USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 689 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 27 THR OG1 : rot -88:sc= 0.252 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.0783 USER MOD Set 2.1: A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00044) USER MOD Set 2.2: A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 0 HIS : no HD1:sc= -0.034 X(o=-0.034,f=-0.034) USER MOD Single : A 1 HIS :FLIP no HD1:sc= -0.226 F(o=-0.77,f=-0.23) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0595 X(o=-0.06,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.65) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.074) USER MOD Single : A -2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -2 MET N :NH3+ -165:sc= -0.0264 (180deg=-0.249) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -101:sc= -0.284 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 23 SER OG : rot 75:sc= 0.0331 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.988 X(o=-0.99,f=-0.69) USER MOD Single : A 34 THR OG1 : rot 90:sc= -2.54! USER MOD Single : A 36 THR OG1 : rot 156:sc= 1.06 USER MOD Single : A 41 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 15:sc= 0.381 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.00063) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0077 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.57 USER MOD Single : A 56 TYR OH : rot 31:sc= -5.94! USER MOD Single : A 59 TYR OH : rot 180:sc= -2.88! USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0342) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.279 X(o=0.28,f=-0.02) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.00531 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0149 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -2 3.089 -22.735 -7.222 1.00 54.25 N ATOM 2 CA MET A -2 2.924 -22.445 -5.802 1.00 24.12 C ATOM 3 C MET A -2 3.043 -20.949 -5.535 1.00 52.04 C ATOM 4 O MET A -2 4.124 -20.447 -5.229 1.00 72.11 O ATOM 5 CB MET A -2 3.966 -23.207 -4.980 1.00 25.32 C ATOM 6 CG MET A -2 3.827 -24.718 -5.074 1.00 3.42 C ATOM 7 SD MET A -2 5.095 -25.591 -4.134 1.00 45.21 S ATOM 8 CE MET A -2 6.334 -25.854 -5.400 1.00 34.12 C ATOM 0 H1 MET A -2 2.758 -23.701 -7.420 1.00 54.25 H new ATOM 0 H2 MET A -2 2.533 -22.057 -7.782 1.00 54.25 H new ATOM 0 H3 MET A -2 4.094 -22.654 -7.478 1.00 54.25 H new ATOM 0 HA MET A -2 1.927 -22.770 -5.504 1.00 24.12 H new ATOM 0 HB2 MET A -2 4.962 -22.920 -5.316 1.00 25.32 H new ATOM 0 HB3 MET A -2 3.883 -22.907 -3.935 1.00 25.32 H new ATOM 0 HG2 MET A -2 2.843 -25.012 -4.709 1.00 3.42 H new ATOM 0 HG3 MET A -2 3.883 -25.020 -6.120 1.00 3.42 H new ATOM 0 HE1 MET A -2 7.184 -26.385 -4.972 1.00 34.12 H new ATOM 0 HE2 MET A -2 5.907 -26.446 -6.210 1.00 34.12 H new ATOM 0 HE3 MET A -2 6.666 -24.892 -5.790 1.00 34.12 H new ATOM 18 N GLY A -1 1.924 -20.239 -5.652 1.00 1.43 N ATOM 19 CA GLY A -1 1.927 -18.806 -5.420 1.00 13.04 C ATOM 20 C GLY A -1 0.760 -18.356 -4.564 1.00 33.14 C ATOM 21 O GLY A -1 -0.372 -18.269 -5.040 1.00 21.25 O ATOM 0 H GLY A -1 1.016 -20.631 -5.903 1.00 1.43 H new ATOM 0 HA2 GLY A -1 2.861 -18.521 -4.935 1.00 13.04 H new ATOM 0 HA3 GLY A -1 1.894 -18.286 -6.377 1.00 13.04 H new ATOM 25 N HIS A 0 1.036 -18.071 -3.295 1.00 34.31 N ATOM 26 CA HIS A 0 0.000 -17.628 -2.368 1.00 13.52 C ATOM 27 C HIS A 0 0.496 -16.465 -1.514 1.00 25.41 C ATOM 28 O HIS A 0 1.559 -16.542 -0.900 1.00 53.23 O ATOM 29 CB HIS A 0 -0.439 -18.785 -1.470 1.00 25.24 C ATOM 30 CG HIS A 0 -1.012 -19.945 -2.224 1.00 1.03 C ATOM 31 ND1 HIS A 0 -2.240 -19.904 -2.850 1.00 45.34 N ATOM 32 CD2 HIS A 0 -0.517 -21.184 -2.453 1.00 43.03 C ATOM 33 CE1 HIS A 0 -2.476 -21.067 -3.429 1.00 10.13 C ATOM 34 NE2 HIS A 0 -1.446 -21.862 -3.204 1.00 75.12 N ATOM 0 H HIS A 0 1.968 -18.139 -2.885 1.00 34.31 H new ATOM 0 HA HIS A 0 -0.855 -17.287 -2.953 1.00 13.52 H new ATOM 0 HB2 HIS A 0 0.417 -19.128 -0.888 1.00 25.24 H new ATOM 0 HB3 HIS A 0 -1.182 -18.421 -0.760 1.00 25.24 H new ATOM 0 HD2 HIS A 0 0.432 -21.568 -2.109 1.00 43.03 H new ATOM 0 HE1 HIS A 0 -3.361 -21.324 -3.991 1.00 10.13 H new ATOM 0 HE2 HIS A 0 -1.355 -22.823 -3.534 1.00 75.12 H new ATOM 42 N HIS A 1 -0.282 -15.388 -1.482 1.00 21.22 N ATOM 43 CA HIS A 1 0.077 -14.208 -0.703 1.00 52.03 C ATOM 44 C HIS A 1 -0.063 -14.479 0.791 1.00 62.11 C ATOM 45 O HIS A 1 -0.615 -15.503 1.198 1.00 54.41 O ATOM 46 CB HIS A 1 -0.798 -13.021 -1.103 1.00 31.50 C ATOM 47 CG HIS A 1 -2.266 -13.302 -1.013 1.00 2.14 C ATOM 48 ND1 HIS A 1 -3.027 -13.713 0.029 1.00 14.01 N flip ATOM 49 CD2 HIS A 1 -3.125 -13.169 -2.083 1.00 4.13 C flip ATOM 50 CE1 HIS A 1 -4.318 -13.819 -0.426 1.00 32.44 C flip ATOM 51 NE2 HIS A 1 -4.350 -13.484 -1.703 1.00 32.12 N flip ATOM 0 H HIS A 1 -1.165 -15.308 -1.986 1.00 21.22 H new ATOM 0 HA HIS A 1 1.119 -13.968 -0.914 1.00 52.03 H new ATOM 0 HB2 HIS A 1 -0.559 -12.172 -0.463 1.00 31.50 H new ATOM 0 HB3 HIS A 1 -0.554 -12.728 -2.124 1.00 31.50 H new ATOM 0 HD2 HIS A 1 -2.841 -12.856 -3.077 1.00 4.13 H new ATOM 0 HE1 HIS A 1 -5.169 -14.126 0.164 1.00 32.44 H new ATOM 0 HE2 HIS A 1 -5.180 -13.471 -2.295 1.00 32.12 H new ATOM 59 N HIS A 2 0.439 -13.557 1.606 1.00 33.54 N ATOM 60 CA HIS A 2 0.369 -13.697 3.056 1.00 24.03 C ATOM 61 C HIS A 2 -0.367 -12.516 3.681 1.00 63.52 C ATOM 62 O HIS A 2 0.235 -11.485 3.984 1.00 4.20 O ATOM 63 CB HIS A 2 1.775 -13.807 3.646 1.00 32.11 C ATOM 64 CG HIS A 2 2.411 -15.146 3.435 1.00 2.22 C ATOM 65 ND1 HIS A 2 1.996 -16.288 4.088 1.00 55.23 N ATOM 66 CD2 HIS A 2 3.436 -15.524 2.636 1.00 45.43 C ATOM 67 CE1 HIS A 2 2.739 -17.309 3.702 1.00 2.54 C ATOM 68 NE2 HIS A 2 3.621 -16.872 2.820 1.00 72.04 N ATOM 0 H HIS A 2 0.899 -12.704 1.287 1.00 33.54 H new ATOM 0 HA HIS A 2 -0.185 -14.608 3.283 1.00 24.03 H new ATOM 0 HB2 HIS A 2 2.408 -13.039 3.201 1.00 32.11 H new ATOM 0 HB3 HIS A 2 1.728 -13.601 4.715 1.00 32.11 H new ATOM 0 HD2 HIS A 2 4.003 -14.884 1.976 1.00 45.43 H new ATOM 0 HE1 HIS A 2 2.642 -18.328 4.048 1.00 2.54 H new ATOM 0 HE2 HIS A 2 4.325 -17.443 2.352 1.00 72.04 H new ATOM 76 N HIS A 3 -1.673 -12.673 3.871 1.00 13.21 N ATOM 77 CA HIS A 3 -2.493 -11.619 4.459 1.00 42.42 C ATOM 78 C HIS A 3 -3.332 -12.164 5.610 1.00 63.20 C ATOM 79 O HIS A 3 -3.754 -13.321 5.593 1.00 2.02 O ATOM 80 CB HIS A 3 -3.401 -10.998 3.399 1.00 1.22 C ATOM 81 CG HIS A 3 -2.692 -10.053 2.480 1.00 65.11 C ATOM 82 ND1 HIS A 3 -2.857 -10.066 1.111 1.00 71.31 N ATOM 83 CD2 HIS A 3 -1.809 -9.060 2.741 1.00 41.43 C ATOM 84 CE1 HIS A 3 -2.106 -9.123 0.571 1.00 65.21 C ATOM 85 NE2 HIS A 3 -1.460 -8.498 1.538 1.00 12.34 N ATOM 0 H HIS A 3 -2.187 -13.520 3.626 1.00 13.21 H new ATOM 0 HA HIS A 3 -1.827 -10.850 4.850 1.00 42.42 H new ATOM 0 HB2 HIS A 3 -3.853 -11.795 2.809 1.00 1.22 H new ATOM 0 HB3 HIS A 3 -4.214 -10.468 3.895 1.00 1.22 H new ATOM 0 HD2 HIS A 3 -1.447 -8.765 3.715 1.00 41.43 H new ATOM 0 HE1 HIS A 3 -2.033 -8.901 -0.483 1.00 65.21 H new ATOM 0 HE2 HIS A 3 -0.808 -7.724 1.412 1.00 12.34 H new ATOM 93 N HIS A 4 -3.572 -11.323 6.612 1.00 40.35 N ATOM 94 CA HIS A 4 -4.362 -11.720 7.772 1.00 22.10 C ATOM 95 C HIS A 4 -5.513 -10.746 8.006 1.00 74.02 C ATOM 96 O HIS A 4 -5.522 -9.639 7.466 1.00 44.32 O ATOM 97 CB HIS A 4 -3.478 -11.791 9.017 1.00 1.30 C ATOM 98 CG HIS A 4 -2.954 -10.458 9.456 1.00 5.31 C ATOM 99 ND1 HIS A 4 -3.649 -9.615 10.298 1.00 64.23 N ATOM 100 CD2 HIS A 4 -1.793 -9.824 9.166 1.00 51.54 C ATOM 101 CE1 HIS A 4 -2.939 -8.520 10.504 1.00 54.22 C ATOM 102 NE2 HIS A 4 -1.808 -8.623 9.829 1.00 4.14 N ATOM 0 H HIS A 4 -3.230 -10.362 6.643 1.00 40.35 H new ATOM 0 HA HIS A 4 -4.780 -12.707 7.575 1.00 22.10 H new ATOM 0 HB2 HIS A 4 -4.049 -12.235 9.833 1.00 1.30 H new ATOM 0 HB3 HIS A 4 -2.637 -12.455 8.818 1.00 1.30 H new ATOM 0 HD2 HIS A 4 -1.002 -10.195 8.531 1.00 51.54 H new ATOM 0 HE1 HIS A 4 -3.233 -7.683 11.120 1.00 54.22 H new ATOM 0 HE2 HIS A 4 -1.066 -7.923 9.805 1.00 4.14 H new ATOM 110 N HIS A 5 -6.483 -11.166 8.812 1.00 60.24 N ATOM 111 CA HIS A 5 -7.639 -10.331 9.116 1.00 11.12 C ATOM 112 C HIS A 5 -7.773 -10.115 10.620 1.00 33.24 C ATOM 113 O HIS A 5 -7.655 -8.993 11.112 1.00 12.22 O ATOM 114 CB HIS A 5 -8.915 -10.967 8.563 1.00 22.12 C ATOM 115 CG HIS A 5 -10.163 -10.225 8.931 1.00 33.15 C ATOM 116 ND1 HIS A 5 -10.274 -8.853 8.848 1.00 43.31 N ATOM 117 CD2 HIS A 5 -11.358 -10.672 9.384 1.00 2.04 C ATOM 118 CE1 HIS A 5 -11.483 -8.488 9.236 1.00 73.02 C ATOM 119 NE2 HIS A 5 -12.161 -9.572 9.565 1.00 44.41 N ATOM 0 H HIS A 5 -6.491 -12.079 9.266 1.00 60.24 H new ATOM 0 HA HIS A 5 -7.491 -9.362 8.640 1.00 11.12 H new ATOM 0 HB2 HIS A 5 -8.842 -11.022 7.477 1.00 22.12 H new ATOM 0 HB3 HIS A 5 -8.989 -11.991 8.930 1.00 22.12 H new ATOM 0 HD2 HIS A 5 -11.629 -11.701 9.569 1.00 2.04 H new ATOM 0 HE1 HIS A 5 -11.854 -7.475 9.277 1.00 73.02 H new ATOM 0 HE2 HIS A 5 -13.125 -9.590 9.899 1.00 44.41 H new ATOM 127 N THR A 6 -8.024 -11.200 11.348 1.00 44.42 N ATOM 128 CA THR A 6 -8.176 -11.130 12.796 1.00 11.22 C ATOM 129 C THR A 6 -6.939 -11.667 13.506 1.00 23.31 C ATOM 130 O THR A 6 -6.551 -12.820 13.312 1.00 44.55 O ATOM 131 CB THR A 6 -9.411 -11.921 13.269 1.00 11.30 C ATOM 132 OG1 THR A 6 -10.491 -11.740 12.347 1.00 25.35 O ATOM 133 CG2 THR A 6 -9.841 -11.472 14.657 1.00 51.53 C ATOM 0 H THR A 6 -8.126 -12.137 10.958 1.00 44.42 H new ATOM 0 HA THR A 6 -8.308 -10.078 13.050 1.00 11.22 H new ATOM 0 HB THR A 6 -9.145 -12.977 13.312 1.00 11.30 H new ATOM 0 HG1 THR A 6 -11.271 -12.247 12.654 1.00 25.35 H new ATOM 0 HG21 THR A 6 -10.714 -12.044 14.970 1.00 51.53 H new ATOM 0 HG22 THR A 6 -9.026 -11.638 15.362 1.00 51.53 H new ATOM 0 HG23 THR A 6 -10.091 -10.411 14.635 1.00 51.53 H new ATOM 141 N LYS A 7 -6.323 -10.827 14.330 1.00 74.22 N ATOM 142 CA LYS A 7 -5.130 -11.219 15.071 1.00 52.34 C ATOM 143 C LYS A 7 -5.475 -11.558 16.517 1.00 44.13 C ATOM 144 O LYS A 7 -5.497 -10.683 17.382 1.00 11.03 O ATOM 145 CB LYS A 7 -4.091 -10.095 15.034 1.00 74.23 C ATOM 146 CG LYS A 7 -3.411 -9.940 13.684 1.00 71.23 C ATOM 147 CD LYS A 7 -2.168 -9.071 13.782 1.00 12.54 C ATOM 148 CE LYS A 7 -2.508 -7.664 14.248 1.00 45.02 C ATOM 149 NZ LYS A 7 -1.309 -6.781 14.263 1.00 71.41 N1+ ATOM 0 H LYS A 7 -6.630 -9.870 14.502 1.00 74.22 H new ATOM 0 HA LYS A 7 -4.713 -12.108 14.597 1.00 52.34 H new ATOM 0 HB2 LYS A 7 -4.575 -9.155 15.298 1.00 74.23 H new ATOM 0 HB3 LYS A 7 -3.333 -10.287 15.793 1.00 74.23 H new ATOM 0 HG2 LYS A 7 -3.140 -10.922 13.297 1.00 71.23 H new ATOM 0 HG3 LYS A 7 -4.109 -9.499 12.972 1.00 71.23 H new ATOM 0 HD2 LYS A 7 -1.460 -9.524 14.476 1.00 12.54 H new ATOM 0 HD3 LYS A 7 -1.677 -9.025 12.810 1.00 12.54 H new ATOM 0 HE2 LYS A 7 -3.266 -7.237 13.591 1.00 45.02 H new ATOM 0 HE3 LYS A 7 -2.940 -7.707 15.248 1.00 45.02 H new ATOM 0 HZ1 LYS A 7 -1.582 -5.831 14.586 1.00 71.41 H new ATOM 0 HZ2 LYS A 7 -0.596 -7.175 14.909 1.00 71.41 H new ATOM 0 HZ3 LYS A 7 -0.911 -6.720 13.304 1.00 71.41 H new ATOM 163 N GLY A 8 -5.744 -12.834 16.773 1.00 4.54 N ATOM 164 CA GLY A 8 -6.083 -13.266 18.116 1.00 1.12 C ATOM 165 C GLY A 8 -7.561 -13.117 18.418 1.00 12.44 C ATOM 166 O GLY A 8 -8.092 -12.007 18.416 1.00 42.34 O ATOM 0 H GLY A 8 -5.733 -13.577 16.074 1.00 4.54 H new ATOM 0 HA2 GLY A 8 -5.793 -14.309 18.243 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.508 -12.685 18.837 1.00 1.12 H new ATOM 170 N ASN A 9 -8.226 -14.237 18.676 1.00 51.20 N ATOM 171 CA ASN A 9 -9.653 -14.226 18.978 1.00 63.11 C ATOM 172 C ASN A 9 -10.058 -15.483 19.744 1.00 4.24 C ATOM 173 O ASN A 9 -9.892 -16.600 19.254 1.00 20.25 O ATOM 174 CB ASN A 9 -10.469 -14.117 17.688 1.00 62.31 C ATOM 175 CG ASN A 9 -11.916 -14.525 17.882 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.485 -15.247 17.063 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.520 -14.063 18.971 1.00 54.03 N ATOM 0 H ASN A 9 -7.801 -15.164 18.682 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.858 -13.358 19.604 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.430 -13.091 17.322 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -10.017 -14.746 16.921 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.494 -14.304 19.155 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -12.010 -13.467 19.623 1.00 54.03 H new ATOM 184 N VAL A 10 -10.589 -15.292 20.948 1.00 11.42 N ATOM 185 CA VAL A 10 -11.018 -16.409 21.779 1.00 24.54 C ATOM 186 C VAL A 10 -12.539 -16.518 21.811 1.00 65.31 C ATOM 187 O VAL A 10 -13.239 -15.529 22.030 1.00 73.33 O ATOM 188 CB VAL A 10 -10.495 -16.269 23.221 1.00 72.34 C ATOM 189 CG1 VAL A 10 -10.843 -17.503 24.038 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.993 -16.026 23.221 1.00 42.41 C ATOM 0 H VAL A 10 -10.732 -14.374 21.369 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.601 -17.313 21.335 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.980 -15.409 23.683 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.465 -17.385 25.054 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -11.925 -17.628 24.066 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.388 -18.382 23.581 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.640 -15.929 24.248 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.489 -16.865 22.741 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.773 -15.109 22.674 1.00 42.41 H new ATOM 200 N THR A 11 -13.045 -17.727 21.591 1.00 10.10 N ATOM 201 CA THR A 11 -14.483 -17.966 21.594 1.00 34.03 C ATOM 202 C THR A 11 -14.843 -19.141 22.497 1.00 20.04 C ATOM 203 O THR A 11 -13.999 -19.981 22.805 1.00 73.43 O ATOM 204 CB THR A 11 -15.008 -18.247 20.173 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.134 -19.158 19.498 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.119 -16.957 19.373 1.00 3.03 C ATOM 0 H THR A 11 -12.480 -18.556 21.408 1.00 10.10 H new ATOM 0 HA THR A 11 -14.954 -17.060 21.976 1.00 34.03 H new ATOM 0 HB THR A 11 -16.000 -18.691 20.258 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.476 -19.332 18.596 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.492 -17.180 18.373 1.00 3.03 H new ATOM 0 HG22 THR A 11 -15.808 -16.277 19.874 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.137 -16.489 19.298 1.00 3.03 H new ATOM 214 N SER A 12 -16.103 -19.192 22.918 1.00 72.20 N ATOM 215 CA SER A 12 -16.575 -20.263 23.789 1.00 63.13 C ATOM 216 C SER A 12 -16.971 -21.490 22.975 1.00 64.31 C ATOM 217 O SER A 12 -17.280 -21.390 21.788 1.00 41.10 O ATOM 218 CB SER A 12 -17.764 -19.783 24.622 1.00 31.13 C ATOM 219 OG SER A 12 -17.374 -19.507 25.957 1.00 24.24 O ATOM 0 H SER A 12 -16.815 -18.505 22.670 1.00 72.20 H new ATOM 0 HA SER A 12 -15.760 -20.541 24.458 1.00 63.13 H new ATOM 0 HB2 SER A 12 -18.189 -18.886 24.171 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.545 -20.543 24.618 1.00 31.13 H new ATOM 0 HG SER A 12 -17.642 -20.251 26.536 1.00 24.24 H new ATOM 225 N LYS A 13 -16.958 -22.650 23.623 1.00 44.22 N ATOM 226 CA LYS A 13 -17.318 -23.899 22.962 1.00 60.22 C ATOM 227 C LYS A 13 -18.794 -24.222 23.172 1.00 54.30 C ATOM 228 O LYS A 13 -19.217 -25.369 23.027 1.00 2.34 O ATOM 229 CB LYS A 13 -16.454 -25.047 23.491 1.00 51.22 C ATOM 230 CG LYS A 13 -16.375 -26.235 22.548 1.00 2.31 C ATOM 231 CD LYS A 13 -16.208 -27.540 23.307 1.00 13.33 C ATOM 232 CE LYS A 13 -16.712 -28.724 22.497 1.00 53.45 C ATOM 233 NZ LYS A 13 -15.824 -29.024 21.340 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.702 -22.751 24.605 1.00 44.22 H new ATOM 0 HA LYS A 13 -17.140 -23.779 21.893 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.447 -24.675 23.679 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.854 -25.380 24.449 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -17.279 -26.279 21.941 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.538 -26.102 21.863 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -15.156 -27.687 23.553 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.751 -27.486 24.250 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -16.779 -29.601 23.140 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -17.719 -28.515 22.137 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -16.202 -29.837 20.814 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -15.780 -28.196 20.712 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -14.869 -29.249 21.685 1.00 51.21 H new ATOM 247 N THR A 14 -19.575 -23.202 23.515 1.00 41.41 N ATOM 248 CA THR A 14 -21.003 -23.377 23.745 1.00 75.14 C ATOM 249 C THR A 14 -21.805 -23.067 22.485 1.00 53.42 C ATOM 250 O THR A 14 -22.540 -23.917 21.982 1.00 1.11 O ATOM 251 CB THR A 14 -21.502 -22.477 24.891 1.00 22.31 C ATOM 252 OG1 THR A 14 -21.316 -21.099 24.548 1.00 34.11 O ATOM 253 CG2 THR A 14 -20.763 -22.788 26.184 1.00 0.42 C ATOM 0 H THR A 14 -19.242 -22.246 23.640 1.00 41.41 H new ATOM 0 HA THR A 14 -21.153 -24.421 24.021 1.00 75.14 H new ATOM 0 HB THR A 14 -22.564 -22.673 25.042 1.00 22.31 H new ATOM 0 HG1 THR A 14 -21.637 -20.533 25.281 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.132 -22.140 26.979 1.00 0.42 H new ATOM 0 HG22 THR A 14 -20.931 -23.830 26.457 1.00 0.42 H new ATOM 0 HG23 THR A 14 -19.696 -22.617 26.043 1.00 0.42 H new ATOM 261 N ASP A 15 -21.657 -21.847 21.982 1.00 13.30 N ATOM 262 CA ASP A 15 -22.366 -21.426 20.779 1.00 3.24 C ATOM 263 C ASP A 15 -21.387 -20.974 19.700 1.00 54.23 C ATOM 264 O ASP A 15 -21.685 -21.040 18.509 1.00 30.21 O ATOM 265 CB ASP A 15 -23.341 -20.294 21.106 1.00 34.54 C ATOM 266 CG ASP A 15 -24.656 -20.805 21.660 1.00 5.42 C ATOM 267 OD1 ASP A 15 -25.554 -19.976 21.919 1.00 25.13 O ATOM 268 OD2 ASP A 15 -24.789 -22.034 21.834 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.053 -21.132 22.388 1.00 13.30 H new ATOM 0 HA ASP A 15 -22.926 -22.281 20.400 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -22.882 -19.621 21.830 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.532 -19.711 20.205 1.00 34.54 H new ATOM 273 N GLY A 16 -20.214 -20.514 20.127 1.00 45.50 N ATOM 274 CA GLY A 16 -19.210 -20.056 19.186 1.00 13.14 C ATOM 275 C GLY A 16 -19.087 -18.546 19.157 1.00 50.04 C ATOM 276 O GLY A 16 -18.736 -17.965 18.129 1.00 53.34 O ATOM 0 H GLY A 16 -19.942 -20.451 21.108 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.246 -20.491 19.449 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.461 -20.416 18.188 1.00 13.14 H new ATOM 280 N GLN A 17 -19.379 -17.908 20.286 1.00 15.14 N ATOM 281 CA GLN A 17 -19.301 -16.455 20.384 1.00 71.43 C ATOM 282 C GLN A 17 -17.993 -16.022 21.037 1.00 32.32 C ATOM 283 O GLN A 17 -17.333 -16.795 21.732 1.00 12.20 O ATOM 284 CB GLN A 17 -20.488 -15.913 21.182 1.00 54.31 C ATOM 285 CG GLN A 17 -21.708 -15.606 20.327 1.00 63.40 C ATOM 286 CD GLN A 17 -22.866 -15.059 21.137 1.00 73.24 C ATOM 287 OE1 GLN A 17 -23.041 -15.408 22.305 1.00 3.00 O ATOM 288 NE2 GLN A 17 -23.666 -14.198 20.520 1.00 74.15 N ATOM 0 H GLN A 17 -19.671 -18.374 21.145 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.333 -16.046 19.374 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.764 -16.640 21.946 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.181 -15.005 21.702 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -21.435 -14.884 19.557 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.025 -16.514 19.814 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -23.484 -13.937 19.551 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -24.463 -13.798 21.015 1.00 74.15 H new ATOM 297 N PRO A 18 -17.608 -14.758 20.812 1.00 51.11 N ATOM 298 CA PRO A 18 -16.377 -14.193 21.371 1.00 61.23 C ATOM 299 C PRO A 18 -16.459 -14.002 22.881 1.00 5.35 C ATOM 300 O PRO A 18 -17.531 -13.728 23.424 1.00 41.13 O ATOM 301 CB PRO A 18 -16.255 -12.839 20.666 1.00 11.54 C ATOM 302 CG PRO A 18 -17.652 -12.480 20.292 1.00 0.34 C ATOM 303 CD PRO A 18 -18.347 -13.780 19.994 1.00 14.12 C ATOM 0 HA PRO A 18 -15.521 -14.849 21.215 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -15.816 -12.089 21.323 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -15.615 -12.907 19.787 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.149 -11.949 21.104 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -17.667 -11.821 19.424 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.402 -13.743 20.267 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.300 -14.027 18.933 1.00 14.12 H new ATOM 311 N ILE A 19 -15.324 -14.147 23.555 1.00 51.31 N ATOM 312 CA ILE A 19 -15.269 -13.989 25.003 1.00 72.32 C ATOM 313 C ILE A 19 -14.864 -12.569 25.385 1.00 61.13 C ATOM 314 O ILE A 19 -13.746 -12.135 25.107 1.00 31.30 O ATOM 315 CB ILE A 19 -14.279 -14.982 25.641 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.516 -16.393 25.098 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.411 -14.962 27.156 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.928 -16.892 25.311 1.00 75.31 C ATOM 0 H ILE A 19 -14.429 -14.374 23.121 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.271 -14.194 25.381 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.265 -14.679 25.380 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.292 -16.406 24.031 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.820 -17.080 25.578 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.705 -15.669 27.592 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -14.197 -13.960 27.527 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.426 -15.243 27.437 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -16.024 -17.898 24.902 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -16.150 -16.912 26.378 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.629 -16.227 24.807 1.00 75.31 H new ATOM 330 N ILE A 20 -15.781 -11.851 26.027 1.00 0.14 N ATOM 331 CA ILE A 20 -15.519 -10.482 26.451 1.00 33.25 C ATOM 332 C ILE A 20 -15.165 -10.423 27.933 1.00 4.43 C ATOM 333 O ILE A 20 -15.777 -11.104 28.755 1.00 31.01 O ATOM 334 CB ILE A 20 -16.731 -9.569 26.186 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.214 -9.730 24.743 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.374 -8.118 26.473 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.480 -8.960 24.441 1.00 42.20 C ATOM 0 H ILE A 20 -16.711 -12.195 26.264 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.672 -10.127 25.864 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.541 -9.862 26.854 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.427 -9.399 24.066 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.385 -10.787 24.541 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.241 -7.485 26.281 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.074 -8.016 27.516 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.551 -7.811 25.828 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -18.764 -9.120 23.401 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.281 -9.307 25.094 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.309 -7.897 24.611 1.00 42.20 H new ATOM 349 N GLY A 21 -14.173 -9.602 28.266 1.00 4.13 N ATOM 350 CA GLY A 21 -13.756 -9.468 29.650 1.00 62.52 C ATOM 351 C GLY A 21 -12.927 -10.645 30.123 1.00 10.52 C ATOM 352 O GLY A 21 -13.164 -11.188 31.202 1.00 13.11 O ATOM 0 H GLY A 21 -13.652 -9.028 27.603 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.178 -8.551 29.765 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.637 -9.370 30.284 1.00 62.52 H new ATOM 356 N ALA A 22 -11.952 -11.043 29.312 1.00 14.24 N ATOM 357 CA ALA A 22 -11.084 -12.164 29.653 1.00 24.05 C ATOM 358 C ALA A 22 -9.801 -11.680 30.319 1.00 13.45 C ATOM 359 O ALA A 22 -9.402 -10.528 30.156 1.00 23.13 O ATOM 360 CB ALA A 22 -10.762 -12.979 28.410 1.00 63.11 C ATOM 0 H ALA A 22 -11.743 -10.606 28.414 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.613 -12.800 30.363 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.113 -13.812 28.679 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.686 -13.363 27.977 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.256 -12.346 27.681 1.00 63.11 H new ATOM 366 N SER A 23 -9.158 -12.569 31.070 1.00 20.43 N ATOM 367 CA SER A 23 -7.921 -12.232 31.765 1.00 45.41 C ATOM 368 C SER A 23 -6.719 -12.872 31.076 1.00 32.33 C ATOM 369 O SER A 23 -6.513 -14.083 31.158 1.00 40.44 O ATOM 370 CB SER A 23 -7.989 -12.688 33.223 1.00 52.44 C ATOM 371 OG SER A 23 -9.330 -12.908 33.626 1.00 21.24 O ATOM 0 H SER A 23 -9.474 -13.528 31.213 1.00 20.43 H new ATOM 0 HA SER A 23 -7.801 -11.149 31.736 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.413 -13.605 33.348 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.532 -11.935 33.865 1.00 52.44 H new ATOM 0 HG SER A 23 -9.656 -13.745 33.234 1.00 21.24 H new ATOM 377 N VAL A 24 -5.927 -12.049 30.395 1.00 70.10 N ATOM 378 CA VAL A 24 -4.746 -12.533 29.693 1.00 11.40 C ATOM 379 C VAL A 24 -3.468 -12.018 30.347 1.00 21.15 C ATOM 380 O VAL A 24 -3.268 -10.810 30.480 1.00 75.44 O ATOM 381 CB VAL A 24 -4.758 -12.106 28.212 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.675 -12.839 27.436 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.127 -12.356 27.599 1.00 64.12 C ATOM 0 H VAL A 24 -6.083 -11.044 30.315 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.768 -13.621 29.751 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.549 -11.038 28.157 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.699 -12.525 26.393 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.700 -12.605 27.863 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.849 -13.913 27.495 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.119 -12.049 26.553 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.366 -13.417 27.664 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.878 -11.781 28.140 1.00 64.12 H new ATOM 393 N VAL A 25 -2.605 -12.943 30.755 1.00 54.40 N ATOM 394 CA VAL A 25 -1.345 -12.584 31.394 1.00 74.22 C ATOM 395 C VAL A 25 -0.205 -13.465 30.897 1.00 74.52 C ATOM 396 O VAL A 25 -0.421 -14.609 30.499 1.00 52.34 O ATOM 397 CB VAL A 25 -1.440 -12.703 32.927 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.614 -11.892 33.454 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.561 -14.162 33.341 1.00 31.03 C ATOM 0 H VAL A 25 -2.756 -13.947 30.654 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.140 -11.547 31.129 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.526 -12.300 33.363 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.665 -11.988 34.539 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.480 -10.843 33.189 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.539 -12.262 33.013 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.627 -14.228 34.427 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.458 -14.593 32.896 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.685 -14.712 32.997 1.00 31.03 H new ATOM 409 N GLU A 26 1.009 -12.924 30.922 1.00 60.03 N ATOM 410 CA GLU A 26 2.183 -13.662 30.473 1.00 2.03 C ATOM 411 C GLU A 26 2.733 -14.543 31.591 1.00 74.12 C ATOM 412 O GLU A 26 2.260 -14.493 32.728 1.00 32.34 O ATOM 413 CB GLU A 26 3.268 -12.695 29.992 1.00 54.12 C ATOM 414 CG GLU A 26 2.743 -11.593 29.089 1.00 11.04 C ATOM 415 CD GLU A 26 1.957 -12.131 27.908 1.00 42.11 C ATOM 416 OE1 GLU A 26 2.470 -12.059 26.772 1.00 1.54 O ATOM 417 OE2 GLU A 26 0.829 -12.623 28.121 1.00 73.20 O1- ATOM 0 H GLU A 26 1.205 -11.978 31.248 1.00 60.03 H new ATOM 0 HA GLU A 26 1.882 -14.302 29.644 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.751 -12.244 30.859 1.00 54.12 H new ATOM 0 HB3 GLU A 26 4.033 -13.258 29.457 1.00 54.12 H new ATOM 0 HG2 GLU A 26 2.107 -10.925 29.670 1.00 11.04 H new ATOM 0 HG3 GLU A 26 3.580 -10.999 28.723 1.00 11.04 H new ATOM 424 N THR A 27 3.735 -15.353 31.262 1.00 32.44 N ATOM 425 CA THR A 27 4.349 -16.246 32.235 1.00 21.42 C ATOM 426 C THR A 27 5.177 -15.468 33.251 1.00 43.23 C ATOM 427 O THR A 27 5.137 -15.752 34.449 1.00 52.43 O ATOM 428 CB THR A 27 5.247 -17.293 31.550 1.00 43.33 C ATOM 429 OG1 THR A 27 5.839 -16.734 30.373 1.00 43.23 O ATOM 430 CG2 THR A 27 4.448 -18.534 31.182 1.00 11.11 C ATOM 0 H THR A 27 4.138 -15.408 30.327 1.00 32.44 H new ATOM 0 HA THR A 27 3.536 -16.758 32.750 1.00 21.42 H new ATOM 0 HB THR A 27 6.032 -17.581 32.250 1.00 43.33 H new ATOM 0 HG1 THR A 27 5.244 -16.877 29.608 1.00 43.23 H new ATOM 0 HG21 THR A 27 5.104 -19.259 30.700 1.00 11.11 H new ATOM 0 HG22 THR A 27 4.022 -18.973 32.084 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.645 -18.260 30.498 1.00 11.11 H new ATOM 438 N THR A 28 5.928 -14.484 32.765 1.00 30.42 N ATOM 439 CA THR A 28 6.767 -13.665 33.631 1.00 4.41 C ATOM 440 C THR A 28 6.263 -12.227 33.685 1.00 13.12 C ATOM 441 O THR A 28 6.551 -11.493 34.630 1.00 64.00 O ATOM 442 CB THR A 28 8.232 -13.665 33.156 1.00 64.03 C ATOM 443 OG1 THR A 28 8.284 -13.614 31.726 1.00 63.55 O ATOM 444 CG2 THR A 28 8.962 -14.905 33.652 1.00 20.21 C ATOM 0 H THR A 28 5.972 -14.235 31.777 1.00 30.42 H new ATOM 0 HA THR A 28 6.715 -14.103 34.628 1.00 4.41 H new ATOM 0 HB THR A 28 8.724 -12.784 33.568 1.00 64.03 H new ATOM 0 HG1 THR A 28 9.219 -13.613 31.433 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.995 -14.883 33.304 1.00 20.21 H new ATOM 0 HG22 THR A 28 8.947 -14.925 34.742 1.00 20.21 H new ATOM 0 HG23 THR A 28 8.468 -15.797 33.266 1.00 20.21 H new ATOM 452 N ALA A 29 5.507 -11.832 32.666 1.00 21.15 N ATOM 453 CA ALA A 29 4.959 -10.483 32.600 1.00 63.21 C ATOM 454 C ALA A 29 3.447 -10.492 32.795 1.00 61.33 C ATOM 455 O ALA A 29 2.686 -10.358 31.836 1.00 2.51 O ATOM 456 CB ALA A 29 5.318 -9.832 31.272 1.00 62.41 C ATOM 0 H ALA A 29 5.260 -12.427 31.875 1.00 21.15 H new ATOM 0 HA ALA A 29 5.399 -9.900 33.409 1.00 63.21 H new ATOM 0 HB1 ALA A 29 4.902 -8.825 31.236 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.402 -9.781 31.173 1.00 62.41 H new ATOM 0 HB3 ALA A 29 4.907 -10.423 30.454 1.00 62.41 H new ATOM 462 N THR A 30 3.017 -10.654 34.042 1.00 64.05 N ATOM 463 CA THR A 30 1.596 -10.684 34.363 1.00 52.03 C ATOM 464 C THR A 30 1.056 -9.279 34.598 1.00 44.32 C ATOM 465 O THR A 30 -0.093 -8.981 34.268 1.00 33.44 O ATOM 466 CB THR A 30 1.320 -11.544 35.611 1.00 73.01 C ATOM 467 OG1 THR A 30 1.990 -10.986 36.747 1.00 1.52 O ATOM 468 CG2 THR A 30 1.782 -12.977 35.396 1.00 41.22 C ATOM 0 H THR A 30 3.633 -10.767 34.847 1.00 64.05 H new ATOM 0 HA THR A 30 1.088 -11.127 33.506 1.00 52.03 H new ATOM 0 HB THR A 30 0.245 -11.550 35.790 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.809 -11.537 37.537 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.576 -13.564 36.291 1.00 41.22 H new ATOM 0 HG22 THR A 30 1.248 -13.408 34.549 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.853 -12.988 35.194 1.00 41.22 H new ATOM 476 N THR A 31 1.890 -8.417 35.169 1.00 20.21 N ATOM 477 CA THR A 31 1.495 -7.041 35.449 1.00 74.23 C ATOM 478 C THR A 31 0.951 -6.361 34.198 1.00 5.21 C ATOM 479 O THR A 31 0.093 -5.483 34.281 1.00 44.33 O ATOM 480 CB THR A 31 2.677 -6.218 35.994 1.00 70.21 C ATOM 481 OG1 THR A 31 3.220 -6.851 37.158 1.00 65.04 O ATOM 482 CG2 THR A 31 2.237 -4.803 36.339 1.00 32.33 C ATOM 0 H THR A 31 2.844 -8.647 35.447 1.00 20.21 H new ATOM 0 HA THR A 31 0.712 -7.084 36.206 1.00 74.23 H new ATOM 0 HB THR A 31 3.442 -6.166 35.220 1.00 70.21 H new ATOM 0 HG1 THR A 31 3.972 -6.322 37.497 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.088 -4.240 36.722 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.851 -4.314 35.445 1.00 32.33 H new ATOM 0 HG23 THR A 31 1.455 -4.840 37.098 1.00 32.33 H new ATOM 490 N ASN A 32 1.455 -6.772 33.039 1.00 33.34 N ATOM 491 CA ASN A 32 1.018 -6.201 31.769 1.00 52.15 C ATOM 492 C ASN A 32 -0.115 -7.024 31.165 1.00 70.20 C ATOM 493 O ASN A 32 -0.254 -7.105 29.945 1.00 25.25 O ATOM 494 CB ASN A 32 2.190 -6.129 30.790 1.00 21.20 C ATOM 495 CG ASN A 32 1.862 -5.312 29.554 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.328 -4.207 29.651 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.178 -5.855 28.385 1.00 53.21 N ATOM 0 H ASN A 32 2.166 -7.498 32.952 1.00 33.34 H new ATOM 0 HA ASN A 32 0.649 -5.193 31.959 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.053 -5.692 31.292 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.472 -7.138 30.491 1.00 21.20 H new ATOM 0 HD21 ASN A 32 1.979 -5.354 27.519 1.00 53.21 H new ATOM 0 HD22 ASN A 32 2.620 -6.774 28.352 1.00 53.21 H new ATOM 504 N GLY A 33 -0.923 -7.632 32.027 1.00 61.22 N ATOM 505 CA GLY A 33 -2.034 -8.441 31.560 1.00 53.12 C ATOM 506 C GLY A 33 -3.044 -7.635 30.766 1.00 52.44 C ATOM 507 O GLY A 33 -3.367 -6.503 31.126 1.00 13.13 O ATOM 0 H GLY A 33 -0.828 -7.579 33.041 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.653 -9.253 30.940 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.531 -8.899 32.415 1.00 53.12 H new ATOM 511 N THR A 34 -3.542 -8.219 29.681 1.00 73.43 N ATOM 512 CA THR A 34 -4.518 -7.547 28.832 1.00 24.51 C ATOM 513 C THR A 34 -5.845 -8.297 28.819 1.00 64.20 C ATOM 514 O THR A 34 -5.903 -9.481 29.155 1.00 40.52 O ATOM 515 CB THR A 34 -4.005 -7.409 27.386 1.00 43.53 C ATOM 516 OG1 THR A 34 -2.618 -7.052 27.390 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.803 -6.360 26.627 1.00 1.21 C ATOM 0 H THR A 34 -3.286 -9.156 29.369 1.00 73.43 H new ATOM 0 HA THR A 34 -4.670 -6.553 29.252 1.00 24.51 H new ATOM 0 HB THR A 34 -4.130 -8.369 26.886 1.00 43.53 H new ATOM 0 HG1 THR A 34 -2.071 -7.865 27.389 1.00 72.33 H new ATOM 0 HG21 THR A 34 -4.423 -6.280 25.609 1.00 1.21 H new ATOM 0 HG22 THR A 34 -5.853 -6.651 26.600 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.706 -5.396 27.127 1.00 1.21 H new ATOM 525 N ILE A 35 -6.908 -7.603 28.429 1.00 53.35 N ATOM 526 CA ILE A 35 -8.235 -8.205 28.371 1.00 41.13 C ATOM 527 C ILE A 35 -8.744 -8.278 26.936 1.00 31.20 C ATOM 528 O ILE A 35 -8.237 -7.588 26.050 1.00 21.21 O ATOM 529 CB ILE A 35 -9.248 -7.420 29.225 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.236 -5.941 28.835 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.936 -7.587 30.705 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.593 -5.413 28.423 1.00 62.41 C ATOM 0 H ILE A 35 -6.877 -6.623 28.148 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.141 -9.214 28.772 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.245 -7.818 29.038 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -8.867 -5.355 29.677 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.534 -5.796 28.014 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.661 -7.026 31.295 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -8.990 -8.643 30.971 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.933 -7.212 30.910 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.509 -4.359 28.160 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -10.955 -5.974 27.561 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -11.294 -5.526 29.250 1.00 62.41 H new ATOM 544 N THR A 36 -9.750 -9.117 26.711 1.00 11.05 N ATOM 545 CA THR A 36 -10.329 -9.278 25.384 1.00 11.35 C ATOM 546 C THR A 36 -11.374 -8.204 25.104 1.00 20.04 C ATOM 547 O THR A 36 -12.028 -7.707 26.023 1.00 42.14 O ATOM 548 CB THR A 36 -10.978 -10.665 25.219 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.704 -11.010 26.404 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.925 -11.726 24.936 1.00 55.34 C ATOM 0 H THR A 36 -10.181 -9.696 27.432 1.00 11.05 H new ATOM 0 HA THR A 36 -9.512 -9.180 24.670 1.00 11.35 H new ATOM 0 HB THR A 36 -11.664 -10.622 24.373 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.405 -11.658 26.181 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.408 -12.697 24.823 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.394 -11.476 24.017 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.218 -11.766 25.764 1.00 55.34 H new ATOM 558 N ASP A 37 -11.528 -7.851 23.833 1.00 12.13 N ATOM 559 CA ASP A 37 -12.496 -6.837 23.433 1.00 12.53 C ATOM 560 C ASP A 37 -13.879 -7.451 23.239 1.00 15.53 C ATOM 561 O ASP A 37 -14.082 -8.640 23.489 1.00 0.31 O ATOM 562 CB ASP A 37 -12.044 -6.149 22.144 1.00 5.44 C ATOM 563 CG ASP A 37 -10.922 -5.156 22.381 1.00 34.54 C ATOM 564 OD1 ASP A 37 -9.757 -5.499 22.094 1.00 11.40 O ATOM 565 OD2 ASP A 37 -11.211 -4.036 22.853 1.00 5.53 O1- ATOM 0 H ASP A 37 -10.995 -8.252 23.062 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.557 -6.095 24.229 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -11.713 -6.903 21.430 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -12.892 -5.634 21.694 1.00 5.44 H new ATOM 570 N PHE A 38 -14.826 -6.635 22.791 1.00 33.31 N ATOM 571 CA PHE A 38 -16.191 -7.097 22.564 1.00 53.25 C ATOM 572 C PHE A 38 -16.217 -8.237 21.550 1.00 61.41 C ATOM 573 O PHE A 38 -17.084 -9.110 21.602 1.00 72.12 O ATOM 574 CB PHE A 38 -17.069 -5.943 22.076 1.00 35.41 C ATOM 575 CG PHE A 38 -18.524 -6.117 22.406 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.403 -6.636 21.470 1.00 64.43 C ATOM 577 CD2 PHE A 38 -19.012 -5.759 23.652 1.00 13.51 C ATOM 578 CE1 PHE A 38 -20.742 -6.797 21.769 1.00 20.23 C ATOM 579 CE2 PHE A 38 -20.350 -5.918 23.958 1.00 23.43 C ATOM 580 CZ PHE A 38 -21.217 -6.437 23.016 1.00 34.05 C ATOM 0 H PHE A 38 -14.674 -5.649 22.577 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.585 -7.467 23.510 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -16.713 -5.013 22.519 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -16.959 -5.844 20.996 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.037 -6.918 20.494 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -18.339 -5.351 24.392 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.416 -7.203 21.030 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -20.718 -5.637 24.934 1.00 23.43 H new ATOM 0 HZ PHE A 38 -22.263 -6.561 23.253 1.00 34.05 H new ATOM 590 N ASP A 39 -15.261 -8.221 20.626 1.00 22.51 N ATOM 591 CA ASP A 39 -15.173 -9.252 19.599 1.00 30.24 C ATOM 592 C ASP A 39 -14.312 -10.419 20.073 1.00 3.40 C ATOM 593 O ASP A 39 -13.907 -11.267 19.279 1.00 20.40 O ATOM 594 CB ASP A 39 -14.598 -8.668 18.309 1.00 73.22 C ATOM 595 CG ASP A 39 -15.670 -8.084 17.410 1.00 23.23 C ATOM 596 OD1 ASP A 39 -16.106 -8.786 16.474 1.00 51.04 O ATOM 597 OD2 ASP A 39 -16.071 -6.923 17.641 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.537 -7.505 20.568 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.179 -9.623 19.403 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.873 -7.892 18.556 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.060 -9.447 17.769 1.00 73.22 H new ATOM 602 N GLY A 40 -14.033 -10.453 21.372 1.00 73.03 N ATOM 603 CA GLY A 40 -13.221 -11.519 21.929 1.00 73.43 C ATOM 604 C GLY A 40 -11.807 -11.517 21.379 1.00 75.31 C ATOM 605 O GLY A 40 -11.160 -12.561 21.311 1.00 64.34 O ATOM 0 H GLY A 40 -14.355 -9.761 22.049 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.186 -11.417 23.014 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.690 -12.479 21.714 1.00 73.43 H new ATOM 609 N ASN A 41 -11.329 -10.342 20.986 1.00 12.43 N ATOM 610 CA ASN A 41 -9.984 -10.209 20.438 1.00 23.51 C ATOM 611 C ASN A 41 -9.196 -9.136 21.183 1.00 23.24 C ATOM 612 O ASN A 41 -9.745 -8.105 21.572 1.00 21.02 O ATOM 613 CB ASN A 41 -10.049 -9.867 18.948 1.00 52.24 C ATOM 614 CG ASN A 41 -11.140 -8.861 18.633 1.00 71.23 C ATOM 615 OD1 ASN A 41 -11.521 -8.056 19.483 1.00 52.35 O ATOM 616 ND2 ASN A 41 -11.647 -8.902 17.406 1.00 22.41 N ATOM 0 H ASN A 41 -11.852 -9.468 21.036 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.472 -11.163 20.563 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -9.087 -9.468 18.627 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.223 -10.778 18.376 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -12.383 -8.249 17.136 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -11.301 -9.586 16.734 1.00 22.41 H new ATOM 623 N PHE A 42 -7.905 -9.386 21.378 1.00 71.21 N ATOM 624 CA PHE A 42 -7.041 -8.441 22.077 1.00 52.03 C ATOM 625 C PHE A 42 -5.745 -8.216 21.305 1.00 31.22 C ATOM 626 O PHE A 42 -5.433 -8.947 20.363 1.00 60.33 O ATOM 627 CB PHE A 42 -6.727 -8.951 23.485 1.00 2.54 C ATOM 628 CG PHE A 42 -6.074 -10.303 23.501 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.705 -10.424 23.676 1.00 24.02 C ATOM 630 CD2 PHE A 42 -6.829 -11.454 23.341 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.101 -11.667 23.692 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.230 -12.700 23.357 1.00 3.45 C ATOM 633 CZ PHE A 42 -4.864 -12.806 23.531 1.00 22.53 C ATOM 0 H PHE A 42 -7.434 -10.234 21.062 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.569 -7.490 22.151 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -6.074 -8.235 23.985 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.651 -8.996 24.061 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.103 -9.536 23.801 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -7.897 -11.377 23.202 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.033 -11.747 23.830 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -6.830 -13.590 23.234 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.394 -13.778 23.541 1.00 22.53 H new ATOM 643 N THR A 43 -4.990 -7.199 21.708 1.00 70.14 N ATOM 644 CA THR A 43 -3.729 -6.875 21.054 1.00 1.25 C ATOM 645 C THR A 43 -2.625 -6.636 22.078 1.00 72.34 C ATOM 646 O THR A 43 -2.696 -5.701 22.878 1.00 32.41 O ATOM 647 CB THR A 43 -3.864 -5.628 20.161 1.00 55.40 C ATOM 648 OG1 THR A 43 -2.568 -5.179 19.748 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.583 -4.509 20.898 1.00 0.43 C ATOM 0 H THR A 43 -5.231 -6.585 22.486 1.00 70.14 H new ATOM 0 HA THR A 43 -3.466 -7.731 20.432 1.00 1.25 H new ATOM 0 HB THR A 43 -4.451 -5.899 19.284 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.662 -4.387 19.179 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.666 -3.639 20.247 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.580 -4.844 21.185 1.00 0.43 H new ATOM 0 HG23 THR A 43 -4.019 -4.241 21.791 1.00 0.43 H new ATOM 657 N LEU A 44 -1.603 -7.485 22.049 1.00 30.33 N ATOM 658 CA LEU A 44 -0.482 -7.364 22.974 1.00 30.51 C ATOM 659 C LEU A 44 0.831 -7.727 22.289 1.00 15.23 C ATOM 660 O LEU A 44 0.928 -8.751 21.614 1.00 43.42 O ATOM 661 CB LEU A 44 -0.701 -8.265 24.191 1.00 2.24 C ATOM 662 CG LEU A 44 0.062 -7.879 25.458 1.00 41.34 C ATOM 663 CD1 LEU A 44 1.557 -8.073 25.262 1.00 14.32 C ATOM 664 CD2 LEU A 44 -0.244 -6.440 25.847 1.00 72.23 C ATOM 0 H LEU A 44 -1.528 -8.264 21.395 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.424 -6.326 23.303 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.766 -8.277 24.422 1.00 2.24 H new ATOM 0 HB3 LEU A 44 -0.422 -9.283 23.919 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.265 -8.531 26.268 1.00 41.34 H new ATOM 0 HD11 LEU A 44 2.083 -7.793 26.175 1.00 14.32 H new ATOM 0 HD12 LEU A 44 1.761 -9.119 25.032 1.00 14.32 H new ATOM 0 HD13 LEU A 44 1.900 -7.447 24.439 1.00 14.32 H new ATOM 0 HD21 LEU A 44 0.308 -6.182 26.751 1.00 72.23 H new ATOM 0 HD22 LEU A 44 0.054 -5.773 25.038 1.00 72.23 H new ATOM 0 HD23 LEU A 44 -1.313 -6.332 26.031 1.00 72.23 H new ATOM 676 N SER A 45 1.840 -6.880 22.468 1.00 73.42 N ATOM 677 CA SER A 45 3.148 -7.111 21.866 1.00 30.11 C ATOM 678 C SER A 45 4.166 -7.531 22.921 1.00 54.45 C ATOM 679 O SER A 45 4.370 -6.835 23.917 1.00 53.14 O ATOM 680 CB SER A 45 3.631 -5.850 21.148 1.00 12.24 C ATOM 681 OG SER A 45 3.963 -4.830 22.075 1.00 52.35 O ATOM 0 H SER A 45 1.777 -6.028 23.025 1.00 73.42 H new ATOM 0 HA SER A 45 3.049 -7.919 21.141 1.00 30.11 H new ATOM 0 HB2 SER A 45 4.501 -6.087 20.536 1.00 12.24 H new ATOM 0 HB3 SER A 45 2.854 -5.493 20.472 1.00 12.24 H new ATOM 0 HG SER A 45 4.046 -5.217 22.972 1.00 52.35 H new ATOM 687 N VAL A 46 4.804 -8.676 22.697 1.00 11.02 N ATOM 688 CA VAL A 46 5.803 -9.190 23.627 1.00 13.10 C ATOM 689 C VAL A 46 7.190 -9.191 22.997 1.00 41.33 C ATOM 690 O VAL A 46 7.346 -9.226 21.777 1.00 34.03 O ATOM 691 CB VAL A 46 5.458 -10.618 24.087 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.351 -10.592 25.130 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.059 -11.479 22.898 1.00 21.52 C ATOM 0 H VAL A 46 4.647 -9.265 21.879 1.00 11.02 H new ATOM 0 HA VAL A 46 5.801 -8.528 24.493 1.00 13.10 H new ATOM 0 HB VAL A 46 6.345 -11.057 24.544 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.121 -11.611 25.442 1.00 64.43 H new ATOM 0 HG12 VAL A 46 4.678 -10.013 25.993 1.00 64.43 H new ATOM 0 HG13 VAL A 46 3.459 -10.134 24.703 1.00 64.43 H new ATOM 0 HG21 VAL A 46 4.819 -12.485 23.242 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.187 -11.044 22.410 1.00 21.52 H new ATOM 0 HG23 VAL A 46 5.886 -11.526 22.189 1.00 21.52 H new ATOM 703 N PRO A 47 8.227 -9.152 23.849 1.00 12.13 N ATOM 704 CA PRO A 47 9.622 -9.150 23.398 1.00 2.21 C ATOM 705 C PRO A 47 10.039 -10.487 22.797 1.00 41.24 C ATOM 706 O PRO A 47 10.623 -10.537 21.714 1.00 33.23 O ATOM 707 CB PRO A 47 10.408 -8.872 24.682 1.00 32.44 C ATOM 708 CG PRO A 47 9.525 -9.355 25.780 1.00 60.01 C ATOM 709 CD PRO A 47 8.116 -9.109 25.317 1.00 52.01 C ATOM 0 HA PRO A 47 9.795 -8.418 22.609 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.363 -9.397 24.683 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.628 -7.810 24.789 1.00 32.44 H new ATOM 0 HG2 PRO A 47 9.692 -10.414 25.977 1.00 60.01 H new ATOM 0 HG3 PRO A 47 9.729 -8.822 26.708 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.431 -9.870 25.691 1.00 52.01 H new ATOM 0 HD3 PRO A 47 7.741 -8.146 25.664 1.00 52.01 H new ATOM 717 N VAL A 48 9.737 -11.570 23.506 1.00 62.33 N ATOM 718 CA VAL A 48 10.079 -12.908 23.041 1.00 40.41 C ATOM 719 C VAL A 48 8.828 -13.707 22.693 1.00 23.10 C ATOM 720 O VAL A 48 7.708 -13.214 22.824 1.00 71.24 O ATOM 721 CB VAL A 48 10.890 -13.680 24.099 1.00 11.01 C ATOM 722 CG1 VAL A 48 12.273 -13.069 24.263 1.00 61.40 C ATOM 723 CG2 VAL A 48 10.147 -13.703 25.427 1.00 30.33 C ATOM 0 H VAL A 48 9.256 -11.546 24.405 1.00 62.33 H new ATOM 0 HA VAL A 48 10.688 -12.785 22.145 1.00 40.41 H new ATOM 0 HB VAL A 48 11.012 -14.708 23.759 1.00 11.01 H new ATOM 0 HG11 VAL A 48 12.831 -13.628 25.014 1.00 61.40 H new ATOM 0 HG12 VAL A 48 12.804 -13.110 23.312 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.177 -12.031 24.580 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.734 -14.252 26.163 1.00 30.33 H new ATOM 0 HG22 VAL A 48 9.992 -12.682 25.775 1.00 30.33 H new ATOM 0 HG23 VAL A 48 9.181 -14.191 25.295 1.00 30.33 H new ATOM 733 N ASN A 49 9.026 -14.945 22.250 1.00 53.04 N ATOM 734 CA ASN A 49 7.913 -15.812 21.883 1.00 3.42 C ATOM 735 C ASN A 49 7.603 -16.801 23.002 1.00 15.14 C ATOM 736 O ASN A 49 7.256 -17.954 22.747 1.00 41.55 O ATOM 737 CB ASN A 49 8.232 -16.569 20.592 1.00 63.41 C ATOM 738 CG ASN A 49 8.341 -15.647 19.393 1.00 20.23 C ATOM 739 OD1 ASN A 49 7.388 -14.952 19.042 1.00 0.21 O ATOM 740 ND2 ASN A 49 9.509 -15.636 18.759 1.00 2.13 N ATOM 0 H ASN A 49 9.947 -15.369 22.137 1.00 53.04 H new ATOM 0 HA ASN A 49 7.035 -15.186 21.721 1.00 3.42 H new ATOM 0 HB2 ASN A 49 9.169 -17.113 20.715 1.00 63.41 H new ATOM 0 HB3 ASN A 49 7.455 -17.310 20.407 1.00 63.41 H new ATOM 0 HD21 ASN A 49 9.642 -15.034 17.946 1.00 2.13 H new ATOM 0 HD22 ASN A 49 10.272 -16.229 19.085 1.00 2.13 H new ATOM 747 N SER A 50 7.730 -16.342 24.243 1.00 44.25 N ATOM 748 CA SER A 50 7.466 -17.186 25.403 1.00 32.14 C ATOM 749 C SER A 50 6.012 -17.649 25.418 1.00 64.13 C ATOM 750 O SER A 50 5.266 -17.423 24.465 1.00 43.22 O ATOM 751 CB SER A 50 7.788 -16.432 26.694 1.00 24.20 C ATOM 752 OG SER A 50 8.088 -17.330 27.747 1.00 2.44 O ATOM 0 H SER A 50 8.014 -15.389 24.471 1.00 44.25 H new ATOM 0 HA SER A 50 8.108 -18.064 25.336 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.634 -15.765 26.528 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.940 -15.807 26.975 1.00 24.20 H new ATOM 0 HG SER A 50 8.292 -16.823 28.561 1.00 2.44 H new ATOM 758 N THR A 51 5.617 -18.298 26.509 1.00 5.13 N ATOM 759 CA THR A 51 4.254 -18.793 26.650 1.00 65.34 C ATOM 760 C THR A 51 3.347 -17.739 27.274 1.00 50.11 C ATOM 761 O THR A 51 3.812 -16.853 27.994 1.00 60.11 O ATOM 762 CB THR A 51 4.207 -20.069 27.512 1.00 55.53 C ATOM 763 OG1 THR A 51 5.511 -20.655 27.593 1.00 72.33 O ATOM 764 CG2 THR A 51 3.228 -21.080 26.931 1.00 1.44 C ATOM 0 H THR A 51 6.222 -18.493 27.307 1.00 5.13 H new ATOM 0 HA THR A 51 3.898 -19.027 25.647 1.00 65.34 H new ATOM 0 HB THR A 51 3.870 -19.792 28.511 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.472 -21.464 28.144 1.00 72.33 H new ATOM 0 HG21 THR A 51 3.212 -21.972 27.557 1.00 1.44 H new ATOM 0 HG22 THR A 51 2.230 -20.643 26.898 1.00 1.44 H new ATOM 0 HG23 THR A 51 3.540 -21.350 25.922 1.00 1.44 H new ATOM 772 N LEU A 52 2.052 -17.839 26.996 1.00 33.00 N ATOM 773 CA LEU A 52 1.079 -16.893 27.531 1.00 60.43 C ATOM 774 C LEU A 52 -0.064 -17.624 28.230 1.00 61.44 C ATOM 775 O LEU A 52 -0.645 -18.560 27.680 1.00 62.04 O ATOM 776 CB LEU A 52 0.525 -16.011 26.409 1.00 25.32 C ATOM 777 CG LEU A 52 1.418 -14.853 25.964 1.00 24.22 C ATOM 778 CD1 LEU A 52 2.460 -15.335 24.967 1.00 0.43 C ATOM 779 CD2 LEU A 52 0.581 -13.734 25.363 1.00 44.14 C ATOM 0 H LEU A 52 1.651 -18.566 26.403 1.00 33.00 H new ATOM 0 HA LEU A 52 1.585 -16.264 28.263 1.00 60.43 H new ATOM 0 HB2 LEU A 52 0.324 -16.642 25.543 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.432 -15.602 26.734 1.00 25.32 H new ATOM 0 HG LEU A 52 1.936 -14.462 26.840 1.00 24.22 H new ATOM 0 HD11 LEU A 52 3.086 -14.497 24.662 1.00 0.43 H new ATOM 0 HD12 LEU A 52 3.081 -16.102 25.431 1.00 0.43 H new ATOM 0 HD13 LEU A 52 1.961 -15.753 24.093 1.00 0.43 H new ATOM 0 HD21 LEU A 52 1.234 -12.918 25.052 1.00 44.14 H new ATOM 0 HD22 LEU A 52 0.035 -14.112 24.498 1.00 44.14 H new ATOM 0 HD23 LEU A 52 -0.127 -13.369 26.107 1.00 44.14 H new ATOM 791 N LYS A 53 -0.381 -17.189 29.444 1.00 74.15 N ATOM 792 CA LYS A 53 -1.456 -17.798 30.219 1.00 74.21 C ATOM 793 C LYS A 53 -2.732 -16.967 30.127 1.00 31.10 C ATOM 794 O LYS A 53 -2.744 -15.790 30.492 1.00 13.00 O ATOM 795 CB LYS A 53 -1.037 -17.949 31.682 1.00 14.13 C ATOM 796 CG LYS A 53 -2.124 -18.527 32.571 1.00 13.04 C ATOM 797 CD LYS A 53 -1.587 -18.893 33.944 1.00 71.31 C ATOM 798 CE LYS A 53 -1.905 -17.817 34.971 1.00 44.24 C ATOM 799 NZ LYS A 53 -0.983 -17.875 36.139 1.00 24.22 N1+ ATOM 0 H LYS A 53 0.091 -16.416 29.913 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.656 -18.785 29.802 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.157 -18.591 31.735 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.744 -16.973 32.069 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.932 -17.803 32.677 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.549 -19.412 32.098 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -2.018 -19.842 34.264 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.508 -19.036 33.888 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -1.836 -16.836 34.502 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -2.933 -17.935 35.314 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -1.233 -17.126 36.816 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -1.067 -18.802 36.602 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -0.004 -17.737 35.816 1.00 24.22 H new ATOM 813 N ILE A 54 -3.802 -17.584 29.639 1.00 64.31 N ATOM 814 CA ILE A 54 -5.082 -16.901 29.503 1.00 34.23 C ATOM 815 C ILE A 54 -6.153 -17.564 30.362 1.00 24.45 C ATOM 816 O ILE A 54 -6.475 -18.738 30.178 1.00 52.53 O ATOM 817 CB ILE A 54 -5.556 -16.880 28.038 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.383 -16.575 27.104 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.666 -15.855 27.855 1.00 55.33 C ATOM 820 CD1 ILE A 54 -3.714 -17.814 26.551 1.00 73.40 C ATOM 0 H ILE A 54 -3.808 -18.556 29.331 1.00 64.31 H new ATOM 0 HA ILE A 54 -4.930 -15.876 29.842 1.00 34.23 H new ATOM 0 HB ILE A 54 -5.951 -17.864 27.785 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.739 -15.963 26.275 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.644 -15.983 27.643 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -6.990 -15.852 26.814 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.508 -16.112 28.497 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.295 -14.865 28.122 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -2.892 -17.523 25.897 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -3.328 -18.417 27.373 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -4.440 -18.397 25.983 1.00 73.40 H new ATOM 832 N THR A 55 -6.705 -16.803 31.303 1.00 53.10 N ATOM 833 CA THR A 55 -7.740 -17.315 32.191 1.00 62.11 C ATOM 834 C THR A 55 -9.058 -16.578 31.982 1.00 50.41 C ATOM 835 O THR A 55 -9.073 -15.375 31.717 1.00 11.34 O ATOM 836 CB THR A 55 -7.326 -17.192 33.669 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.245 -15.812 34.041 1.00 12.50 O ATOM 838 CG2 THR A 55 -5.984 -17.867 33.912 1.00 13.32 C ATOM 0 H THR A 55 -6.451 -15.829 31.469 1.00 53.10 H new ATOM 0 HA THR A 55 -7.872 -18.369 31.945 1.00 62.11 H new ATOM 0 HB THR A 55 -8.081 -17.689 34.278 1.00 60.51 H new ATOM 0 HG1 THR A 55 -6.983 -15.742 34.983 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.712 -17.768 34.963 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.056 -18.924 33.654 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.221 -17.394 33.293 1.00 13.32 H new ATOM 846 N TYR A 56 -10.164 -17.305 32.103 1.00 11.42 N ATOM 847 CA TYR A 56 -11.487 -16.719 31.926 1.00 11.02 C ATOM 848 C TYR A 56 -12.377 -17.010 33.130 1.00 62.40 C ATOM 849 O TYR A 56 -12.200 -18.015 33.819 1.00 41.44 O ATOM 850 CB TYR A 56 -12.141 -17.259 30.652 1.00 44.12 C ATOM 851 CG TYR A 56 -11.275 -17.116 29.421 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.213 -17.980 29.189 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.522 -16.117 28.487 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.419 -17.852 28.066 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.735 -15.983 27.360 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.685 -16.852 27.154 1.00 31.42 C ATOM 857 OH TYR A 56 -8.898 -16.723 26.033 1.00 41.25 O ATOM 0 H TYR A 56 -10.170 -18.301 32.323 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.369 -15.639 31.836 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.383 -18.312 30.796 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.083 -16.735 30.487 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.004 -18.766 29.899 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.343 -15.434 28.645 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.595 -18.531 27.903 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -10.941 -15.201 26.644 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.565 -17.605 25.764 1.00 41.25 H new ATOM 867 N ILE A 57 -13.335 -16.123 33.377 1.00 62.21 N ATOM 868 CA ILE A 57 -14.255 -16.283 34.496 1.00 35.22 C ATOM 869 C ILE A 57 -15.489 -17.078 34.084 1.00 41.02 C ATOM 870 O ILE A 57 -16.347 -16.579 33.357 1.00 74.23 O ATOM 871 CB ILE A 57 -14.700 -14.922 35.060 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.755 -15.116 36.150 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.239 -14.037 33.945 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.177 -13.827 36.820 1.00 34.03 C ATOM 0 H ILE A 57 -13.494 -15.286 32.817 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.716 -16.828 35.271 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.835 -14.429 35.503 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.633 -15.593 35.714 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.364 -15.797 36.906 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.550 -13.078 34.360 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.460 -13.875 33.200 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.094 -14.523 33.476 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -16.927 -14.041 37.582 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.310 -13.358 37.286 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.599 -13.151 36.076 1.00 34.03 H new ATOM 886 N GLY A 58 -15.573 -18.319 34.555 1.00 41.22 N ATOM 887 CA GLY A 58 -16.707 -19.162 34.226 1.00 34.45 C ATOM 888 C GLY A 58 -16.292 -20.456 33.554 1.00 45.03 C ATOM 889 O GLY A 58 -16.710 -21.539 33.966 1.00 23.42 O ATOM 0 H GLY A 58 -14.876 -18.755 35.158 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.262 -19.390 35.136 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.383 -18.616 33.569 1.00 34.45 H new ATOM 893 N TYR A 59 -15.468 -20.346 32.519 1.00 61.23 N ATOM 894 CA TYR A 59 -15.000 -21.516 31.787 1.00 30.13 C ATOM 895 C TYR A 59 -13.560 -21.855 32.164 1.00 1.25 C ATOM 896 O TYR A 59 -12.889 -21.087 32.855 1.00 60.34 O ATOM 897 CB TYR A 59 -15.099 -21.274 30.280 1.00 42.25 C ATOM 898 CG TYR A 59 -16.521 -21.184 29.773 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.032 -22.142 28.906 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.353 -20.142 30.161 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.330 -22.064 28.440 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.653 -20.056 29.702 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.137 -21.019 28.841 1.00 4.31 C ATOM 904 OH TYR A 59 -20.431 -20.937 28.380 1.00 24.41 O ATOM 0 H TYR A 59 -15.110 -19.458 32.168 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.636 -22.359 32.056 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.575 -20.350 30.034 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.586 -22.081 29.757 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.403 -22.962 28.591 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -16.977 -19.385 30.834 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.711 -22.817 27.766 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.287 -19.240 30.015 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.863 -20.143 28.758 1.00 24.41 H new ATOM 914 N LYS A 60 -13.092 -23.011 31.706 1.00 52.23 N ATOM 915 CA LYS A 60 -11.733 -23.454 31.993 1.00 72.32 C ATOM 916 C LYS A 60 -10.712 -22.566 31.289 1.00 51.35 C ATOM 917 O LYS A 60 -10.935 -22.082 30.179 1.00 73.04 O ATOM 918 CB LYS A 60 -11.546 -24.909 31.558 1.00 13.13 C ATOM 919 CG LYS A 60 -12.130 -25.915 32.534 1.00 75.30 C ATOM 920 CD LYS A 60 -11.550 -27.304 32.317 1.00 4.44 C ATOM 921 CE LYS A 60 -11.743 -28.186 33.540 1.00 2.10 C ATOM 922 NZ LYS A 60 -10.792 -27.837 34.631 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.634 -23.658 31.134 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.573 -23.380 33.069 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -12.011 -25.050 30.582 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.481 -25.109 31.436 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -11.929 -25.591 33.555 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -13.213 -25.950 32.418 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -12.027 -27.768 31.454 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -10.487 -27.224 32.089 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -12.766 -28.084 33.903 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -11.607 -29.230 33.260 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -10.825 -28.570 35.368 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -9.828 -27.777 34.245 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -11.058 -26.920 35.043 1.00 3.41 H new ATOM 936 N PRO A 61 -9.563 -22.348 31.946 1.00 20.42 N ATOM 937 CA PRO A 61 -8.484 -21.520 31.400 1.00 52.34 C ATOM 938 C PRO A 61 -7.792 -22.178 30.211 1.00 43.11 C ATOM 939 O PRO A 61 -8.052 -23.339 29.894 1.00 71.32 O ATOM 940 CB PRO A 61 -7.513 -21.383 32.575 1.00 12.55 C ATOM 941 CG PRO A 61 -7.765 -22.585 33.417 1.00 64.21 C ATOM 942 CD PRO A 61 -9.230 -22.893 33.273 1.00 62.33 C ATOM 0 HA PRO A 61 -8.854 -20.567 31.021 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.479 -21.350 32.232 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.694 -20.464 33.133 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.155 -23.427 33.088 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.507 -22.393 34.459 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.423 -23.964 33.328 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.819 -22.423 34.060 1.00 62.33 H new ATOM 950 N VAL A 62 -6.909 -21.430 29.558 1.00 41.12 N ATOM 951 CA VAL A 62 -6.179 -21.942 28.405 1.00 22.22 C ATOM 952 C VAL A 62 -4.807 -21.287 28.288 1.00 13.54 C ATOM 953 O VAL A 62 -4.645 -20.101 28.581 1.00 74.11 O ATOM 954 CB VAL A 62 -6.959 -21.709 27.097 1.00 23.31 C ATOM 955 CG1 VAL A 62 -8.357 -22.299 27.198 1.00 24.54 C ATOM 956 CG2 VAL A 62 -7.019 -20.225 26.770 1.00 33.21 C ATOM 0 H VAL A 62 -6.682 -20.467 29.808 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.056 -23.014 28.560 1.00 22.22 H new ATOM 0 HB VAL A 62 -6.435 -22.215 26.286 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -8.894 -22.125 26.265 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -8.287 -23.371 27.382 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -8.894 -21.824 28.019 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -7.574 -20.079 25.843 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -7.519 -19.694 27.580 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.007 -19.837 26.652 1.00 33.21 H new ATOM 966 N THR A 63 -3.818 -22.066 27.859 1.00 11.33 N ATOM 967 CA THR A 63 -2.460 -21.563 27.704 1.00 11.40 C ATOM 968 C THR A 63 -1.964 -21.749 26.275 1.00 54.21 C ATOM 969 O THR A 63 -2.138 -22.813 25.680 1.00 35.44 O ATOM 970 CB THR A 63 -1.487 -22.267 28.668 1.00 13.53 C ATOM 971 OG1 THR A 63 -1.570 -23.687 28.499 1.00 22.11 O ATOM 972 CG2 THR A 63 -1.799 -21.905 30.112 1.00 60.11 C ATOM 0 H THR A 63 -3.934 -23.049 27.613 1.00 11.33 H new ATOM 0 HA THR A 63 -2.489 -20.499 27.940 1.00 11.40 H new ATOM 0 HB THR A 63 -0.476 -21.932 28.436 1.00 13.53 H new ATOM 0 HG1 THR A 63 -0.947 -24.127 29.114 1.00 22.11 H new ATOM 0 HG21 THR A 63 -1.099 -22.414 30.774 1.00 60.11 H new ATOM 0 HG22 THR A 63 -1.706 -20.827 30.245 1.00 60.11 H new ATOM 0 HG23 THR A 63 -2.816 -22.214 30.353 1.00 60.11 H new ATOM 980 N VAL A 64 -1.345 -20.708 25.728 1.00 54.51 N ATOM 981 CA VAL A 64 -0.822 -20.758 24.368 1.00 53.21 C ATOM 982 C VAL A 64 0.354 -19.803 24.196 1.00 13.32 C ATOM 983 O VAL A 64 0.515 -18.854 24.964 1.00 10.04 O ATOM 984 CB VAL A 64 -1.909 -20.406 23.334 1.00 74.21 C ATOM 985 CG1 VAL A 64 -2.889 -21.559 23.178 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.634 -19.131 23.738 1.00 14.45 C ATOM 0 H VAL A 64 -1.193 -19.820 26.206 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.485 -21.780 24.197 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.429 -20.235 22.370 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.650 -21.293 22.444 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.355 -22.448 22.841 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.366 -21.764 24.137 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.398 -18.897 22.997 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -3.104 -19.272 24.711 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.920 -18.309 23.795 1.00 14.45 H new ATOM 996 N LYS A 65 1.174 -20.059 23.183 1.00 23.50 N ATOM 997 CA LYS A 65 2.336 -19.222 22.907 1.00 33.44 C ATOM 998 C LYS A 65 1.938 -17.986 22.106 1.00 51.13 C ATOM 999 O LYS A 65 0.910 -17.978 21.429 1.00 14.12 O ATOM 1000 CB LYS A 65 3.394 -20.019 22.141 1.00 53.40 C ATOM 1001 CG LYS A 65 2.938 -20.474 20.766 1.00 44.43 C ATOM 1002 CD LYS A 65 4.105 -20.962 19.924 1.00 43.14 C ATOM 1003 CE LYS A 65 4.475 -22.397 20.265 1.00 1.42 C ATOM 1004 NZ LYS A 65 5.737 -22.819 19.594 1.00 70.32 N1+ ATOM 0 H LYS A 65 1.055 -20.841 22.538 1.00 23.50 H new ATOM 0 HA LYS A 65 2.753 -18.898 23.860 1.00 33.44 H new ATOM 0 HB2 LYS A 65 4.290 -19.407 22.033 1.00 53.40 H new ATOM 0 HB3 LYS A 65 3.674 -20.893 22.729 1.00 53.40 H new ATOM 0 HG2 LYS A 65 2.205 -21.274 20.871 1.00 44.43 H new ATOM 0 HG3 LYS A 65 2.440 -19.650 20.256 1.00 44.43 H new ATOM 0 HD2 LYS A 65 3.847 -20.893 18.867 1.00 43.14 H new ATOM 0 HD3 LYS A 65 4.967 -20.315 20.085 1.00 43.14 H new ATOM 0 HE2 LYS A 65 4.587 -22.496 21.345 1.00 1.42 H new ATOM 0 HE3 LYS A 65 3.665 -23.062 19.966 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 5.955 -23.803 19.852 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 5.622 -22.748 18.563 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 6.516 -22.201 19.899 1.00 70.32 H new ATOM 1018 N ALA A 66 2.760 -16.945 22.188 1.00 25.33 N ATOM 1019 CA ALA A 66 2.495 -15.705 21.468 1.00 72.41 C ATOM 1020 C ALA A 66 2.705 -15.885 19.968 1.00 62.14 C ATOM 1021 O ALA A 66 3.662 -16.528 19.539 1.00 13.22 O ATOM 1022 CB ALA A 66 3.382 -14.588 21.996 1.00 71.52 C ATOM 0 H ALA A 66 3.614 -16.935 22.745 1.00 25.33 H new ATOM 0 HA ALA A 66 1.452 -15.435 21.633 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.173 -13.668 21.449 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.180 -14.434 23.056 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.429 -14.860 21.862 1.00 71.52 H new ATOM 1028 N ALA A 67 1.803 -15.315 19.177 1.00 60.43 N ATOM 1029 CA ALA A 67 1.891 -15.411 17.725 1.00 33.34 C ATOM 1030 C ALA A 67 0.984 -14.386 17.051 1.00 63.13 C ATOM 1031 O ALA A 67 0.332 -13.585 17.720 1.00 55.04 O ATOM 1032 CB ALA A 67 1.531 -16.818 17.267 1.00 32.31 C ATOM 0 H ALA A 67 1.003 -14.782 19.517 1.00 60.43 H new ATOM 0 HA ALA A 67 2.919 -15.196 17.433 1.00 33.34 H new ATOM 0 HB1 ALA A 67 1.601 -16.876 16.181 1.00 32.31 H new ATOM 0 HB2 ALA A 67 2.221 -17.534 17.714 1.00 32.31 H new ATOM 0 HB3 ALA A 67 0.513 -17.053 17.578 1.00 32.31 H new ATOM 1038 N ALA A 68 0.949 -14.419 15.723 1.00 60.23 N ATOM 1039 CA ALA A 68 0.122 -13.493 14.958 1.00 73.13 C ATOM 1040 C ALA A 68 -1.359 -13.719 15.240 1.00 2.42 C ATOM 1041 O ALA A 68 -2.065 -12.809 15.674 1.00 53.41 O ATOM 1042 CB ALA A 68 0.407 -13.636 13.471 1.00 13.31 C ATOM 0 H ALA A 68 1.483 -15.076 15.155 1.00 60.23 H new ATOM 0 HA ALA A 68 0.373 -12.479 15.268 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.217 -12.939 12.912 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.457 -13.417 13.279 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.186 -14.655 13.154 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.825 -14.939 14.989 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.222 -15.285 15.216 1.00 43.13 C ATOM 1050 C ILE A 69 -3.347 -16.486 16.147 1.00 23.51 C ATOM 1051 O ILE A 69 -2.605 -17.460 16.025 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.947 -15.596 13.893 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.759 -14.448 12.900 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.426 -15.847 14.146 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -4.352 -14.725 11.536 1.00 23.11 C ATOM 0 H ILE A 69 -1.254 -15.704 14.628 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.690 -14.418 15.682 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.513 -16.498 13.462 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.215 -13.546 13.309 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.694 -14.245 12.790 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.925 -16.065 13.202 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.541 -16.695 14.822 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.874 -14.961 14.596 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -4.181 -13.868 10.884 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.879 -15.608 11.106 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -5.424 -14.899 11.634 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.293 -16.411 17.077 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.519 -17.493 18.029 1.00 74.42 C ATOM 1069 C VAL A 70 -6.003 -17.654 18.336 1.00 52.51 C ATOM 1070 O VAL A 70 -6.653 -16.724 18.812 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.756 -17.252 19.344 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.122 -15.897 19.933 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -4.041 -18.368 20.337 1.00 74.33 C ATOM 0 H VAL A 70 -4.916 -15.612 17.192 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.147 -18.406 17.565 1.00 74.42 H new ATOM 0 HB VAL A 70 -2.687 -17.252 19.129 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.573 -15.744 20.862 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -3.863 -15.110 19.225 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -5.193 -15.865 20.135 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -3.494 -18.182 21.261 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -5.110 -18.402 20.549 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -3.724 -19.321 19.914 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.534 -18.841 18.061 1.00 53.23 N ATOM 1084 CA ASN A 71 -7.943 -19.124 18.308 1.00 11.52 C ATOM 1085 C ASN A 71 -8.100 -20.280 19.292 1.00 55.40 C ATOM 1086 O ASN A 71 -7.801 -21.430 18.970 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.655 -19.457 16.996 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.795 -18.247 16.091 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -8.321 -18.251 14.955 1.00 10.31 O ATOM 1090 ND2 ASN A 71 -9.446 -17.206 16.594 1.00 50.40 N ATOM 0 H ASN A 71 -6.010 -19.622 17.667 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.396 -18.234 18.744 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.101 -20.237 16.473 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.644 -19.860 17.214 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -9.571 -16.363 16.033 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -9.822 -17.249 17.541 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.573 -19.967 20.494 1.00 51.53 N ATOM 1098 CA VAL A 72 -8.773 -20.978 21.526 1.00 24.20 C ATOM 1099 C VAL A 72 -10.246 -21.105 21.892 1.00 31.43 C ATOM 1100 O VAL A 72 -10.990 -20.123 21.874 1.00 20.30 O ATOM 1101 CB VAL A 72 -7.964 -20.652 22.795 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.038 -21.803 23.786 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.520 -20.333 22.440 1.00 24.11 C ATOM 0 H VAL A 72 -8.825 -19.020 20.778 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.422 -21.925 21.115 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.400 -19.771 23.266 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.460 -21.554 24.676 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.077 -21.977 24.065 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -7.629 -22.704 23.328 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -5.964 -20.105 23.349 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.069 -21.193 21.944 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.491 -19.472 21.772 1.00 24.11 H new ATOM 1113 N LEU A 73 -10.664 -22.320 22.226 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.051 -22.577 22.599 1.00 72.02 C ATOM 1115 C LEU A 73 -12.194 -22.703 24.113 1.00 3.23 C ATOM 1116 O LEU A 73 -11.393 -23.370 24.770 1.00 44.43 O ATOM 1117 CB LEU A 73 -12.555 -23.852 21.921 1.00 3.23 C ATOM 1118 CG LEU A 73 -12.765 -23.769 20.408 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -11.514 -24.225 19.671 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -13.966 -24.604 19.990 1.00 64.32 C ATOM 0 H LEU A 73 -10.063 -23.144 22.246 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.653 -21.732 22.264 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -11.845 -24.654 22.126 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -13.500 -24.137 22.384 1.00 3.23 H new ATOM 0 HG LEU A 73 -12.960 -22.730 20.143 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -11.681 -24.160 18.596 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -10.675 -23.586 19.948 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -11.288 -25.257 19.941 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.100 -24.533 18.911 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -13.800 -25.645 20.267 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -14.860 -24.233 20.492 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.219 -22.060 24.661 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.469 -22.102 26.098 1.00 22.25 C ATOM 1134 C LEU A 74 -14.330 -23.306 26.466 1.00 10.24 C ATOM 1135 O LEU A 74 -15.452 -23.449 25.983 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.154 -20.812 26.554 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.436 -20.021 27.648 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.035 -19.639 27.199 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.236 -18.782 28.022 1.00 34.41 C ATOM 0 H LEU A 74 -13.891 -21.503 24.132 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.509 -22.196 26.606 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.278 -20.164 25.686 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.153 -21.061 26.910 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.351 -20.654 28.531 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.540 -19.077 27.991 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.463 -20.542 26.983 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.096 -19.024 26.301 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.710 -18.231 28.802 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.353 -18.146 27.145 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.219 -19.080 28.388 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.796 -24.167 27.327 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.517 -25.358 27.762 1.00 73.42 C ATOM 1153 C GLU A 75 -15.235 -25.107 29.084 1.00 44.11 C ATOM 1154 O GLU A 75 -14.721 -24.410 29.958 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.555 -26.539 27.906 1.00 3.14 C ATOM 1156 CG GLU A 75 -12.885 -26.941 26.603 1.00 21.34 C ATOM 1157 CD GLU A 75 -13.663 -28.003 25.851 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -14.889 -28.102 26.064 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -13.046 -28.734 25.048 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.868 -24.062 27.737 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.263 -25.597 27.004 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.787 -26.284 28.636 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -14.101 -27.395 28.303 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -12.773 -26.061 25.970 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -11.882 -27.312 26.814 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.426 -25.680 29.222 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.215 -25.518 30.437 1.00 55.40 C ATOM 1168 C GLU A 76 -16.414 -25.935 31.667 1.00 52.44 C ATOM 1169 O GLU A 76 -15.663 -26.911 31.629 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.503 -26.340 30.350 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.297 -27.732 29.776 1.00 75.12 C ATOM 1172 CD GLU A 76 -19.409 -28.690 30.156 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -20.229 -28.332 31.028 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -19.461 -29.798 29.581 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.866 -26.260 28.508 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.472 -24.463 30.533 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.937 -26.427 31.346 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.225 -25.805 29.733 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -18.234 -27.667 28.690 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -17.345 -28.129 30.128 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.577 -25.191 32.754 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.871 -25.483 33.995 1.00 14.13 C ATOM 1183 C ASP A 77 -16.850 -25.654 35.152 1.00 2.45 C ATOM 1184 O ASP A 77 -17.608 -24.740 35.479 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.874 -24.366 34.315 1.00 0.41 C ATOM 1186 CG ASP A 77 -14.244 -24.528 35.684 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -13.784 -25.646 35.997 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -14.210 -23.536 36.443 1.00 33.42 O1- ATOM 0 H ASP A 77 -17.193 -24.379 32.801 1.00 24.14 H new ATOM 0 HA ASP A 77 -15.328 -26.418 33.862 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -14.091 -24.354 33.557 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -15.382 -23.403 34.264 1.00 0.41 H new ATOM 1193 N THR A 78 -16.831 -26.832 35.769 1.00 73.11 N ATOM 1194 CA THR A 78 -17.718 -27.123 36.887 1.00 32.45 C ATOM 1195 C THR A 78 -16.964 -27.801 38.026 1.00 35.21 C ATOM 1196 O THR A 78 -16.096 -28.641 37.792 1.00 74.43 O ATOM 1197 CB THR A 78 -18.890 -28.025 36.454 1.00 13.32 C ATOM 1198 OG1 THR A 78 -18.470 -28.902 35.402 1.00 10.33 O ATOM 1199 CG2 THR A 78 -20.071 -27.190 35.984 1.00 23.12 C ATOM 0 H THR A 78 -16.210 -27.600 35.512 1.00 73.11 H new ATOM 0 HA THR A 78 -18.112 -26.168 37.234 1.00 32.45 H new ATOM 0 HB THR A 78 -19.203 -28.615 37.315 1.00 13.32 H new ATOM 0 HG1 THR A 78 -19.220 -29.473 35.133 1.00 10.33 H new ATOM 0 HG21 THR A 78 -20.886 -27.849 35.684 1.00 23.12 H new ATOM 0 HG22 THR A 78 -20.407 -26.545 36.796 1.00 23.12 H new ATOM 0 HG23 THR A 78 -19.768 -26.577 35.135 1.00 23.12 H new ATOM 1207 N GLN A 79 -17.302 -27.431 39.256 1.00 71.11 N ATOM 1208 CA GLN A 79 -16.655 -28.004 40.431 1.00 23.05 C ATOM 1209 C GLN A 79 -17.590 -28.972 41.149 1.00 15.21 C ATOM 1210 O GLN A 79 -18.812 -28.839 41.075 1.00 62.32 O ATOM 1211 CB GLN A 79 -16.216 -26.895 41.389 1.00 33.22 C ATOM 1212 CG GLN A 79 -14.837 -26.334 41.078 1.00 21.24 C ATOM 1213 CD GLN A 79 -14.468 -25.165 41.970 1.00 23.50 C ATOM 1214 OE1 GLN A 79 -13.688 -25.310 42.911 1.00 74.23 O ATOM 1215 NE2 GLN A 79 -15.028 -23.998 41.678 1.00 4.20 N ATOM 0 H GLN A 79 -18.020 -26.737 39.466 1.00 71.11 H new ATOM 0 HA GLN A 79 -15.776 -28.556 40.098 1.00 23.05 H new ATOM 0 HB2 GLN A 79 -16.945 -26.086 41.353 1.00 33.22 H new ATOM 0 HB3 GLN A 79 -16.220 -27.283 42.408 1.00 33.22 H new ATOM 0 HG2 GLN A 79 -14.094 -27.123 41.193 1.00 21.24 H new ATOM 0 HG3 GLN A 79 -14.805 -26.015 40.036 1.00 21.24 H new ATOM 0 HE21 GLN A 79 -15.669 -23.923 40.888 1.00 4.20 H new ATOM 0 HE22 GLN A 79 -14.817 -23.176 42.243 1.00 4.20 H new ATOM 1224 N MET A 80 -17.008 -29.943 41.843 1.00 10.55 N ATOM 1225 CA MET A 80 -17.790 -30.933 42.575 1.00 33.12 C ATOM 1226 C MET A 80 -17.587 -30.782 44.079 1.00 54.10 C ATOM 1227 O MET A 80 -16.747 -31.457 44.673 1.00 32.25 O ATOM 1228 CB MET A 80 -17.403 -32.347 42.137 1.00 43.24 C ATOM 1229 CG MET A 80 -18.531 -33.356 42.276 1.00 33.52 C ATOM 1230 SD MET A 80 -18.494 -34.224 43.857 1.00 41.55 S ATOM 1231 CE MET A 80 -18.556 -35.928 43.309 1.00 74.23 C ATOM 0 H MET A 80 -15.998 -30.066 41.914 1.00 10.55 H new ATOM 0 HA MET A 80 -18.843 -30.766 42.349 1.00 33.12 H new ATOM 0 HB2 MET A 80 -17.077 -32.320 41.097 1.00 43.24 H new ATOM 0 HB3 MET A 80 -16.552 -32.682 42.730 1.00 43.24 H new ATOM 0 HG2 MET A 80 -19.487 -32.844 42.169 1.00 33.52 H new ATOM 0 HG3 MET A 80 -18.466 -34.082 41.465 1.00 33.52 H new ATOM 0 HE1 MET A 80 -18.540 -36.590 44.175 1.00 74.23 H new ATOM 0 HE2 MET A 80 -19.472 -36.095 42.742 1.00 74.23 H new ATOM 0 HE3 MET A 80 -17.694 -36.138 42.676 1.00 74.23 H new ATOM 1241 N VAL A 81 -18.361 -29.890 44.690 1.00 0.53 N ATOM 1242 CA VAL A 81 -18.266 -29.651 46.125 1.00 1.25 C ATOM 1243 C VAL A 81 -19.335 -28.669 46.590 1.00 62.43 C ATOM 1244 O VAL A 81 -19.555 -27.632 45.963 1.00 3.11 O ATOM 1245 CB VAL A 81 -16.879 -29.105 46.512 1.00 44.13 C ATOM 1246 CG1 VAL A 81 -16.626 -27.764 45.841 1.00 72.15 C ATOM 1247 CG2 VAL A 81 -16.758 -28.985 48.024 1.00 54.24 C ATOM 0 H VAL A 81 -19.061 -29.321 44.213 1.00 0.53 H new ATOM 0 HA VAL A 81 -18.420 -30.611 46.617 1.00 1.25 H new ATOM 0 HB VAL A 81 -16.121 -29.807 46.163 1.00 44.13 H new ATOM 0 HG11 VAL A 81 -15.641 -27.394 46.127 1.00 72.15 H new ATOM 0 HG12 VAL A 81 -16.668 -27.885 44.759 1.00 72.15 H new ATOM 0 HG13 VAL A 81 -17.387 -27.050 46.156 1.00 72.15 H new ATOM 0 HG21 VAL A 81 -15.772 -28.598 48.281 1.00 54.24 H new ATOM 0 HG22 VAL A 81 -17.523 -28.305 48.397 1.00 54.24 H new ATOM 0 HG23 VAL A 81 -16.892 -29.967 48.479 1.00 54.24 H new ATOM 1257 N ASP A 82 -19.996 -29.001 47.694 1.00 21.33 N ATOM 1258 CA ASP A 82 -21.042 -28.147 48.245 1.00 52.35 C ATOM 1259 C ASP A 82 -20.516 -26.736 48.495 1.00 42.13 C ATOM 1260 O ASP A 82 -19.452 -26.557 49.086 1.00 40.40 O ATOM 1261 CB ASP A 82 -21.583 -28.741 49.546 1.00 62.52 C ATOM 1262 CG ASP A 82 -22.763 -27.961 50.092 1.00 35.32 C ATOM 1263 OD1 ASP A 82 -22.699 -27.531 51.263 1.00 1.15 O ATOM 1264 OD2 ASP A 82 -23.749 -27.782 49.349 1.00 1.31 O1- ATOM 0 H ASP A 82 -19.826 -29.855 48.225 1.00 21.33 H new ATOM 0 HA ASP A 82 -21.851 -28.090 47.517 1.00 52.35 H new ATOM 0 HB2 ASP A 82 -21.883 -29.774 49.373 1.00 62.52 H new ATOM 0 HB3 ASP A 82 -20.788 -28.761 50.291 1.00 62.52 H new ATOM 1269 N GLU A 83 -21.270 -25.740 48.040 1.00 63.12 N ATOM 1270 CA GLU A 83 -20.878 -24.347 48.214 1.00 23.02 C ATOM 1271 C GLU A 83 -21.739 -23.667 49.274 1.00 10.51 C ATOM 1272 O GLU A 83 -22.751 -23.039 48.960 1.00 50.40 O ATOM 1273 CB GLU A 83 -20.993 -23.592 46.887 1.00 13.42 C ATOM 1274 CG GLU A 83 -20.486 -22.161 46.955 1.00 3.23 C ATOM 1275 CD GLU A 83 -19.128 -22.054 47.621 1.00 12.23 C ATOM 1276 OE1 GLU A 83 -18.107 -22.188 46.913 1.00 44.23 O ATOM 1277 OE2 GLU A 83 -19.086 -21.835 48.849 1.00 64.43 O1- ATOM 0 H GLU A 83 -22.154 -25.872 47.549 1.00 63.12 H new ATOM 0 HA GLU A 83 -19.840 -24.328 48.547 1.00 23.02 H new ATOM 0 HB2 GLU A 83 -20.433 -24.131 46.122 1.00 13.42 H new ATOM 0 HB3 GLU A 83 -22.037 -23.584 46.572 1.00 13.42 H new ATOM 0 HG2 GLU A 83 -20.425 -21.753 45.946 1.00 3.23 H new ATOM 0 HG3 GLU A 83 -21.204 -21.551 47.503 1.00 3.23 H new ATOM 1284 N VAL A 84 -21.331 -23.797 50.533 1.00 23.40 N ATOM 1285 CA VAL A 84 -22.064 -23.196 51.640 1.00 2.42 C ATOM 1286 C VAL A 84 -22.152 -21.682 51.484 1.00 11.52 C ATOM 1287 O VAL A 84 -21.335 -21.070 50.797 1.00 34.13 O ATOM 1288 CB VAL A 84 -21.404 -23.525 52.993 1.00 24.22 C ATOM 1289 CG1 VAL A 84 -21.676 -24.970 53.383 1.00 14.11 C ATOM 1290 CG2 VAL A 84 -19.909 -23.251 52.937 1.00 53.25 C ATOM 0 H VAL A 84 -20.496 -24.313 50.811 1.00 23.40 H new ATOM 0 HA VAL A 84 -23.069 -23.618 51.621 1.00 2.42 H new ATOM 0 HB VAL A 84 -21.840 -22.880 53.756 1.00 24.22 H new ATOM 0 HG11 VAL A 84 -21.202 -25.184 54.341 1.00 14.11 H new ATOM 0 HG12 VAL A 84 -22.751 -25.128 53.467 1.00 14.11 H new ATOM 0 HG13 VAL A 84 -21.270 -25.635 52.621 1.00 14.11 H new ATOM 0 HG21 VAL A 84 -19.459 -23.489 53.901 1.00 53.25 H new ATOM 0 HG22 VAL A 84 -19.455 -23.869 52.162 1.00 53.25 H new ATOM 0 HG23 VAL A 84 -19.740 -22.199 52.708 1.00 53.25 H new ATOM 1300 N VAL A 85 -23.149 -21.084 52.128 1.00 23.03 N ATOM 1301 CA VAL A 85 -23.343 -19.640 52.062 1.00 53.43 C ATOM 1302 C VAL A 85 -22.065 -18.896 52.435 1.00 23.44 C ATOM 1303 O VAL A 85 -21.393 -19.243 53.406 1.00 52.44 O ATOM 1304 CB VAL A 85 -24.480 -19.183 52.996 1.00 31.15 C ATOM 1305 CG1 VAL A 85 -24.187 -19.588 54.432 1.00 62.05 C ATOM 1306 CG2 VAL A 85 -24.687 -17.680 52.888 1.00 13.25 C ATOM 0 H VAL A 85 -23.834 -21.576 52.701 1.00 23.03 H new ATOM 0 HA VAL A 85 -23.611 -19.404 51.032 1.00 53.43 H new ATOM 0 HB VAL A 85 -25.401 -19.676 52.686 1.00 31.15 H new ATOM 0 HG11 VAL A 85 -25.001 -19.257 55.077 1.00 62.05 H new ATOM 0 HG12 VAL A 85 -24.094 -20.672 54.493 1.00 62.05 H new ATOM 0 HG13 VAL A 85 -23.255 -19.126 54.758 1.00 62.05 H new ATOM 0 HG21 VAL A 85 -25.494 -17.375 53.554 1.00 13.25 H new ATOM 0 HG22 VAL A 85 -23.769 -17.165 53.170 1.00 13.25 H new ATOM 0 HG23 VAL A 85 -24.947 -17.421 51.862 1.00 13.25 H new ATOM 1316 N VAL A 86 -21.737 -17.869 51.657 1.00 13.51 N ATOM 1317 CA VAL A 86 -20.541 -17.074 51.905 1.00 11.22 C ATOM 1318 C VAL A 86 -20.902 -15.662 52.353 1.00 63.12 C ATOM 1319 O VAL A 86 -22.076 -15.293 52.394 1.00 25.30 O ATOM 1320 CB VAL A 86 -19.651 -16.991 50.651 1.00 50.12 C ATOM 1321 CG1 VAL A 86 -19.038 -18.348 50.340 1.00 3.22 C ATOM 1322 CG2 VAL A 86 -20.451 -16.473 49.465 1.00 73.01 C ATOM 0 H VAL A 86 -22.283 -17.568 50.850 1.00 13.51 H new ATOM 0 HA VAL A 86 -19.989 -17.574 52.700 1.00 11.22 H new ATOM 0 HB VAL A 86 -18.840 -16.290 50.847 1.00 50.12 H new ATOM 0 HG11 VAL A 86 -18.413 -18.270 49.451 1.00 3.22 H new ATOM 0 HG12 VAL A 86 -18.430 -18.675 51.184 1.00 3.22 H new ATOM 0 HG13 VAL A 86 -19.832 -19.074 50.162 1.00 3.22 H new ATOM 0 HG21 VAL A 86 -19.807 -16.420 48.587 1.00 73.01 H new ATOM 0 HG22 VAL A 86 -21.283 -17.148 49.265 1.00 73.01 H new ATOM 0 HG23 VAL A 86 -20.836 -15.479 49.692 1.00 73.01 H new ATOM 1332 N THR A 87 -19.885 -14.874 52.688 1.00 32.30 N ATOM 1333 CA THR A 87 -20.095 -13.503 53.133 1.00 63.34 C ATOM 1334 C THR A 87 -20.705 -12.652 52.025 1.00 32.24 C ATOM 1335 O THR A 87 -20.966 -13.140 50.927 1.00 11.13 O ATOM 1336 CB THR A 87 -18.777 -12.854 53.596 1.00 65.24 C ATOM 1337 OG1 THR A 87 -17.741 -13.117 52.643 1.00 1.23 O ATOM 1338 CG2 THR A 87 -18.364 -13.383 54.961 1.00 64.13 C ATOM 0 H THR A 87 -18.907 -15.163 52.659 1.00 32.30 H new ATOM 0 HA THR A 87 -20.785 -13.547 53.975 1.00 63.34 H new ATOM 0 HB THR A 87 -18.934 -11.778 53.674 1.00 65.24 H new ATOM 0 HG1 THR A 87 -16.907 -12.700 52.943 1.00 1.23 H new ATOM 0 HG21 THR A 87 -17.431 -12.910 55.267 1.00 64.13 H new ATOM 0 HG22 THR A 87 -19.142 -13.156 55.690 1.00 64.13 H new ATOM 0 HG23 THR A 87 -18.223 -14.462 54.905 1.00 64.13 H new ATOM 1346 N GLY A 88 -20.931 -11.376 52.321 1.00 61.42 N ATOM 1347 CA GLY A 88 -21.508 -10.477 51.339 1.00 23.00 C ATOM 1348 C GLY A 88 -20.484 -9.975 50.340 1.00 61.32 C ATOM 1349 O GLY A 88 -19.300 -9.865 50.657 1.00 11.31 O ATOM 0 H GLY A 88 -20.725 -10.949 53.224 1.00 61.42 H new ATOM 0 HA2 GLY A 88 -22.309 -10.991 50.807 1.00 23.00 H new ATOM 0 HA3 GLY A 88 -21.959 -9.627 51.850 1.00 23.00 H new ATOM 1353 N TYR A 89 -20.941 -9.673 49.129 1.00 75.33 N ATOM 1354 CA TYR A 89 -20.055 -9.184 48.079 1.00 31.00 C ATOM 1355 C TYR A 89 -19.976 -7.660 48.097 1.00 2.11 C ATOM 1356 O TYR A 89 -20.884 -6.985 48.585 1.00 10.14 O ATOM 1357 CB TYR A 89 -20.541 -9.664 46.710 1.00 63.35 C ATOM 1358 CG TYR A 89 -19.490 -9.567 45.627 1.00 22.31 C ATOM 1359 CD1 TYR A 89 -19.476 -8.497 44.739 1.00 11.32 C ATOM 1360 CD2 TYR A 89 -18.512 -10.544 45.491 1.00 75.11 C ATOM 1361 CE1 TYR A 89 -18.518 -8.405 43.748 1.00 30.34 C ATOM 1362 CE2 TYR A 89 -17.550 -10.459 44.503 1.00 50.14 C ATOM 1363 CZ TYR A 89 -17.557 -9.388 43.634 1.00 73.01 C ATOM 1364 OH TYR A 89 -16.601 -9.301 42.648 1.00 13.23 O ATOM 0 H TYR A 89 -21.919 -9.758 48.851 1.00 75.33 H new ATOM 0 HA TYR A 89 -19.058 -9.583 48.265 1.00 31.00 H new ATOM 0 HB2 TYR A 89 -20.871 -10.700 46.793 1.00 63.35 H new ATOM 0 HB3 TYR A 89 -21.410 -9.076 46.415 1.00 63.35 H new ATOM 0 HD1 TYR A 89 -20.226 -7.725 44.826 1.00 11.32 H new ATOM 0 HD2 TYR A 89 -18.503 -11.384 46.169 1.00 75.11 H new ATOM 0 HE1 TYR A 89 -18.521 -7.568 43.066 1.00 30.34 H new ATOM 0 HE2 TYR A 89 -16.796 -11.227 44.412 1.00 50.14 H new ATOM 0 HH TYR A 89 -16.000 -10.073 42.707 1.00 13.23 H new ATOM 1374 N THR A 90 -18.884 -7.124 47.563 1.00 63.13 N ATOM 1375 CA THR A 90 -18.684 -5.681 47.518 1.00 73.03 C ATOM 1376 C THR A 90 -19.019 -5.122 46.140 1.00 22.02 C ATOM 1377 O THR A 90 -19.330 -3.940 45.997 1.00 3.25 O ATOM 1378 CB THR A 90 -17.233 -5.303 47.873 1.00 65.23 C ATOM 1379 OG1 THR A 90 -16.322 -6.211 47.243 1.00 50.24 O ATOM 1380 CG2 THR A 90 -17.022 -5.329 49.380 1.00 14.03 C ATOM 0 H THR A 90 -18.124 -7.668 47.155 1.00 63.13 H new ATOM 0 HA THR A 90 -19.357 -5.246 48.257 1.00 73.03 H new ATOM 0 HB THR A 90 -17.045 -4.292 47.512 1.00 65.23 H new ATOM 0 HG1 THR A 90 -15.402 -5.963 47.472 1.00 50.24 H new ATOM 0 HG21 THR A 90 -15.991 -5.059 49.608 1.00 14.03 H new ATOM 0 HG22 THR A 90 -17.697 -4.616 49.854 1.00 14.03 H new ATOM 0 HG23 THR A 90 -17.227 -6.330 49.759 1.00 14.03 H new TER 1388 THR A 90