USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 737 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 THR OG1 : rot -59:sc= -0.0376 USER MOD Set 1.2: A 101 HIS : no HE2:sc= 0.824 K(o=0.79,f=-3.6!) USER MOD Set 2.1: A 70 SER OG : rot -150:sc= -0.645 USER MOD Set 2.2: A 73 ASN : amide:sc= -0.0398 X(o=-0.68,f=-0.78) USER MOD Set 3.1: A 37 LYS NZ :NH3+ -165:sc= 1.19 (180deg=-0.259) USER MOD Set 3.2: A 44 SER OG : rot -140:sc= 1.09 USER MOD Set 4.1: A 32 LYS NZ :NH3+ 158:sc= 0.448 (180deg=0) USER MOD Set 4.2: A 82 SER OG : rot 39:sc= -0.0259 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= -1.08! (180deg=-1.3!) USER MOD Single : A 3 GLN : amide:sc= -1.64! C(o=-1.6!,f=-6.8!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.17 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.49! USER MOD Single : A 18 GLN : amide:sc= -0.15 K(o=-0.15,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 76:sc= 0.709 USER MOD Single : A 31 TYR OH : rot -130:sc= 0.0378 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0147 K(o=-0.015,f=-0.59) USER MOD Single : A 53 THR OG1 : rot 73:sc= 0.0974 USER MOD Single : A 58 GLN : amide:sc= -1.02 X(o=-1,f=-0.54) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 64 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.57 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 75 TYR OH : rot -157:sc= 1.23 USER MOD Single : A 85 SER OG : rot 130:sc= 0.661 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0547 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.810 -2.023 4.751 1.00 1.09 N ATOM 2 CA MET A 1 16.992 -0.636 4.258 1.00 0.39 C ATOM 3 C MET A 1 15.676 -0.039 3.763 1.00 0.30 C ATOM 4 O MET A 1 15.515 1.180 3.748 1.00 0.45 O ATOM 5 CB MET A 1 18.031 -0.593 3.133 1.00 1.38 C ATOM 6 CG MET A 1 19.468 -0.781 3.604 1.00 2.13 C ATOM 7 SD MET A 1 19.754 -2.358 4.432 1.00 3.23 S ATOM 8 CE MET A 1 21.510 -2.244 4.773 1.00 3.75 C ATOM 0 H1 MET A 1 17.704 -2.367 5.157 1.00 1.09 H new ATOM 0 H2 MET A 1 16.070 -2.038 5.481 1.00 1.09 H new ATOM 0 H3 MET A 1 16.529 -2.638 3.961 1.00 1.09 H new ATOM 0 HA MET A 1 17.346 -0.039 5.098 1.00 0.39 H new ATOM 0 HB2 MET A 1 17.794 -1.369 2.405 1.00 1.38 H new ATOM 0 HB3 MET A 1 17.952 0.364 2.616 1.00 1.38 H new ATOM 0 HG2 MET A 1 20.136 -0.704 2.746 1.00 2.13 H new ATOM 0 HG3 MET A 1 19.728 0.030 4.284 1.00 2.13 H new ATOM 0 HE1 MET A 1 21.841 -3.148 5.285 1.00 3.75 H new ATOM 0 HE2 MET A 1 22.056 -2.137 3.836 1.00 3.75 H new ATOM 0 HE3 MET A 1 21.702 -1.378 5.406 1.00 3.75 H new ATOM 20 N VAL A 2 14.735 -0.884 3.351 1.00 0.15 N ATOM 21 CA VAL A 2 13.439 -0.388 2.904 1.00 0.10 C ATOM 22 C VAL A 2 12.439 -0.376 4.063 1.00 0.09 C ATOM 23 O VAL A 2 12.533 -1.183 4.985 1.00 0.12 O ATOM 24 CB VAL A 2 12.855 -1.214 1.730 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.622 -0.535 1.189 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.864 -1.403 0.614 1.00 0.09 C ATOM 0 H VAL A 2 14.843 -1.898 3.318 1.00 0.15 H new ATOM 0 HA VAL A 2 13.605 0.628 2.545 1.00 0.10 H new ATOM 0 HB VAL A 2 12.597 -2.200 2.117 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.216 -1.121 0.364 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.875 -0.455 1.979 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.882 0.462 0.833 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.414 -1.987 -0.189 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.167 -0.429 0.228 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.738 -1.928 0.999 1.00 0.09 H new ATOM 36 N GLN A 3 11.502 0.556 4.003 1.00 0.09 N ATOM 37 CA GLN A 3 10.459 0.721 4.994 1.00 0.10 C ATOM 38 C GLN A 3 9.124 0.604 4.284 1.00 0.11 C ATOM 39 O GLN A 3 9.083 0.639 3.056 1.00 0.17 O ATOM 40 CB GLN A 3 10.567 2.101 5.641 1.00 0.16 C ATOM 41 CG GLN A 3 11.886 2.382 6.328 1.00 0.79 C ATOM 42 CD GLN A 3 12.195 1.433 7.479 1.00 1.14 C ATOM 43 OE1 GLN A 3 11.797 0.270 7.481 1.00 1.37 O ATOM 44 NE2 GLN A 3 12.914 1.928 8.470 1.00 2.03 N ATOM 0 H GLN A 3 11.447 1.234 3.243 1.00 0.09 H new ATOM 0 HA GLN A 3 10.554 -0.038 5.771 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.405 2.859 4.875 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.764 2.208 6.370 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.688 2.320 5.593 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.878 3.405 6.705 1.00 0.79 H new ATOM 0 HE21 GLN A 3 13.229 2.898 8.437 1.00 2.03 H new ATOM 0 HE22 GLN A 3 13.155 1.341 9.268 1.00 2.03 H new ATOM 53 N CYS A 4 8.037 0.465 5.014 1.00 0.12 N ATOM 54 CA CYS A 4 6.755 0.343 4.353 1.00 0.13 C ATOM 55 C CYS A 4 5.618 0.892 5.200 1.00 0.17 C ATOM 56 O CYS A 4 5.621 0.794 6.427 1.00 0.29 O ATOM 57 CB CYS A 4 6.497 -1.114 3.977 1.00 0.17 C ATOM 58 SG CYS A 4 5.656 -2.094 5.256 1.00 0.30 S ATOM 0 H CYS A 4 8.012 0.434 6.033 1.00 0.12 H new ATOM 0 HA CYS A 4 6.792 0.945 3.445 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.897 -1.139 3.067 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.450 -1.589 3.744 1.00 0.17 H new ATOM 63 N GLU A 5 4.663 1.478 4.504 1.00 0.14 N ATOM 64 CA GLU A 5 3.453 2.034 5.075 1.00 0.16 C ATOM 65 C GLU A 5 2.302 1.681 4.146 1.00 0.15 C ATOM 66 O GLU A 5 2.522 1.105 3.082 1.00 0.17 O ATOM 67 CB GLU A 5 3.553 3.559 5.199 1.00 0.24 C ATOM 68 CG GLU A 5 4.675 4.049 6.099 1.00 0.33 C ATOM 69 CD GLU A 5 4.422 3.758 7.565 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.553 4.413 8.172 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.091 2.861 8.121 1.00 1.87 O ATOM 0 H GLU A 5 4.711 1.583 3.491 1.00 0.14 H new ATOM 0 HA GLU A 5 3.298 1.625 6.073 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.692 3.983 4.204 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.606 3.942 5.580 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.610 3.578 5.796 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.801 5.123 5.963 1.00 0.33 H new ATOM 78 N VAL A 6 1.089 2.023 4.528 1.00 0.17 N ATOM 79 CA VAL A 6 -0.074 1.681 3.740 1.00 0.18 C ATOM 80 C VAL A 6 -1.051 2.833 3.663 1.00 0.21 C ATOM 81 O VAL A 6 -1.462 3.390 4.680 1.00 0.33 O ATOM 82 CB VAL A 6 -0.777 0.452 4.312 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.156 -0.817 3.762 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.694 0.470 5.829 1.00 0.20 C ATOM 0 H VAL A 6 0.884 2.540 5.383 1.00 0.17 H new ATOM 0 HA VAL A 6 0.276 1.457 2.732 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.826 0.475 4.016 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.669 -1.684 4.180 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.251 -0.828 2.676 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.899 -0.853 4.034 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.197 -0.409 6.231 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.352 0.462 6.136 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.177 1.370 6.209 1.00 0.20 H new ATOM 94 N GLU A 7 -1.419 3.187 2.446 1.00 0.16 N ATOM 95 CA GLU A 7 -2.278 4.334 2.216 1.00 0.16 C ATOM 96 C GLU A 7 -3.439 4.001 1.302 1.00 0.16 C ATOM 97 O GLU A 7 -3.405 3.041 0.534 1.00 0.28 O ATOM 98 CB GLU A 7 -1.485 5.477 1.587 1.00 0.26 C ATOM 99 CG GLU A 7 -0.095 5.651 2.159 1.00 0.24 C ATOM 100 CD GLU A 7 0.193 7.091 2.517 1.00 1.05 C ATOM 101 OE1 GLU A 7 0.520 7.877 1.605 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.123 7.441 3.714 1.00 1.11 O ATOM 0 H GLU A 7 -1.136 2.695 1.599 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.669 4.631 3.189 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -1.406 5.303 0.514 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.040 6.406 1.719 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.012 5.028 3.047 1.00 0.24 H new ATOM 0 HG3 GLU A 7 0.641 5.303 1.435 1.00 0.24 H new ATOM 109 N ALA A 8 -4.464 4.822 1.402 1.00 0.14 N ATOM 110 CA ALA A 8 -5.593 4.775 0.506 1.00 0.12 C ATOM 111 C ALA A 8 -5.828 6.183 -0.032 1.00 0.15 C ATOM 112 O ALA A 8 -5.972 7.127 0.745 1.00 0.17 O ATOM 113 CB ALA A 8 -6.806 4.272 1.255 1.00 0.13 C ATOM 0 H ALA A 8 -4.534 5.547 2.116 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.404 4.097 -0.326 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.661 4.235 0.580 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.606 3.273 1.642 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -7.027 4.945 2.084 1.00 0.13 H new ATOM 119 N ALA A 9 -5.854 6.330 -1.343 1.00 0.16 N ATOM 120 CA ALA A 9 -5.982 7.639 -1.968 1.00 0.19 C ATOM 121 C ALA A 9 -7.351 7.793 -2.608 1.00 0.19 C ATOM 122 O ALA A 9 -7.626 7.219 -3.658 1.00 0.20 O ATOM 123 CB ALA A 9 -4.884 7.834 -3.001 1.00 0.22 C ATOM 0 H ALA A 9 -5.788 5.555 -2.003 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.878 8.405 -1.199 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -4.989 8.816 -3.462 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.911 7.763 -2.515 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.964 7.063 -3.767 1.00 0.22 H new ATOM 129 N VAL A 10 -8.207 8.573 -1.978 1.00 0.22 N ATOM 130 CA VAL A 10 -9.585 8.686 -2.417 1.00 0.23 C ATOM 131 C VAL A 10 -9.756 9.737 -3.511 1.00 0.27 C ATOM 132 O VAL A 10 -9.194 10.832 -3.447 1.00 0.33 O ATOM 133 CB VAL A 10 -10.521 9.001 -1.235 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.933 9.280 -1.723 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.513 7.852 -0.233 1.00 0.27 C ATOM 0 H VAL A 10 -7.974 9.138 -1.161 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.858 7.718 -2.837 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.155 9.898 -0.736 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.576 9.500 -0.871 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.922 10.135 -2.399 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.315 8.406 -2.250 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.179 8.088 0.597 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.853 6.940 -0.723 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.501 7.705 0.144 1.00 0.27 H new ATOM 145 N SER A 11 -10.524 9.364 -4.518 1.00 0.29 N ATOM 146 CA SER A 11 -10.903 10.243 -5.605 1.00 0.36 C ATOM 147 C SER A 11 -12.428 10.377 -5.618 1.00 0.45 C ATOM 148 O SER A 11 -13.113 9.754 -4.802 1.00 0.63 O ATOM 149 CB SER A 11 -10.381 9.675 -6.926 1.00 0.45 C ATOM 150 OG SER A 11 -10.767 10.469 -8.038 1.00 1.22 O ATOM 0 H SER A 11 -10.908 8.423 -4.603 1.00 0.29 H new ATOM 0 HA SER A 11 -10.466 11.232 -5.470 1.00 0.36 H new ATOM 0 HB2 SER A 11 -9.294 9.610 -6.888 1.00 0.45 H new ATOM 0 HB3 SER A 11 -10.757 8.660 -7.058 1.00 0.45 H new ATOM 0 HG SER A 11 -10.412 10.073 -8.861 1.00 1.22 H new ATOM 156 N GLY A 12 -12.957 11.187 -6.522 1.00 0.45 N ATOM 157 CA GLY A 12 -14.390 11.403 -6.580 1.00 0.54 C ATOM 158 C GLY A 12 -15.150 10.186 -7.072 1.00 0.49 C ATOM 159 O GLY A 12 -15.440 10.067 -8.261 1.00 0.61 O ATOM 0 H GLY A 12 -12.419 11.701 -7.219 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.752 11.675 -5.588 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.599 12.246 -7.238 1.00 0.54 H new ATOM 163 N GLY A 13 -15.484 9.287 -6.154 1.00 0.45 N ATOM 164 CA GLY A 13 -16.239 8.096 -6.504 1.00 0.48 C ATOM 165 C GLY A 13 -15.380 6.846 -6.551 1.00 0.41 C ATOM 166 O GLY A 13 -15.894 5.727 -6.546 1.00 0.45 O ATOM 0 H GLY A 13 -15.244 9.362 -5.166 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -17.040 7.953 -5.779 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.711 8.243 -7.475 1.00 0.48 H new ATOM 170 N HIS A 14 -14.070 7.026 -6.569 1.00 0.34 N ATOM 171 CA HIS A 14 -13.146 5.899 -6.598 1.00 0.31 C ATOM 172 C HIS A 14 -12.088 6.070 -5.526 1.00 0.30 C ATOM 173 O HIS A 14 -11.836 7.177 -5.075 1.00 0.43 O ATOM 174 CB HIS A 14 -12.470 5.766 -7.967 1.00 0.34 C ATOM 175 CG HIS A 14 -13.393 5.367 -9.076 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.801 6.234 -10.065 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.967 4.175 -9.364 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.584 5.595 -10.913 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.701 4.345 -10.511 1.00 1.82 N ATOM 0 H HIS A 14 -13.620 7.941 -6.564 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.720 4.992 -6.409 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -12.004 6.718 -8.223 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.670 5.029 -7.894 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.866 3.261 -8.797 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -15.050 6.023 -11.788 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.248 3.621 -10.977 1.00 1.82 H new ATOM 188 N VAL A 15 -11.489 4.980 -5.102 1.00 0.23 N ATOM 189 CA VAL A 15 -10.414 5.045 -4.134 1.00 0.20 C ATOM 190 C VAL A 15 -9.221 4.243 -4.632 1.00 0.18 C ATOM 191 O VAL A 15 -9.315 3.042 -4.858 1.00 0.17 O ATOM 192 CB VAL A 15 -10.866 4.565 -2.724 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.508 3.181 -2.762 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.697 4.581 -1.748 1.00 0.17 C ATOM 0 H VAL A 15 -11.727 4.038 -5.411 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.119 6.089 -4.027 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.626 5.266 -2.378 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.806 2.891 -1.755 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.386 3.205 -3.408 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.791 2.458 -3.151 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.036 4.242 -0.769 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.912 3.918 -2.110 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.306 5.595 -1.665 1.00 0.17 H new ATOM 204 N THR A 16 -8.109 4.920 -4.827 1.00 0.17 N ATOM 205 CA THR A 16 -6.900 4.278 -5.295 1.00 0.16 C ATOM 206 C THR A 16 -6.030 3.930 -4.104 1.00 0.14 C ATOM 207 O THR A 16 -5.554 4.805 -3.398 1.00 0.15 O ATOM 208 CB THR A 16 -6.119 5.211 -6.240 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.897 5.498 -7.411 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.784 4.597 -6.634 1.00 0.19 C ATOM 0 H THR A 16 -8.018 5.923 -4.667 1.00 0.17 H new ATOM 0 HA THR A 16 -7.170 3.375 -5.842 1.00 0.16 H new ATOM 0 HB THR A 16 -5.922 6.142 -5.709 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.391 6.093 -8.003 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.254 5.277 -7.301 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.185 4.425 -5.740 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.956 3.649 -7.144 1.00 0.19 H new ATOM 218 N LEU A 17 -5.811 2.657 -3.887 1.00 0.12 N ATOM 219 CA LEU A 17 -5.082 2.225 -2.721 1.00 0.10 C ATOM 220 C LEU A 17 -3.669 1.834 -3.098 1.00 0.13 C ATOM 221 O LEU A 17 -3.446 1.259 -4.162 1.00 0.17 O ATOM 222 CB LEU A 17 -5.813 1.084 -2.052 1.00 0.11 C ATOM 223 CG LEU A 17 -5.784 1.142 -0.535 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.167 0.898 0.019 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.778 0.154 0.015 1.00 0.11 C ATOM 0 H LEU A 17 -6.126 1.905 -4.500 1.00 0.12 H new ATOM 0 HA LEU A 17 -5.017 3.049 -2.010 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.850 1.084 -2.386 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.373 0.142 -2.379 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.468 2.137 -0.221 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.136 0.942 1.108 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.849 1.662 -0.355 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.516 -0.086 -0.295 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.771 0.210 1.104 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.052 -0.855 -0.295 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.786 0.394 -0.367 1.00 0.11 H new ATOM 237 N GLN A 18 -2.722 2.175 -2.234 1.00 0.15 N ATOM 238 CA GLN A 18 -1.313 1.988 -2.516 1.00 0.19 C ATOM 239 C GLN A 18 -0.494 2.077 -1.222 1.00 0.24 C ATOM 240 O GLN A 18 -0.770 2.914 -0.364 1.00 0.51 O ATOM 241 CB GLN A 18 -0.863 3.053 -3.518 1.00 0.32 C ATOM 242 CG GLN A 18 -1.331 4.459 -3.153 1.00 0.78 C ATOM 243 CD GLN A 18 -1.012 5.496 -4.209 1.00 1.03 C ATOM 244 OE1 GLN A 18 -0.969 5.205 -5.403 1.00 1.58 O ATOM 245 NE2 GLN A 18 -0.789 6.723 -3.770 1.00 1.77 N ATOM 0 H GLN A 18 -2.913 2.588 -1.321 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.151 0.999 -2.945 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.225 3.045 -3.583 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -1.243 2.796 -4.507 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.408 4.443 -2.985 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.866 4.755 -2.213 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -0.834 6.923 -2.771 1.00 1.77 H new ATOM 0 HE22 GLN A 18 -0.572 7.469 -4.430 1.00 1.77 H new ATOM 254 N GLY A 19 0.507 1.217 -1.079 1.00 0.17 N ATOM 255 CA GLY A 19 1.315 1.213 0.134 1.00 0.18 C ATOM 256 C GLY A 19 2.603 2.004 -0.029 1.00 0.18 C ATOM 257 O GLY A 19 3.357 1.772 -0.967 1.00 0.19 O ATOM 0 H GLY A 19 0.776 0.523 -1.776 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.735 1.633 0.956 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.554 0.185 0.405 1.00 0.18 H new ATOM 261 N VAL A 20 2.867 2.936 0.884 1.00 0.17 N ATOM 262 CA VAL A 20 4.037 3.804 0.771 1.00 0.18 C ATOM 263 C VAL A 20 5.271 3.182 1.389 1.00 0.21 C ATOM 264 O VAL A 20 5.363 2.977 2.587 1.00 0.45 O ATOM 265 CB VAL A 20 3.791 5.197 1.388 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.098 5.879 1.788 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.026 6.073 0.415 1.00 0.20 C ATOM 0 H VAL A 20 2.290 3.109 1.707 1.00 0.17 H new ATOM 0 HA VAL A 20 4.212 3.927 -0.298 1.00 0.18 H new ATOM 0 HB VAL A 20 3.199 5.056 2.292 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.881 6.857 2.218 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.618 5.266 2.524 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.729 6.002 0.908 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.859 7.053 0.862 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.602 6.186 -0.503 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.066 5.610 0.186 1.00 0.20 H new ATOM 277 N ILE A 21 6.216 2.899 0.539 1.00 0.13 N ATOM 278 CA ILE A 21 7.497 2.373 0.936 1.00 0.11 C ATOM 279 C ILE A 21 8.514 3.487 1.036 1.00 0.13 C ATOM 280 O ILE A 21 8.949 4.033 0.031 1.00 0.14 O ATOM 281 CB ILE A 21 7.973 1.335 -0.093 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.387 -0.013 0.244 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.490 1.244 -0.174 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.520 -0.971 -0.892 1.00 0.10 C ATOM 0 H ILE A 21 6.119 3.029 -0.468 1.00 0.13 H new ATOM 0 HA ILE A 21 7.394 1.899 1.912 1.00 0.11 H new ATOM 0 HB ILE A 21 7.624 1.660 -1.073 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.888 -0.419 1.123 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.334 0.102 0.502 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.771 0.496 -0.916 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.898 2.213 -0.463 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.890 0.958 0.799 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.086 -1.931 -0.611 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.996 -0.577 -1.763 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.575 -1.106 -1.133 1.00 0.10 H new ATOM 296 N THR A 22 8.876 3.864 2.233 1.00 0.13 N ATOM 297 CA THR A 22 10.014 4.728 2.374 1.00 0.14 C ATOM 298 C THR A 22 11.237 3.865 2.276 1.00 0.14 C ATOM 299 O THR A 22 11.293 2.808 2.869 1.00 0.18 O ATOM 300 CB THR A 22 10.046 5.480 3.702 1.00 0.16 C ATOM 301 OG1 THR A 22 8.738 5.978 4.021 1.00 0.20 O ATOM 302 CG2 THR A 22 11.029 6.631 3.609 1.00 0.17 C ATOM 0 H THR A 22 8.414 3.595 3.102 1.00 0.13 H new ATOM 0 HA THR A 22 9.966 5.486 1.592 1.00 0.14 H new ATOM 0 HB THR A 22 10.362 4.798 4.491 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.770 6.457 4.875 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.052 7.168 4.557 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.023 6.243 3.388 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.720 7.310 2.815 1.00 0.17 H new ATOM 310 N ALA A 23 12.202 4.272 1.520 1.00 0.12 N ATOM 311 CA ALA A 23 13.378 3.467 1.398 1.00 0.12 C ATOM 312 C ALA A 23 14.573 4.270 1.813 1.00 0.14 C ATOM 313 O ALA A 23 14.836 5.302 1.245 1.00 0.16 O ATOM 314 CB ALA A 23 13.503 2.980 -0.025 1.00 0.11 C ATOM 0 H ALA A 23 12.205 5.140 0.985 1.00 0.12 H new ATOM 0 HA ALA A 23 13.313 2.596 2.050 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.398 2.366 -0.122 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.626 2.387 -0.285 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.575 3.835 -0.697 1.00 0.11 H new ATOM 320 N VAL A 24 15.285 3.807 2.815 1.00 0.16 N ATOM 321 CA VAL A 24 16.415 4.559 3.340 1.00 0.18 C ATOM 322 C VAL A 24 17.605 4.553 2.374 1.00 0.20 C ATOM 323 O VAL A 24 18.597 5.252 2.583 1.00 0.25 O ATOM 324 CB VAL A 24 16.848 4.029 4.720 1.00 0.22 C ATOM 325 CG1 VAL A 24 17.984 4.863 5.284 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.662 4.030 5.665 1.00 0.23 C ATOM 0 H VAL A 24 15.108 2.919 3.284 1.00 0.16 H new ATOM 0 HA VAL A 24 16.080 5.590 3.453 1.00 0.18 H new ATOM 0 HB VAL A 24 17.208 3.006 4.607 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.274 4.471 6.259 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.837 4.820 4.607 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.657 5.897 5.391 1.00 0.25 H new ATOM 0 HG21 VAL A 24 15.973 3.654 6.640 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.283 5.046 5.772 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.876 3.390 5.263 1.00 0.23 H new ATOM 336 N ARG A 25 17.511 3.790 1.298 1.00 0.21 N ATOM 337 CA ARG A 25 18.587 3.753 0.330 1.00 0.24 C ATOM 338 C ARG A 25 18.058 3.881 -1.093 1.00 0.23 C ATOM 339 O ARG A 25 17.055 3.264 -1.448 1.00 0.26 O ATOM 340 CB ARG A 25 19.399 2.484 0.501 1.00 0.33 C ATOM 341 CG ARG A 25 20.152 2.456 1.811 1.00 0.40 C ATOM 342 CD ARG A 25 21.313 3.422 1.791 1.00 0.73 C ATOM 343 NE ARG A 25 22.082 3.382 3.034 1.00 0.80 N ATOM 344 CZ ARG A 25 22.014 4.310 3.990 1.00 1.41 C ATOM 345 NH1 ARG A 25 21.164 5.327 3.881 1.00 2.18 N ATOM 346 NH2 ARG A 25 22.785 4.208 5.065 1.00 1.42 N ATOM 0 H ARG A 25 16.711 3.197 1.077 1.00 0.21 H new ATOM 0 HA ARG A 25 19.239 4.608 0.509 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.735 1.621 0.448 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.106 2.394 -0.324 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.477 2.711 2.628 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.517 1.447 2.003 1.00 0.40 H new ATOM 0 HD2 ARG A 25 21.967 3.185 0.952 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.940 4.433 1.628 1.00 0.73 H new ATOM 0 HE ARG A 25 22.712 2.593 3.180 1.00 0.80 H new ATOM 0 HH11 ARG A 25 20.559 5.401 3.063 1.00 2.18 H new ATOM 0 HH12 ARG A 25 21.117 6.033 4.615 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.428 3.422 5.159 1.00 1.42 H new ATOM 0 HH22 ARG A 25 22.735 4.916 5.797 1.00 1.42 H new ATOM 360 N ASP A 26 18.734 4.702 -1.889 1.00 0.23 N ATOM 361 CA ASP A 26 18.304 4.991 -3.248 1.00 0.25 C ATOM 362 C ASP A 26 18.777 3.907 -4.208 1.00 0.24 C ATOM 363 O ASP A 26 19.842 3.311 -4.028 1.00 0.32 O ATOM 364 CB ASP A 26 18.824 6.359 -3.706 1.00 0.31 C ATOM 365 CG ASP A 26 20.301 6.350 -4.044 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.131 6.382 -3.111 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.640 6.305 -5.244 1.00 1.54 O ATOM 0 H ASP A 26 19.590 5.182 -1.611 1.00 0.23 H new ATOM 0 HA ASP A 26 17.214 5.012 -3.254 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.259 6.682 -4.581 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.641 7.092 -2.920 1.00 0.31 H new ATOM 372 N GLY A 27 17.969 3.654 -5.214 1.00 0.24 N ATOM 373 CA GLY A 27 18.262 2.636 -6.185 1.00 0.26 C ATOM 374 C GLY A 27 16.993 1.942 -6.601 1.00 0.21 C ATOM 375 O GLY A 27 16.007 2.599 -6.926 1.00 0.23 O ATOM 0 H GLY A 27 17.093 4.150 -5.377 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.746 3.080 -7.055 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.961 1.913 -5.766 1.00 0.26 H new ATOM 379 N ALA A 28 16.998 0.630 -6.562 1.00 0.19 N ATOM 380 CA ALA A 28 15.808 -0.143 -6.859 1.00 0.18 C ATOM 381 C ALA A 28 15.704 -1.327 -5.918 1.00 0.24 C ATOM 382 O ALA A 28 16.687 -2.032 -5.683 1.00 0.45 O ATOM 383 CB ALA A 28 15.809 -0.611 -8.303 1.00 0.21 C ATOM 0 H ALA A 28 17.817 0.070 -6.326 1.00 0.19 H new ATOM 0 HA ALA A 28 14.939 0.499 -6.714 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.905 -1.188 -8.499 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.838 0.254 -8.966 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.684 -1.235 -8.483 1.00 0.21 H new ATOM 389 N GLY A 29 14.518 -1.545 -5.386 1.00 0.15 N ATOM 390 CA GLY A 29 14.310 -2.613 -4.449 1.00 0.19 C ATOM 391 C GLY A 29 13.128 -3.452 -4.846 1.00 0.17 C ATOM 392 O GLY A 29 12.454 -3.154 -5.832 1.00 0.21 O ATOM 0 H GLY A 29 13.686 -0.991 -5.592 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.203 -3.236 -4.398 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.151 -2.202 -3.452 1.00 0.19 H new ATOM 396 N SER A 30 12.852 -4.481 -4.079 1.00 0.15 N ATOM 397 CA SER A 30 11.762 -5.378 -4.409 1.00 0.15 C ATOM 398 C SER A 30 10.796 -5.504 -3.244 1.00 0.13 C ATOM 399 O SER A 30 11.205 -5.621 -2.087 1.00 0.14 O ATOM 400 CB SER A 30 12.306 -6.744 -4.814 1.00 0.20 C ATOM 401 OG SER A 30 13.222 -7.240 -3.849 1.00 0.23 O ATOM 0 H SER A 30 13.361 -4.719 -3.228 1.00 0.15 H new ATOM 0 HA SER A 30 11.214 -4.961 -5.254 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.481 -7.447 -4.931 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.800 -6.669 -5.783 1.00 0.20 H new ATOM 0 HG SER A 30 12.729 -7.570 -3.069 1.00 0.23 H new ATOM 407 N TYR A 31 9.514 -5.470 -3.565 1.00 0.13 N ATOM 408 CA TYR A 31 8.458 -5.480 -2.567 1.00 0.11 C ATOM 409 C TYR A 31 7.147 -5.996 -3.164 1.00 0.13 C ATOM 410 O TYR A 31 6.980 -6.035 -4.385 1.00 0.18 O ATOM 411 CB TYR A 31 8.280 -4.081 -1.983 1.00 0.10 C ATOM 412 CG TYR A 31 8.968 -2.973 -2.758 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.424 -2.504 -3.940 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.146 -2.373 -2.291 1.00 0.08 C ATOM 415 CE1 TYR A 31 9.017 -1.481 -4.642 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.743 -1.339 -2.994 1.00 0.09 C ATOM 417 CZ TYR A 31 10.174 -0.900 -4.167 1.00 0.11 C ATOM 418 OH TYR A 31 10.758 0.130 -4.862 1.00 0.13 O ATOM 0 H TYR A 31 9.175 -5.435 -4.527 1.00 0.13 H new ATOM 0 HA TYR A 31 8.743 -6.159 -1.763 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.214 -3.859 -1.929 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.659 -4.079 -0.961 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.516 -2.950 -4.319 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.594 -2.721 -1.372 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.577 -1.133 -5.565 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.648 -0.881 -2.624 1.00 0.09 H new ATOM 0 HH TYR A 31 11.712 -0.058 -4.986 1.00 0.13 H new ATOM 428 N LYS A 32 6.229 -6.395 -2.293 1.00 0.13 N ATOM 429 CA LYS A 32 4.966 -7.007 -2.700 1.00 0.14 C ATOM 430 C LYS A 32 3.786 -6.401 -1.949 1.00 0.14 C ATOM 431 O LYS A 32 3.630 -6.611 -0.746 1.00 0.13 O ATOM 432 CB LYS A 32 5.009 -8.515 -2.432 1.00 0.16 C ATOM 433 CG LYS A 32 5.819 -8.893 -1.210 1.00 0.17 C ATOM 434 CD LYS A 32 7.259 -9.234 -1.569 1.00 0.25 C ATOM 435 CE LYS A 32 7.344 -10.510 -2.391 1.00 0.40 C ATOM 436 NZ LYS A 32 8.751 -10.873 -2.706 1.00 1.26 N ATOM 0 H LYS A 32 6.337 -6.304 -1.283 1.00 0.13 H new ATOM 0 HA LYS A 32 4.833 -6.818 -3.765 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.990 -8.883 -2.310 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.427 -9.018 -3.304 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.808 -8.068 -0.497 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.355 -9.747 -0.717 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.700 -8.410 -2.129 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.845 -9.349 -0.657 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.872 -11.326 -1.844 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.785 -10.383 -3.318 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.807 -11.889 -2.923 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 9.075 -10.325 -3.528 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.356 -10.660 -1.887 1.00 1.26 H new ATOM 450 N LEU A 33 2.940 -5.673 -2.660 1.00 0.17 N ATOM 451 CA LEU A 33 1.780 -5.050 -2.047 1.00 0.17 C ATOM 452 C LEU A 33 0.524 -5.843 -2.380 1.00 0.19 C ATOM 453 O LEU A 33 0.245 -6.145 -3.538 1.00 0.27 O ATOM 454 CB LEU A 33 1.646 -3.582 -2.497 1.00 0.22 C ATOM 455 CG LEU A 33 0.468 -2.780 -1.905 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.818 -3.067 -2.652 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.282 -3.082 -0.422 1.00 0.49 C ATOM 0 H LEU A 33 3.035 -5.500 -3.661 1.00 0.17 H new ATOM 0 HA LEU A 33 1.911 -5.053 -0.965 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.571 -3.063 -2.246 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.557 -3.566 -3.583 1.00 0.22 H new ATOM 0 HG LEU A 33 0.710 -1.723 -2.017 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.631 -2.488 -2.213 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.700 -2.790 -3.700 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.050 -4.130 -2.582 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.555 -2.502 -0.035 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.079 -4.145 -0.290 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.189 -2.816 0.120 1.00 0.49 H new ATOM 469 N ALA A 34 -0.215 -6.190 -1.350 1.00 0.16 N ATOM 470 CA ALA A 34 -1.501 -6.839 -1.520 1.00 0.19 C ATOM 471 C ALA A 34 -2.596 -6.001 -0.876 1.00 0.18 C ATOM 472 O ALA A 34 -2.379 -5.393 0.169 1.00 0.25 O ATOM 473 CB ALA A 34 -1.474 -8.239 -0.928 1.00 0.25 C ATOM 0 H ALA A 34 0.053 -6.033 -0.378 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.713 -6.927 -2.586 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.447 -8.711 -1.065 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.710 -8.832 -1.430 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.246 -8.180 0.136 1.00 0.25 H new ATOM 479 N VAL A 35 -3.763 -5.951 -1.498 1.00 0.16 N ATOM 480 CA VAL A 35 -4.872 -5.178 -0.956 1.00 0.14 C ATOM 481 C VAL A 35 -6.037 -6.097 -0.612 1.00 0.16 C ATOM 482 O VAL A 35 -6.349 -7.033 -1.350 1.00 0.23 O ATOM 483 CB VAL A 35 -5.349 -4.069 -1.928 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.373 -3.161 -1.257 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.174 -3.246 -2.420 1.00 0.21 C ATOM 0 H VAL A 35 -3.968 -6.433 -2.373 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.508 -4.689 -0.052 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.821 -4.555 -2.782 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.692 -2.391 -1.959 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.236 -3.751 -0.949 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.924 -2.690 -0.382 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.531 -2.473 -3.101 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.676 -2.779 -1.570 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.470 -3.893 -2.943 1.00 0.21 H new ATOM 495 N ASP A 36 -6.660 -5.825 0.517 1.00 0.19 N ATOM 496 CA ASP A 36 -7.779 -6.609 1.003 1.00 0.24 C ATOM 497 C ASP A 36 -9.035 -5.756 0.968 1.00 0.25 C ATOM 498 O ASP A 36 -9.128 -4.756 1.670 1.00 0.31 O ATOM 499 CB ASP A 36 -7.503 -7.067 2.432 1.00 0.33 C ATOM 500 CG ASP A 36 -8.499 -8.091 2.930 1.00 1.05 C ATOM 501 OD1 ASP A 36 -9.570 -7.679 3.428 1.00 1.67 O ATOM 502 OD2 ASP A 36 -8.227 -9.303 2.820 1.00 1.52 O ATOM 0 H ASP A 36 -6.403 -5.049 1.127 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.916 -7.486 0.371 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.500 -7.490 2.484 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.519 -6.201 3.094 1.00 0.33 H new ATOM 507 N LYS A 37 -9.985 -6.129 0.143 1.00 0.28 N ATOM 508 CA LYS A 37 -11.173 -5.328 -0.041 1.00 0.33 C ATOM 509 C LYS A 37 -12.419 -6.107 0.354 1.00 0.46 C ATOM 510 O LYS A 37 -12.564 -7.279 0.009 1.00 0.63 O ATOM 511 CB LYS A 37 -11.223 -4.855 -1.484 1.00 0.42 C ATOM 512 CG LYS A 37 -12.606 -4.788 -2.072 1.00 0.95 C ATOM 513 CD LYS A 37 -12.545 -4.315 -3.511 1.00 0.77 C ATOM 514 CE LYS A 37 -13.921 -4.228 -4.146 1.00 1.13 C ATOM 515 NZ LYS A 37 -14.687 -5.495 -3.998 1.00 1.34 N ATOM 0 H LYS A 37 -9.958 -6.984 -0.413 1.00 0.28 H new ATOM 0 HA LYS A 37 -11.139 -4.454 0.610 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.768 -3.866 -1.545 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.615 -5.524 -2.093 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.076 -5.770 -2.025 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.225 -4.110 -1.485 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -12.067 -3.336 -3.550 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -11.922 -4.997 -4.090 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -14.480 -3.412 -3.689 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -13.817 -3.989 -5.204 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -15.498 -5.488 -4.649 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -14.070 -6.302 -4.222 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -15.029 -5.582 -3.020 1.00 1.34 H new ATOM 529 N ALA A 38 -13.296 -5.457 1.102 1.00 0.41 N ATOM 530 CA ALA A 38 -14.507 -6.087 1.595 1.00 0.52 C ATOM 531 C ALA A 38 -15.639 -5.070 1.715 1.00 0.47 C ATOM 532 O ALA A 38 -15.585 -4.146 2.525 1.00 0.43 O ATOM 533 CB ALA A 38 -14.227 -6.747 2.934 1.00 0.60 C ATOM 0 H ALA A 38 -13.188 -4.482 1.383 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.825 -6.850 0.884 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -15.137 -7.220 3.304 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.450 -7.501 2.812 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.893 -5.994 3.648 1.00 0.60 H new ATOM 539 N GLY A 39 -16.656 -5.242 0.893 1.00 0.57 N ATOM 540 CA GLY A 39 -17.793 -4.344 0.902 1.00 0.60 C ATOM 541 C GLY A 39 -19.078 -5.102 0.665 1.00 0.81 C ATOM 542 O GLY A 39 -19.111 -6.324 0.820 1.00 0.96 O ATOM 0 H GLY A 39 -16.718 -5.997 0.210 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.844 -3.824 1.859 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.667 -3.583 0.132 1.00 0.60 H new ATOM 546 N ALA A 40 -20.133 -4.397 0.285 1.00 0.90 N ATOM 547 CA ALA A 40 -21.405 -5.038 -0.022 1.00 1.14 C ATOM 548 C ALA A 40 -21.276 -5.937 -1.245 1.00 1.33 C ATOM 549 O ALA A 40 -22.045 -6.881 -1.417 1.00 1.57 O ATOM 550 CB ALA A 40 -22.487 -4.001 -0.244 1.00 1.24 C ATOM 0 H ALA A 40 -20.135 -3.382 0.182 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.686 -5.655 0.831 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.429 -4.501 -0.472 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.604 -3.399 0.657 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -22.208 -3.356 -1.077 1.00 1.24 H new ATOM 556 N ALA A 41 -20.292 -5.640 -2.086 1.00 1.28 N ATOM 557 CA ALA A 41 -20.032 -6.433 -3.279 1.00 1.49 C ATOM 558 C ALA A 41 -19.235 -7.692 -2.947 1.00 1.45 C ATOM 559 O ALA A 41 -18.932 -8.497 -3.828 1.00 1.72 O ATOM 560 CB ALA A 41 -19.292 -5.596 -4.313 1.00 1.58 C ATOM 0 H ALA A 41 -19.658 -4.851 -1.961 1.00 1.28 H new ATOM 0 HA ALA A 41 -20.991 -6.745 -3.692 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -19.103 -6.199 -5.201 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -19.899 -4.732 -4.584 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -18.344 -5.257 -3.896 1.00 1.58 H new ATOM 566 N GLY A 42 -18.891 -7.857 -1.676 1.00 1.19 N ATOM 567 CA GLY A 42 -18.156 -9.031 -1.251 1.00 1.21 C ATOM 568 C GLY A 42 -16.708 -8.724 -0.941 1.00 1.01 C ATOM 569 O GLY A 42 -16.333 -7.560 -0.777 1.00 0.86 O ATOM 0 H GLY A 42 -19.109 -7.196 -0.930 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.632 -9.454 -0.366 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -18.205 -9.789 -2.033 1.00 1.21 H new ATOM 573 N THR A 43 -15.894 -9.764 -0.865 1.00 1.03 N ATOM 574 CA THR A 43 -14.490 -9.617 -0.547 1.00 0.88 C ATOM 575 C THR A 43 -13.621 -9.868 -1.782 1.00 0.82 C ATOM 576 O THR A 43 -13.917 -10.746 -2.597 1.00 0.92 O ATOM 577 CB THR A 43 -14.090 -10.585 0.580 1.00 0.97 C ATOM 578 OG1 THR A 43 -14.560 -11.906 0.283 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.662 -10.138 1.914 1.00 1.00 C ATOM 0 H THR A 43 -16.189 -10.728 -1.022 1.00 1.03 H new ATOM 0 HA THR A 43 -14.327 -8.593 -0.211 1.00 0.88 H new ATOM 0 HB THR A 43 -13.002 -10.587 0.649 1.00 0.97 H new ATOM 0 HG1 THR A 43 -14.300 -12.516 1.005 1.00 1.14 H new ATOM 0 HG21 THR A 43 -14.363 -10.841 2.692 1.00 1.00 H new ATOM 0 HG22 THR A 43 -14.284 -9.145 2.157 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.750 -10.107 1.851 1.00 1.00 H new ATOM 587 N SER A 44 -12.563 -9.085 -1.923 1.00 0.73 N ATOM 588 CA SER A 44 -11.649 -9.211 -3.047 1.00 0.69 C ATOM 589 C SER A 44 -10.212 -9.322 -2.543 1.00 0.59 C ATOM 590 O SER A 44 -9.853 -8.702 -1.537 1.00 0.60 O ATOM 591 CB SER A 44 -11.789 -7.999 -3.969 1.00 0.72 C ATOM 592 OG SER A 44 -13.141 -7.799 -4.355 1.00 1.15 O ATOM 0 H SER A 44 -12.314 -8.347 -1.264 1.00 0.73 H new ATOM 0 HA SER A 44 -11.896 -10.113 -3.606 1.00 0.69 H new ATOM 0 HB2 SER A 44 -11.418 -7.109 -3.462 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.172 -8.141 -4.856 1.00 0.72 H new ATOM 0 HG SER A 44 -13.177 -7.538 -5.299 1.00 1.15 H new ATOM 598 N ARG A 45 -9.398 -10.117 -3.228 1.00 0.63 N ATOM 599 CA ARG A 45 -8.006 -10.308 -2.833 1.00 0.60 C ATOM 600 C ARG A 45 -7.075 -9.802 -3.926 1.00 0.51 C ATOM 601 O ARG A 45 -7.024 -10.367 -5.020 1.00 0.65 O ATOM 602 CB ARG A 45 -7.724 -11.779 -2.562 1.00 0.78 C ATOM 603 CG ARG A 45 -8.736 -12.417 -1.639 1.00 1.48 C ATOM 604 CD ARG A 45 -8.826 -11.698 -0.307 1.00 1.56 C ATOM 605 NE ARG A 45 -9.789 -12.350 0.577 1.00 1.96 N ATOM 606 CZ ARG A 45 -10.561 -11.707 1.452 1.00 2.32 C ATOM 607 NH1 ARG A 45 -10.446 -10.395 1.612 1.00 2.28 N ATOM 608 NH2 ARG A 45 -11.443 -12.383 2.176 1.00 3.08 N ATOM 0 H ARG A 45 -9.677 -10.639 -4.059 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.829 -9.741 -1.919 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.712 -12.321 -3.508 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.730 -11.878 -2.125 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.715 -12.415 -2.118 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -8.466 -13.459 -1.470 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -7.845 -11.681 0.168 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -9.120 -10.661 -0.469 1.00 1.56 H new ATOM 0 HE ARG A 45 -9.876 -13.365 0.521 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -9.763 -9.872 1.063 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -11.040 -9.909 2.284 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -11.529 -13.393 2.062 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -12.035 -11.893 2.847 1.00 3.08 H new ATOM 622 N ILE A 46 -6.354 -8.736 -3.639 1.00 0.38 N ATOM 623 CA ILE A 46 -5.467 -8.128 -4.618 1.00 0.33 C ATOM 624 C ILE A 46 -4.007 -8.412 -4.268 1.00 0.30 C ATOM 625 O ILE A 46 -3.639 -8.394 -3.096 1.00 0.34 O ATOM 626 CB ILE A 46 -5.707 -6.611 -4.710 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.130 -6.326 -5.200 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.697 -5.967 -5.637 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.160 -6.212 -4.093 1.00 0.40 C ATOM 0 H ILE A 46 -6.364 -8.269 -2.732 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.686 -8.569 -5.590 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.586 -6.183 -3.715 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.126 -5.399 -5.773 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.433 -7.121 -5.882 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -4.883 -4.894 -5.689 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.691 -6.143 -5.257 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -4.789 -6.400 -6.633 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.139 -6.010 -4.527 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.197 -7.146 -3.533 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.885 -5.398 -3.423 1.00 0.40 H new ATOM 641 N LYS A 47 -3.188 -8.691 -5.282 1.00 0.31 N ATOM 642 CA LYS A 47 -1.778 -9.017 -5.078 1.00 0.38 C ATOM 643 C LYS A 47 -0.909 -8.479 -6.212 1.00 0.41 C ATOM 644 O LYS A 47 -1.014 -8.932 -7.351 1.00 0.51 O ATOM 645 CB LYS A 47 -1.604 -10.530 -4.979 1.00 0.51 C ATOM 646 CG LYS A 47 -1.491 -11.056 -3.558 1.00 0.91 C ATOM 647 CD LYS A 47 -0.085 -10.879 -3.002 1.00 1.56 C ATOM 648 CE LYS A 47 0.028 -11.456 -1.601 1.00 2.17 C ATOM 649 NZ LYS A 47 1.422 -11.418 -1.089 1.00 2.74 N ATOM 0 H LYS A 47 -3.480 -8.697 -6.259 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.458 -8.545 -4.149 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.450 -11.014 -5.467 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.710 -10.818 -5.532 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -2.203 -10.534 -2.919 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -1.760 -12.112 -3.539 1.00 0.91 H new ATOM 0 HD2 LYS A 47 0.633 -11.369 -3.659 1.00 1.56 H new ATOM 0 HD3 LYS A 47 0.171 -9.820 -2.984 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -0.620 -10.897 -0.926 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -0.328 -12.486 -1.604 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 1.451 -11.821 -0.131 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 2.038 -11.973 -1.717 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 1.754 -10.433 -1.060 1.00 2.74 H new ATOM 663 N GLN A 48 -0.054 -7.516 -5.898 1.00 0.40 N ATOM 664 CA GLN A 48 0.903 -6.993 -6.865 1.00 0.47 C ATOM 665 C GLN A 48 2.313 -7.062 -6.291 1.00 0.50 C ATOM 666 O GLN A 48 2.611 -6.428 -5.281 1.00 0.78 O ATOM 667 CB GLN A 48 0.561 -5.549 -7.246 1.00 0.52 C ATOM 668 CG GLN A 48 -0.766 -5.406 -7.972 1.00 0.55 C ATOM 669 CD GLN A 48 -0.976 -4.014 -8.531 1.00 0.82 C ATOM 670 OE1 GLN A 48 -1.533 -3.138 -7.872 1.00 1.63 O ATOM 671 NE2 GLN A 48 -0.531 -3.802 -9.758 1.00 1.37 N ATOM 0 H GLN A 48 -0.003 -7.079 -4.978 1.00 0.40 H new ATOM 0 HA GLN A 48 0.851 -7.605 -7.765 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.538 -4.940 -6.342 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.355 -5.152 -7.878 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.811 -6.131 -8.785 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.579 -5.645 -7.286 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -0.074 -4.555 -10.272 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -0.645 -2.885 -10.190 1.00 1.37 H new ATOM 680 N ALA A 49 3.178 -7.834 -6.930 1.00 0.32 N ATOM 681 CA ALA A 49 4.524 -8.034 -6.420 1.00 0.31 C ATOM 682 C ALA A 49 5.567 -7.836 -7.507 1.00 0.31 C ATOM 683 O ALA A 49 5.311 -8.087 -8.688 1.00 0.39 O ATOM 684 CB ALA A 49 4.654 -9.420 -5.809 1.00 0.33 C ATOM 0 H ALA A 49 2.973 -8.329 -7.798 1.00 0.32 H new ATOM 0 HA ALA A 49 4.703 -7.286 -5.648 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.667 -9.557 -5.431 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.943 -9.524 -4.989 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.445 -10.173 -6.568 1.00 0.33 H new ATOM 690 N GLY A 50 6.744 -7.384 -7.102 1.00 0.25 N ATOM 691 CA GLY A 50 7.828 -7.189 -8.037 1.00 0.26 C ATOM 692 C GLY A 50 8.898 -6.291 -7.474 1.00 0.23 C ATOM 693 O GLY A 50 9.195 -6.338 -6.279 1.00 0.25 O ATOM 0 H GLY A 50 6.967 -7.148 -6.135 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.263 -8.154 -8.296 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.439 -6.757 -8.959 1.00 0.26 H new ATOM 697 N ALA A 51 9.471 -5.466 -8.328 1.00 0.23 N ATOM 698 CA ALA A 51 10.516 -4.560 -7.923 1.00 0.21 C ATOM 699 C ALA A 51 10.287 -3.200 -8.557 1.00 0.23 C ATOM 700 O ALA A 51 9.646 -3.096 -9.604 1.00 0.38 O ATOM 701 CB ALA A 51 11.874 -5.114 -8.306 1.00 0.23 C ATOM 0 H ALA A 51 9.224 -5.408 -9.316 1.00 0.23 H new ATOM 0 HA ALA A 51 10.493 -4.448 -6.839 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.652 -4.418 -7.993 1.00 0.23 H new ATOM 0 HB2 ALA A 51 12.027 -6.075 -7.814 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.920 -5.248 -9.387 1.00 0.23 H new ATOM 707 N PHE A 52 10.804 -2.166 -7.925 1.00 0.15 N ATOM 708 CA PHE A 52 10.633 -0.808 -8.410 1.00 0.16 C ATOM 709 C PHE A 52 11.777 0.062 -7.892 1.00 0.14 C ATOM 710 O PHE A 52 12.587 -0.389 -7.081 1.00 0.16 O ATOM 711 CB PHE A 52 9.263 -0.273 -7.971 1.00 0.17 C ATOM 712 CG PHE A 52 8.932 1.104 -8.467 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.872 1.377 -9.823 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.690 2.127 -7.568 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.575 2.649 -10.272 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.396 3.401 -8.009 1.00 0.18 C ATOM 717 CZ PHE A 52 8.336 3.662 -9.363 1.00 0.23 C ATOM 0 H PHE A 52 11.351 -2.240 -7.067 1.00 0.15 H new ATOM 0 HA PHE A 52 10.663 -0.789 -9.499 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.493 -0.962 -8.317 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.223 -0.270 -6.882 1.00 0.17 H new ATOM 0 HD1 PHE A 52 9.059 0.588 -10.536 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.732 1.926 -6.508 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.530 2.852 -11.332 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.213 4.192 -7.297 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.102 4.657 -9.712 1.00 0.23 H new ATOM 727 N THR A 53 11.853 1.291 -8.370 1.00 0.15 N ATOM 728 CA THR A 53 12.931 2.187 -8.004 1.00 0.16 C ATOM 729 C THR A 53 12.577 2.991 -6.766 1.00 0.16 C ATOM 730 O THR A 53 11.535 3.648 -6.714 1.00 0.27 O ATOM 731 CB THR A 53 13.271 3.142 -9.151 1.00 0.21 C ATOM 732 OG1 THR A 53 12.291 3.017 -10.194 1.00 0.43 O ATOM 733 CG2 THR A 53 14.658 2.851 -9.700 1.00 0.40 C ATOM 0 H THR A 53 11.174 1.692 -9.017 1.00 0.15 H new ATOM 0 HA THR A 53 13.803 1.569 -7.789 1.00 0.16 H new ATOM 0 HB THR A 53 13.262 4.163 -8.769 1.00 0.21 H new ATOM 0 HG1 THR A 53 11.451 3.431 -9.905 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.879 3.541 -10.514 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.396 2.976 -8.908 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.695 1.827 -10.072 1.00 0.40 H new ATOM 741 N ALA A 54 13.450 2.940 -5.778 1.00 0.13 N ATOM 742 CA ALA A 54 13.214 3.616 -4.522 1.00 0.13 C ATOM 743 C ALA A 54 14.346 4.589 -4.220 1.00 0.14 C ATOM 744 O ALA A 54 15.494 4.337 -4.570 1.00 0.23 O ATOM 745 CB ALA A 54 13.054 2.599 -3.397 1.00 0.15 C ATOM 0 H ALA A 54 14.334 2.433 -5.824 1.00 0.13 H new ATOM 0 HA ALA A 54 12.289 4.188 -4.600 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.877 3.121 -2.457 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.209 1.946 -3.614 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.962 2.002 -3.315 1.00 0.15 H new ATOM 751 N ILE A 55 14.016 5.711 -3.601 1.00 0.17 N ATOM 752 CA ILE A 55 15.016 6.706 -3.238 1.00 0.18 C ATOM 753 C ILE A 55 15.209 6.740 -1.738 1.00 0.16 C ATOM 754 O ILE A 55 14.255 6.584 -0.979 1.00 0.14 O ATOM 755 CB ILE A 55 14.637 8.100 -3.753 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.667 8.083 -5.274 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.569 9.160 -3.197 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.782 8.897 -5.888 1.00 0.33 C ATOM 0 H ILE A 55 13.062 5.957 -3.338 1.00 0.17 H new ATOM 0 HA ILE A 55 15.954 6.417 -3.711 1.00 0.18 H new ATOM 0 HB ILE A 55 13.632 8.352 -3.414 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.760 7.051 -5.611 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.714 8.456 -5.648 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.277 10.138 -3.579 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.509 9.163 -2.109 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.592 8.942 -3.503 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.727 8.828 -6.974 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.681 9.939 -5.585 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.743 8.512 -5.548 1.00 0.33 H new ATOM 770 N ALA A 56 16.453 6.931 -1.332 1.00 0.17 N ATOM 771 CA ALA A 56 16.809 6.962 0.079 1.00 0.18 C ATOM 772 C ALA A 56 16.094 8.084 0.806 1.00 0.17 C ATOM 773 O ALA A 56 16.177 9.247 0.408 1.00 0.20 O ATOM 774 CB ALA A 56 18.305 7.085 0.274 1.00 0.22 C ATOM 0 H ALA A 56 17.241 7.068 -1.965 1.00 0.17 H new ATOM 0 HA ALA A 56 16.486 6.013 0.507 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.533 7.105 1.340 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.803 6.233 -0.188 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.658 8.006 -0.190 1.00 0.22 H new ATOM 780 N GLU A 57 15.377 7.707 1.859 1.00 0.16 N ATOM 781 CA GLU A 57 14.614 8.635 2.670 1.00 0.18 C ATOM 782 C GLU A 57 13.543 9.299 1.817 1.00 0.19 C ATOM 783 O GLU A 57 13.184 10.463 2.005 1.00 0.28 O ATOM 784 CB GLU A 57 15.548 9.647 3.311 1.00 0.23 C ATOM 785 CG GLU A 57 16.623 8.990 4.166 1.00 0.27 C ATOM 786 CD GLU A 57 17.613 9.989 4.720 1.00 0.74 C ATOM 787 OE1 GLU A 57 18.562 10.354 3.991 1.00 1.33 O ATOM 788 OE2 GLU A 57 17.455 10.410 5.887 1.00 0.75 O ATOM 0 H GLU A 57 15.312 6.739 2.172 1.00 0.16 H new ATOM 0 HA GLU A 57 14.109 8.102 3.475 1.00 0.18 H new ATOM 0 HB2 GLU A 57 16.023 10.243 2.531 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.967 10.333 3.928 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.151 8.456 4.991 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.155 8.249 3.569 1.00 0.27 H new ATOM 795 N GLN A 58 13.050 8.520 0.869 1.00 0.16 N ATOM 796 CA GLN A 58 12.004 8.926 -0.024 1.00 0.18 C ATOM 797 C GLN A 58 10.876 7.933 0.027 1.00 0.17 C ATOM 798 O GLN A 58 11.091 6.728 0.164 1.00 0.19 O ATOM 799 CB GLN A 58 12.508 9.031 -1.431 1.00 0.20 C ATOM 800 CG GLN A 58 12.450 10.429 -1.956 1.00 0.28 C ATOM 801 CD GLN A 58 11.054 11.017 -1.949 1.00 0.70 C ATOM 802 OE1 GLN A 58 10.292 10.841 -2.898 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.714 11.738 -0.891 1.00 1.48 N ATOM 0 H GLN A 58 13.380 7.569 0.704 1.00 0.16 H new ATOM 0 HA GLN A 58 11.650 9.907 0.293 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.537 8.673 -1.473 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.917 8.380 -2.075 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.106 11.061 -1.357 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.837 10.443 -2.975 1.00 0.28 H new ATOM 0 HE21 GLN A 58 11.375 11.861 -0.124 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.791 12.171 -0.844 1.00 1.48 H new ATOM 812 N ARG A 59 9.683 8.451 -0.058 1.00 0.16 N ATOM 813 CA ARG A 59 8.494 7.622 -0.090 1.00 0.17 C ATOM 814 C ARG A 59 8.249 7.088 -1.491 1.00 0.17 C ATOM 815 O ARG A 59 8.219 7.845 -2.462 1.00 0.22 O ATOM 816 CB ARG A 59 7.267 8.398 0.369 1.00 0.24 C ATOM 817 CG ARG A 59 7.060 8.415 1.871 1.00 0.30 C ATOM 818 CD ARG A 59 8.198 9.090 2.596 1.00 0.44 C ATOM 819 NE ARG A 59 8.343 10.491 2.210 1.00 1.37 N ATOM 820 CZ ARG A 59 9.389 11.251 2.525 1.00 1.72 C ATOM 821 NH1 ARG A 59 10.368 10.765 3.281 1.00 1.51 N ATOM 822 NH2 ARG A 59 9.450 12.500 2.091 1.00 2.72 N ATOM 0 H ARG A 59 9.499 9.453 -0.107 1.00 0.16 H new ATOM 0 HA ARG A 59 8.662 6.789 0.593 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.349 9.425 0.014 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.383 7.968 -0.102 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.128 8.931 2.102 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.957 7.392 2.233 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.030 9.026 3.671 1.00 0.44 H new ATOM 0 HD3 ARG A 59 9.126 8.559 2.386 1.00 0.44 H new ATOM 0 HE ARG A 59 7.593 10.915 1.663 1.00 1.37 H new ATOM 0 HH11 ARG A 59 10.320 9.805 3.623 1.00 1.51 H new ATOM 0 HH12 ARG A 59 11.167 11.352 3.519 1.00 1.51 H new ATOM 0 HH21 ARG A 59 8.696 12.878 1.517 1.00 2.72 H new ATOM 0 HH22 ARG A 59 10.251 13.085 2.331 1.00 2.72 H new ATOM 836 N VAL A 60 8.083 5.786 -1.582 1.00 0.13 N ATOM 837 CA VAL A 60 7.782 5.120 -2.830 1.00 0.14 C ATOM 838 C VAL A 60 6.491 4.347 -2.677 1.00 0.13 C ATOM 839 O VAL A 60 6.450 3.335 -1.990 1.00 0.12 O ATOM 840 CB VAL A 60 8.930 4.158 -3.210 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.533 3.248 -4.363 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.162 4.962 -3.572 1.00 0.15 C ATOM 0 H VAL A 60 8.154 5.155 -0.784 1.00 0.13 H new ATOM 0 HA VAL A 60 7.675 5.862 -3.621 1.00 0.14 H new ATOM 0 HB VAL A 60 9.148 3.523 -2.351 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.363 2.584 -4.605 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.665 2.654 -4.076 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.286 3.853 -5.235 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.973 4.285 -3.840 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.937 5.612 -4.418 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.464 5.569 -2.719 1.00 0.15 H new ATOM 852 N THR A 61 5.435 4.796 -3.321 1.00 0.15 N ATOM 853 CA THR A 61 4.162 4.151 -3.128 1.00 0.15 C ATOM 854 C THR A 61 3.977 3.022 -4.115 1.00 0.16 C ATOM 855 O THR A 61 4.143 3.188 -5.327 1.00 0.19 O ATOM 856 CB THR A 61 2.983 5.123 -3.191 1.00 0.17 C ATOM 857 OG1 THR A 61 3.377 6.411 -2.696 1.00 0.19 O ATOM 858 CG2 THR A 61 1.857 4.571 -2.351 1.00 0.19 C ATOM 0 H THR A 61 5.433 5.586 -3.967 1.00 0.15 H new ATOM 0 HA THR A 61 4.173 3.741 -2.118 1.00 0.15 H new ATOM 0 HB THR A 61 2.655 5.237 -4.224 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.616 7.026 -2.742 1.00 0.19 H new ATOM 0 HG21 THR A 61 1.008 5.254 -2.386 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.556 3.598 -2.740 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.192 4.462 -1.320 1.00 0.19 H new ATOM 866 N VAL A 62 3.640 1.870 -3.576 1.00 0.15 N ATOM 867 CA VAL A 62 3.665 0.645 -4.324 1.00 0.15 C ATOM 868 C VAL A 62 2.317 -0.059 -4.316 1.00 0.15 C ATOM 869 O VAL A 62 1.638 -0.111 -3.289 1.00 0.16 O ATOM 870 CB VAL A 62 4.780 -0.272 -3.763 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.514 -1.750 -4.025 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.126 0.155 -4.334 1.00 0.16 C ATOM 0 H VAL A 62 3.342 1.763 -2.606 1.00 0.15 H new ATOM 0 HA VAL A 62 3.881 0.881 -5.366 1.00 0.15 H new ATOM 0 HB VAL A 62 4.793 -0.156 -2.679 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.327 -2.345 -3.610 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.575 -2.040 -3.553 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.449 -1.923 -5.099 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.910 -0.491 -3.939 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.102 0.074 -5.421 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.330 1.188 -4.052 1.00 0.16 H new ATOM 882 N GLY A 63 1.935 -0.577 -5.480 1.00 0.18 N ATOM 883 CA GLY A 63 0.711 -1.333 -5.598 1.00 0.21 C ATOM 884 C GLY A 63 -0.502 -0.439 -5.717 1.00 0.20 C ATOM 885 O GLY A 63 -1.241 -0.264 -4.754 1.00 0.28 O ATOM 0 H GLY A 63 2.461 -0.482 -6.349 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.769 -1.982 -6.472 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.600 -1.980 -4.728 1.00 0.21 H new ATOM 889 N ASN A 64 -0.702 0.130 -6.897 1.00 0.33 N ATOM 890 CA ASN A 64 -1.829 1.016 -7.128 1.00 0.40 C ATOM 891 C ASN A 64 -3.047 0.208 -7.532 1.00 0.37 C ATOM 892 O ASN A 64 -3.116 -0.326 -8.643 1.00 0.52 O ATOM 893 CB ASN A 64 -1.513 2.047 -8.218 1.00 0.67 C ATOM 894 CG ASN A 64 -0.475 3.069 -7.797 1.00 1.31 C ATOM 895 OD1 ASN A 64 0.427 2.781 -7.010 1.00 2.17 O ATOM 896 ND2 ASN A 64 -0.593 4.276 -8.327 1.00 1.98 N ATOM 0 H ASN A 64 -0.098 -0.007 -7.707 1.00 0.33 H new ATOM 0 HA ASN A 64 -2.032 1.550 -6.200 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -1.160 1.527 -9.108 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -2.431 2.565 -8.495 1.00 0.67 H new ATOM 0 HD21 ASN A 64 0.077 5.006 -8.087 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -1.354 4.476 -8.976 1.00 1.98 H new ATOM 903 N VAL A 65 -3.998 0.123 -6.629 1.00 0.25 N ATOM 904 CA VAL A 65 -5.231 -0.608 -6.867 1.00 0.33 C ATOM 905 C VAL A 65 -6.427 0.315 -6.693 1.00 0.27 C ATOM 906 O VAL A 65 -6.631 0.867 -5.618 1.00 0.35 O ATOM 907 CB VAL A 65 -5.360 -1.798 -5.902 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.544 -2.675 -6.276 1.00 1.29 C ATOM 909 CG2 VAL A 65 -4.070 -2.601 -5.874 1.00 1.10 C ATOM 0 H VAL A 65 -3.942 0.557 -5.708 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.206 -0.987 -7.889 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.540 -1.410 -4.900 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.613 -3.510 -5.578 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.461 -2.087 -6.231 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.408 -3.058 -7.287 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -4.178 -3.440 -5.186 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.854 -2.977 -6.874 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -3.251 -1.963 -5.542 1.00 1.10 H new ATOM 919 N VAL A 66 -7.211 0.493 -7.743 1.00 0.25 N ATOM 920 CA VAL A 66 -8.323 1.430 -7.692 1.00 0.23 C ATOM 921 C VAL A 66 -9.643 0.714 -7.435 1.00 0.24 C ATOM 922 O VAL A 66 -10.084 -0.120 -8.226 1.00 0.27 O ATOM 923 CB VAL A 66 -8.428 2.269 -8.980 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.543 3.296 -8.855 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.103 2.955 -9.279 1.00 0.29 C ATOM 0 H VAL A 66 -7.101 0.007 -8.633 1.00 0.25 H new ATOM 0 HA VAL A 66 -8.121 2.105 -6.860 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.664 1.601 -9.809 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.604 3.880 -9.773 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.491 2.785 -8.686 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.334 3.959 -8.016 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.196 3.543 -10.192 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.838 3.611 -8.450 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.325 2.203 -9.409 1.00 0.29 H new ATOM 935 N LEU A 67 -10.255 1.052 -6.314 1.00 0.22 N ATOM 936 CA LEU A 67 -11.534 0.494 -5.909 1.00 0.23 C ATOM 937 C LEU A 67 -12.609 1.562 -6.074 1.00 0.24 C ATOM 938 O LEU A 67 -12.292 2.727 -6.313 1.00 0.26 O ATOM 939 CB LEU A 67 -11.514 0.068 -4.437 1.00 0.21 C ATOM 940 CG LEU A 67 -10.308 -0.740 -3.932 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.992 -1.902 -4.862 1.00 0.25 C ATOM 942 CD2 LEU A 67 -9.080 0.142 -3.719 1.00 0.18 C ATOM 0 H LEU A 67 -9.875 1.728 -5.652 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.737 -0.379 -6.529 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.590 0.969 -3.828 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.412 -0.520 -4.248 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.584 -1.152 -2.961 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.134 -2.453 -4.477 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.854 -2.566 -4.920 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.761 -1.520 -5.856 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.251 -0.469 -3.362 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.803 0.614 -4.662 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.308 0.911 -2.981 1.00 0.18 H new ATOM 954 N ASP A 68 -13.874 1.183 -5.966 1.00 0.26 N ATOM 955 CA ASP A 68 -14.933 2.180 -5.858 1.00 0.28 C ATOM 956 C ASP A 68 -14.908 2.754 -4.440 1.00 0.28 C ATOM 957 O ASP A 68 -14.731 2.018 -3.471 1.00 0.30 O ATOM 958 CB ASP A 68 -16.310 1.598 -6.213 1.00 0.32 C ATOM 959 CG ASP A 68 -16.953 0.795 -5.100 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.615 -0.396 -4.955 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.768 1.359 -4.343 1.00 1.25 O ATOM 0 H ASP A 68 -14.190 0.213 -5.951 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.755 2.977 -6.579 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.977 2.415 -6.488 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -16.207 0.961 -7.092 1.00 0.32 H new ATOM 966 N TYR A 69 -15.045 4.062 -4.317 1.00 0.28 N ATOM 967 CA TYR A 69 -14.813 4.726 -3.036 1.00 0.27 C ATOM 968 C TYR A 69 -16.007 4.646 -2.102 1.00 0.27 C ATOM 969 O TYR A 69 -17.119 5.049 -2.450 1.00 0.30 O ATOM 970 CB TYR A 69 -14.436 6.191 -3.242 1.00 0.29 C ATOM 971 CG TYR A 69 -14.640 7.031 -2.008 1.00 0.28 C ATOM 972 CD1 TYR A 69 -13.978 6.729 -0.826 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.504 8.117 -2.022 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.183 7.486 0.318 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.709 8.876 -0.892 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.050 8.554 0.273 1.00 0.30 C ATOM 977 OH TYR A 69 -15.273 9.292 1.402 1.00 0.33 O ATOM 0 H TYR A 69 -15.313 4.686 -5.078 1.00 0.28 H new ATOM 0 HA TYR A 69 -13.987 4.191 -2.567 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.392 6.252 -3.548 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -15.031 6.602 -4.057 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.294 5.894 -0.797 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.024 8.371 -2.934 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.668 7.240 1.235 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.383 9.719 -0.919 1.00 0.32 H new ATOM 0 HH TYR A 69 -15.909 10.010 1.203 1.00 0.33 H new ATOM 987 N SER A 70 -15.764 4.117 -0.912 1.00 0.25 N ATOM 988 CA SER A 70 -16.708 4.232 0.184 1.00 0.27 C ATOM 989 C SER A 70 -15.943 4.373 1.500 1.00 0.29 C ATOM 990 O SER A 70 -15.146 3.504 1.852 1.00 0.28 O ATOM 991 CB SER A 70 -17.664 3.036 0.213 1.00 0.30 C ATOM 992 OG SER A 70 -17.292 2.062 -0.752 1.00 0.99 O ATOM 0 H SER A 70 -14.915 3.601 -0.682 1.00 0.25 H new ATOM 0 HA SER A 70 -17.319 5.123 0.040 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.661 2.588 1.207 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.682 3.375 0.019 1.00 0.30 H new ATOM 0 HG SER A 70 -18.091 1.586 -1.061 1.00 0.99 H new ATOM 998 N SER A 71 -16.168 5.480 2.200 1.00 0.36 N ATOM 999 CA SER A 71 -15.517 5.749 3.484 1.00 0.42 C ATOM 1000 C SER A 71 -15.891 4.695 4.524 1.00 0.43 C ATOM 1001 O SER A 71 -15.183 4.502 5.512 1.00 0.50 O ATOM 1002 CB SER A 71 -15.923 7.128 3.971 1.00 0.50 C ATOM 1003 OG SER A 71 -17.330 7.303 3.909 1.00 0.54 O ATOM 0 H SER A 71 -16.805 6.217 1.897 1.00 0.36 H new ATOM 0 HA SER A 71 -14.437 5.710 3.343 1.00 0.42 H new ATOM 0 HB2 SER A 71 -15.582 7.269 4.997 1.00 0.50 H new ATOM 0 HB3 SER A 71 -15.433 7.889 3.364 1.00 0.50 H new ATOM 0 HG SER A 71 -17.563 8.199 4.230 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.014 4.022 4.295 1.00 0.39 N ATOM 1010 CA ALA A 72 -17.488 2.985 5.198 1.00 0.43 C ATOM 1011 C ALA A 72 -17.149 1.591 4.679 1.00 0.40 C ATOM 1012 O ALA A 72 -17.493 0.587 5.304 1.00 0.50 O ATOM 1013 CB ALA A 72 -18.984 3.119 5.403 1.00 0.47 C ATOM 0 H ALA A 72 -17.615 4.179 3.486 1.00 0.39 H new ATOM 0 HA ALA A 72 -16.980 3.115 6.154 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.330 2.338 6.081 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -19.206 4.096 5.832 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -19.493 3.019 4.444 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.475 1.529 3.538 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.094 0.250 2.949 1.00 0.30 C ATOM 1021 C ASN A 73 -14.855 -0.273 3.643 1.00 0.33 C ATOM 1022 O ASN A 73 -14.064 0.506 4.180 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.796 0.396 1.461 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.236 -0.818 0.666 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -15.488 -1.781 0.506 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -17.452 -0.774 0.152 1.00 0.95 N ATOM 0 H ASN A 73 -16.181 2.346 3.003 1.00 0.32 H new ATOM 0 HA ASN A 73 -16.926 -0.443 3.075 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.301 1.282 1.077 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.726 0.552 1.320 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.801 -1.557 -0.400 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -18.042 0.043 0.308 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.673 -1.578 3.646 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.476 -2.142 4.226 1.00 0.35 C ATOM 1035 C ARG A 74 -12.430 -2.320 3.139 1.00 0.27 C ATOM 1036 O ARG A 74 -12.551 -3.183 2.273 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.789 -3.476 4.902 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.844 -3.373 5.996 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.412 -2.455 7.134 1.00 1.02 C ATOM 1040 NE ARG A 74 -13.307 -3.016 7.909 1.00 1.49 N ATOM 1041 CZ ARG A 74 -12.803 -2.453 9.009 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.297 -1.307 9.465 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -11.806 -3.046 9.654 1.00 2.50 N ATOM 0 H ARG A 74 -15.329 -2.257 3.259 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.087 -1.465 4.987 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.128 -4.185 4.147 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.872 -3.881 5.330 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.774 -3.002 5.566 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -15.051 -4.367 6.393 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -14.113 -1.489 6.726 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -15.260 -2.273 7.794 1.00 1.02 H new ATOM 0 HE ARG A 74 -12.895 -3.893 7.589 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -14.066 -0.852 8.974 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -12.907 -0.882 10.306 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -11.428 -3.928 9.308 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -11.418 -2.619 10.495 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.423 -1.473 3.181 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.273 -1.598 2.315 1.00 0.14 C ATOM 1059 C TYR A 75 -9.028 -1.624 3.160 1.00 0.13 C ATOM 1060 O TYR A 75 -8.751 -0.685 3.899 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.193 -0.444 1.326 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.332 -0.403 0.352 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.603 -1.496 -0.446 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.129 0.725 0.225 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.643 -1.475 -1.345 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.174 0.756 -0.673 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.426 -0.348 -1.457 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.467 -0.329 -2.352 1.00 0.35 O ATOM 0 H TYR A 75 -11.380 -0.678 3.818 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.367 -2.522 1.744 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.166 0.495 1.879 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.256 -0.516 0.773 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -10.989 -2.381 -0.363 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.928 1.591 0.838 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.845 -2.339 -1.961 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.790 1.639 -0.761 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.683 0.599 -2.583 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.309 -2.707 3.071 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.081 -2.872 3.809 1.00 0.13 C ATOM 1080 C ALA A 76 -5.973 -3.242 2.862 1.00 0.12 C ATOM 1081 O ALA A 76 -6.215 -3.544 1.703 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.219 -3.919 4.891 1.00 0.16 C ATOM 0 H ALA A 76 -8.555 -3.504 2.484 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.845 -1.927 4.297 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.274 -4.016 5.426 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.002 -3.621 5.588 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.480 -4.876 4.440 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.761 -3.197 3.345 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.619 -3.473 2.518 1.00 0.13 C ATOM 1090 C ALA A 77 -2.557 -4.163 3.330 1.00 0.14 C ATOM 1091 O ALA A 77 -2.608 -4.148 4.548 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.093 -2.185 1.917 1.00 0.12 C ATOM 0 H ALA A 77 -4.539 -2.970 4.314 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.912 -4.135 1.703 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.227 -2.402 1.291 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.872 -1.722 1.311 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.801 -1.503 2.716 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.629 -4.789 2.650 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.494 -5.416 3.289 1.00 0.16 C ATOM 1100 C ARG A 78 0.680 -5.426 2.334 1.00 0.14 C ATOM 1101 O ARG A 78 0.615 -6.029 1.262 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.804 -6.837 3.748 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.415 -7.697 2.677 1.00 0.56 C ATOM 1104 CD ARG A 78 -2.917 -7.555 2.696 1.00 1.56 C ATOM 1105 NE ARG A 78 -3.595 -8.660 2.018 1.00 2.06 N ATOM 1106 CZ ARG A 78 -4.717 -9.228 2.454 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -5.256 -8.849 3.606 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -5.294 -10.187 1.744 1.00 3.35 N ATOM 0 H ARG A 78 -1.638 -4.880 1.634 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.249 -4.835 4.178 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.116 -7.306 4.097 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.483 -6.795 4.599 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.026 -7.407 1.701 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.138 -8.739 2.834 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -3.260 -7.502 3.729 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -3.196 -6.615 2.219 1.00 1.56 H new ATOM 0 HE ARG A 78 -3.182 -9.018 1.157 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -4.810 -8.119 4.162 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -6.116 -9.288 3.935 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -4.878 -10.490 0.863 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -6.154 -10.622 2.078 1.00 3.35 H new ATOM 1122 N LEU A 79 1.743 -4.744 2.694 1.00 0.17 N ATOM 1123 CA LEU A 79 2.898 -4.708 1.834 1.00 0.15 C ATOM 1124 C LEU A 79 4.065 -5.402 2.494 1.00 0.15 C ATOM 1125 O LEU A 79 4.545 -4.984 3.543 1.00 0.22 O ATOM 1126 CB LEU A 79 3.280 -3.280 1.459 1.00 0.16 C ATOM 1127 CG LEU A 79 3.904 -3.132 0.066 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.145 -1.672 -0.261 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.191 -3.945 -0.049 1.00 0.16 C ATOM 0 H LEU A 79 1.830 -4.216 3.562 1.00 0.17 H new ATOM 0 HA LEU A 79 2.640 -5.234 0.915 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.390 -2.654 1.512 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.983 -2.899 2.200 1.00 0.16 H new ATOM 0 HG LEU A 79 3.199 -3.528 -0.665 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.588 -1.590 -1.253 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.198 -1.133 -0.241 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.823 -1.241 0.476 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.612 -3.821 -1.047 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.909 -3.596 0.693 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.972 -4.999 0.125 1.00 0.16 H new ATOM 1141 N ASP A 80 4.505 -6.465 1.864 1.00 0.12 N ATOM 1142 CA ASP A 80 5.691 -7.167 2.282 1.00 0.12 C ATOM 1143 C ASP A 80 6.878 -6.636 1.498 1.00 0.11 C ATOM 1144 O ASP A 80 6.918 -6.748 0.283 1.00 0.15 O ATOM 1145 CB ASP A 80 5.536 -8.669 2.043 1.00 0.15 C ATOM 1146 CG ASP A 80 4.515 -9.330 2.948 1.00 1.16 C ATOM 1147 OD1 ASP A 80 3.311 -9.285 2.621 1.00 2.22 O ATOM 1148 OD2 ASP A 80 4.909 -9.863 4.010 1.00 1.06 O ATOM 0 H ASP A 80 4.048 -6.867 1.045 1.00 0.12 H new ATOM 0 HA ASP A 80 5.850 -7.006 3.348 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.249 -8.835 1.005 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.502 -9.152 2.187 1.00 0.15 H new ATOM 1153 N VAL A 81 7.824 -6.016 2.159 1.00 0.09 N ATOM 1154 CA VAL A 81 9.014 -5.579 1.460 1.00 0.10 C ATOM 1155 C VAL A 81 10.154 -6.528 1.771 1.00 0.12 C ATOM 1156 O VAL A 81 10.689 -6.526 2.875 1.00 0.13 O ATOM 1157 CB VAL A 81 9.425 -4.143 1.825 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.509 -3.659 0.888 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.231 -3.201 1.798 1.00 0.09 C ATOM 0 H VAL A 81 7.800 -5.805 3.157 1.00 0.09 H new ATOM 0 HA VAL A 81 8.787 -5.586 0.394 1.00 0.10 H new ATOM 0 HB VAL A 81 9.815 -4.149 2.843 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.793 -2.641 1.155 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.378 -4.311 0.969 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.138 -3.675 -0.137 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.556 -2.194 2.061 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.796 -3.193 0.798 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.484 -3.540 2.516 1.00 0.09 H new ATOM 1169 N SER A 82 10.501 -7.343 0.798 1.00 0.14 N ATOM 1170 CA SER A 82 11.590 -8.285 0.931 1.00 0.17 C ATOM 1171 C SER A 82 12.633 -8.025 -0.152 1.00 0.20 C ATOM 1172 O SER A 82 12.436 -8.359 -1.325 1.00 0.25 O ATOM 1173 CB SER A 82 11.060 -9.717 0.841 1.00 0.21 C ATOM 1174 OG SER A 82 10.084 -9.843 -0.180 1.00 0.82 O ATOM 0 H SER A 82 10.035 -7.371 -0.109 1.00 0.14 H new ATOM 0 HA SER A 82 12.061 -8.156 1.905 1.00 0.17 H new ATOM 0 HB2 SER A 82 11.886 -10.401 0.644 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.627 -10.008 1.798 1.00 0.21 H new ATOM 0 HG SER A 82 10.346 -9.298 -0.952 1.00 0.82 H new ATOM 1180 N PHE A 83 13.729 -7.409 0.242 1.00 0.21 N ATOM 1181 CA PHE A 83 14.770 -7.028 -0.692 1.00 0.24 C ATOM 1182 C PHE A 83 16.138 -7.208 -0.050 1.00 0.24 C ATOM 1183 O PHE A 83 16.631 -6.322 0.651 1.00 0.23 O ATOM 1184 CB PHE A 83 14.569 -5.575 -1.140 1.00 0.26 C ATOM 1185 CG PHE A 83 15.654 -5.057 -2.037 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.030 -5.754 -3.173 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.303 -3.873 -1.737 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.032 -5.277 -3.992 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.306 -3.391 -2.551 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.671 -4.094 -3.682 1.00 0.34 C ATOM 0 H PHE A 83 13.923 -7.160 1.212 1.00 0.21 H new ATOM 0 HA PHE A 83 14.714 -7.671 -1.571 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.614 -5.494 -1.659 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.507 -4.939 -0.257 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.533 -6.681 -3.420 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.021 -3.319 -0.854 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.316 -5.829 -4.876 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.805 -2.466 -2.305 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.455 -3.719 -4.323 1.00 0.34 H new ATOM 1200 N GLY A 84 16.731 -8.369 -0.276 1.00 0.30 N ATOM 1201 CA GLY A 84 18.034 -8.656 0.279 1.00 0.34 C ATOM 1202 C GLY A 84 18.013 -8.715 1.790 1.00 0.34 C ATOM 1203 O GLY A 84 17.530 -9.686 2.376 1.00 0.41 O ATOM 0 H GLY A 84 16.330 -9.121 -0.837 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.393 -9.607 -0.115 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.740 -7.891 -0.043 1.00 0.34 H new ATOM 1207 N SER A 85 18.505 -7.661 2.420 1.00 0.32 N ATOM 1208 CA SER A 85 18.621 -7.617 3.865 1.00 0.36 C ATOM 1209 C SER A 85 17.334 -7.135 4.530 1.00 0.31 C ATOM 1210 O SER A 85 17.166 -7.263 5.745 1.00 0.35 O ATOM 1211 CB SER A 85 19.778 -6.715 4.245 1.00 0.43 C ATOM 1212 OG SER A 85 19.672 -5.452 3.607 1.00 0.42 O ATOM 0 H SER A 85 18.832 -6.819 1.947 1.00 0.32 H new ATOM 0 HA SER A 85 18.805 -8.630 4.222 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.797 -6.579 5.326 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.719 -7.189 3.966 1.00 0.43 H new ATOM 0 HG SER A 85 19.773 -4.740 4.273 1.00 0.42 H new ATOM 1218 N VAL A 86 16.422 -6.581 3.748 1.00 0.24 N ATOM 1219 CA VAL A 86 15.172 -6.091 4.303 1.00 0.20 C ATOM 1220 C VAL A 86 14.034 -7.076 4.070 1.00 0.17 C ATOM 1221 O VAL A 86 13.903 -7.653 2.990 1.00 0.18 O ATOM 1222 CB VAL A 86 14.774 -4.704 3.733 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.407 -4.783 2.259 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.630 -4.106 4.534 1.00 0.19 C ATOM 0 H VAL A 86 16.521 -6.460 2.740 1.00 0.24 H new ATOM 0 HA VAL A 86 15.342 -5.984 5.374 1.00 0.20 H new ATOM 0 HB VAL A 86 15.644 -4.053 3.821 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.134 -3.791 1.898 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.260 -5.154 1.691 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.563 -5.461 2.130 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.365 -3.133 4.119 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.766 -4.769 4.485 1.00 0.19 H new ATOM 0 HG23 VAL A 86 13.937 -3.986 5.573 1.00 0.19 H new ATOM 1234 N THR A 87 13.247 -7.302 5.106 1.00 0.17 N ATOM 1235 CA THR A 87 11.980 -7.990 4.967 1.00 0.17 C ATOM 1236 C THR A 87 11.018 -7.472 6.029 1.00 0.15 C ATOM 1237 O THR A 87 11.249 -7.633 7.228 1.00 0.18 O ATOM 1238 CB THR A 87 12.127 -9.517 5.101 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.194 -9.990 4.264 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.832 -10.195 4.695 1.00 0.23 C ATOM 0 H THR A 87 13.467 -7.016 6.060 1.00 0.17 H new ATOM 0 HA THR A 87 11.595 -7.789 3.967 1.00 0.17 H new ATOM 0 HB THR A 87 12.355 -9.756 6.140 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.278 -10.962 4.359 1.00 0.25 H new ATOM 0 HG21 THR A 87 10.941 -11.275 4.792 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.024 -9.853 5.341 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.599 -9.945 3.660 1.00 0.23 H new ATOM 1248 N ILE A 88 9.938 -6.860 5.574 1.00 0.12 N ATOM 1249 CA ILE A 88 8.995 -6.167 6.450 1.00 0.11 C ATOM 1250 C ILE A 88 7.590 -6.283 5.894 1.00 0.10 C ATOM 1251 O ILE A 88 7.411 -6.731 4.762 1.00 0.11 O ATOM 1252 CB ILE A 88 9.325 -4.680 6.592 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.094 -3.982 5.267 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.757 -4.485 7.062 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.445 -2.520 5.291 1.00 0.09 C ATOM 0 H ILE A 88 9.686 -6.827 4.586 1.00 0.12 H new ATOM 0 HA ILE A 88 9.069 -6.640 7.429 1.00 0.11 H new ATOM 0 HB ILE A 88 8.669 -4.242 7.344 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.685 -4.477 4.497 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.047 -4.092 4.985 1.00 0.09 H new ATOM 0 HG21 ILE A 88 10.967 -3.420 7.155 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.891 -4.967 8.030 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.441 -4.928 6.338 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.255 -2.084 4.310 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.836 -2.012 6.038 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.499 -2.403 5.542 1.00 0.09 H new ATOM 1267 N GLN A 89 6.601 -5.918 6.687 1.00 0.11 N ATOM 1268 CA GLN A 89 5.225 -5.905 6.220 1.00 0.14 C ATOM 1269 C GLN A 89 4.409 -4.850 6.974 1.00 0.14 C ATOM 1270 O GLN A 89 4.670 -4.569 8.142 1.00 0.20 O ATOM 1271 CB GLN A 89 4.581 -7.284 6.395 1.00 0.22 C ATOM 1272 CG GLN A 89 4.520 -7.753 7.842 1.00 0.68 C ATOM 1273 CD GLN A 89 3.895 -9.125 7.984 1.00 1.04 C ATOM 1274 OE1 GLN A 89 4.586 -10.142 7.938 1.00 1.53 O ATOM 1275 NE2 GLN A 89 2.585 -9.166 8.150 1.00 1.88 N ATOM 0 H GLN A 89 6.723 -5.627 7.657 1.00 0.11 H new ATOM 0 HA GLN A 89 5.232 -5.653 5.160 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.570 -7.257 5.988 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.141 -8.013 5.809 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.528 -7.772 8.256 1.00 0.68 H new ATOM 0 HG3 GLN A 89 3.948 -7.035 8.429 1.00 0.68 H new ATOM 0 HE21 GLN A 89 2.048 -8.300 8.183 1.00 1.88 H new ATOM 0 HE22 GLN A 89 2.111 -10.064 8.245 1.00 1.88 H new ATOM 1284 N CYS A 90 3.438 -4.269 6.295 1.00 0.20 N ATOM 1285 CA CYS A 90 2.523 -3.305 6.904 1.00 0.21 C ATOM 1286 C CYS A 90 1.110 -3.578 6.431 1.00 0.23 C ATOM 1287 O CYS A 90 0.922 -4.192 5.387 1.00 0.31 O ATOM 1288 CB CYS A 90 2.932 -1.881 6.541 1.00 0.22 C ATOM 1289 SG CYS A 90 3.688 -1.747 4.892 1.00 0.97 S ATOM 0 H CYS A 90 3.256 -4.447 5.307 1.00 0.20 H new ATOM 0 HA CYS A 90 2.566 -3.410 7.988 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.054 -1.236 6.584 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.636 -1.511 7.287 1.00 0.22 H new ATOM 1294 N ASN A 91 0.122 -3.121 7.184 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.271 -3.400 6.847 1.00 0.18 C ATOM 1296 C ASN A 91 -2.152 -2.170 7.045 1.00 0.16 C ATOM 1297 O ASN A 91 -2.070 -1.484 8.065 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.806 -4.586 7.666 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.813 -4.340 9.163 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -2.798 -3.860 9.723 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -0.718 -4.675 9.824 1.00 1.82 N ATOM 0 H ASN A 91 0.253 -2.560 8.026 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.305 -3.667 5.791 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.821 -4.813 7.339 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.198 -5.466 7.454 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -0.670 -4.538 10.834 1.00 1.82 H new ATOM 0 HD22 ASN A 91 0.078 -5.070 9.324 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.983 -1.888 6.042 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.845 -0.710 6.060 1.00 0.13 C ATOM 1310 C LEU A 92 -5.027 -0.896 7.008 1.00 0.14 C ATOM 1311 O LEU A 92 -5.620 -1.975 7.077 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.363 -0.362 4.653 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.655 0.470 4.609 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.453 1.862 5.192 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.160 0.589 3.193 1.00 0.12 C ATOM 0 H LEU A 92 -3.076 -2.463 5.204 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.233 0.117 6.419 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.582 0.183 4.122 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.531 -1.290 4.107 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.392 -0.052 5.218 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.390 2.417 5.142 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -5.136 1.779 6.232 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.688 2.388 4.621 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.075 1.181 3.182 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.404 1.077 2.577 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.366 -0.405 2.795 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.346 0.160 7.742 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.561 0.213 8.542 1.00 0.19 C ATOM 1329 C ASP A 93 -7.702 0.763 7.693 1.00 0.17 C ATOM 1330 O ASP A 93 -7.692 1.933 7.333 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.352 1.108 9.758 1.00 0.26 C ATOM 1332 CG ASP A 93 -7.531 1.074 10.709 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -7.712 0.051 11.406 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -8.284 2.064 10.768 1.00 2.13 O ATOM 0 H ASP A 93 -4.772 1.001 7.800 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.808 -0.793 8.882 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.453 0.793 10.287 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -6.185 2.133 9.427 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.693 -0.072 7.341 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.796 0.331 6.453 1.00 0.19 C ATOM 1341 C PRO A 94 -10.546 1.563 6.947 1.00 0.23 C ATOM 1342 O PRO A 94 -11.160 2.289 6.167 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.731 -0.877 6.466 1.00 0.24 C ATOM 1344 CG PRO A 94 -9.876 -2.029 6.849 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.811 -1.480 7.759 1.00 0.21 C ATOM 0 HA PRO A 94 -9.422 0.602 5.466 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.545 -0.737 7.178 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -11.186 -1.033 5.488 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.462 -2.797 7.355 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -9.433 -2.494 5.968 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -9.096 -1.565 8.808 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -7.868 -2.014 7.641 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.488 1.788 8.246 1.00 0.26 N ATOM 1354 CA GLU A 95 -11.140 2.904 8.882 1.00 0.34 C ATOM 1355 C GLU A 95 -10.325 4.175 8.759 1.00 0.32 C ATOM 1356 O GLU A 95 -10.603 5.156 9.438 1.00 0.46 O ATOM 1357 CB GLU A 95 -11.417 2.554 10.321 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.731 1.854 10.522 1.00 0.69 C ATOM 1359 CD GLU A 95 -12.862 1.233 11.891 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -13.346 1.927 12.810 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -12.481 0.056 12.059 1.00 1.42 O ATOM 0 H GLU A 95 -9.977 1.188 8.894 1.00 0.26 H new ATOM 0 HA GLU A 95 -12.085 3.101 8.376 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -10.614 1.918 10.694 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -11.404 3.466 10.918 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -13.543 2.566 10.372 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -12.843 1.078 9.764 1.00 0.69 H new ATOM 1368 N THR A 96 -9.262 4.123 7.970 1.00 0.23 N ATOM 1369 CA THR A 96 -8.538 5.320 7.596 1.00 0.24 C ATOM 1370 C THR A 96 -9.009 5.833 6.228 1.00 0.23 C ATOM 1371 O THR A 96 -8.766 6.984 5.869 1.00 0.30 O ATOM 1372 CB THR A 96 -7.033 5.064 7.560 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.704 4.170 6.501 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.565 4.489 8.886 1.00 0.31 C ATOM 0 H THR A 96 -8.884 3.261 7.578 1.00 0.23 H new ATOM 0 HA THR A 96 -8.744 6.079 8.351 1.00 0.24 H new ATOM 0 HB THR A 96 -6.527 6.014 7.387 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.182 3.324 6.627 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.490 4.311 8.846 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.787 5.194 9.687 1.00 0.31 H new ATOM 0 HG23 THR A 96 -7.081 3.548 9.077 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.689 4.961 5.473 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.255 5.316 4.153 1.00 0.23 C ATOM 1384 C VAL A 97 -11.436 6.291 4.266 1.00 0.29 C ATOM 1385 O VAL A 97 -12.584 5.952 3.989 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.724 4.075 3.358 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.196 4.470 1.954 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -9.616 3.034 3.278 1.00 0.51 C ATOM 0 H VAL A 97 -9.865 3.996 5.751 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.438 5.799 3.618 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.569 3.636 3.889 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -11.521 3.580 1.415 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.028 5.170 2.033 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.375 4.942 1.414 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -9.968 2.170 2.714 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -8.748 3.464 2.778 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.337 2.722 4.284 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.146 7.490 4.715 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.077 8.600 4.623 1.00 0.38 C ATOM 1400 C LYS A 98 -11.392 9.758 3.929 1.00 0.40 C ATOM 1401 O LYS A 98 -10.837 10.647 4.583 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.617 9.060 5.989 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.431 8.022 6.766 1.00 0.71 C ATOM 1404 CD LYS A 98 -12.583 6.869 7.275 1.00 0.53 C ATOM 1405 CE LYS A 98 -11.357 7.379 7.997 1.00 1.34 C ATOM 1406 NZ LYS A 98 -11.691 8.084 9.263 1.00 2.40 N ATOM 0 H LYS A 98 -10.257 7.728 5.156 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.938 8.253 4.052 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.774 9.370 6.607 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.240 9.941 5.835 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -13.919 8.508 7.611 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.220 7.631 6.124 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -13.174 6.247 7.948 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -12.281 6.237 6.439 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -10.694 6.542 8.216 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -10.809 8.056 7.342 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -10.816 8.413 9.718 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -12.302 8.900 9.055 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -12.190 7.432 9.902 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.405 9.704 2.597 1.00 0.47 N ATOM 1421 CA LEU A 99 -10.913 10.790 1.751 1.00 0.58 C ATOM 1422 C LEU A 99 -9.384 10.830 1.689 1.00 0.73 C ATOM 1423 O LEU A 99 -8.801 10.726 0.609 1.00 1.33 O ATOM 1424 CB LEU A 99 -11.484 12.126 2.215 1.00 0.53 C ATOM 1425 CG LEU A 99 -12.950 12.394 1.842 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.172 12.219 0.348 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -13.886 11.487 2.625 1.00 0.76 C ATOM 0 H LEU A 99 -11.758 8.903 2.073 1.00 0.47 H new ATOM 0 HA LEU A 99 -11.260 10.598 0.736 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -11.389 12.183 3.299 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -10.871 12.926 1.799 1.00 0.53 H new ATOM 0 HG LEU A 99 -13.175 13.428 2.104 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -14.218 12.414 0.110 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -12.539 12.918 -0.198 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.919 11.199 0.060 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -14.917 11.697 2.342 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.654 10.445 2.403 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -13.759 11.667 3.692 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.738 10.977 2.832 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.282 10.984 2.889 1.00 1.25 C ATOM 1441 C GLU A 100 -6.784 10.008 3.941 1.00 2.09 C ATOM 1442 O GLU A 100 -7.570 9.487 4.733 1.00 2.87 O ATOM 1443 CB GLU A 100 -6.755 12.385 3.186 1.00 2.15 C ATOM 1444 CG GLU A 100 -6.931 13.352 2.032 1.00 2.70 C ATOM 1445 CD GLU A 100 -6.142 12.948 0.801 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -4.943 12.624 0.940 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -6.716 12.951 -0.310 1.00 4.13 O ATOM 0 H GLU A 100 -9.197 11.093 3.736 1.00 1.05 H new ATOM 0 HA GLU A 100 -6.907 10.673 1.914 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.268 12.780 4.063 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -5.697 12.321 3.438 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -7.988 13.416 1.775 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -6.619 14.348 2.347 1.00 2.70 H new ATOM 1454 N HIS A 101 -5.485 9.757 3.946 1.00 2.68 N ATOM 1455 CA HIS A 101 -4.884 8.875 4.932 1.00 3.89 C ATOM 1456 C HIS A 101 -4.168 9.699 5.994 1.00 4.59 C ATOM 1457 O HIS A 101 -4.753 9.912 7.078 1.00 5.06 O ATOM 1458 CB HIS A 101 -3.908 7.896 4.267 1.00 4.61 C ATOM 1459 CG HIS A 101 -3.280 6.930 5.228 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -1.917 6.812 5.402 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -3.843 6.036 6.075 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -1.672 5.891 6.316 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -2.822 5.407 6.739 1.00 6.64 N ATOM 0 H HIS A 101 -4.825 10.153 3.276 1.00 2.68 H new ATOM 0 HA HIS A 101 -5.675 8.293 5.405 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -4.437 7.336 3.495 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -3.122 8.462 3.768 1.00 4.61 H new ATOM 0 HD1 HIS A 101 -1.209 7.351 4.903 1.00 5.92 H new ATOM 0 HD2 HIS A 101 -4.900 5.853 6.203 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -0.694 5.586 6.659 1.00 6.69 H new TER 1472 HIS A 101