VAL A 24 1.519 1.605 5.415 1.00 0.00 C ATOM 288 C VAL A 24 0.577 0.551 5.985 1.00 0.00 C ATOM 289 O VAL A 24 0.989 -0.570 6.283 1.00 0.00 O ATOM 290 CB VAL A 24 2.250 1.017 4.193 1.00 0.00 C ATOM 291 CG1 VAL A 24 1.249 0.494 3.174 1.00 0.00 C ATOM 292 CG2 VAL A 24 3.164 2.060 3.568 1.00 0.00 C ATOM 0 H VAL A 24 3.423 1.760 6.279 1.00 0.00 H new ATOM 0 HA VAL A 24 0.941 2.473 5.100 1.00 0.00 H new ATOM 0 HB VAL A 24 2.865 0.181 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.783 0.082 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.639 -0.286 3.630 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.607 1.310 2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.673 1.628 2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.572 2.918 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.903 2.383 4.301 1.00 0.00 H new ATOM 302 N VAL A 25 -0.692 0.918 6.134 1.00 0.00 N ATOM 303 CA VAL A 25 -1.695 0.004 6.667 1.00 0.00 C ATOM 304 C VAL A 25 -3.052 0.232 6.010 1.00 0.00 C ATOM 305 O VAL A 25 -3.283 1.266 5.384 1.00 0.00 O ATOM 306 CB VAL A 25 -1.843 0.160 8.192 1.00 0.00 C ATOM 307 CG1 VAL A 25 -0.481 0.114 8.868 1.00 0.00 C ATOM 308 CG2 VAL A 25 -2.570 1.453 8.528 1.00 0.00 C ATOM 0 H VAL A 25 -1.050 1.842 5.893 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.352 -1.006 6.444 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.438 -0.672 8.568 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.605 0.226 9.945 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.001 -0.841 8.655 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.141 0.925 8.489 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.665 1.546 9.610 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.005 2.300 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.562 1.441 8.076 1.00 0.00 H new ATOM 318 N ALA A 26 -3.946 -0.739 6.158 1.00 0.00 N ATOM 319 CA ALA A 26 -5.281 -0.643 5.582 1.00 0.00 C ATOM 320 C ALA A 26 -6.302 -0.211 6.629 1.00 0.00 C ATOM 321 O ALA A 26 -6.702 -1.002 7.483 1.00 0.00 O ATOM 322 CB ALA A 26 -5.687 -1.973 4.965 1.00 0.00 C ATOM 0 H ALA A 26 -3.770 -1.602 6.672 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.258 0.116 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.686 -1.886 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.980 -2.241 4.180 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.686 -2.746 5.734 1.00 0.00 H new ATOM 328 N SER A 27 -6.718 1.050 6.559 1.00 0.00 N ATOM 329 CA SER A 27 -7.689 1.588 7.504 1.00 0.00 C ATOM 330 C SER A 27 -8.950 0.730 7.536 1.00 0.00 C ATOM 331 O SER A 27 -9.635 0.650 8.557 1.00 0.00 O ATOM 332 CB SER A 27 -8.047 3.029 7.134 1.00 0.00 C ATOM 333 OG SER A 27 -9.285 3.410 7.709 1.00 0.00 O ATOM 0 H SER A 27 -6.398 1.718 5.858 1.00 0.00 H new ATOM 0 HA SER A 27 -7.238 1.576 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 27 -7.261 3.702 7.477 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.100 3.127 6.050 1.00 0.00 H new ATOM 0 HG SER A 27 -9.491 4.335 7.459 1.00 0.00 H new ATOM 339 N LEU A 28 -9.251 0.090 6.412 1.00 0.00 N ATOM 340 CA LEU A 28 -10.429 -0.763 6.309 1.00 0.00 C ATOM 341 C LEU A 28 -10.319 -1.703 5.113 1.00 0.00 C ATOM 342 O LEU A 28 -9.662 -1.387 4.120 1.00 0.00 O ATOM 343 CB LEU A 28 -11.692 0.091 6.186 1.00 0.00 C ATOM 344 CG LEU A 28 -12.897 -0.583 5.528 1.00 0.00 C ATOM 345 CD1 LEU A 28 -14.184 0.127 5.917 1.00 0.00 C ATOM 346 CD2 LEU A 28 -12.734 -0.605 4.015 1.00 0.00 C ATOM 0 H LEU A 28 -8.695 0.146 5.559 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.491 -1.365 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.984 0.418 7.184 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.446 0.987 5.616 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.953 -1.612 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -15.030 -0.367 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -14.306 0.091 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -14.139 1.166 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -13.600 -1.088 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.653 0.416 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.832 -1.159 3.754 1.00 0.00 H new ATOM 358 N VAL A 29 -10.967 -2.859 5.213 1.00 0.00 N ATOM 359 CA VAL A 29 -10.945 -3.844 4.138 1.00 0.00 C ATOM 360 C VAL A 29 -12.357 -4.178 3.670 1.00 0.00 C ATOM 361 O VAL A 29 -13.061 -4.965 4.301 1.00 0.00 O ATOM 362 CB VAL A 29 -10.242 -5.141 4.580 1.00 0.00 C ATOM 363 CG1 VAL A 29 -10.451 -6.240 3.550 1.00 0.00 C ATOM 364 CG2 VAL A 29 -8.759 -4.891 4.810 1.00 0.00 C ATOM 0 H VAL A 29 -11.514 -3.137 6.028 1.00 0.00 H new ATOM 0 HA VAL A 29 -10.387 -3.400 3.313 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.683 -5.469 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.947 -7.148 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.517 -6.437 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.039 -5.924 2.592 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.278 -5.818 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.302 -4.538 3.886 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.633 -4.138 5.588 1.00 0.00 H new ATOM 374 N SER A 30 -12.763 -3.575 2.557 1.00 0.00 N ATOM 375 CA SER A 30 -14.093 -3.806 2.005 1.00 0.00 C ATOM 376 C SER A 30 -14.098 -5.031 1.095 1.00 0.00 C ATOM 377 O SER A 30 -13.057 -5.442 0.580 1.00 0.00 O ATOM 378 CB SER A 30 -14.566 -2.577 1.226 1.00 0.00 C ATOM 379 OG SER A 30 -15.462 -2.942 0.191 1.00 0.00 O ATOM 0 H SER A 30 -12.191 -2.923 2.020 1.00 0.00 H new ATOM 0 HA SER A 30 -14.777 -3.987 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.055 -1.879 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 30 -13.706 -2.059 0.801 1.00 0.00 H new ATOM 0 HG SER A 30 -15.987 -2.160 -0.078 1.00 0.00 H new ATOM 385 N THR A 31 -15.278 -5.612 0.901 1.00 0.00 N ATOM 386 CA THR A 31 -15.420 -6.790 0.055 1.00 0.00 C ATOM 387 C THR A 31 -15.226 -6.438 -1.415 1.00 0.00 C ATOM 388 O THR A 31 -14.882 -7.296 -2.229 1.00 0.00 O ATOM 389 CB THR A 31 -16.802 -7.448 0.236 1.00 0.00 C ATOM 390 OG1 THR A 31 -17.836 -6.484 0.009 1.00 0.00 O ATOM 391 CG2 THR A 31 -16.944 -8.033 1.633 1.00 0.00 C ATOM 0 H THR A 31 -16.149 -5.285 1.319 1.00 0.00 H new ATOM 0 HA THR A 31 -14.647 -7.495 0.362 1.00 0.00 H new ATOM 0 HB THR A 31 -16.894 -8.256 -0.490 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.447 -6.816 -0.682 1.00 0.00 H new ATOM 0 HG21 THR A 31 -17.927 -8.492 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.173 -8.787 1.792 1.00 0.00 H new ATOM 0 HG23 THR A 31 -16.834 -7.240 2.373 1.00 0.00 H new ATOM 399 N ARG A 32 -15.448 -5.171 -1.750 1.00 0.00 N ATOM 400 CA ARG A 32 -15.298 -4.706 -3.124 1.00 0.00 C ATOM 401 C ARG A 32 -14.184 -3.668 -3.227 1.00 0.00 C ATOM 402 O ARG A 32 -13.868 -3.188 -4.316 1.00 0.00 O ATOM 403 CB ARG A 32 -16.613 -4.111 -3.630 1.00 0.00 C ATOM 404 CG ARG A 32 -17.790 -5.068 -3.539 1.00 0.00 C ATOM 405 CD ARG A 32 -19.103 -4.370 -3.858 1.00 0.00 C ATOM 406 NE ARG A 32 -20.111 -5.301 -4.355 1.00 0.00 N ATOM 407 CZ ARG A 32 -20.010 -5.944 -5.513 1.00 0.00 C ATOM 408 NH1 ARG A 32 -18.950 -5.758 -6.288 1.00 0.00 N ATOM 409 NH2 ARG A 32 -20.970 -6.776 -5.898 1.00 0.00 N ATOM 0 H ARG A 32 -15.732 -4.448 -1.089 1.00 0.00 H new ATOM 0 HA ARG A 32 -15.033 -5.562 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.841 -3.213 -3.055 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.487 -3.802 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -17.640 -5.897 -4.231 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -17.837 -5.494 -2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -19.477 -3.875 -2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.929 -3.593 -4.602 1.00 0.00 H new ATOM 0 HE ARG A 32 -20.938 -5.467 -3.782 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.210 -5.120 -5.995 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.875 -6.253 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -21.787 -6.922 -5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.891 -7.269 -6.787 1.00 0.00 H new ATOM 423 N PHE A 33 -13.594 -3.325 -2.087 1.00 0.00 N ATOM 424 CA PHE A 33 -12.517 -2.343 -2.049 1.00 0.00 C ATOM 425 C PHE A 33 -11.723 -2.456 -0.751 1.00 0.00 C ATOM 426 O PHE A 33 -12.017 -3.299 0.097 1.00 0.00 O ATOM 427 CB PHE A 33 -13.082 -0.929 -2.193 1.00 0.00 C ATOM 428 CG PHE A 33 -13.580 -0.348 -0.900 1.00 0.00 C ATOM 429 CD1 PHE A 33 -12.715 0.317 -0.045 1.00 0.00 C ATOM 430 CD2 PHE A 33 -14.913 -0.468 -0.539 1.00 0.00 C ATOM 431 CE1 PHE A 33 -13.170 0.852 1.145 1.00 0.00 C ATOM 432 CE2 PHE A 33 -15.373 0.067 0.649 1.00 0.00 C ATOM 433 CZ PHE A 33 -14.501 0.726 1.493 1.00 0.00 C ATOM 0 H PHE A 33 -13.844 -3.713 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 33 -11.846 -2.545 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -12.309 -0.277 -2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.899 -0.945 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.673 0.418 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -15.599 -0.985 -1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -12.486 1.368 1.802 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -16.415 -0.030 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 33 -14.859 1.142 2.423 1.00 0.00 H new ATOM 443 N ILE A 34 -10.716 -1.602 -0.604 1.00 0.00 N ATOM 444 CA ILE A 34 -9.880 -1.606 0.590 1.00 0.00 C ATOM 445 C ILE A 34 -9.343 -0.210 0.889 1.00 0.00 C ATOM 446 O ILE A 34 -8.730 0.428 0.033 1.00 0.00 O ATOM 447 CB ILE A 34 -8.695 -2.579 0.445 1.00 0.00 C ATOM 448 CG1 ILE A 34 -9.201 -3.995 0.160 1.00 0.00 C ATOM 449 CG2 ILE A 34 -7.837 -2.560 1.701 1.00 0.00 C ATOM 450 CD1 ILE A 34 -8.101 -4.969 -0.198 1.00 0.00 C ATOM 0 H ILE A 34 -10.459 -0.899 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.511 -1.935 1.416 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.081 -2.257 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.732 -4.366 1.037 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.922 -3.957 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.004 -3.253 1.583 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.452 -1.553 1.863 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.440 -2.860 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.533 -5.952 -0.387 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.584 -4.622 -1.093 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.392 -5.037 0.627 1.00 0.00 H new ATOM 462 N LYS A 35 -9.576 0.258 2.111 1.00 0.00 N ATOM 463 CA LYS A 35 -9.113 1.576 2.526 1.00 0.00 C ATOM 464 C LYS A 35 -7.662 1.523 2.992 1.00 0.00 C ATOM 465 O LYS A 35 -7.319 0.769 3.903 1.00 0.00 O ATOM 466 CB LYS A 35 -10.000 2.120 3.649 1.00 0.00 C ATOM 467 CG LYS A 35 -9.712 3.568 4.005 1.00 0.00 C ATOM 468 CD LYS A 35 -10.532 4.525 3.155 1.00 0.00 C ATOM 469 CE LYS A 35 -9.945 5.927 3.170 1.00 0.00 C ATOM 470 NZ LYS A 35 -10.462 6.733 4.311 1.00 0.00 N ATOM 0 H LYS A 35 -10.083 -0.257 2.831 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.175 2.242 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.045 2.029 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.866 1.503 4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.933 3.735 5.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.651 3.774 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.574 4.158 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.557 4.555 3.525 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.859 5.865 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.183 6.430 2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.038 7.682 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.496 6.814 4.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.213 6.266 5.207 1.00 0.00 H new ATOM 484 N LEU A 36 -6.813 2.327 2.361 1.00 0.00 N ATOM 485 CA LEU A 36 -5.398 2.372 2.712 1.00 0.00 C ATOM 486 C LEU A 36 -5.070 3.642 3.492 1.00 0.00 C ATOM 487 O LEU A 36 -5.749 4.661 3.355 1.00 0.00 O ATOM 488 CB LEU A 36 -4.537 2.299 1.450 1.00 0.00 C ATOM 489 CG LEU A 36 -4.121 0.897 1.002 1.00 0.00 C ATOM 490 CD1 LEU A 36 -3.186 0.266 2.023 1.00 0.00 C ATOM 491 CD2 LEU A 36 -5.346 0.021 0.785 1.00 0.00 C ATOM 0 H LEU A 36 -7.080 2.956 1.604 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.179 1.512 3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.083 2.773 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.635 2.889 1.615 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.588 0.982 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.901 -0.731 1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.293 0.883 2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.693 0.194 2.985 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.031 -0.973 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.907 -0.057 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.979 0.465 0.016 1.00 0.00 H new ATOM 503 N THR A 37 -4.024 3.575 4.309 1.00 0.00 N ATOM 504 CA THR A 37 -3.605 4.719 5.110 1.00 0.00 C ATOM 505 C THR A 37 -2.129 4.622 5.477 1.00 0.00 C ATOM 506 O THR A 37 -1.672 3.599 5.986 1.00 0.00 O ATOM 507 CB THR A 37 -4.437 4.835 6.401 1.00 0.00 C ATOM 508 OG1 THR A 37 -4.471 3.573 7.077 1.00 0.00 O ATOM 509 CG2 THR A 37 -5.855 5.289 6.092 1.00 0.00 C ATOM 0 H THR A 37 -3.451 2.740 4.434 1.00 0.00 H new ATOM 0 HA THR A 37 -3.767 5.608 4.501 1.00 0.00 H new ATOM 0 HB THR A 37 -3.967 5.579 7.044 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.001 3.656 7.897 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.423 5.364 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.827 6.263 5.604 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.333 4.566 5.431 1.00 0.00 H new ATOM 517 N TRP A 38 -1.388 5.692 5.215 1.00 0.00 N ATOM 518 CA TRP A 38 0.038 5.728 5.519 1.00 0.00 C ATOM 519 C TRP A 38 0.461 7.115 5.989 1.00 0.00 C ATOM 520 O TRP A 38 -0.309 8.072 5.898 1.00 0.00 O ATOM 521 CB TRP A 38 0.853 5.322 4.289 1.00 0.00 C ATOM 522 CG TRP A 38 0.584 6.180 3.090 1.00 0.00 C ATOM 523 CD1 TRP A 38 1.144 7.394 2.808 1.00 0.00 C ATOM 524 CD2 TRP A 38 -0.313 5.891 2.012 1.00 0.00 C ATOM 525 NE1 TRP A 38 0.650 7.876 1.620 1.00 0.00 N ATOM 526 CE2 TRP A 38 -0.245 6.972 1.112 1.00 0.00 C ATOM 527 CE3 TRP A 38 -1.165 4.822 1.719 1.00 0.00 C ATOM 528 CZ2 TRP A 38 -0.999 7.014 -0.059 1.00 0.00 C ATOM 529 CZ3 TRP A 38 -1.912 4.865 0.557 1.00 0.00 C ATOM 530 CH2 TRP A 38 -1.824 5.954 -0.320 1.00 0.00 C ATOM 0 H TRP A 38 -1.751 6.547 4.793 1.00 0.00 H new ATOM 0 HA TRP A 38 0.230 5.019 6.324 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.914 5.372 4.532 1.00 0.00 H new ATOM 0 HB3 TRP A 38 0.631 4.284 4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 38 1.869 7.901 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.908 8.763 1.187 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.238 3.978 2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.935 7.853 -0.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.575 4.045 0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -2.420 5.957 -1.221 1.00 0.00 H new ATOM 541 N ARG A 39 1.687 7.217 6.491 1.00 0.00 N ATOM 542 CA ARG A 39 2.210 8.488 6.977 1.00 0.00 C ATOM 543 C ARG A 39 3.205 9.081 5.983 1.00 0.00 C ATOM 544 O ARG A 39 3.495 8.485 4.946 1.00 0.00 O ATOM 545 CB ARG A 39 2.882 8.301 8.338 1.00 0.00 C ATOM 546 CG ARG A 39 1.899 8.108 9.481 1.00 0.00 C ATOM 547 CD ARG A 39 2.464 8.626 10.795 1.00 0.00 C ATOM 548 NE ARG A 39 1.475 8.586 11.869 1.00 0.00 N ATOM 549 CZ ARG A 39 1.701 9.050 13.093 1.00 0.00 C ATOM 550 NH1 ARG A 39 2.874 9.588 13.396 1.00 0.00 N ATOM 551 NH2 ARG A 39 0.751 8.978 14.017 1.00 0.00 N ATOM 0 H ARG A 39 2.337 6.435 6.572 1.00 0.00 H new ATOM 0 HA ARG A 39 1.374 9.179 7.085 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.545 7.437 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.505 9.170 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.968 8.628 9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.657 7.050 9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.331 8.028 11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 39 2.813 9.650 10.661 1.00 0.00 H new ATOM 0 HE ARG A 39 0.561 8.180 11.668 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.606 9.647 12.688 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.044 9.943 14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.153 8.566 13.788 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.925 9.335 14.957 1.00 0.00 H new ATOM 565 N THR A 40 3.726 10.261 6.308 1.00 0.00 N ATOM 566 CA THR A 40 4.687 10.936 5.445 1.00 0.00 C ATOM 567 C THR A 40 6.028 10.210 5.442 1.00 0.00 C ATOM 568 O THR A 40 6.473 9.675 6.457 1.00 0.00 O ATOM 569 CB THR A 40 4.907 12.396 5.882 1.00 0.00 C ATOM 570 OG1 THR A 40 4.752 12.511 7.301 1.00 0.00 O ATOM 571 CG2 THR A 40 3.925 13.324 5.183 1.00 0.00 C ATOM 0 H THR A 40 3.498 10.768 7.163 1.00 0.00 H new ATOM 0 HA THR A 40 4.269 10.926 4.438 1.00 0.00 H new ATOM 0 HB THR A 40 5.920 12.687 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.942 13.432 7.577 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.100 14.350 5.508 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.065 13.256 4.104 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.906 13.032 5.436 1.00 0.00 H new ATOM 579 N PRO A 41 6.690 10.192 4.276 1.00 0.00 N ATOM 580 CA PRO A 41 7.991 9.537 4.114 1.00 0.00 C ATOM 581 C PRO A 41 9.106 10.273 4.847 1.00 0.00 C ATOM 582 O PRO A 41 8.979 11.456 5.163 1.00 0.00 O ATOM 583 CB PRO A 41 8.225 9.581 2.601 1.00 0.00 C ATOM 584 CG PRO A 41 7.424 10.745 2.129 1.00 0.00 C ATOM 585 CD PRO A 41 6.219 10.811 3.025 1.00 0.00 C ATOM 0 HA PRO A 41 7.994 8.530 4.530 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.282 9.707 2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.900 8.657 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.004 11.666 2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.129 10.619 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 41 5.892 11.839 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 41 5.373 10.269 2.602 1.00 0.00 H new ATOM 593 N ALA A 42 10.200 9.567 5.114 1.00 0.00 N ATOM 594 CA ALA A 42 11.339 10.155 5.808 1.00 0.00 C ATOM 595 C ALA A 42 11.925 11.318 5.013 1.00 0.00 C ATOM 596 O ALA A 42 12.348 12.322 5.585 1.00 0.00 O ATOM 597 CB ALA A 42 12.403 9.099 6.065 1.00 0.00 C ATOM 0 H ALA A 42 10.321 8.587 4.860 1.00 0.00 H new ATOM 0 HA ALA A 42 10.990 10.543 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.248 9.552 6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.984 8.303 6.680 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.741 8.684 5.115 1.00 0.00 H new ATOM 603 N SER A 43 11.948 11.173 3.692 1.00 0.00 N ATOM 604 CA SER A 43 12.487 12.210 2.820 1.00 0.00 C ATOM 605 C SER A 43 11.587 13.442 2.819 1.00 0.00 C ATOM 606 O SER A 43 12.065 14.573 2.725 1.00 0.00 O ATOM 607 CB SER A 43 12.642 11.676 1.394 1.00 0.00 C ATOM 608 OG SER A 43 12.753 12.737 0.462 1.00 0.00 O ATOM 0 H SER A 43 11.600 10.348 3.203 1.00 0.00 H new ATOM 0 HA SER A 43 13.467 12.498 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.526 11.041 1.334 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.784 11.053 1.140 1.00 0.00 H new ATOM 0 HG SER A 43 13.529 12.584 -0.116 1.00 0.00 H new ATOM 614 N ASP A 44 10.283 13.213 2.924 1.00 0.00 N ATOM 615 CA ASP A 44 9.315 14.303 2.937 1.00 0.00 C ATOM 616 C ASP A 44 8.341 14.152 4.102 1.00 0.00 C ATOM 617 O ASP A 44 7.374 13.394 4.040 1.00 0.00 O ATOM 618 CB ASP A 44 8.545 14.346 1.616 1.00 0.00 C ATOM 619 CG ASP A 44 9.251 15.175 0.561 1.00 0.00 C ATOM 620 OD1 ASP A 44 10.190 14.652 -0.075 1.00 0.00 O ATOM 621 OD2 ASP A 44 8.865 16.348 0.372 1.00 0.00 O ATOM 0 H ASP A 44 9.872 12.283 3.001 1.00 0.00 H new ATOM 0 HA ASP A 44 9.861 15.238 3.062 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.409 13.330 1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.551 14.757 1.792 1.00 0.00 H new ATOM 626 N PRO A 45 8.603 14.890 5.192 1.00 0.00 N ATOM 627 CA PRO A 45 7.762 14.855 6.392 1.00 0.00 C ATOM 628 C PRO A 45 6.398 15.498 6.163 1.00 0.00 C ATOM 629 O PRO A 45 5.484 15.344 6.974 1.00 0.00 O ATOM 630 CB PRO A 45 8.568 15.660 7.414 1.00 0.00 C ATOM 631 CG PRO A 45 9.415 16.571 6.594 1.00 0.00 C ATOM 632 CD PRO A 45 9.739 15.815 5.335 1.00 0.00 C ATOM 0 HA PRO A 45 7.545 13.835 6.708 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.914 16.221 8.081 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.178 15.008 8.040 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.886 17.497 6.368 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.324 16.845 7.129 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.825 16.481 4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.685 15.280 5.419 1.00 0.00 H new ATOM 640 N HIS A 46 6.267 16.218 5.054 1.00 0.00 N ATOM 641 CA HIS A 46 5.013 16.884 4.719 1.00 0.00 C ATOM 642 C HIS A 46 4.368 16.241 3.495 1.00 0.00 C ATOM 643 O HIS A 46 3.151 16.296 3.322 1.00 0.00 O ATOM 644 CB HIS A 46 5.255 18.372 4.460 1.00 0.00 C ATOM 645 CG HIS A 46 5.270 19.201 5.707 1.00 0.00 C ATOM 646 ND1 HIS A 46 4.207 19.987 6.101 1.00 0.00 N ATOM 647 CD2 HIS A 46 6.226 19.364 6.651 1.00 0.00 C ATOM 648 CE1 HIS A 46 4.510 20.598 7.232 1.00 0.00 C ATOM 649 NE2 HIS A 46 5.730 20.237 7.588 1.00 0.00 N ATOM 0 H HIS A 46 7.013 16.355 4.372 1.00 0.00 H new ATOM 0 HA HIS A 46 4.334 16.776 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.206 18.492 3.942 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.479 18.747 3.793 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.199 18.895 6.665 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.869 21.278 7.774 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.223 20.555 8.422 1.00 0.00 H new ATOM 658 N GLY A 47 5.192 15.633 2.647 1.00 0.00 N ATOM 659 CA GLY A 47 4.683 14.989 1.450 1.00 0.00 C ATOM 660 C GLY A 47 3.481 15.710 0.872 1.00 0.00 C ATOM 661 O GLY A 47 2.564 15.078 0.346 1.00 0.00 O ATOM 0 H GLY A 47 6.203 15.575 2.768 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.473 14.946 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.409 13.960 1.683 1.00 0.00 H new ATOM 665 N ASP A 48 3.483 17.034 0.970 1.00 0.00 N ATOM 666 CA ASP A 48 2.384 17.841 0.453 1.00 0.00 C ATOM 667 C ASP A 48 2.683 18.322 -0.964 1.00 0.00 C ATOM 668 O ASP A 48 1.798 18.815 -1.662 1.00 0.00 O ATOM 669 CB ASP A 48 2.128 19.039 1.368 1.00 0.00 C ATOM 670 CG ASP A 48 0.677 19.479 1.354 1.00 0.00 C ATOM 671 OD1 ASP A 48 0.280 20.183 0.403 1.00 0.00 O ATOM 672 OD2 ASP A 48 -0.061 19.120 2.295 1.00 0.00 O ATOM 0 H ASP A 48 4.234 17.572 1.403 1.00 0.00 H new ATOM 0 HA ASP A 48 1.490 17.218 0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.417 18.782 2.387 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.760 19.871 1.058 1.00 0.00 H new ATOM 677 N ASN A 49 3.937 18.177 -1.380 1.00 0.00 N ATOM 678 CA ASN A 49 4.353 18.598 -2.713 1.00 0.00 C ATOM 679 C ASN A 49 4.605 17.391 -3.611 1.00 0.00 C ATOM 680 O ASN A 49 5.195 17.515 -4.686 1.00 0.00 O ATOM 681 CB ASN A 49 5.616 19.457 -2.628 1.00 0.00 C ATOM 682 CG ASN A 49 6.817 18.672 -2.136 1.00 0.00 C ATOM 683 OD1 ASN A 49 7.684 18.286 -2.920 1.00 0.00 O ATOM 684 ND2 ASN A 49 6.873 18.433 -0.831 1.00 0.00 N ATOM 0 H ASN A 49 4.682 17.772 -0.814 1.00 0.00 H new ATOM 0 HA ASN A 49 3.548 19.190 -3.148 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.836 19.874 -3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.436 20.298 -1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.657 17.910 -0.441 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.132 18.772 -0.218 1.00 0.00 H new ATOM 691 N LEU A 50 4.155 16.224 -3.164 1.00 0.00 N ATOM 692 CA LEU A 50 4.330 14.993 -3.928 1.00 0.00 C ATOM 693 C LEU A 50 3.120 14.078 -3.772 1.00 0.00 C ATOM 694 O LEU A 50 2.604 13.895 -2.669 1.00 0.00 O ATOM 695 CB LEU A 50 5.596 14.264 -3.473 1.00 0.00 C ATOM 696 CG LEU A 50 5.939 14.378 -1.987 1.00 0.00 C ATOM 697 CD1 LEU A 50 5.146 13.364 -1.177 1.00 0.00 C ATOM 698 CD2 LEU A 50 7.433 14.187 -1.769 1.00 0.00 C ATOM 0 H LEU A 50 3.666 16.104 -2.277 1.00 0.00 H new ATOM 0 HA LEU A 50 4.428 15.259 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.492 13.208 -3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.438 14.646 -4.050 1.00 0.00 H new ATOM 0 HG LEU A 50 5.667 15.377 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.403 13.460 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.080 13.547 -1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.386 12.357 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.659 14.271 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.730 13.201 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.982 14.952 -2.319 1.00 0.00 H new ATOM 710 N THR A 51 2.671 13.504 -4.884 1.00 0.00 N ATOM 711 CA THR A 51 1.522 12.607 -4.871 1.00 0.00 C ATOM 712 C THR A 51 1.920 11.210 -4.409 1.00 0.00 C ATOM 713 O THR A 51 3.098 10.932 -4.184 1.00 0.00 O ATOM 714 CB THR A 51 0.871 12.509 -6.264 1.00 0.00 C ATOM 715 OG1 THR A 51 0.977 13.765 -6.944 1.00 0.00 O ATOM 716 CG2 THR A 51 -0.592 12.110 -6.150 1.00 0.00 C ATOM 0 H THR A 51 3.086 13.644 -5.805 1.00 0.00 H new ATOM 0 HA THR A 51 0.801 13.027 -4.169 1.00 0.00 H new ATOM 0 HB THR A 51 1.397 11.743 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.562 13.694 -7.829 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.031 12.047 -7.146 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.667 11.140 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.128 12.856 -5.564 1.00 0.00 H new ATOM 724 N TYR A 52 0.932 10.334 -4.270 1.00 0.00 N ATOM 725 CA TYR A 52 1.179 8.965 -3.833 1.00 0.00 C ATOM 726 C TYR A 52 0.470 7.967 -4.742 1.00 0.00 C ATOM 727 O TYR A 52 -0.706 8.132 -5.068 1.00 0.00 O ATOM 728 CB TYR A 52 0.713 8.777 -2.388 1.00 0.00 C ATOM 729 CG TYR A 52 1.529 9.557 -1.382 1.00 0.00 C ATOM 730 CD1 TYR A 52 2.776 9.103 -0.969 1.00 0.00 C ATOM 731 CD2 TYR A 52 1.053 10.746 -0.843 1.00 0.00 C ATOM 732 CE1 TYR A 52 3.525 9.811 -0.050 1.00 0.00 C ATOM 733 CE2 TYR A 52 1.796 11.461 0.075 1.00 0.00 C ATOM 734 CZ TYR A 52 3.032 10.990 0.469 1.00 0.00 C ATOM 735 OH TYR A 52 3.774 11.699 1.385 1.00 0.00 O ATOM 0 H TYR A 52 -0.048 10.547 -4.454 1.00 0.00 H new ATOM 0 HA TYR A 52 2.252 8.781 -3.889 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.331 9.080 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.757 7.717 -2.136 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.166 8.181 -1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.085 11.117 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 52 4.492 9.443 0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.412 12.384 0.483 1.00 0.00 H new ATOM 0 HH TYR A 52 4.690 11.803 1.053 1.00 0.00 H new ATOM 745 N SER A 53 1.194 6.928 -5.148 1.00 0.00 N ATOM 746 CA SER A 53 0.636 5.903 -6.022 1.00 0.00 C ATOM 747 C SER A 53 0.455 4.588 -5.270 1.00 0.00 C ATOM 748 O SER A 53 1.261 4.235 -4.409 1.00 0.00 O ATOM 749 CB SER A 53 1.544 5.689 -7.235 1.00 0.00 C ATOM 750 OG SER A 53 1.340 6.699 -8.209 1.00 0.00 O ATOM 0 H SER A 53 2.168 6.774 -4.886 1.00 0.00 H new ATOM 0 HA SER A 53 -0.341 6.244 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.587 5.691 -6.918 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.346 4.711 -7.674 1.00 0.00 H new ATOM 0 HG SER A 53 1.520 6.335 -9.101 1.00 0.00 H new ATOM 756 N VAL A 54 -0.610 3.865 -5.603 1.00 0.00 N ATOM 757 CA VAL A 54 -0.899 2.589 -4.961 1.00 0.00 C ATOM 758 C VAL A 54 -0.998 1.467 -5.988 1.00 0.00 C ATOM 759 O VAL A 54 -1.908 1.449 -6.818 1.00 0.00 O ATOM 760 CB VAL A 54 -2.210 2.649 -4.154 1.00 0.00 C ATOM 761 CG1 VAL A 54 -2.537 1.286 -3.564 1.00 0.00 C ATOM 762 CG2 VAL A 54 -2.115 3.704 -3.062 1.00 0.00 C ATOM 0 H VAL A 54 -1.287 4.142 -6.314 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.072 2.383 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.019 2.929 -4.828 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.466 1.348 -2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.650 0.559 -4.368 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.729 0.972 -2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.050 3.733 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.295 3.457 -2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.932 4.679 -3.513 1.00 0.00 H new ATOM 772 N PHE A 55 -0.057 0.531 -5.927 1.00 0.00 N ATOM 773 CA PHE A 55 -0.038 -0.596 -6.853 1.00 0.00 C ATOM 774 C PHE A 55 -0.597 -1.852 -6.192 1.00 0.00 C ATOM 775 O PHE A 55 -0.030 -2.363 -5.226 1.00 0.00 O ATOM 776 CB PHE A 55 1.388 -0.855 -7.345 1.00 0.00 C ATOM 777 CG PHE A 55 2.046 0.356 -7.941 1.00 0.00 C ATOM 778 CD1 PHE A 55 2.653 1.301 -7.130 1.00 0.00 C ATOM 779 CD2 PHE A 55 2.057 0.550 -9.313 1.00 0.00 C ATOM 780 CE1 PHE A 55 3.259 2.417 -7.675 1.00 0.00 C ATOM 781 CE2 PHE A 55 2.663 1.663 -9.864 1.00 0.00 C ATOM 782 CZ PHE A 55 3.264 2.599 -9.044 1.00 0.00 C ATOM 0 H PHE A 55 0.703 0.530 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 55 -0.669 -0.345 -7.706 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.992 -1.213 -6.511 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.368 -1.651 -8.089 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.653 1.164 -6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.587 -0.177 -9.959 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.728 3.146 -7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.667 1.801 -10.935 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.736 3.471 -9.473 1.00 0.00 H new ATOM 792 N TYR A 56 -1.712 -2.345 -6.720 1.00 0.00 N ATOM 793 CA TYR A 56 -2.350 -3.540 -6.181 1.00 0.00 C ATOM 794 C TYR A 56 -2.380 -4.657 -7.219 1.00 0.00 C ATOM 795 O TYR A 56 -2.605 -4.414 -8.405 1.00 0.00 O ATOM 796 CB TYR A 56 -3.772 -3.219 -5.718 1.00 0.00 C ATOM 797 CG TYR A 56 -4.591 -2.475 -6.749 1.00 0.00 C ATOM 798 CD1 TYR A 56 -4.519 -1.091 -6.855 1.00 0.00 C ATOM 799 CD2 TYR A 56 -5.436 -3.155 -7.617 1.00 0.00 C ATOM 800 CE1 TYR A 56 -5.265 -0.407 -7.794 1.00 0.00 C ATOM 801 CE2 TYR A 56 -6.185 -2.479 -8.560 1.00 0.00 C ATOM 802 CZ TYR A 56 -6.097 -1.105 -8.645 1.00 0.00 C ATOM 803 OH TYR A 56 -6.842 -0.428 -9.583 1.00 0.00 O ATOM 0 H TYR A 56 -2.193 -1.935 -7.521 1.00 0.00 H new ATOM 0 HA TYR A 56 -1.765 -3.880 -5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.281 -4.149 -5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -3.723 -2.623 -4.807 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -3.868 -0.541 -6.191 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.508 -4.231 -7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.198 0.669 -7.862 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.836 -3.023 -9.228 1.00 0.00 H new ATOM 0 HH TYR A 56 -7.373 -1.067 -10.102 1.00 0.00 H new ATOM 813 N THR A 57 -2.153 -5.885 -6.764 1.00 0.00 N ATOM 814 CA THR A 57 -2.153 -7.041 -7.651 1.00 0.00 C ATOM 815 C THR A 57 -2.375 -8.333 -6.872 1.00 0.00 C ATOM 816 O THR A 57 -1.855 -8.501 -5.768 1.00 0.00 O ATOM 817 CB THR A 57 -0.831 -7.149 -8.435 1.00 0.00 C ATOM 818 OG1 THR A 57 -0.750 -8.420 -9.088 1.00 0.00 O ATOM 819 CG2 THR A 57 0.363 -6.972 -7.509 1.00 0.00 C ATOM 0 H THR A 57 -1.967 -6.105 -5.785 1.00 0.00 H new ATOM 0 HA THR A 57 -2.973 -6.898 -8.354 1.00 0.00 H new ATOM 0 HB THR A 57 -0.812 -6.356 -9.182 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.189 -8.639 -9.262 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.285 -7.052 -8.085 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.315 -5.991 -7.036 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.346 -7.746 -6.742 1.00 0.00 H new ATOM 827 N LYS A 58 -3.149 -9.243 -7.452 1.00 0.00 N ATOM 828 CA LYS A 58 -3.438 -10.521 -6.813 1.00 0.00 C ATOM 829 C LYS A 58 -2.158 -11.321 -6.591 1.00 0.00 C ATOM 830 O LYS A 58 -1.335 -11.454 -7.495 1.00 0.00 O ATOM 831 CB LYS A 58 -4.416 -11.332 -7.667 1.00 0.00 C ATOM 832 CG LYS A 58 -4.933 -12.583 -6.978 1.00 0.00 C ATOM 833 CD LYS A 58 -6.181 -13.119 -7.660 1.00 0.00 C ATOM 834 CE LYS A 58 -5.837 -13.902 -8.918 1.00 0.00 C ATOM 835 NZ LYS A 58 -5.182 -15.201 -8.601 1.00 0.00 N ATOM 0 H LYS A 58 -3.588 -9.119 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.892 -10.319 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.262 -10.699 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.924 -11.617 -8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.157 -13.349 -6.982 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.155 -12.360 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.727 -13.761 -6.969 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.842 -12.290 -7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.745 -14.084 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.176 -13.306 -9.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.223 -15.823 -9.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.189 -15.035 -8.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.676 -15.654 -7.806 1.00 0.00 H new ATOM 849 N GLU A 59 -2.000 -11.851 -5.382 1.00 0.00 N ATOM 850 CA GLU A 59 -0.820 -12.637 -5.042 1.00 0.00 C ATOM 851 C GLU A 59 -0.446 -13.578 -6.185 1.00 0.00 C ATOM 852 O GLU A 59 -1.163 -14.533 -6.477 1.00 0.00 O ATOM 853 CB GLU A 59 -1.066 -13.442 -3.765 1.00 0.00 C ATOM 854 CG GLU A 59 0.196 -13.714 -2.964 1.00 0.00 C ATOM 855 CD GLU A 59 1.128 -14.688 -3.657 1.00 0.00 C ATOM 856 OE1 GLU A 59 0.721 -15.848 -3.873 1.00 0.00 O ATOM 857 OE2 GLU A 59 2.266 -14.289 -3.983 1.00 0.00 O ATOM 0 H GLU A 59 -2.674 -11.750 -4.623 1.00 0.00 H new ATOM 0 HA GLU A 59 0.008 -11.948 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.776 -12.903 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.531 -14.392 -4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.721 -12.775 -2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.077 -14.111 -1.986 1.00 0.00 H new ATOM 864 N GLY A 60 0.684 -13.298 -6.828 1.00 0.00 N ATOM 865 CA GLY A 60 1.134 -14.127 -7.931 1.00 0.00 C ATOM 866 C GLY A 60 1.066 -13.407 -9.263 1.00 0.00 C ATOM 867 O GLY A 60 2.037 -13.395 -10.020 1.00 0.00 O ATOM 0 H GLY A 60 1.295 -12.512 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.160 -14.447 -7.746 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.523 -15.028 -7.977 1.00 0.00 H new ATOM 871 N ILE A 61 -0.084 -12.805 -9.550 1.00 0.00 N ATOM 872 CA ILE A 61 -0.274 -12.080 -10.800 1.00 0.00 C ATOM 873 C ILE A 61 0.860 -11.090 -11.040 1.00 0.00 C ATOM 874 O ILE A 61 1.227 -10.324 -10.149 1.00 0.00 O ATOM 875 CB ILE A 61 -1.615 -11.321 -10.812 1.00 0.00 C ATOM 876 CG1 ILE A 61 -2.778 -12.294 -10.610 1.00 0.00 C ATOM 877 CG2 ILE A 61 -1.778 -10.555 -12.116 1.00 0.00 C ATOM 878 CD1 ILE A 61 -2.877 -13.350 -11.689 1.00 0.00 C ATOM 0 H ILE A 61 -0.897 -12.805 -8.934 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.279 -12.823 -11.598 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.618 -10.605 -9.990 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.667 -12.784 -9.643 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.711 -11.731 -10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.730 -10.024 -12.110 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.963 -9.838 -12.221 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.758 -11.253 -12.953 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.724 -14.004 -11.481 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.019 -12.869 -12.657 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.960 -13.938 -11.707 1.00 0.00 H new ATOM 890 N ALA A 62 1.410 -11.110 -12.249 1.00 0.00 N ATOM 891 CA ALA A 62 2.500 -10.212 -12.608 1.00 0.00 C ATOM 892 C ALA A 62 1.968 -8.911 -13.200 1.00 0.00 C ATOM 893 O ALA A 62 2.707 -8.157 -13.832 1.00 0.00 O ATOM 894 CB ALA A 62 3.445 -10.892 -13.588 1.00 0.00 C ATOM 0 H ALA A 62 1.118 -11.739 -12.997 1.00 0.00 H new ATOM 0 HA ALA A 62 3.050 -9.969 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.254 -10.209 -13.847 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.860 -11.789 -13.130 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.898 -11.165 -14.490 1.00 0.00 H new ATOM 900 N ARG A 63 0.681 -8.655 -12.990 1.00 0.00 N ATOM 901 CA ARG A 63 0.049 -7.446 -13.505 1.00 0.00 C ATOM 902 C ARG A 63 -0.644 -6.675 -12.385 1.00 0.00 C ATOM 903 O ARG A 63 -1.612 -7.155 -11.797 1.00 0.00 O ATOM 904 CB ARG A 63 -0.963 -7.799 -14.597 1.00 0.00 C ATOM 905 CG ARG A 63 -0.350 -7.903 -15.984 1.00 0.00 C ATOM 906 CD ARG A 63 -1.361 -8.403 -17.004 1.00 0.00 C ATOM 907 NE ARG A 63 -2.348 -7.381 -17.342 1.00 0.00 N ATOM 908 CZ ARG A 63 -3.385 -7.597 -18.145 1.00 0.00 C ATOM 909 NH1 ARG A 63 -3.568 -8.792 -18.688 1.00 0.00 N ATOM 910 NH2 ARG A 63 -4.240 -6.617 -18.405 1.00 0.00 N ATOM 0 H ARG A 63 0.056 -9.268 -12.467 1.00 0.00 H new ATOM 0 HA ARG A 63 0.827 -6.813 -13.931 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.439 -8.747 -14.347 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.748 -7.043 -14.612 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.026 -6.927 -16.291 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.505 -8.579 -15.956 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.839 -8.716 -17.908 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.870 -9.282 -16.609 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.235 -6.450 -16.940 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.912 -9.548 -18.490 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.364 -8.956 -19.304 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.102 -5.696 -17.989 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.035 -6.784 -19.021 1.00 0.00 H new ATOM 924 N GLU A 64 -0.140 -5.480 -12.097 1.00 0.00 N ATOM 925 CA GLU A 64 -0.710 -4.644 -11.046 1.00 0.00 C ATOM 926 C GLU A 64 -1.211 -3.320 -11.616 1.00 0.00 C ATOM 927 O GLU A 64 -0.765 -2.880 -12.676 1.00 0.00 O ATOM 928 CB GLU A 64 0.328 -4.382 -9.953 1.00 0.00 C ATOM 929 CG GLU A 64 1.269 -3.232 -10.271 1.00 0.00 C ATOM 930 CD GLU A 64 2.070 -3.467 -11.537 1.00 0.00 C ATOM 931 OE1 GLU A 64 2.650 -4.564 -11.678 1.00 0.00 O ATOM 932 OE2 GLU A 64 2.116 -2.554 -12.387 1.00 0.00 O ATOM 0 H GLU A 64 0.661 -5.069 -12.576 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.557 -5.176 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.188 -4.170 -9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.914 -5.287 -9.796 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.692 -2.313 -10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.953 -3.085 -9.435 1.00 0.00 H new ATOM 939 N ARG A 65 -2.141 -2.691 -10.905 1.00 0.00 N ATOM 940 CA ARG A 65 -2.704 -1.418 -11.340 1.00 0.00 C ATOM 941 C ARG A 65 -2.368 -0.308 -10.349 1.00 0.00 C ATOM 942 O ARG A 65 -2.450 -0.499 -9.135 1.00 0.00 O ATOM 943 CB ARG A 65 -4.221 -1.535 -11.497 1.00 0.00 C ATOM 944 CG ARG A 65 -4.657 -2.731 -12.328 1.00 0.00 C ATOM 945 CD ARG A 65 -4.657 -2.408 -13.814 1.00 0.00 C ATOM 946 NE ARG A 65 -3.307 -2.188 -14.326 1.00 0.00 N ATOM 947 CZ ARG A 65 -3.050 -1.664 -15.519 1.00 0.00 C ATOM 948 NH1 ARG A 65 -4.045 -1.308 -16.319 1.00 0.00 N ATOM 949 NH2 ARG A 65 -1.794 -1.495 -15.914 1.00 0.00 N ATOM 0 H ARG A 65 -2.521 -3.042 -10.026 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.264 -1.165 -12.305 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.676 -1.605 -10.509 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.601 -0.624 -11.959 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.989 -3.571 -12.137 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.656 -3.043 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.124 -3.226 -14.363 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.262 -1.519 -13.992 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.518 -2.451 -13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.011 -1.436 -16.019 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.844 -0.906 -17.235 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -1.026 -1.768 -15.301 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.597 -1.093 -16.830 1.00 0.00 H new ATOM 963 N VAL A 66 -1.990 0.853 -10.874 1.00 0.00 N ATOM 964 CA VAL A 66 -1.642 1.994 -10.036 1.00 0.00 C ATOM 965 C VAL A 66 -2.812 2.965 -9.917 1.00 0.00 C ATOM 966 O VAL A 66 -3.485 3.265 -10.902 1.00 0.00 O ATOM 967 CB VAL A 66 -0.419 2.747 -10.591 1.00 0.00 C ATOM 968 CG1 VAL A 66 -0.811 3.586 -11.798 1.00 0.00 C ATOM 969 CG2 VAL A 66 0.209 3.614 -9.511 1.00 0.00 C ATOM 0 H VAL A 66 -1.917 1.028 -11.876 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.399 1.599 -9.050 1.00 0.00 H new ATOM 0 HB VAL A 66 0.321 2.014 -10.912 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.066 4.111 -12.177 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.210 2.937 -12.578 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.570 4.312 -11.506 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.072 4.139 -9.921 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.522 4.340 -9.157 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.528 2.985 -8.680 1.00 0.00 H new ATOM 979 N GLU A 67 -3.047 3.454 -8.703 1.00 0.00 N ATOM 980 CA GLU A 67 -4.136 4.391 -8.456 1.00 0.00 C ATOM 981 C GLU A 67 -3.618 5.667 -7.798 1.00 0.00 C ATOM 982 O GLU A 67 -3.234 5.663 -6.629 1.00 0.00 O ATOM 983 CB GLU A 67 -5.204 3.745 -7.570 1.00 0.00 C ATOM 984 CG GLU A 67 -6.600 4.302 -7.794 1.00 0.00 C ATOM 985 CD GLU A 67 -7.080 4.114 -9.220 1.00 0.00 C ATOM 986 OE1 GLU A 67 -7.204 2.951 -9.657 1.00 0.00 O ATOM 987 OE2 GLU A 67 -7.333 5.132 -9.899 1.00 0.00 O ATOM 0 H GLU A 67 -2.498 3.217 -7.877 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.580 4.652 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.217 2.671 -7.755 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.930 3.885 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.296 3.813 -7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.607 5.364 -7.549 1.00 0.00 H new ATOM 994 N ASN A 68 -3.610 6.757 -8.558 1.00 0.00 N ATOM 995 CA ASN A 68 -3.137 8.040 -8.051 1.00 0.00 C ATOM 996 C ASN A 68 -4.172 8.672 -7.124 1.00 0.00 C ATOM 997 O ASN A 68 -5.333 8.844 -7.497 1.00 0.00 O ATOM 998 CB ASN A 68 -2.827 8.988 -9.210 1.00 0.00 C ATOM 999 CG ASN A 68 -2.326 8.254 -10.439 1.00 0.00 C ATOM 1000 OD1 ASN A 68 -2.973 8.260 -11.486 1.00 0.00 O ATOM 1001 ND2 ASN A 68 -1.168 7.617 -10.316 1.00 0.00 N ATOM 0 H ASN A 68 -3.926 6.778 -9.528 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.224 7.864 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.725 9.550 -9.467 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.078 9.713 -8.892 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.781 7.106 -11.109 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.666 7.639 -9.429 1.00 0.00 H new ATOM 1008 N THR A 69 -3.742 9.018 -5.915 1.00 0.00 N ATOM 1009 CA THR A 69 -4.630 9.631 -4.935 1.00 0.00 C ATOM 1010 C THR A 69 -5.417 10.782 -5.550 1.00 0.00 C ATOM 1011 O THR A 69 -4.839 11.711 -6.114 1.00 0.00 O ATOM 1012 CB THR A 69 -3.846 10.154 -3.716 1.00 0.00 C ATOM 1013 OG1 THR A 69 -2.908 11.154 -4.130 1.00 0.00 O ATOM 1014 CG2 THR A 69 -3.110 9.020 -3.018 1.00 0.00 C ATOM 0 H THR A 69 -2.784 8.884 -5.591 1.00 0.00 H new ATOM 0 HA THR A 69 -5.322 8.855 -4.607 1.00 0.00 H new ATOM 0 HB THR A 69 -4.557 10.590 -3.014 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.268 12.043 -3.929 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.564 9.414 -2.161 1.00 0.00 H new ATOM 0 HG22 THR A 69 -3.829 8.274 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 69 -2.409 8.558 -3.714 1.00 0.00 H new ATOM 1022 N SER A 70 -6.740 10.714 -5.438 1.00 0.00 N ATOM 1023 CA SER A 70 -7.607 11.750 -5.987 1.00 0.00 C ATOM 1024 C SER A 70 -6.997 13.134 -5.784 1.00 0.00 C ATOM 1025 O SER A 70 -7.248 14.056 -6.561 1.00 0.00 O ATOM 1026 CB SER A 70 -8.988 11.688 -5.332 1.00 0.00 C ATOM 1027 OG SER A 70 -9.957 12.361 -6.118 1.00 0.00 O ATOM 0 H SER A 70 -7.234 9.953 -4.972 1.00 0.00 H new ATOM 0 HA SER A 70 -7.711 11.572 -7.057 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.284 10.647 -5.197 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.944 12.138 -4.340 1.00 0.00 H new ATOM 0 HG SER A 70 -10.831 12.306 -5.678 1.00 0.00 H new ATOM 1033 N HIS A 71 -6.194 13.271 -4.733 1.00 0.00 N ATOM 1034 CA HIS A 71 -5.547 14.541 -4.427 1.00 0.00 C ATOM 1035 C HIS A 71 -4.136 14.317 -3.891 1.00 0.00 C ATOM 1036 O HIS A 71 -3.869 13.367 -3.155 1.00 0.00 O ATOM 1037 CB HIS A 71 -6.373 15.326 -3.407 1.00 0.00 C ATOM 1038 CG HIS A 71 -7.825 15.423 -3.760 1.00 0.00 C ATOM 1039 ND1 HIS A 71 -8.328 16.377 -4.619 1.00 0.00 N ATOM 1040 CD2 HIS A 71 -8.884 14.677 -3.367 1.00 0.00 C ATOM 1041 CE1 HIS A 71 -9.634 16.215 -4.737 1.00 0.00 C ATOM 1042 NE2 HIS A 71 -9.996 15.190 -3.988 1.00 0.00 N ATOM 0 H HIS A 71 -5.976 12.518 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.479 15.117 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.276 14.851 -2.431 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.962 16.331 -3.315 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.859 13.835 -2.691 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.293 16.819 -5.343 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -10.947 14.836 -3.887 1.00 0.00 H new ATOM 1051 N PRO A 72 -3.210 15.211 -4.269 1.00 0.00 N ATOM 1052 CA PRO A 72 -1.811 15.131 -3.839 1.00 0.00 C ATOM 1053 C PRO A 72 -1.643 15.438 -2.354 1.00 0.00 C ATOM 1054 O PRO A 72 -2.237 16.380 -1.834 1.00 0.00 O ATOM 1055 CB PRO A 72 -1.117 16.200 -4.687 1.00 0.00 C ATOM 1056 CG PRO A 72 -2.193 17.174 -5.024 1.00 0.00 C ATOM 1057 CD PRO A 72 -3.457 16.368 -5.145 1.00 0.00 C ATOM 0 HA PRO A 72 -1.401 14.130 -3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.308 16.679 -4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.678 15.768 -5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -2.288 17.935 -4.249 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.971 17.694 -5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.329 16.937 -4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.640 16.060 -6.175 1.00 0.00 H new ATOM 1065 N GLY A 73 -0.827 14.634 -1.677 1.00 0.00 N ATOM 1066 CA GLY A 73 -0.595 14.837 -0.259 1.00 0.00 C ATOM 1067 C GLY A 73 -1.456 13.936 0.604 1.00 0.00 C ATOM 1068 O GLY A 73 -1.114 13.654 1.752 1.00 0.00 O ATOM 0 H GLY A 73 -0.323 13.847 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.456 14.653 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.797 15.878 -0.006 1.00 0.00 H new ATOM 1072 N GLU A 74 -2.577 13.483 0.050 1.00 0.00 N ATOM 1073 CA GLU A 74 -3.490 12.611 0.779 1.00 0.00 C ATOM 1074 C GLU A 74 -2.734 11.458 1.433 1.00 0.00 C ATOM 1075 O GLU A 74 -1.959 10.760 0.781 1.00 0.00 O ATOM 1076 CB GLU A 74 -4.565 12.062 -0.161 1.00 0.00 C ATOM 1077 CG GLU A 74 -5.889 11.778 0.528 1.00 0.00 C ATOM 1078 CD GLU A 74 -6.480 13.010 1.187 1.00 0.00 C ATOM 1079 OE1 GLU A 74 -7.117 13.814 0.475 1.00 0.00 O ATOM 1080 OE2 GLU A 74 -6.305 13.169 2.413 1.00 0.00 O ATOM 0 H GLU A 74 -2.874 13.705 -0.900 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.968 13.200 1.562 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -4.731 12.777 -0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.200 11.143 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.597 11.386 -0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.744 11.002 1.280 1.00 0.00 H new ATOM 1087 N MET A 75 -2.967 11.265 2.728 1.00 0.00 N ATOM 1088 CA MET A 75 -2.309 10.197 3.471 1.00 0.00 C ATOM 1089 C MET A 75 -3.178 8.945 3.507 1.00 0.00 C ATOM 1090 O MET A 75 -3.064 8.126 4.419 1.00 0.00 O ATOM 1091 CB MET A 75 -1.996 10.656 4.897 1.00 0.00 C ATOM 1092 CG MET A 75 -0.969 11.775 4.963 1.00 0.00 C ATOM 1093 SD MET A 75 0.721 11.159 5.096 1.00 0.00 S ATOM 1094 CE MET A 75 1.167 11.018 3.367 1.00 0.00 C ATOM 0 H MET A 75 -3.606 11.834 3.283 1.00 0.00 H new ATOM 0 HA MET A 75 -1.376 9.956 2.962 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.918 10.991 5.373 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.632 9.805 5.472 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.056 12.396 4.072 1.00 0.00 H new ATOM 0 HG3 MET A 75 -1.187 12.414 5.819 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.252 10.981 3.273 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.735 10.107 2.953 1.00 0.00 H new ATOM 0 HE3 MET A 75 0.785 11.881 2.821 1.00 0.00 H new ATOM 1104 N GLN A 76 -4.046 8.803 2.511 1.00 0.00 N ATOM 1105 CA GLN A 76 -4.935 7.650 2.431 1.00 0.00 C ATOM 1106 C GLN A 76 -5.661 7.614 1.090 1.00 0.00 C ATOM 1107 O GLN A 76 -5.851 8.647 0.447 1.00 0.00 O ATOM 1108 CB GLN A 76 -5.952 7.683 3.573 1.00 0.00 C ATOM 1109 CG GLN A 76 -7.008 8.765 3.416 1.00 0.00 C ATOM 1110 CD GLN A 76 -7.927 8.517 2.236 1.00 0.00 C ATOM 1111 OE1 GLN A 76 -8.147 7.374 1.836 1.00 0.00 O ATOM 1112 NE2 GLN A 76 -8.469 9.590 1.672 1.00 0.00 N ATOM 0 H GLN A 76 -4.153 9.472 1.748 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.328 6.749 2.520 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.445 6.713 3.638 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -5.424 7.836 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.602 8.823 4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -6.518 9.731 3.293 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.259 10.519 2.037 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.096 9.485 0.874 1.00 0.00 H new ATOM 1121 N VAL A 77 -6.064 6.418 0.672 1.00 0.00 N ATOM 1122 CA VAL A 77 -6.769 6.248 -0.592 1.00 0.00 C ATOM 1123 C VAL A 77 -7.563 4.946 -0.608 1.00 0.00 C ATOM 1124 O VAL A 77 -7.210 3.982 0.073 1.00 0.00 O ATOM 1125 CB VAL A 77 -5.794 6.256 -1.785 1.00 0.00 C ATOM 1126 CG1 VAL A 77 -4.948 4.993 -1.791 1.00 0.00 C ATOM 1127 CG2 VAL A 77 -6.555 6.405 -3.094 1.00 0.00 C ATOM 0 H VAL A 77 -5.914 5.553 1.191 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.455 7.090 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.126 7.111 -1.681 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.265 5.016 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.374 4.935 -0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.597 4.121 -1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.851 6.409 -3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.248 5.572 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.112 7.342 -3.086 1.00 0.00 H new ATOM 1137 N THR A 78 -8.637 4.923 -1.391 1.00 0.00 N ATOM 1138 CA THR A 78 -9.481 3.740 -1.495 1.00 0.00 C ATOM 1139 C THR A 78 -9.337 3.080 -2.862 1.00 0.00 C ATOM 1140 O THR A 78 -9.397 3.749 -3.894 1.00 0.00 O ATOM 1141 CB THR A 78 -10.964 4.085 -1.259 1.00 0.00 C ATOM 1142 OG1 THR A 78 -11.108 4.816 -0.036 1.00 0.00 O ATOM 1143 CG2 THR A 78 -11.812 2.823 -1.205 1.00 0.00 C ATOM 0 H THR A 78 -8.943 5.711 -1.962 1.00 0.00 H new ATOM 0 HA THR A 78 -9.149 3.047 -0.722 1.00 0.00 H new ATOM 0 HB THR A 78 -11.308 4.699 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.053 5.033 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.855 3.092 -1.038 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.723 2.284 -2.148 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.466 2.187 -0.390 1.00 0.00 H new ATOM 1151 N ILE A 79 -9.146 1.765 -2.862 1.00 0.00 N ATOM 1152 CA ILE A 79 -8.995 1.015 -4.102 1.00 0.00 C ATOM 1153 C ILE A 79 -10.231 0.169 -4.387 1.00 0.00 C ATOM 1154 O ILE A 79 -10.349 -0.956 -3.903 1.00 0.00 O ATOM 1155 CB ILE A 79 -7.758 0.099 -4.059 1.00 0.00 C ATOM 1156 CG1 ILE A 79 -6.544 0.868 -3.531 1.00 0.00 C ATOM 1157 CG2 ILE A 79 -7.471 -0.470 -5.440 1.00 0.00 C ATOM 1158 CD1 ILE A 79 -6.057 1.947 -4.473 1.00 0.00 C ATOM 0 H ILE A 79 -9.092 1.197 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.867 1.747 -4.900 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.962 -0.730 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.799 1.321 -2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.732 0.165 -3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.594 -1.115 -5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.329 -1.049 -5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.284 0.346 -6.138 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.195 2.451 -4.035 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.770 1.498 -5.424 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.854 2.671 -4.640 1.00 0.00 H new ATOM 1170 N GLN A 80 -11.147 0.718 -5.178 1.00 0.00 N ATOM 1171 CA GLN A 80 -12.374 0.012 -5.529 1.00 0.00 C ATOM 1172 C GLN A 80 -12.131 -0.966 -6.674 1.00 0.00 C ATOM 1173 O GLN A 80 -10.993 -1.178 -7.090 1.00 0.00 O ATOM 1174 CB GLN A 80 -13.468 1.009 -5.917 1.00 0.00 C ATOM 1175 CG GLN A 80 -13.582 2.188 -4.964 1.00 0.00 C ATOM 1176 CD GLN A 80 -12.754 3.378 -5.407 1.00 0.00 C ATOM 1177 OE1 GLN A 80 -12.320 3.454 -6.557 1.00 0.00 O ATOM 1178 NE2 GLN A 80 -12.531 4.317 -4.494 1.00 0.00 N ATOM 0 H GLN A 80 -11.063 1.648 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 80 -12.701 -0.553 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.268 1.382 -6.921 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -14.425 0.489 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -14.627 2.487 -4.885 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -13.263 1.878 -3.969 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -12.910 4.213 -3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.981 5.142 -4.734 1.00 0.00 H new ATOM 1187 N ASN A 81 -13.209 -1.558 -7.178 1.00 0.00 N ATOM 1188 CA ASN A 81 -13.113 -2.515 -8.275 1.00 0.00 C ATOM 1189 C ASN A 81 -12.249 -3.709 -7.881 1.00 0.00 C ATOM 1190 O ASN A 81 -11.391 -4.148 -8.648 1.00 0.00 O ATOM 1191 CB ASN A 81 -12.532 -1.839 -9.519 1.00 0.00 C ATOM 1192 CG ASN A 81 -13.161 -0.486 -9.788 1.00 0.00 C ATOM 1193 OD1 ASN A 81 -12.497 0.548 -9.703 1.00 0.00 O ATOM 1194 ND2 ASN A 81 -14.447 -0.486 -10.117 1.00 0.00 N ATOM 0 H ASN A 81 -14.159 -1.392 -6.845 1.00 0.00 H new ATOM 0 HA ASN A 81 -14.117 -2.874 -8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.456 -1.718 -9.394 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -12.682 -2.485 -10.384 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.924 0.395 -10.311 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.958 -1.367 -10.176 1.00 0.00 H new ATOM 1201 N LEU A 82 -12.481 -4.230 -6.681 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.725 -5.374 -6.184 1.00 0.00 C ATOM 1203 C LEU A 82 -12.633 -6.584 -5.991 1.00 0.00 C ATOM 1204 O LEU A 82 -13.858 -6.465 -6.021 1.00 0.00 O ATOM 1205 CB LEU A 82 -11.038 -5.022 -4.864 1.00 0.00 C ATOM 1206 CG LEU A 82 -10.033 -3.871 -4.916 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -9.332 -3.713 -3.576 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -9.017 -4.100 -6.027 1.00 0.00 C ATOM 0 H LEU A 82 -13.187 -3.878 -6.034 1.00 0.00 H new ATOM 0 HA LEU A 82 -10.966 -5.626 -6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.807 -4.774 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.524 -5.910 -4.497 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.575 -2.950 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.621 -2.889 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.070 -3.503 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.802 -4.634 -3.332 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.309 -3.271 -6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.480 -5.031 -5.843 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -9.533 -4.162 -6.985 1.00 0.00 H new ATOM 1220 N MET A 83 -12.024 -7.749 -5.792 1.00 0.00 N ATOM 1221 CA MET A 83 -12.778 -8.980 -5.591 1.00 0.00 C ATOM 1222 C MET A 83 -12.714 -9.425 -4.133 1.00 0.00 C ATOM 1223 O MET A 83 -11.663 -9.386 -3.493 1.00 0.00 O ATOM 1224 CB MET A 83 -12.239 -10.088 -6.498 1.00 0.00 C ATOM 1225 CG MET A 83 -12.979 -11.408 -6.351 1.00 0.00 C ATOM 1226 SD MET A 83 -14.371 -11.554 -7.488 1.00 0.00 S ATOM 1227 CE MET A 83 -13.522 -11.959 -9.012 1.00 0.00 C ATOM 0 H MET A 83 -11.011 -7.866 -5.766 1.00 0.00 H new ATOM 0 HA MET A 83 -13.819 -8.784 -5.848 1.00 0.00 H new ATOM 0 HB2 MET A 83 -12.301 -9.759 -7.535 1.00 0.00 H new ATOM 0 HB3 MET A 83 -11.183 -10.246 -6.277 1.00 0.00 H new ATOM 0 HG2 MET A 83 -12.285 -12.230 -6.525 1.00 0.00 H new ATOM 0 HG3 MET A 83 -13.339 -11.506 -5.327 1.00 0.00 H new ATOM 0 HE1 MET A 83 -14.033 -11.486 -9.850 1.00 0.00 H new ATOM 0 HE2 MET A 83 -12.495 -11.598 -8.963 1.00 0.00 H new ATOM 0 HE3 MET A 83 -13.521 -13.040 -9.151 1.00 0.00 H new ATOM 1237 N PRO A 84 -13.864 -9.858 -3.594 1.00 0.00 N ATOM 1238 CA PRO A 84 -13.964 -10.318 -2.206 1.00 0.00 C ATOM 1239 C PRO A 84 -13.245 -11.644 -1.982 1.00 0.00 C ATOM 1240 O PRO A 84 -13.079 -12.435 -2.910 1.00 0.00 O ATOM 1241 CB PRO A 84 -15.471 -10.483 -1.994 1.00 0.00 C ATOM 1242 CG PRO A 84 -16.020 -10.723 -3.358 1.00 0.00 C ATOM 1243 CD PRO A 84 -15.155 -9.932 -4.299 1.00 0.00 C ATOM 0 HA PRO A 84 -13.497 -9.621 -1.511 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -15.688 -11.317 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.907 -9.592 -1.542 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.997 -11.784 -3.606 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -17.060 -10.403 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -15.057 -10.425 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.568 -8.941 -4.487 1.00 0.00 H new ATOM 1251 N ALA A 85 -12.823 -11.881 -0.744 1.00 0.00 N ATOM 1252 CA ALA A 85 -12.125 -13.113 -0.398 1.00 0.00 C ATOM 1253 C ALA A 85 -10.942 -13.355 -1.331 1.00 0.00 C ATOM 1254 O ALA A 85 -10.640 -14.494 -1.686 1.00 0.00 O ATOM 1255 CB ALA A 85 -13.084 -14.294 -0.443 1.00 0.00 C ATOM 0 H ALA A 85 -12.952 -11.236 0.036 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.740 -13.010 0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -12.549 -15.207 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -13.894 -14.132 0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.497 -14.389 -1.447 1.00 0.00 H new ATOM 1261 N THR A 86 -10.276 -12.274 -1.725 1.00 0.00 N ATOM 1262 CA THR A 86 -9.127 -12.368 -2.618 1.00 0.00 C ATOM 1263 C THR A 86 -7.973 -11.505 -2.122 1.00 0.00 C ATOM 1264 O THR A 86 -8.095 -10.283 -2.026 1.00 0.00 O ATOM 1265 CB THR A 86 -9.494 -11.941 -4.052 1.00 0.00 C ATOM 1266 OG1 THR A 86 -10.582 -12.736 -4.537 1.00 0.00 O ATOM 1267 CG2 THR A 86 -8.299 -12.087 -4.982 1.00 0.00 C ATOM 0 H THR A 86 -10.512 -11.324 -1.440 1.00 0.00 H new ATOM 0 HA THR A 86 -8.817 -13.413 -2.626 1.00 0.00 H new ATOM 0 HB THR A 86 -9.792 -10.893 -4.030 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.376 -12.574 -3.986 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.582 -11.780 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.483 -11.458 -4.627 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.975 -13.128 -4.998 1.00 0.00 H new ATOM 1275 N VAL A 87 -6.852 -12.147 -1.808 1.00 0.00 N ATOM 1276 CA VAL A 87 -5.675 -11.436 -1.324 1.00 0.00 C ATOM 1277 C VAL A 87 -5.162 -10.447 -2.364 1.00 0.00 C ATOM 1278 O VAL A 87 -5.236 -10.701 -3.567 1.00 0.00 O ATOM 1279 CB VAL A 87 -4.541 -12.413 -0.958 1.00 0.00 C ATOM 1280 CG1 VAL A 87 -3.219 -11.672 -0.826 1.00 0.00 C ATOM 1281 CG2 VAL A 87 -4.874 -13.159 0.325 1.00 0.00 C ATOM 0 H VAL A 87 -6.734 -13.158 -1.880 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.980 -10.892 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 87 -4.442 -13.144 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.430 -12.378 -0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.977 -11.188 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.301 -10.917 -0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.062 -13.845 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -5.002 -12.445 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.797 -13.723 0.189 1.00 0.00 H new ATOM 1291 N TYR A 88 -4.642 -9.319 -1.894 1.00 0.00 N ATOM 1292 CA TYR A 88 -4.119 -8.290 -2.784 1.00 0.00 C ATOM 1293 C TYR A 88 -2.909 -7.597 -2.165 1.00 0.00 C ATOM 1294 O TYR A 88 -2.961 -7.137 -1.024 1.00 0.00 O ATOM 1295 CB TYR A 88 -5.204 -7.259 -3.100 1.00 0.00 C ATOM 1296 CG TYR A 88 -6.239 -7.752 -4.086 1.00 0.00 C ATOM 1297 CD1 TYR A 88 -5.910 -7.971 -5.418 1.00 0.00 C ATOM 1298 CD2 TYR A 88 -7.546 -8.000 -3.685 1.00 0.00 C ATOM 1299 CE1 TYR A 88 -6.853 -8.421 -6.322 1.00 0.00 C ATOM 1300 CE2 TYR A 88 -8.495 -8.452 -4.582 1.00 0.00 C ATOM 1301 CZ TYR A 88 -8.144 -8.660 -5.899 1.00 0.00 C ATOM 1302 OH TYR A 88 -9.085 -9.109 -6.797 1.00 0.00 O ATOM 0 H TYR A 88 -4.571 -9.094 -0.902 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.805 -8.773 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.703 -6.974 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.734 -6.360 -3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.900 -7.786 -5.752 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.825 -7.837 -2.655 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.581 -8.585 -7.354 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.506 -8.641 -4.253 1.00 0.00 H new ATOM 0 HH TYR A 88 -8.645 -9.641 -7.493 1.00 0.00 H new ATOM 1312 N ILE A 89 -1.822 -7.527 -2.925 1.00 0.00 N ATOM 1313 CA ILE A 89 -0.599 -6.890 -2.452 1.00 0.00 C ATOM 1314 C ILE A 89 -0.556 -5.419 -2.853 1.00 0.00 C ATOM 1315 O ILE A 89 -0.265 -5.086 -4.002 1.00 0.00 O ATOM 1316 CB ILE A 89 0.654 -7.597 -3.002 1.00 0.00 C ATOM 1317 CG1 ILE A 89 0.440 -9.112 -3.029 1.00 0.00 C ATOM 1318 CG2 ILE A 89 1.873 -7.243 -2.164 1.00 0.00 C ATOM 1319 CD1 ILE A 89 -0.152 -9.661 -1.750 1.00 0.00 C ATOM 0 H ILE A 89 -1.763 -7.903 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.602 -6.969 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 89 0.828 -7.255 -4.022 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.217 -9.363 -3.861 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.395 -9.602 -3.218 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.750 -7.750 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.033 -6.165 -2.192 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.711 -7.559 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.276 -10.740 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.515 -9.441 -0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.122 -9.198 -1.570 1.00 0.00 H new ATOM 1331 N PHE A 90 -0.845 -4.542 -1.897 1.00 0.00 N ATOM 1332 CA PHE A 90 -0.838 -3.106 -2.149 1.00 0.00 C ATOM 1333 C PHE A 90 0.551 -2.519 -1.916 1.00 0.00 C ATOM 1334 O PHE A 90 1.260 -2.922 -0.993 1.00 0.00 O ATOM 1335 CB PHE A 90 -1.858 -2.404 -1.250 1.00 0.00 C ATOM 1336 CG PHE A 90 -3.278 -2.813 -1.520 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -3.793 -3.978 -0.975 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -4.097 -2.033 -2.320 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -5.099 -4.358 -1.221 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -5.404 -2.407 -2.570 1.00 0.00 C ATOM 1341 CZ PHE A 90 -5.905 -3.571 -2.021 1.00 0.00 C ATOM 0 H PHE A 90 -1.087 -4.801 -0.941 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.111 -2.944 -3.192 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.619 -2.617 -0.208 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.767 -1.326 -1.384 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.166 -4.597 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.710 -1.123 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.488 -5.268 -0.789 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.033 -1.789 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.925 -3.866 -2.217 1.00 0.00 H new ATOM 1351 N ARG A 91 0.933 -1.566 -2.759 1.00 0.00 N ATOM 1352 CA ARG A 91 2.238 -0.925 -2.647 1.00 0.00 C ATOM 1353 C ARG A 91 2.115 0.588 -2.803 1.00 0.00 C ATOM 1354 O ARG A 91 1.681 1.082 -3.844 1.00 0.00 O ATOM 1355 CB ARG A 91 3.195 -1.481 -3.702 1.00 0.00 C ATOM 1356 CG ARG A 91 3.284 -2.999 -3.704 1.00 0.00 C ATOM 1357 CD ARG A 91 4.469 -3.486 -4.524 1.00 0.00 C ATOM 1358 NE ARG A 91 4.550 -4.944 -4.555 1.00 0.00 N ATOM 1359 CZ ARG A 91 3.846 -5.702 -5.388 1.00 0.00 C ATOM 1360 NH1 ARG A 91 3.013 -5.143 -6.255 1.00 0.00 N ATOM 1361 NH2 ARG A 91 3.975 -7.022 -5.356 1.00 0.00 N ATOM 0 H ARG A 91 0.358 -1.220 -3.527 1.00 0.00 H new ATOM 0 HA ARG A 91 2.637 -1.140 -1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.873 -1.143 -4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.189 -1.067 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.376 -3.361 -2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.363 -3.418 -4.109 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.386 -3.106 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.390 -3.080 -4.106 1.00 0.00 H new ATOM 0 HE ARG A 91 5.182 -5.406 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.912 -4.128 -6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.474 -5.728 -6.894 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.615 -7.456 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.434 -7.603 -5.996 1.00 0.00 H new ATOM 1375 N VAL A 92 2.500 1.319 -1.762 1.00 0.00 N ATOM 1376 CA VAL A 92 2.434 2.775 -1.783 1.00 0.00 C ATOM 1377 C VAL A 92 3.779 3.381 -2.169 1.00 0.00 C ATOM 1378 O VAL A 92 4.829 2.921 -1.722 1.00 0.00 O ATOM 1379 CB VAL A 92 2.003 3.338 -0.415 1.00 0.00 C ATOM 1380 CG1 VAL A 92 1.455 4.748 -0.567 1.00 0.00 C ATOM 1381 CG2 VAL A 92 0.976 2.424 0.236 1.00 0.00 C ATOM 0 H VAL A 92 2.861 0.926 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 92 1.688 3.047 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 92 2.878 3.383 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.156 5.129 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.225 5.394 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.591 4.733 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.682 2.836 1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.099 2.345 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.410 1.434 0.381 1.00 0.00 H new ATOM 1391 N MET A 93 3.738 4.416 -3.001 1.00 0.00 N ATOM 1392 CA MET A 93 4.955 5.086 -3.446 1.00 0.00 C ATOM 1393 C MET A 93 4.735 6.591 -3.561 1.00 0.00 C ATOM 1394 O MET A 93 3.639 7.045 -3.887 1.00 0.00 O ATOM 1395 CB MET A 93 5.411 4.521 -4.793 1.00 0.00 C ATOM 1396 CG MET A 93 6.720 5.113 -5.288 1.00 0.00 C ATOM 1397 SD MET A 93 7.566 4.040 -6.464 1.00 0.00 S ATOM 1398 CE MET A 93 6.232 3.661 -7.597 1.00 0.00 C ATOM 0 H MET A 93 2.877 4.809 -3.381 1.00 0.00 H new ATOM 0 HA MET A 93 5.732 4.905 -2.703 1.00 0.00 H new ATOM 0 HB2 MET A 93 5.520 3.440 -4.706 1.00 0.00 H new ATOM 0 HB3 MET A 93 4.635 4.704 -5.536 1.00 0.00 H new ATOM 0 HG2 MET A 93 6.524 6.077 -5.757 1.00 0.00 H new ATOM 0 HG3 MET A 93 7.375 5.300 -4.437 1.00 0.00 H new ATOM 0 HE1 MET A 93 6.602 3.700 -8.621 1.00 0.00 H new ATOM 0 HE2 MET A 93 5.850 2.662 -7.388 1.00 0.00 H new ATOM 0 HE3 MET A 93 5.431 4.390 -7.473 1.00 0.00 H new ATOM 1408 N ALA A 94 5.785 7.360 -3.290 1.00 0.00 N ATOM 1409 CA ALA A 94 5.706 8.814 -3.365 1.00 0.00 C ATOM 1410 C ALA A 94 6.150 9.318 -4.734 1.00 0.00 C ATOM 1411 O ALA A 94 6.984 8.697 -5.392 1.00 0.00 O ATOM 1412 CB ALA A 94 6.551 9.445 -2.268 1.00 0.00 C ATOM 0 H ALA A 94 6.700 7.001 -3.017 1.00 0.00 H new ATOM 0 HA ALA A 94 4.666 9.105 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.483 10.531 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.186 9.118 -1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.590 9.138 -2.387 1.00 0.00 H new ATOM 1418 N GLN A 95 5.587 10.446 -5.155 1.00 0.00 N ATOM 1419 CA GLN A 95 5.925 11.031 -6.447 1.00 0.00 C ATOM 1420 C GLN A 95 5.968 12.553 -6.360 1.00 0.00 C ATOM 1421 O GLN A 95 5.013 13.186 -5.914 1.00 0.00 O ATOM 1422 CB GLN A 95 4.912 10.598 -7.508 1.00 0.00 C ATOM 1423 CG GLN A 95 5.312 9.332 -8.249 1.00 0.00 C ATOM 1424 CD GLN A 95 4.115 8.514 -8.694 1.00 0.00 C ATOM 1425 OE1 GLN A 95 3.048 9.058 -8.977 1.00 0.00 O ATOM 1426 NE2 GLN A 95 4.288 7.199 -8.759 1.00 0.00 N ATOM 0 H GLN A 95 4.896 10.972 -4.621 1.00 0.00 H new ATOM 0 HA GLN A 95 6.914 10.673 -6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 95 3.944 10.440 -7.032 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.785 11.406 -8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 95 5.909 9.599 -9.121 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.945 8.722 -7.604 1.00 0.00 H new ATOM 0 HE21 GLN A 95 5.190 6.791 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.519 6.597 -9.053 1.00 0.00 H new ATOM 1435 N ASN A 96 7.084 13.134 -6.790 1.00 0.00 N ATOM 1436 CA ASN A 96 7.251 14.583 -6.760 1.00 0.00 C ATOM 1437 C ASN A 96 7.530 15.127 -8.157 1.00 0.00 C ATOM 1438 O ASN A 96 7.495 14.389 -9.142 1.00 0.00 O ATOM 1439 CB ASN A 96 8.392 14.965 -5.814 1.00 0.00 C ATOM 1440 CG ASN A 96 9.750 14.555 -6.351 1.00 0.00 C ATOM 1441 OD1 ASN A 96 9.996 13.251 -6.403 1.00 0.00 O flip ATOM 1442 ND2 ASN A 96 10.567 15.401 -6.714 1.00 0.00 N flip ATOM 0 H ASN A 96 7.885 12.624 -7.163 1.00 0.00 H new ATOM 0 HA ASN A 96 6.323 15.024 -6.397 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.379 16.043 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 96 8.230 14.493 -4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.334 16.392 -6.656 1.00 0.00 H new ATOM 0 HD22 ASN A 96 11.477 15.111 -7.073 1.00 0.00 H new ATOM 1449 N LYS A 97 7.808 16.424 -8.237 1.00 0.00 N ATOM 1450 CA LYS A 97 8.095 17.069 -9.512 1.00 0.00 C ATOM 1451 C LYS A 97 9.043 16.218 -10.351 1.00 0.00 C ATOM 1452 O LYS A 97 9.097 16.353 -11.574 1.00 0.00 O ATOM 1453 CB LYS A 97 8.705 18.454 -9.281 1.00 0.00 C ATOM 1454 CG LYS A 97 10.130 18.411 -8.758 1.00 0.00 C ATOM 1455 CD LYS A 97 10.791 19.777 -8.828 1.00 0.00 C ATOM 1456 CE LYS A 97 11.525 19.975 -10.145 1.00 0.00 C ATOM 1457 NZ LYS A 97 12.932 19.493 -10.074 1.00 0.00 N ATOM 0 H LYS A 97 7.841 17.050 -7.432 1.00 0.00 H new ATOM 0 HA LYS A 97 7.156 17.178 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.687 19.010 -10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.083 19.002 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 97 10.129 18.058 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.710 17.695 -9.339 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.036 20.554 -8.711 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.491 19.886 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.999 19.443 -10.938 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.516 21.032 -10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.279 19.293 -11.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.528 20.224 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 12.973 18.625 -9.503 1.00 0.00 H new ATOM 1471 N HIS A 98 9.788 15.340 -9.687 1.00 0.00 N ATOM 1472 CA HIS A 98 10.732 14.465 -10.372 1.00 0.00 C ATOM 1473 C HIS A 98 10.006 13.310 -11.054 1.00 0.00 C ATOM 1474 O HIS A 98 9.919 13.255 -12.280 1.00 0.00 O ATOM 1475 CB HIS A 98 11.766 13.922 -9.385 1.00 0.00 C ATOM 1476 CG HIS A 98 12.648 14.981 -8.798 1.00 0.00 C ATOM 1477 ND1 HIS A 98 13.108 15.150 -7.537 1.00 0.00 N flip ATOM 1478 CD2 HIS A 98 13.159 16.028 -9.535 1.00 0.00 C flip ATOM 1479 CE1 HIS A 98 13.882 16.285 -7.535 1.00 0.00 C flip ATOM 1480 NE2 HIS A 98 13.897 16.796 -8.753 1.00 0.00 N flip ATOM 0 H HIS A 98 9.756 15.216 -8.675 1.00 0.00 H new ATOM 0 HA HIS A 98 11.243 15.051 -11.136 1.00 0.00 H new ATOM 0 HB2 HIS A 98 11.248 13.403 -8.578 1.00 0.00 H new ATOM 0 HB3 HIS A 98 12.387 13.183 -9.892 1.00 0.00 H new ATOM 0 HD2 HIS A 98 12.983 16.195 -10.588 1.00 0.00 H new ATOM 0 HE1 HIS A 98 14.395 16.693 -6.677 1.00 0.00 H new ATOM 0 HE2 HIS A 98 14.393 17.639 -9.041 1.00 0.00 H new ATOM 1489 N GLY A 99 9.486 12.387 -10.250 1.00 0.00 N ATOM 1490 CA GLY A 99 8.775 11.245 -10.794 1.00 0.00 C ATOM 1491 C GLY A 99 8.440 10.213 -9.736 1.00 0.00 C ATOM 1492 O GLY A 99 7.831 10.535 -8.715 1.00 0.00 O ATOM 0 H GLY A 99 9.545 12.410 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.855 11.586 -11.269 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.381 10.780 -11.571 1.00 0.00 H new ATOM 1496 N SER A 100 8.837 8.968 -9.979 1.00 0.00 N ATOM 1497 CA SER A 100 8.570 7.883 -9.041 1.00 0.00 C ATOM 1498 C SER A 100 9.836 7.497 -8.282 1.00 0.00 C ATOM 1499 O SER A 100 10.809 7.031 -8.873 1.00 0.00 O ATOM 1500 CB SER A 100 8.013 6.666 -9.781 1.00 0.00 C ATOM 1501 OG SER A 100 7.060 7.053 -10.756 1.00 0.00 O ATOM 0 H SER A 100 9.345 8.685 -10.817 1.00 0.00 H new ATOM 0 HA SER A 100 7.829 8.232 -8.322 1.00 0.00 H new ATOM 0 HB2 SER A 100 8.828 6.124 -10.260 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.551 5.983 -9.068 1.00 0.00 H new ATOM 0 HG SER A 100 6.721 6.257 -11.216 1.00 0.00 H new ATOM 1507 N GLY A 101 9.815 7.695 -6.968 1.00 0.00 N ATOM 1508 CA GLY A 101 10.965 7.362 -6.149 1.00 0.00 C ATOM 1509 C GLY A 101 11.005 5.894 -5.773 1.00 0.00 C ATOM 1510 O GLY A 101 10.971 5.024 -6.642 1.00 0.00 O ATOM 0 H GLY A 101 9.022 8.080 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 101 11.877 7.621 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.948 7.966 -5.242 1.00 0.00 H new ATOM 1514 N GLU A 102 11.079 5.619 -4.474 1.00 0.00 N ATOM 1515 CA GLU A 102 11.126 4.246 -3.986 1.00 0.00 C ATOM 1516 C GLU A 102 9.729 3.749 -3.625 1.00 0.00 C ATOM 1517 O GLU A 102 8.917 4.492 -3.075 1.00 0.00 O ATOM 1518 CB GLU A 102 12.046 4.145 -2.768 1.00 0.00 C ATOM 1519 CG GLU A 102 12.280 2.719 -2.298 1.00 0.00 C ATOM 1520 CD GLU A 102 13.542 2.578 -1.469 1.00 0.00 C ATOM 1521 OE1 GLU A 102 13.465 2.754 -0.235 1.00 0.00 O ATOM 1522 OE2 GLU A 102 14.607 2.290 -2.055 1.00 0.00 O ATOM 0 H GLU A 102 11.108 6.328 -3.742 1.00 0.00 H new ATOM 0 HA GLU A 102 11.522 3.617 -4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 102 13.006 4.601 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 102 11.616 4.722 -1.950 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.424 2.389 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.343 2.061 -3.164 1.00 0.00 H new ATOM 1529 N SER A 103 9.457 2.486 -3.940 1.00 0.00 N ATOM 1530 CA SER A 103 8.158 1.890 -3.653 1.00 0.00 C ATOM 1531 C SER A 103 8.145 1.257 -2.264 1.00 0.00 C ATOM 1532 O SER A 103 8.998 0.431 -1.939 1.00 0.00 O ATOM 1533 CB SER A 103 7.812 0.838 -4.708 1.00 0.00 C ATOM 1534 OG SER A 103 8.150 1.289 -6.008 1.00 0.00 O ATOM 0 H SER A 103 10.119 1.857 -4.394 1.00 0.00 H new ATOM 0 HA SER A 103 7.409 2.681 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.345 -0.088 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.747 0.611 -4.664 1.00 0.00 H new ATOM 0 HG SER A 103 8.276 2.261 -5.995 1.00 0.00 H new ATOM 1540 N SER A 104 7.171 1.652 -1.450 1.00 0.00 N ATOM 1541 CA SER A 104 7.048 1.127 -0.095 1.00 0.00 C ATOM 1542 C SER A 104 6.973 -0.397 -0.108 1.00 0.00 C ATOM 1543 O SER A 104 6.892 -1.016 -1.168 1.00 0.00 O ATOM 1544 CB SER A 104 5.807 1.705 0.587 1.00 0.00 C ATOM 1545 OG SER A 104 4.623 1.124 0.069 1.00 0.00 O ATOM 0 H SER A 104 6.456 2.333 -1.705 1.00 0.00 H new ATOM 0 HA SER A 104 7.934 1.425 0.466 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.863 1.528 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.779 2.785 0.443 1.00 0.00 H new ATOM 0 HG SER A 104 4.537 1.349 -0.881 1.00 0.00 H new ATOM 1551 N ALA A 105 6.999 -0.994 1.080 1.00 0.00 N ATOM 1552 CA ALA A 105 6.932 -2.444 1.207 1.00 0.00 C ATOM 1553 C ALA A 105 5.565 -2.970 0.783 1.00 0.00 C ATOM 1554 O ALA A 105 4.541 -2.306 0.944 1.00 0.00 O ATOM 1555 CB ALA A 105 7.240 -2.863 2.637 1.00 0.00 C ATOM 0 H ALA A 105 7.066 -0.495 1.967 1.00 0.00 H new ATOM 0 HA ALA A 105 7.681 -2.877 0.543 1.00 0.00 H new ATOM 0 HB1 ALA A 105 7.186 -3.949 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 105 8.242 -2.528 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.513 -2.413 3.313 1.00 0.00 H new ATOM 1561 N PRO A 106 5.546 -4.190 0.226 1.00 0.00 N ATOM 1562 CA PRO A 106 4.311 -4.831 -0.234 1.00 0.00 C ATOM 1563 C PRO A 106 3.404 -5.238 0.923 1.00 0.00 C ATOM 1564 O PRO A 106 3.770 -6.078 1.746 1.00 0.00 O ATOM 1565 CB PRO A 106 4.811 -6.069 -0.982 1.00 0.00 C ATOM 1566 CG PRO A 106 6.139 -6.367 -0.376 1.00 0.00 C ATOM 1567 CD PRO A 106 6.729 -5.037 0.002 1.00 0.00 C ATOM 0 HA PRO A 106 3.708 -4.161 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 106 4.125 -6.907 -0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 106 4.898 -5.877 -2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 106 6.034 -7.010 0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.781 -6.892 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO A 106 7.346 -5.111 0.898 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.364 -4.639 -0.790 1.00 0.00 H new ATOM 1575 N LEU A 107 2.220 -4.638 0.980 1.00 0.00 N ATOM 1576 CA LEU A 107 1.260 -4.938 2.036 1.00 0.00 C ATOM 1577 C LEU A 107 0.251 -5.984 1.574 1.00 0.00 C ATOM 1578 O LEU A 107 -0.371 -5.838 0.522 1.00 0.00 O ATOM 1579 CB LEU A 107 0.531 -3.664 2.467 1.00 0.00 C ATOM 1580 CG LEU A 107 -0.574 -3.843 3.508 1.00 0.00 C ATOM 1581 CD1 LEU A 107 0.007 -4.332 4.826 1.00 0.00 C ATOM 1582 CD2 LEU A 107 -1.334 -2.540 3.709 1.00 0.00 C ATOM 0 H LEU A 107 1.902 -3.941 0.307 1.00 0.00 H new ATOM 0 HA LEU A 107 1.808 -5.341 2.888 1.00 0.00 H new ATOM 0 HB2 LEU A 107 1.267 -2.965 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 107 0.097 -3.201 1.581 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.273 -4.595 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -0.795 -4.453 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.505 -5.289 4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 107 0.728 -3.604 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.117 -2.686 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -0.646 -1.767 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.784 -2.232 2.765 1.00 0.00 H new ATOM 1594 N ARG A 108 0.093 -7.038 2.367 1.00 0.00 N ATOM 1595 CA ARG A 108 -0.841 -8.108 2.040 1.00 0.00 C ATOM 1596 C ARG A 108 -2.194 -7.872 2.706 1.00 0.00 C ATOM 1597 O ARG A 108 -2.314 -7.933 3.929 1.00 0.00 O ATOM 1598 CB ARG A 108 -0.275 -9.460 2.476 1.00 0.00 C ATOM 1599 CG ARG A 108 -1.037 -10.650 1.915 1.00 0.00 C ATOM 1600 CD ARG A 108 -2.171 -11.071 2.838 1.00 0.00 C ATOM 1601 NE ARG A 108 -1.677 -11.696 4.062 1.00 0.00 N ATOM 1602 CZ ARG A 108 -2.446 -11.969 5.110 1.00 0.00 C ATOM 1603 NH1 ARG A 108 -3.739 -11.673 5.082 1.00 0.00 N ATOM 1604 NH2 ARG A 108 -1.923 -12.539 6.188 1.00 0.00 N ATOM 0 H ARG A 108 0.600 -7.174 3.241 1.00 0.00 H new ATOM 0 HA ARG A 108 -0.983 -8.113 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 108 0.767 -9.526 2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -0.284 -9.514 3.565 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -1.440 -10.396 0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -0.353 -11.487 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.773 -10.199 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -2.825 -11.768 2.314 1.00 0.00 H new ATOM 0 HE ARG A 108 -0.687 -11.936 4.115 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -4.144 -11.235 4.255 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -4.328 -11.883 5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -0.929 -12.768 6.213 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -2.515 -12.748 6.992 1.00 0.00 H new ATOM 1618 N VAL A 109 -3.209 -7.601 1.892 1.00 0.00 N ATOM 1619 CA VAL A 109 -4.553 -7.356 2.402 1.00 0.00 C ATOM 1620 C VAL A 109 -5.568 -8.283 1.743 1.00 0.00 C ATOM 1621 O VAL A 109 -5.725 -8.280 0.522 1.00 0.00 O ATOM 1622 CB VAL A 109 -4.983 -5.895 2.171 1.00 0.00 C ATOM 1623 CG1 VAL A 109 -6.372 -5.651 2.742 1.00 0.00 C ATOM 1624 CG2 VAL A 109 -3.971 -4.939 2.784 1.00 0.00 C ATOM 0 H VAL A 109 -3.126 -7.546 0.877 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.526 -7.554 3.474 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.019 -5.710 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.659 -4.614 2.570 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.088 -6.312 2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -6.366 -5.852 3.813 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.290 -3.911 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.901 -5.122 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -2.996 -5.098 2.324 1.00 0.00 H new ATOM 1634 N GLU A 110 -6.256 -9.075 2.560 1.00 0.00 N ATOM 1635 CA GLU A 110 -7.257 -10.008 2.055 1.00 0.00 C ATOM 1636 C GLU A 110 -8.667 -9.491 2.323 1.00 0.00 C ATOM 1637 O GLU A 110 -9.027 -9.198 3.464 1.00 0.00 O ATOM 1638 CB GLU A 110 -7.075 -11.384 2.700 1.00 0.00 C ATOM 1639 CG GLU A 110 -8.114 -12.403 2.264 1.00 0.00 C ATOM 1640 CD GLU A 110 -8.147 -13.623 3.162 1.00 0.00 C ATOM 1641 OE1 GLU A 110 -8.252 -13.451 4.395 1.00 0.00 O ATOM 1642 OE2 GLU A 110 -8.068 -14.752 2.632 1.00 0.00 O ATOM 0 H GLU A 110 -6.139 -9.089 3.573 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.121 -10.099 0.977 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -6.082 -11.762 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.117 -11.276 3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.098 -11.934 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -7.904 -12.715 1.241 1.00 0.00 H new ATOM 1649 N THR A 111 -9.462 -9.380 1.263 1.00 0.00 N ATOM 1650 CA THR A 111 -10.832 -8.897 1.383 1.00 0.00 C ATOM 1651 C THR A 111 -11.696 -9.881 2.163 1.00 0.00 C ATOM 1652 O THR A 111 -11.223 -10.936 2.585 1.00 0.00 O ATOM 1653 CB THR A 111 -11.466 -8.659 -0.001 1.00 0.00 C ATOM 1654 OG1 THR A 111 -11.024 -9.663 -0.921 1.00 0.00 O ATOM 1655 CG2 THR A 111 -11.103 -7.281 -0.533 1.00 0.00 C ATOM 0 H THR A 111 -9.180 -9.618 0.312 1.00 0.00 H new ATOM 0 HA THR A 111 -10.788 -7.951 1.922 1.00 0.00 H new ATOM 0 HB THR A 111 -12.549 -8.716 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 111 -11.083 -9.317 -1.836 1.00 0.00 H new ATOM 0 HG21 THR A 111 -11.562 -7.136 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 111 -11.467 -6.518 0.155 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.020 -7.200 -0.625 1.00 0.00 H new ATOM 1663 N GLN A 112 -12.964 -9.529 2.349 1.00 0.00 N ATOM 1664 CA GLN A 112 -13.894 -10.383 3.079 1.00 0.00 C ATOM 1665 C GLN A 112 -14.911 -11.014 2.133 1.00 0.00 C ATOM 1666 O GLN A 112 -15.359 -10.400 1.165 1.00 0.00 O ATOM 1667 CB GLN A 112 -14.616 -9.579 4.161 1.00 0.00 C ATOM 1668 CG GLN A 112 -13.808 -8.403 4.686 1.00 0.00 C ATOM 1669 CD GLN A 112 -12.644 -8.837 5.555 1.00 0.00 C ATOM 1670 OE1 GLN A 112 -12.397 -10.030 5.731 1.00 0.00 O ATOM 1671 NE2 GLN A 112 -11.921 -7.868 6.103 1.00 0.00 N ATOM 0 H GLN A 112 -13.371 -8.659 2.005 1.00 0.00 H new ATOM 0 HA GLN A 112 -13.321 -11.181 3.551 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.560 -9.210 3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -14.860 -10.241 4.992 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.431 -7.821 3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -14.461 -7.746 5.261 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -12.162 -6.892 5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.125 -8.099 6.697 1.00 0.00 H new ATOM 1680 N PRO A 113 -15.285 -12.270 2.418 1.00 0.00 N ATOM 1681 CA PRO A 113 -16.253 -13.011 1.605 1.00 0.00 C ATOM 1682 C PRO A 113 -17.667 -12.456 1.738 1.00 0.00 C ATOM 1683 O PRO A 113 -18.329 -12.657 2.755 1.00 0.00 O ATOM 1684 CB PRO A 113 -16.180 -14.431 2.173 1.00 0.00 C ATOM 1685 CG PRO A 113 -15.709 -14.254 3.575 1.00 0.00 C ATOM 1686 CD PRO A 113 -14.791 -13.063 3.557 1.00 0.00 C ATOM 0 HA PRO A 113 -16.023 -12.950 0.541 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.153 -14.921 2.141 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -15.492 -15.052 1.600 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.548 -14.089 4.251 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.187 -15.144 3.926 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -14.842 -12.502 4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.751 -13.359 3.420 1.00 0.00 H new ATOM 1694 N GLU A 114 -18.123 -11.758 0.702 1.00 0.00 N ATOM 1695 CA GLU A 114 -19.459 -11.174 0.705 1.00 0.00 C ATOM 1696 C GLU A 114 -20.491 -12.174 0.192 1.00 0.00 C ATOM 1697 O GLU A 114 -21.673 -11.854 0.068 1.00 0.00 O ATOM 1698 CB GLU A 114 -19.489 -9.909 -0.154 1.00 0.00 C ATOM 1699 CG GLU A 114 -18.897 -10.100 -1.541 1.00 0.00 C ATOM 1700 CD GLU A 114 -19.301 -9.002 -2.505 1.00 0.00 C ATOM 1701 OE1 GLU A 114 -19.404 -7.837 -2.066 1.00 0.00 O ATOM 1702 OE2 GLU A 114 -19.515 -9.306 -3.696 1.00 0.00 O ATOM 0 H GLU A 114 -17.588 -11.584 -0.149 1.00 0.00 H new ATOM 0 HA GLU A 114 -19.711 -10.913 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.521 -9.571 -0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -18.942 -9.118 0.360 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.810 -10.131 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -19.217 -11.063 -1.939 1.00 0.00 H new ATOM 1709 N SER A 115 -20.035 -13.387 -0.105 1.00 0.00 N ATOM 1710 CA SER A 115 -20.917 -14.434 -0.608 1.00 0.00 C ATOM 1711 C SER A 115 -20.937 -15.630 0.339 1.00 0.00 C ATOM 1712 O SER A 115 -19.915 -15.993 0.920 1.00 0.00 O ATOM 1713 CB SER A 115 -20.470 -14.879 -2.002 1.00 0.00 C ATOM 1714 OG SER A 115 -20.815 -13.915 -2.981 1.00 0.00 O ATOM 0 H SER A 115 -19.060 -13.669 -0.006 1.00 0.00 H new ATOM 0 HA SER A 115 -21.926 -14.027 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 115 -19.392 -15.038 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 115 -20.934 -15.834 -2.248 1.00 0.00 H new ATOM 0 HG SER A 115 -20.517 -14.223 -3.862 1.00 0.00 H new ATOM 1720 N GLY A 116 -22.109 -16.238 0.489 1.00 0.00 N ATOM 1721 CA GLY A 116 -22.242 -17.387 1.366 1.00 0.00 C ATOM 1722 C GLY A 116 -23.558 -18.115 1.173 1.00 0.00 C ATOM 1723 O GLY A 116 -24.587 -17.511 0.871 1.00 0.00 O ATOM 0 H GLY A 116 -22.969 -15.956 0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -21.418 -18.077 1.183 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -22.160 -17.060 2.403 1.00 0.00 H new ATOM 1727 N PRO A 117 -23.534 -19.444 1.347 1.00 0.00 N ATOM 1728 CA PRO A 117 -24.725 -20.284 1.194 1.00 0.00 C ATOM 1729 C PRO A 117 -25.741 -20.058 2.309 1.00 0.00 C ATOM 1730 O PRO A 117 -26.945 -20.212 2.105 1.00 0.00 O ATOM 1731 CB PRO A 117 -24.167 -21.708 1.261 1.00 0.00 C ATOM 1732 CG PRO A 117 -22.905 -21.584 2.043 1.00 0.00 C ATOM 1733 CD PRO A 117 -22.342 -20.230 1.708 1.00 0.00 C ATOM 0 HA PRO A 117 -25.262 -20.065 0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -24.869 -22.386 1.747 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -23.978 -22.106 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -23.098 -21.673 3.112 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -22.203 -22.375 1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -21.814 -19.793 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -21.631 -20.283 0.883 1.00 0.00 H new ATOM 1741 N SER A 118 -25.248 -19.692 3.488 1.00 0.00 N ATOM 1742 CA SER A 118 -26.113 -19.448 4.636 1.00 0.00 C ATOM 1743 C SER A 118 -25.848 -18.068 5.232 1.00 0.00 C ATOM 1744 O SER A 118 -24.925 -17.367 4.817 1.00 0.00 O ATOM 1745 CB SER A 118 -25.899 -20.525 5.701 1.00 0.00 C ATOM 1746 OG SER A 118 -26.183 -21.814 5.186 1.00 0.00 O ATOM 0 H SER A 118 -24.254 -19.558 3.673 1.00 0.00 H new ATOM 0 HA SER A 118 -27.147 -19.485 4.295 1.00 0.00 H new ATOM 0 HB2 SER A 118 -24.869 -20.490 6.056 1.00 0.00 H new ATOM 0 HB3 SER A 118 -26.539 -20.324 6.560 1.00 0.00 H new ATOM 0 HG SER A 118 -26.037 -22.485 5.885 1.00 0.00 H new ATOM 1752 N SER A 119 -26.665 -17.685 6.208 1.00 0.00 N ATOM 1753 CA SER A 119 -26.523 -16.389 6.859 1.00 0.00 C ATOM 1754 C SER A 119 -25.786 -16.526 8.188 1.00 0.00 C ATOM 1755 O SER A 119 -26.337 -17.027 9.167 1.00 0.00 O ATOM 1756 CB SER A 119 -27.897 -15.756 7.088 1.00 0.00 C ATOM 1757 OG SER A 119 -27.784 -14.362 7.320 1.00 0.00 O ATOM 0 H SER A 119 -27.432 -18.254 6.565 1.00 0.00 H new ATOM 0 HA SER A 119 -25.938 -15.744 6.204 1.00 0.00 H new ATOM 0 HB2 SER A 119 -28.532 -15.933 6.220 1.00 0.00 H new ATOM 0 HB3 SER A 119 -28.383 -16.232 7.940 1.00 0.00 H new ATOM 0 HG SER A 119 -28.676 -13.981 7.462 1.00 0.00 H new ATOM 1763 N GLY A 120 -24.535 -16.077 8.213 1.00 0.00 N ATOM 1764 CA GLY A 120 -23.742 -16.159 9.426 1.00 0.00 C ATOM 1765 C GLY A 120 -23.900 -17.490 10.133 1.00 0.00 C ATOM 1766 O GLY A 120 -22.913 -18.167 10.423 1.00 0.00 O ATOM 0 H GLY A 120 -24.057 -15.658 7.415 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -22.691 -16.004 9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -24.034 -15.355 10.102 1.00 0.00 H new TER 1770 GLY A 120