USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 891 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 88 ASN : amide:sc= 2.77 K(o=4.4,f=-2!) USER MOD Set 1.2: A 90 THR OG1 : rot -49:sc= 1.6 USER MOD Set 2.1: A 41 CYS SG : rot -67:sc= 0.201 USER MOD Set 2.2: A 43 ASN : amide:sc= 0.247 K(o=0.45,f=-7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 CYS SG : rot 16:sc= 0.11 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0669 USER MOD Single : A 14 MET CE :methyl 146:sc= -0.287 (180deg=-0.556) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -39:sc= 0.417 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.579 F(o=0,f=0.58) USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= 0.929 (180deg=-0.11!) USER MOD Single : A 36 SER OG : rot 180:sc= 0.00743 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 163:sc= -0.0151 (180deg=-0.22) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 13:sc= 1.14 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.919 K(o=0.92,f=-0.14) USER MOD Single : A 62 THR OG1 : rot -19:sc= 0.135 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 40:sc= 1.11 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.61 K(o=-0.61,f=-8.8!) USER MOD Single : A 82 LYS NZ :NH3+ 145:sc= 0.897 (180deg=0.538) USER MOD Single : A 86 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.12) USER MOD Single : A 91 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.68) USER MOD Single : A 93 SER OG : rot 180:sc= 0.0463 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -160:sc= -0.734 USER MOD Single : A 99 CYS SG : rot 19:sc= 0.323 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 160:sc= -0.0199 (180deg=-0.259) USER MOD Single : A 113 GLN : amide:sc= 0.663 K(o=0.66,f=-1.3) USER MOD Single : A 117 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.079) USER MOD Single : A 118 GLN : amide:sc= 1.14 K(o=1.1,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.508 26.516 -16.475 1.00 14.41 N ATOM 2 CA GLY A 1 -9.942 26.371 -15.083 1.00 3.54 C ATOM 3 C GLY A 1 -10.655 27.614 -14.625 1.00 31.13 C ATOM 4 O GLY A 1 -11.846 27.734 -14.911 1.00 3.31 O ATOM 0 H1 GLY A 1 -9.017 25.650 -16.778 1.00 14.41 H new ATOM 0 H2 GLY A 1 -10.337 26.674 -17.082 1.00 14.41 H new ATOM 0 H3 GLY A 1 -8.861 27.326 -16.554 1.00 14.41 H new ATOM 0 HA2 GLY A 1 -10.603 25.509 -14.989 1.00 3.54 H new ATOM 0 HA3 GLY A 1 -9.079 26.182 -14.444 1.00 3.54 H new ATOM 8 N CYS A 2 -9.951 28.511 -13.916 1.00 21.24 N ATOM 9 CA CYS A 2 -10.504 29.712 -13.277 1.00 45.10 C ATOM 10 C CYS A 2 -11.817 29.384 -12.555 1.00 24.13 C ATOM 11 O CYS A 2 -12.808 30.103 -12.653 1.00 63.23 O ATOM 12 CB CYS A 2 -10.531 30.931 -14.223 1.00 44.34 C ATOM 13 SG CYS A 2 -11.159 30.575 -15.893 1.00 12.34 S ATOM 0 H CYS A 2 -8.946 28.415 -13.768 1.00 21.24 H new ATOM 0 HA CYS A 2 -9.826 30.042 -12.490 1.00 45.10 H new ATOM 0 HB2 CYS A 2 -11.148 31.710 -13.775 1.00 44.34 H new ATOM 0 HB3 CYS A 2 -9.521 31.333 -14.306 1.00 44.34 H new ATOM 0 HG CYS A 2 -11.784 29.435 -15.888 1.00 12.34 H new ATOM 19 N GLU A 3 -11.822 28.229 -11.890 1.00 13.31 N ATOM 20 CA GLU A 3 -13.007 27.559 -11.398 1.00 52.43 C ATOM 21 C GLU A 3 -13.191 27.928 -9.932 1.00 23.51 C ATOM 22 O GLU A 3 -12.243 27.868 -9.140 1.00 64.42 O ATOM 23 CB GLU A 3 -12.907 26.050 -11.688 1.00 54.10 C ATOM 24 CG GLU A 3 -11.646 25.315 -11.185 1.00 73.02 C ATOM 25 CD GLU A 3 -11.373 24.054 -12.018 1.00 11.14 C ATOM 26 OE1 GLU A 3 -10.934 24.183 -13.187 1.00 11.22 O ATOM 27 OE2 GLU A 3 -11.608 22.917 -11.542 1.00 34.14 O ATOM 0 H GLU A 3 -10.963 27.722 -11.675 1.00 13.31 H new ATOM 0 HA GLU A 3 -13.911 27.885 -11.913 1.00 52.43 H new ATOM 0 HB2 GLU A 3 -13.778 25.564 -11.250 1.00 54.10 H new ATOM 0 HB3 GLU A 3 -12.972 25.909 -12.767 1.00 54.10 H new ATOM 0 HG2 GLU A 3 -10.786 25.983 -11.238 1.00 73.02 H new ATOM 0 HG3 GLU A 3 -11.774 25.042 -10.137 1.00 73.02 H new ATOM 34 N LEU A 4 -14.398 28.384 -9.595 1.00 54.40 N ATOM 35 CA LEU A 4 -14.761 28.761 -8.237 1.00 21.43 C ATOM 36 C LEU A 4 -14.621 27.542 -7.329 1.00 65.43 C ATOM 37 O LEU A 4 -14.874 26.410 -7.738 1.00 24.11 O ATOM 38 CB LEU A 4 -16.164 29.398 -8.203 1.00 11.13 C ATOM 39 CG LEU A 4 -17.337 28.461 -8.582 1.00 5.31 C ATOM 40 CD1 LEU A 4 -18.009 27.842 -7.350 1.00 11.43 C ATOM 41 CD2 LEU A 4 -18.395 29.244 -9.372 1.00 71.23 C ATOM 0 H LEU A 4 -15.156 28.502 -10.267 1.00 54.40 H new ATOM 0 HA LEU A 4 -14.084 29.528 -7.861 1.00 21.43 H new ATOM 0 HB2 LEU A 4 -16.343 29.786 -7.200 1.00 11.13 H new ATOM 0 HB3 LEU A 4 -16.172 30.252 -8.881 1.00 11.13 H new ATOM 0 HG LEU A 4 -16.919 27.656 -9.186 1.00 5.31 H new ATOM 0 HD11 LEU A 4 -18.825 27.193 -7.668 1.00 11.43 H new ATOM 0 HD12 LEU A 4 -17.278 27.258 -6.792 1.00 11.43 H new ATOM 0 HD13 LEU A 4 -18.403 28.635 -6.714 1.00 11.43 H new ATOM 0 HD21 LEU A 4 -19.218 28.579 -9.636 1.00 71.23 H new ATOM 0 HD22 LEU A 4 -18.772 30.064 -8.761 1.00 71.23 H new ATOM 0 HD23 LEU A 4 -17.947 29.645 -10.281 1.00 71.23 H new ATOM 53 N SER A 5 -14.147 27.767 -6.113 1.00 33.44 N ATOM 54 CA SER A 5 -13.988 26.779 -5.055 1.00 71.21 C ATOM 55 C SER A 5 -13.812 27.585 -3.762 1.00 50.23 C ATOM 56 O SER A 5 -13.614 28.805 -3.821 1.00 32.14 O ATOM 57 CB SER A 5 -12.797 25.823 -5.321 1.00 41.10 C ATOM 58 OG SER A 5 -12.153 26.022 -6.577 1.00 45.12 O ATOM 0 H SER A 5 -13.846 28.697 -5.821 1.00 33.44 H new ATOM 0 HA SER A 5 -14.855 26.121 -4.993 1.00 71.21 H new ATOM 0 HB2 SER A 5 -12.062 25.947 -4.526 1.00 41.10 H new ATOM 0 HB3 SER A 5 -13.153 24.794 -5.268 1.00 41.10 H new ATOM 0 HG SER A 5 -11.414 25.385 -6.670 1.00 45.12 H new ATOM 64 N ASP A 6 -13.895 26.940 -2.602 1.00 5.04 N ATOM 65 CA ASP A 6 -13.646 27.621 -1.333 1.00 41.32 C ATOM 66 C ASP A 6 -12.142 27.938 -1.258 1.00 64.50 C ATOM 67 O ASP A 6 -11.343 27.109 -1.710 1.00 71.12 O ATOM 68 CB ASP A 6 -14.092 26.695 -0.196 1.00 50.22 C ATOM 69 CG ASP A 6 -14.586 27.477 1.014 1.00 71.33 C ATOM 70 OD1 ASP A 6 -15.698 28.039 0.923 1.00 63.44 O ATOM 71 OD2 ASP A 6 -13.939 27.422 2.083 1.00 30.44 O ATOM 0 H ASP A 6 -14.131 25.952 -2.513 1.00 5.04 H new ATOM 0 HA ASP A 6 -14.203 28.554 -1.249 1.00 41.32 H new ATOM 0 HB2 ASP A 6 -14.886 26.039 -0.553 1.00 50.22 H new ATOM 0 HB3 ASP A 6 -13.260 26.057 0.100 1.00 50.22 H new ATOM 76 N PRO A 7 -11.698 29.074 -0.688 1.00 10.24 N ATOM 77 CA PRO A 7 -10.344 29.581 -0.938 1.00 54.11 C ATOM 78 C PRO A 7 -9.254 28.681 -0.355 1.00 45.43 C ATOM 79 O PRO A 7 -8.194 28.529 -0.964 1.00 41.42 O ATOM 80 CB PRO A 7 -10.303 30.989 -0.332 1.00 23.24 C ATOM 81 CG PRO A 7 -11.438 30.978 0.692 1.00 30.12 C ATOM 82 CD PRO A 7 -12.474 30.058 0.048 1.00 71.10 C ATOM 0 HA PRO A 7 -10.137 29.599 -2.008 1.00 54.11 H new ATOM 0 HB2 PRO A 7 -9.341 31.194 0.139 1.00 23.24 H new ATOM 0 HB3 PRO A 7 -10.456 31.756 -1.091 1.00 23.24 H new ATOM 0 HG2 PRO A 7 -11.106 30.598 1.658 1.00 30.12 H new ATOM 0 HG3 PRO A 7 -11.837 31.978 0.863 1.00 30.12 H new ATOM 0 HD2 PRO A 7 -13.102 29.582 0.801 1.00 71.10 H new ATOM 0 HD3 PRO A 7 -13.137 30.614 -0.615 1.00 71.10 H new ATOM 90 N ASP A 8 -9.546 28.069 0.791 1.00 70.44 N ATOM 91 CA ASP A 8 -8.689 27.147 1.531 1.00 4.41 C ATOM 92 C ASP A 8 -9.535 25.959 1.996 1.00 53.00 C ATOM 93 O ASP A 8 -9.237 25.325 3.009 1.00 73.24 O ATOM 94 CB ASP A 8 -8.020 27.873 2.712 1.00 12.11 C ATOM 95 CG ASP A 8 -6.831 28.709 2.262 1.00 21.23 C ATOM 96 OD1 ASP A 8 -5.775 28.119 1.937 1.00 52.14 O ATOM 97 OD2 ASP A 8 -6.941 29.956 2.282 1.00 72.32 O ATOM 0 H ASP A 8 -10.443 28.213 1.256 1.00 70.44 H new ATOM 0 HA ASP A 8 -7.889 26.776 0.891 1.00 4.41 H new ATOM 0 HB2 ASP A 8 -8.750 28.515 3.204 1.00 12.11 H new ATOM 0 HB3 ASP A 8 -7.691 27.141 3.449 1.00 12.11 H new ATOM 102 N GLY A 9 -10.630 25.664 1.289 1.00 42.43 N ATOM 103 CA GLY A 9 -11.507 24.540 1.571 1.00 11.22 C ATOM 104 C GLY A 9 -11.568 23.634 0.354 1.00 45.12 C ATOM 105 O GLY A 9 -12.598 23.559 -0.317 1.00 32.22 O ATOM 0 H GLY A 9 -10.932 26.217 0.487 1.00 42.43 H new ATOM 0 HA2 GLY A 9 -11.140 23.985 2.434 1.00 11.22 H new ATOM 0 HA3 GLY A 9 -12.505 24.897 1.823 1.00 11.22 H new ATOM 109 N LEU A 10 -10.455 22.968 0.053 1.00 31.45 N ATOM 110 CA LEU A 10 -10.331 21.911 -0.918 1.00 31.41 C ATOM 111 C LEU A 10 -9.831 20.678 -0.164 1.00 74.50 C ATOM 112 O LEU A 10 -9.352 20.799 0.969 1.00 43.10 O ATOM 113 CB LEU A 10 -9.384 22.276 -2.069 1.00 24.25 C ATOM 114 CG LEU A 10 -8.062 22.963 -1.697 1.00 22.22 C ATOM 115 CD1 LEU A 10 -6.974 22.668 -2.734 1.00 33.54 C ATOM 116 CD2 LEU A 10 -8.293 24.478 -1.651 1.00 10.05 C ATOM 0 H LEU A 10 -9.569 23.173 0.515 1.00 31.45 H new ATOM 0 HA LEU A 10 -11.297 21.725 -1.387 1.00 31.41 H new ATOM 0 HB2 LEU A 10 -9.148 21.363 -2.616 1.00 24.25 H new ATOM 0 HB3 LEU A 10 -9.923 22.929 -2.756 1.00 24.25 H new ATOM 0 HG LEU A 10 -7.734 22.584 -0.729 1.00 22.22 H new ATOM 0 HD11 LEU A 10 -6.050 23.168 -2.444 1.00 33.54 H new ATOM 0 HD12 LEU A 10 -6.804 21.593 -2.787 1.00 33.54 H new ATOM 0 HD13 LEU A 10 -7.293 23.034 -3.710 1.00 33.54 H new ATOM 0 HD21 LEU A 10 -7.362 24.980 -1.388 1.00 10.05 H new ATOM 0 HD22 LEU A 10 -8.629 24.825 -2.628 1.00 10.05 H new ATOM 0 HD23 LEU A 10 -9.053 24.708 -0.904 1.00 10.05 H new ATOM 128 N ALA A 11 -9.884 19.507 -0.795 1.00 71.50 N ATOM 129 CA ALA A 11 -9.092 18.372 -0.355 1.00 41.30 C ATOM 130 C ALA A 11 -7.735 18.459 -1.042 1.00 10.02 C ATOM 131 O ALA A 11 -7.654 18.910 -2.188 1.00 53.24 O ATOM 132 CB ALA A 11 -9.777 17.070 -0.756 1.00 1.34 C ATOM 0 H ALA A 11 -10.468 19.324 -1.611 1.00 71.50 H new ATOM 0 HA ALA A 11 -8.981 18.388 0.729 1.00 41.30 H new ATOM 0 HB1 ALA A 11 -9.176 16.225 -0.422 1.00 1.34 H new ATOM 0 HB2 ALA A 11 -10.763 17.020 -0.293 1.00 1.34 H new ATOM 0 HB3 ALA A 11 -9.883 17.034 -1.840 1.00 1.34 H new ATOM 138 N ASP A 12 -6.696 17.910 -0.421 1.00 62.33 N ATOM 139 CA ASP A 12 -5.392 17.693 -1.052 1.00 23.54 C ATOM 140 C ASP A 12 -4.953 16.238 -0.848 1.00 10.05 C ATOM 141 O ASP A 12 -5.557 15.554 -0.022 1.00 44.04 O ATOM 142 CB ASP A 12 -4.351 18.685 -0.492 1.00 21.13 C ATOM 143 CG ASP A 12 -3.637 19.512 -1.574 1.00 33.33 C ATOM 144 OD1 ASP A 12 -4.121 19.595 -2.730 1.00 33.35 O ATOM 145 OD2 ASP A 12 -2.515 19.995 -1.293 1.00 25.41 O ATOM 0 H ASP A 12 -6.733 17.598 0.549 1.00 62.33 H new ATOM 0 HA ASP A 12 -5.474 17.876 -2.123 1.00 23.54 H new ATOM 0 HB2 ASP A 12 -4.846 19.363 0.203 1.00 21.13 H new ATOM 0 HB3 ASP A 12 -3.606 18.131 0.080 1.00 21.13 H new ATOM 150 N PRO A 13 -3.964 15.713 -1.591 1.00 61.50 N ATOM 151 CA PRO A 13 -3.517 14.328 -1.464 1.00 11.11 C ATOM 152 C PRO A 13 -2.559 14.134 -0.284 1.00 72.43 C ATOM 153 O PRO A 13 -2.018 15.087 0.285 1.00 61.21 O ATOM 154 CB PRO A 13 -2.808 14.017 -2.784 1.00 63.11 C ATOM 155 CG PRO A 13 -2.220 15.371 -3.159 1.00 45.13 C ATOM 156 CD PRO A 13 -3.331 16.325 -2.744 1.00 70.34 C ATOM 0 HA PRO A 13 -4.359 13.663 -1.271 1.00 11.11 H new ATOM 0 HB2 PRO A 13 -2.036 13.257 -2.662 1.00 63.11 H new ATOM 0 HB3 PRO A 13 -3.500 13.650 -3.542 1.00 63.11 H new ATOM 0 HG2 PRO A 13 -1.290 15.573 -2.628 1.00 45.13 H new ATOM 0 HG3 PRO A 13 -2.000 15.439 -4.224 1.00 45.13 H new ATOM 0 HD2 PRO A 13 -2.930 17.308 -2.495 1.00 70.34 H new ATOM 0 HD3 PRO A 13 -4.047 16.468 -3.554 1.00 70.34 H new ATOM 164 N MET A 14 -2.286 12.873 0.045 1.00 71.13 N ATOM 165 CA MET A 14 -1.203 12.459 0.929 1.00 31.23 C ATOM 166 C MET A 14 0.150 12.605 0.244 1.00 10.14 C ATOM 167 O MET A 14 0.277 12.342 -0.951 1.00 21.51 O ATOM 168 CB MET A 14 -1.451 11.071 1.539 1.00 74.23 C ATOM 169 CG MET A 14 -2.397 10.183 0.738 1.00 74.54 C ATOM 170 SD MET A 14 -2.584 8.509 1.390 1.00 73.33 S ATOM 171 CE MET A 14 -3.209 8.813 3.052 1.00 14.21 C ATOM 0 H MET A 14 -2.831 12.087 -0.309 1.00 71.13 H new ATOM 0 HA MET A 14 -1.182 13.137 1.782 1.00 31.23 H new ATOM 0 HB2 MET A 14 -0.495 10.559 1.643 1.00 74.23 H new ATOM 0 HB3 MET A 14 -1.856 11.197 2.543 1.00 74.23 H new ATOM 0 HG2 MET A 14 -3.378 10.657 0.703 1.00 74.54 H new ATOM 0 HG3 MET A 14 -2.036 10.121 -0.288 1.00 74.54 H new ATOM 0 HE1 MET A 14 -3.900 8.018 3.332 1.00 14.21 H new ATOM 0 HE2 MET A 14 -2.377 8.835 3.755 1.00 14.21 H new ATOM 0 HE3 MET A 14 -3.729 9.770 3.076 1.00 14.21 H new ATOM 181 N LYS A 15 1.148 13.058 1.011 1.00 25.53 N ATOM 182 CA LYS A 15 2.490 13.375 0.528 1.00 53.42 C ATOM 183 C LYS A 15 3.527 12.694 1.402 1.00 72.54 C ATOM 184 O LYS A 15 3.778 13.082 2.549 1.00 21.23 O ATOM 185 CB LYS A 15 2.730 14.885 0.456 1.00 65.30 C ATOM 186 CG LYS A 15 1.839 15.584 -0.578 1.00 21.14 C ATOM 187 CD LYS A 15 2.240 17.041 -0.862 1.00 62.41 C ATOM 188 CE LYS A 15 1.864 18.015 0.263 1.00 3.33 C ATOM 189 NZ LYS A 15 1.590 19.371 -0.267 1.00 10.23 N ATOM 0 H LYS A 15 1.038 13.218 2.012 1.00 25.53 H new ATOM 0 HA LYS A 15 2.583 12.995 -0.489 1.00 53.42 H new ATOM 0 HB2 LYS A 15 2.551 15.323 1.438 1.00 65.30 H new ATOM 0 HB3 LYS A 15 3.776 15.070 0.211 1.00 65.30 H new ATOM 0 HG2 LYS A 15 1.870 15.020 -1.510 1.00 21.14 H new ATOM 0 HG3 LYS A 15 0.807 15.563 -0.227 1.00 21.14 H new ATOM 0 HD2 LYS A 15 3.317 17.087 -1.025 1.00 62.41 H new ATOM 0 HD3 LYS A 15 1.763 17.366 -1.787 1.00 62.41 H new ATOM 0 HE2 LYS A 15 0.985 17.644 0.789 1.00 3.33 H new ATOM 0 HE3 LYS A 15 2.674 18.064 0.991 1.00 3.33 H new ATOM 0 HZ1 LYS A 15 1.339 20.006 0.517 1.00 10.23 H new ATOM 0 HZ2 LYS A 15 2.438 19.734 -0.748 1.00 10.23 H new ATOM 0 HZ3 LYS A 15 0.801 19.327 -0.943 1.00 10.23 H new ATOM 203 N TRP A 16 4.115 11.649 0.849 1.00 74.32 N ATOM 204 CA TRP A 16 4.947 10.694 1.552 1.00 13.25 C ATOM 205 C TRP A 16 6.403 11.142 1.478 1.00 11.14 C ATOM 206 O TRP A 16 6.944 11.301 0.380 1.00 13.44 O ATOM 207 CB TRP A 16 4.736 9.316 0.927 1.00 43.13 C ATOM 208 CG TRP A 16 3.315 8.842 0.894 1.00 5.02 C ATOM 209 CD1 TRP A 16 2.448 9.025 -0.127 1.00 1.22 C ATOM 210 CD2 TRP A 16 2.581 8.087 1.903 1.00 63.51 C ATOM 211 NE1 TRP A 16 1.249 8.414 0.168 1.00 74.10 N ATOM 212 CE2 TRP A 16 1.280 7.799 1.401 1.00 34.13 C ATOM 213 CE3 TRP A 16 2.899 7.586 3.181 1.00 4.42 C ATOM 214 CZ2 TRP A 16 0.362 7.023 2.124 1.00 22.14 C ATOM 215 CZ3 TRP A 16 1.968 6.849 3.938 1.00 63.31 C ATOM 216 CH2 TRP A 16 0.694 6.573 3.411 1.00 4.44 C ATOM 0 H TRP A 16 4.021 11.435 -0.144 1.00 74.32 H new ATOM 0 HA TRP A 16 4.676 10.637 2.606 1.00 13.25 H new ATOM 0 HB2 TRP A 16 5.120 9.335 -0.093 1.00 43.13 H new ATOM 0 HB3 TRP A 16 5.332 8.589 1.479 1.00 43.13 H new ATOM 0 HD1 TRP A 16 2.663 9.568 -1.036 1.00 1.22 H new ATOM 0 HE1 TRP A 16 0.438 8.416 -0.450 1.00 74.10 H new ATOM 0 HE3 TRP A 16 3.881 7.772 3.590 1.00 4.42 H new ATOM 0 HZ2 TRP A 16 -0.596 6.773 1.692 1.00 22.14 H new ATOM 0 HZ3 TRP A 16 2.233 6.496 4.924 1.00 63.31 H new ATOM 0 HH2 TRP A 16 -0.026 6.017 3.994 1.00 4.44 H new ATOM 227 N SER A 17 7.042 11.347 2.634 1.00 52.11 N ATOM 228 CA SER A 17 8.450 11.741 2.721 1.00 5.03 C ATOM 229 C SER A 17 9.401 10.561 2.912 1.00 1.35 C ATOM 230 O SER A 17 10.614 10.768 2.959 1.00 21.31 O ATOM 231 CB SER A 17 8.631 12.738 3.862 1.00 11.12 C ATOM 232 OG SER A 17 9.883 13.380 3.748 1.00 64.42 O ATOM 0 H SER A 17 6.592 11.243 3.543 1.00 52.11 H new ATOM 0 HA SER A 17 8.709 12.197 1.765 1.00 5.03 H new ATOM 0 HB2 SER A 17 7.831 13.478 3.840 1.00 11.12 H new ATOM 0 HB3 SER A 17 8.563 12.223 4.820 1.00 11.12 H new ATOM 0 HG SER A 17 10.556 12.734 3.448 1.00 64.42 H new ATOM 238 N LYS A 18 8.874 9.351 3.046 1.00 45.11 N ATOM 239 CA LYS A 18 9.618 8.108 3.004 1.00 74.21 C ATOM 240 C LYS A 18 8.747 7.237 2.119 1.00 22.52 C ATOM 241 O LYS A 18 7.556 7.138 2.418 1.00 52.31 O ATOM 242 CB LYS A 18 9.771 7.534 4.427 1.00 73.54 C ATOM 243 CG LYS A 18 11.156 6.922 4.624 1.00 32.22 C ATOM 244 CD LYS A 18 12.216 8.019 4.823 1.00 74.11 C ATOM 245 CE LYS A 18 13.510 7.608 4.115 1.00 64.14 C ATOM 246 NZ LYS A 18 14.688 8.378 4.576 1.00 53.44 N ATOM 0 H LYS A 18 7.875 9.208 3.193 1.00 45.11 H new ATOM 0 HA LYS A 18 10.636 8.199 2.625 1.00 74.21 H new ATOM 0 HB2 LYS A 18 9.611 8.324 5.161 1.00 73.54 H new ATOM 0 HB3 LYS A 18 9.007 6.777 4.602 1.00 73.54 H new ATOM 0 HG2 LYS A 18 11.146 6.259 5.489 1.00 32.22 H new ATOM 0 HG3 LYS A 18 11.415 6.312 3.758 1.00 32.22 H new ATOM 0 HD2 LYS A 18 11.855 8.966 4.423 1.00 74.11 H new ATOM 0 HD3 LYS A 18 12.402 8.172 5.886 1.00 74.11 H new ATOM 0 HE2 LYS A 18 13.688 6.546 4.282 1.00 64.14 H new ATOM 0 HE3 LYS A 18 13.390 7.746 3.040 1.00 64.14 H new ATOM 0 HZ1 LYS A 18 15.534 8.058 4.063 1.00 53.44 H new ATOM 0 HZ2 LYS A 18 14.534 9.390 4.393 1.00 53.44 H new ATOM 0 HZ3 LYS A 18 14.824 8.227 5.596 1.00 53.44 H new ATOM 260 N VAL A 19 9.294 6.688 1.044 1.00 24.34 N ATOM 261 CA VAL A 19 8.685 5.650 0.220 1.00 42.43 C ATOM 262 C VAL A 19 9.816 4.702 -0.183 1.00 10.13 C ATOM 263 O VAL A 19 10.968 5.145 -0.266 1.00 44.30 O ATOM 264 CB VAL A 19 7.958 6.246 -1.012 1.00 52.12 C ATOM 265 CG1 VAL A 19 6.734 7.067 -0.597 1.00 41.33 C ATOM 266 CG2 VAL A 19 8.828 7.152 -1.896 1.00 42.43 C ATOM 0 H VAL A 19 10.216 6.965 0.706 1.00 24.34 H new ATOM 0 HA VAL A 19 7.913 5.115 0.774 1.00 42.43 H new ATOM 0 HB VAL A 19 7.678 5.367 -1.593 1.00 52.12 H new ATOM 0 HG11 VAL A 19 6.248 7.470 -1.485 1.00 41.33 H new ATOM 0 HG12 VAL A 19 6.034 6.429 -0.058 1.00 41.33 H new ATOM 0 HG13 VAL A 19 7.048 7.887 0.049 1.00 41.33 H new ATOM 0 HG21 VAL A 19 8.235 7.522 -2.732 1.00 42.43 H new ATOM 0 HG22 VAL A 19 9.191 7.995 -1.307 1.00 42.43 H new ATOM 0 HG23 VAL A 19 9.676 6.583 -2.277 1.00 42.43 H new ATOM 276 N PRO A 20 9.530 3.420 -0.449 1.00 1.21 N ATOM 277 CA PRO A 20 10.499 2.528 -1.060 1.00 31.24 C ATOM 278 C PRO A 20 10.832 3.047 -2.457 1.00 74.14 C ATOM 279 O PRO A 20 9.925 3.318 -3.249 1.00 50.23 O ATOM 280 CB PRO A 20 9.816 1.157 -1.104 1.00 65.13 C ATOM 281 CG PRO A 20 8.332 1.503 -1.123 1.00 11.05 C ATOM 282 CD PRO A 20 8.245 2.763 -0.284 1.00 54.00 C ATOM 0 HA PRO A 20 11.439 2.465 -0.511 1.00 31.24 H new ATOM 0 HB2 PRO A 20 10.108 0.591 -1.988 1.00 65.13 H new ATOM 0 HB3 PRO A 20 10.076 0.550 -0.237 1.00 65.13 H new ATOM 0 HG2 PRO A 20 7.974 1.673 -2.138 1.00 11.05 H new ATOM 0 HG3 PRO A 20 7.728 0.699 -0.702 1.00 11.05 H new ATOM 0 HD2 PRO A 20 7.429 3.404 -0.619 1.00 54.00 H new ATOM 0 HD3 PRO A 20 8.055 2.527 0.763 1.00 54.00 H new ATOM 290 N SER A 21 12.119 3.113 -2.796 1.00 62.11 N ATOM 291 CA SER A 21 12.589 3.476 -4.129 1.00 33.24 C ATOM 292 C SER A 21 11.978 2.585 -5.224 1.00 34.33 C ATOM 293 O SER A 21 11.928 3.005 -6.379 1.00 41.01 O ATOM 294 CB SER A 21 14.121 3.393 -4.160 1.00 30.31 C ATOM 295 OG SER A 21 14.681 4.003 -3.011 1.00 14.14 O ATOM 0 H SER A 21 12.875 2.912 -2.141 1.00 62.11 H new ATOM 0 HA SER A 21 12.266 4.496 -4.339 1.00 33.24 H new ATOM 0 HB2 SER A 21 14.432 2.350 -4.212 1.00 30.31 H new ATOM 0 HB3 SER A 21 14.498 3.883 -5.058 1.00 30.31 H new ATOM 0 HG SER A 21 15.658 3.938 -3.049 1.00 14.14 H new ATOM 301 N GLY A 22 11.493 1.384 -4.874 1.00 41.34 N ATOM 302 CA GLY A 22 10.855 0.452 -5.795 1.00 4.23 C ATOM 303 C GLY A 22 9.515 0.929 -6.353 1.00 12.44 C ATOM 304 O GLY A 22 9.057 0.375 -7.356 1.00 73.30 O ATOM 0 H GLY A 22 11.538 1.032 -3.918 1.00 41.34 H new ATOM 0 HA2 GLY A 22 11.533 0.261 -6.627 1.00 4.23 H new ATOM 0 HA3 GLY A 22 10.703 -0.498 -5.283 1.00 4.23 H new ATOM 308 N LEU A 23 8.882 1.931 -5.731 1.00 25.15 N ATOM 309 CA LEU A 23 7.701 2.613 -6.240 1.00 44.30 C ATOM 310 C LEU A 23 7.982 3.187 -7.627 1.00 73.21 C ATOM 311 O LEU A 23 8.884 4.007 -7.804 1.00 41.01 O ATOM 312 CB LEU A 23 7.254 3.696 -5.243 1.00 14.13 C ATOM 313 CG LEU A 23 5.980 4.440 -5.705 1.00 12.23 C ATOM 314 CD1 LEU A 23 5.027 4.652 -4.529 1.00 54.20 C ATOM 315 CD2 LEU A 23 6.303 5.807 -6.318 1.00 51.20 C ATOM 0 H LEU A 23 9.193 2.296 -4.831 1.00 25.15 H new ATOM 0 HA LEU A 23 6.881 1.902 -6.344 1.00 44.30 H new ATOM 0 HB2 LEU A 23 7.070 3.237 -4.272 1.00 14.13 H new ATOM 0 HB3 LEU A 23 8.062 4.416 -5.108 1.00 14.13 H new ATOM 0 HG LEU A 23 5.512 3.815 -6.465 1.00 12.23 H new ATOM 0 HD11 LEU A 23 4.136 5.177 -4.873 1.00 54.20 H new ATOM 0 HD12 LEU A 23 4.741 3.686 -4.114 1.00 54.20 H new ATOM 0 HD13 LEU A 23 5.523 5.245 -3.761 1.00 54.20 H new ATOM 0 HD21 LEU A 23 5.379 6.294 -6.628 1.00 51.20 H new ATOM 0 HD22 LEU A 23 6.809 6.427 -5.578 1.00 51.20 H new ATOM 0 HD23 LEU A 23 6.951 5.673 -7.184 1.00 51.20 H new ATOM 327 N LYS A 24 7.183 2.775 -8.607 1.00 61.22 N ATOM 328 CA LYS A 24 7.097 3.322 -9.951 1.00 45.10 C ATOM 329 C LYS A 24 5.718 3.950 -10.067 1.00 44.34 C ATOM 330 O LYS A 24 4.760 3.275 -10.449 1.00 21.34 O ATOM 331 CB LYS A 24 7.335 2.222 -11.014 1.00 14.44 C ATOM 332 CG LYS A 24 8.708 2.332 -11.682 1.00 62.53 C ATOM 333 CD LYS A 24 8.791 3.541 -12.626 1.00 54.13 C ATOM 334 CE LYS A 24 10.215 3.657 -13.163 1.00 70.22 C ATOM 335 NZ LYS A 24 10.338 4.718 -14.176 1.00 11.45 N ATOM 0 H LYS A 24 6.537 1.998 -8.471 1.00 61.22 H new ATOM 0 HA LYS A 24 7.869 4.071 -10.131 1.00 45.10 H new ATOM 0 HB2 LYS A 24 7.242 1.243 -10.545 1.00 14.44 H new ATOM 0 HB3 LYS A 24 6.559 2.285 -11.776 1.00 14.44 H new ATOM 0 HG2 LYS A 24 9.479 2.416 -10.916 1.00 62.53 H new ATOM 0 HG3 LYS A 24 8.913 1.420 -12.242 1.00 62.53 H new ATOM 0 HD2 LYS A 24 8.087 3.424 -13.450 1.00 54.13 H new ATOM 0 HD3 LYS A 24 8.513 4.452 -12.096 1.00 54.13 H new ATOM 0 HE2 LYS A 24 10.898 3.862 -12.338 1.00 70.22 H new ATOM 0 HE3 LYS A 24 10.517 2.704 -13.598 1.00 70.22 H new ATOM 0 HZ1 LYS A 24 11.320 4.763 -14.514 1.00 11.45 H new ATOM 0 HZ2 LYS A 24 9.706 4.510 -14.975 1.00 11.45 H new ATOM 0 HZ3 LYS A 24 10.075 5.632 -13.755 1.00 11.45 H new ATOM 349 N ASN A 25 5.622 5.240 -9.736 1.00 21.11 N ATOM 350 CA ASN A 25 4.434 6.066 -9.969 1.00 65.14 C ATOM 351 C ASN A 25 3.169 5.567 -9.240 1.00 5.42 C ATOM 352 O ASN A 25 2.059 5.934 -9.611 1.00 51.22 O ATOM 353 CB ASN A 25 4.231 6.206 -11.491 1.00 22.43 C ATOM 354 CG ASN A 25 3.734 7.582 -11.895 1.00 13.22 C ATOM 355 OD1 ASN A 25 4.348 8.203 -12.881 1.00 24.15 O flip ATOM 356 ND2 ASN A 25 2.775 8.114 -11.347 1.00 70.11 N flip ATOM 0 H ASN A 25 6.384 5.750 -9.289 1.00 21.11 H new ATOM 0 HA ASN A 25 4.608 7.048 -9.530 1.00 65.14 H new ATOM 0 HB2 ASN A 25 5.174 6.002 -11.999 1.00 22.43 H new ATOM 0 HB3 ASN A 25 3.518 5.454 -11.828 1.00 22.43 H new ATOM 0 HD21 ASN A 25 2.296 7.638 -10.583 1.00 70.11 H new ATOM 0 HD22 ASN A 25 2.457 9.033 -11.655 1.00 70.11 H new ATOM 363 N GLY A 26 3.329 4.715 -8.222 1.00 71.41 N ATOM 364 CA GLY A 26 2.252 4.115 -7.437 1.00 13.24 C ATOM 365 C GLY A 26 2.199 2.598 -7.602 1.00 63.41 C ATOM 366 O GLY A 26 1.654 1.898 -6.756 1.00 21.42 O ATOM 0 H GLY A 26 4.253 4.414 -7.912 1.00 71.41 H new ATOM 0 HA2 GLY A 26 2.391 4.360 -6.384 1.00 13.24 H new ATOM 0 HA3 GLY A 26 1.298 4.546 -7.741 1.00 13.24 H new ATOM 370 N GLU A 27 2.803 2.043 -8.650 1.00 33.33 N ATOM 371 CA GLU A 27 3.012 0.609 -8.761 1.00 63.44 C ATOM 372 C GLU A 27 4.240 0.250 -7.928 1.00 62.34 C ATOM 373 O GLU A 27 5.180 1.040 -7.846 1.00 63.24 O ATOM 374 CB GLU A 27 3.244 0.270 -10.232 1.00 3.43 C ATOM 375 CG GLU A 27 3.209 -1.231 -10.547 1.00 54.11 C ATOM 376 CD GLU A 27 3.849 -1.567 -11.896 1.00 23.13 C ATOM 377 OE1 GLU A 27 4.588 -0.733 -12.475 1.00 62.53 O ATOM 378 OE2 GLU A 27 3.670 -2.701 -12.377 1.00 12.24 O ATOM 0 H GLU A 27 3.159 2.577 -9.443 1.00 33.33 H new ATOM 0 HA GLU A 27 2.151 0.048 -8.399 1.00 63.44 H new ATOM 0 HB2 GLU A 27 2.486 0.773 -10.833 1.00 3.43 H new ATOM 0 HB3 GLU A 27 4.211 0.671 -10.537 1.00 3.43 H new ATOM 0 HG2 GLU A 27 3.727 -1.776 -9.758 1.00 54.11 H new ATOM 0 HG3 GLU A 27 2.175 -1.574 -10.545 1.00 54.11 H new ATOM 385 N LEU A 28 4.274 -0.949 -7.356 1.00 5.20 N ATOM 386 CA LEU A 28 5.394 -1.478 -6.593 1.00 63.12 C ATOM 387 C LEU A 28 5.781 -2.797 -7.250 1.00 52.11 C ATOM 388 O LEU A 28 5.081 -3.797 -7.085 1.00 10.00 O ATOM 389 CB LEU A 28 5.010 -1.656 -5.110 1.00 22.40 C ATOM 390 CG LEU A 28 5.119 -0.418 -4.202 1.00 24.33 C ATOM 391 CD1 LEU A 28 6.575 0.000 -4.001 1.00 24.42 C ATOM 392 CD2 LEU A 28 4.311 0.801 -4.651 1.00 10.43 C ATOM 0 H LEU A 28 3.492 -1.602 -7.415 1.00 5.20 H new ATOM 0 HA LEU A 28 6.242 -0.793 -6.600 1.00 63.12 H new ATOM 0 HB2 LEU A 28 3.982 -2.016 -5.068 1.00 22.40 H new ATOM 0 HB3 LEU A 28 5.640 -2.440 -4.690 1.00 22.40 H new ATOM 0 HG LEU A 28 4.677 -0.750 -3.263 1.00 24.33 H new ATOM 0 HD11 LEU A 28 6.616 0.877 -3.355 1.00 24.42 H new ATOM 0 HD12 LEU A 28 7.128 -0.818 -3.538 1.00 24.42 H new ATOM 0 HD13 LEU A 28 7.021 0.239 -4.966 1.00 24.42 H new ATOM 0 HD21 LEU A 28 4.458 1.616 -3.942 1.00 10.43 H new ATOM 0 HD22 LEU A 28 4.645 1.115 -5.640 1.00 10.43 H new ATOM 0 HD23 LEU A 28 3.253 0.542 -4.691 1.00 10.43 H new ATOM 404 N LYS A 29 6.863 -2.787 -8.033 1.00 34.31 N ATOM 405 CA LYS A 29 7.414 -4.016 -8.603 1.00 70.53 C ATOM 406 C LYS A 29 8.045 -4.802 -7.458 1.00 53.24 C ATOM 407 O LYS A 29 8.794 -4.202 -6.679 1.00 65.35 O ATOM 408 CB LYS A 29 8.470 -3.696 -9.678 1.00 44.43 C ATOM 409 CG LYS A 29 8.059 -4.106 -11.101 1.00 43.14 C ATOM 410 CD LYS A 29 7.059 -3.129 -11.732 1.00 44.34 C ATOM 411 CE LYS A 29 6.693 -3.591 -13.148 1.00 54.13 C ATOM 412 NZ LYS A 29 6.097 -2.509 -13.961 1.00 25.54 N ATOM 0 H LYS A 29 7.374 -1.941 -8.286 1.00 34.31 H new ATOM 0 HA LYS A 29 6.627 -4.596 -9.085 1.00 70.53 H new ATOM 0 HB2 LYS A 29 8.674 -2.625 -9.664 1.00 44.43 H new ATOM 0 HB3 LYS A 29 9.401 -4.201 -9.420 1.00 44.43 H new ATOM 0 HG2 LYS A 29 8.948 -4.166 -11.729 1.00 43.14 H new ATOM 0 HG3 LYS A 29 7.620 -5.103 -11.075 1.00 43.14 H new ATOM 0 HD2 LYS A 29 6.161 -3.068 -11.117 1.00 44.34 H new ATOM 0 HD3 LYS A 29 7.489 -2.128 -11.767 1.00 44.34 H new ATOM 0 HE2 LYS A 29 7.587 -3.965 -13.647 1.00 54.13 H new ATOM 0 HE3 LYS A 29 5.991 -4.423 -13.085 1.00 54.13 H new ATOM 0 HZ1 LYS A 29 5.263 -2.872 -14.464 1.00 25.54 H new ATOM 0 HZ2 LYS A 29 5.812 -1.725 -13.340 1.00 25.54 H new ATOM 0 HZ3 LYS A 29 6.796 -2.168 -14.651 1.00 25.54 H new ATOM 426 N VAL A 30 7.756 -6.095 -7.346 1.00 51.13 N ATOM 427 CA VAL A 30 8.347 -6.953 -6.338 1.00 30.24 C ATOM 428 C VAL A 30 8.742 -8.262 -6.998 1.00 51.03 C ATOM 429 O VAL A 30 8.031 -8.815 -7.840 1.00 1.01 O ATOM 430 CB VAL A 30 7.364 -7.189 -5.183 1.00 61.23 C ATOM 431 CG1 VAL A 30 7.994 -7.973 -4.031 1.00 33.42 C ATOM 432 CG2 VAL A 30 6.848 -5.873 -4.587 1.00 41.34 C ATOM 0 H VAL A 30 7.099 -6.576 -7.960 1.00 51.13 H new ATOM 0 HA VAL A 30 9.231 -6.477 -5.914 1.00 30.24 H new ATOM 0 HB VAL A 30 6.547 -7.758 -5.627 1.00 61.23 H new ATOM 0 HG11 VAL A 30 7.257 -8.113 -3.240 1.00 33.42 H new ATOM 0 HG12 VAL A 30 8.327 -8.946 -4.392 1.00 33.42 H new ATOM 0 HG13 VAL A 30 8.847 -7.420 -3.638 1.00 33.42 H new ATOM 0 HG21 VAL A 30 6.156 -6.089 -3.773 1.00 41.34 H new ATOM 0 HG22 VAL A 30 7.688 -5.293 -4.205 1.00 41.34 H new ATOM 0 HG23 VAL A 30 6.333 -5.301 -5.359 1.00 41.34 H new ATOM 442 N GLU A 31 9.877 -8.773 -6.551 1.00 41.11 N ATOM 443 CA GLU A 31 10.442 -10.005 -7.045 1.00 54.04 C ATOM 444 C GLU A 31 9.822 -11.196 -6.301 1.00 11.20 C ATOM 445 O GLU A 31 9.102 -11.030 -5.310 1.00 61.53 O ATOM 446 CB GLU A 31 11.960 -9.906 -6.875 1.00 30.54 C ATOM 447 CG GLU A 31 12.381 -9.933 -5.399 1.00 34.54 C ATOM 448 CD GLU A 31 13.884 -9.777 -5.217 1.00 1.42 C ATOM 449 OE1 GLU A 31 14.651 -10.365 -6.006 1.00 50.34 O ATOM 450 OE2 GLU A 31 14.291 -9.102 -4.246 1.00 10.44 O ATOM 0 H GLU A 31 10.437 -8.331 -5.822 1.00 41.11 H new ATOM 0 HA GLU A 31 10.221 -10.166 -8.100 1.00 54.04 H new ATOM 0 HB2 GLU A 31 12.438 -10.732 -7.402 1.00 30.54 H new ATOM 0 HB3 GLU A 31 12.316 -8.985 -7.336 1.00 30.54 H new ATOM 0 HG2 GLU A 31 11.869 -9.133 -4.864 1.00 34.54 H new ATOM 0 HG3 GLU A 31 12.060 -10.873 -4.950 1.00 34.54 H new ATOM 457 N ALA A 32 10.167 -12.412 -6.719 1.00 34.23 N ATOM 458 CA ALA A 32 9.662 -13.645 -6.131 1.00 4.02 C ATOM 459 C ALA A 32 9.969 -13.795 -4.640 1.00 23.10 C ATOM 460 O ALA A 32 9.324 -14.598 -3.988 1.00 14.00 O ATOM 461 CB ALA A 32 10.290 -14.820 -6.876 1.00 41.03 C ATOM 0 H ALA A 32 10.817 -12.568 -7.490 1.00 34.23 H new ATOM 0 HA ALA A 32 8.576 -13.621 -6.225 1.00 4.02 H new ATOM 0 HB1 ALA A 32 9.926 -15.756 -6.452 1.00 41.03 H new ATOM 0 HB2 ALA A 32 10.019 -14.769 -7.930 1.00 41.03 H new ATOM 0 HB3 ALA A 32 11.375 -14.775 -6.778 1.00 41.03 H new ATOM 467 N GLU A 33 10.949 -13.082 -4.094 1.00 64.13 N ATOM 468 CA GLU A 33 11.404 -13.207 -2.709 1.00 71.44 C ATOM 469 C GLU A 33 10.541 -12.360 -1.792 1.00 5.00 C ATOM 470 O GLU A 33 10.315 -12.690 -0.629 1.00 11.01 O ATOM 471 CB GLU A 33 12.824 -12.668 -2.592 1.00 52.35 C ATOM 472 CG GLU A 33 13.808 -13.354 -3.531 1.00 64.13 C ATOM 473 CD GLU A 33 14.000 -14.839 -3.207 1.00 43.24 C ATOM 474 OE1 GLU A 33 14.263 -15.170 -2.027 1.00 25.34 O ATOM 475 OE2 GLU A 33 13.892 -15.655 -4.154 1.00 34.22 O ATOM 0 H GLU A 33 11.467 -12.377 -4.619 1.00 64.13 H new ATOM 0 HA GLU A 33 11.349 -14.259 -2.429 1.00 71.44 H new ATOM 0 HB2 GLU A 33 12.818 -11.598 -2.802 1.00 52.35 H new ATOM 0 HB3 GLU A 33 13.168 -12.789 -1.565 1.00 52.35 H new ATOM 0 HG2 GLU A 33 13.455 -13.253 -4.557 1.00 64.13 H new ATOM 0 HG3 GLU A 33 14.771 -12.847 -3.474 1.00 64.13 H new ATOM 482 N GLY A 34 10.109 -11.231 -2.340 1.00 53.12 N ATOM 483 CA GLY A 34 9.476 -10.174 -1.606 1.00 73.32 C ATOM 484 C GLY A 34 10.508 -9.412 -0.786 1.00 53.31 C ATOM 485 O GLY A 34 11.693 -9.758 -0.746 1.00 12.41 O ATOM 0 H GLY A 34 10.198 -11.033 -3.337 1.00 53.12 H new ATOM 0 HA2 GLY A 34 8.973 -9.494 -2.294 1.00 73.32 H new ATOM 0 HA3 GLY A 34 8.710 -10.586 -0.948 1.00 73.32 H new ATOM 489 N GLY A 35 10.061 -8.345 -0.142 1.00 23.53 N ATOM 490 CA GLY A 35 10.829 -7.630 0.864 1.00 73.34 C ATOM 491 C GLY A 35 9.899 -6.822 1.758 1.00 45.05 C ATOM 492 O GLY A 35 8.678 -6.834 1.584 1.00 54.13 O ATOM 0 H GLY A 35 9.137 -7.945 -0.307 1.00 23.53 H new ATOM 0 HA2 GLY A 35 11.401 -8.336 1.466 1.00 73.34 H new ATOM 0 HA3 GLY A 35 11.548 -6.968 0.381 1.00 73.34 H new ATOM 496 N SER A 36 10.468 -6.099 2.715 1.00 23.33 N ATOM 497 CA SER A 36 9.781 -5.022 3.413 1.00 52.44 C ATOM 498 C SER A 36 9.559 -3.827 2.480 1.00 13.01 C ATOM 499 O SER A 36 10.152 -3.754 1.398 1.00 51.42 O ATOM 500 CB SER A 36 10.622 -4.618 4.625 1.00 45.02 C ATOM 501 OG SER A 36 11.953 -4.311 4.235 1.00 54.12 O ATOM 0 H SER A 36 11.427 -6.246 3.030 1.00 23.33 H new ATOM 0 HA SER A 36 8.800 -5.362 3.744 1.00 52.44 H new ATOM 0 HB2 SER A 36 10.173 -3.753 5.113 1.00 45.02 H new ATOM 0 HB3 SER A 36 10.630 -5.428 5.354 1.00 45.02 H new ATOM 0 HG SER A 36 12.474 -4.053 5.024 1.00 54.12 H new ATOM 507 N SER A 37 8.741 -2.859 2.887 1.00 30.14 N ATOM 508 CA SER A 37 8.815 -1.474 2.442 1.00 11.12 C ATOM 509 C SER A 37 8.439 -0.541 3.607 1.00 74.45 C ATOM 510 O SER A 37 8.152 -1.024 4.701 1.00 64.54 O ATOM 511 CB SER A 37 7.979 -1.279 1.172 1.00 42.44 C ATOM 512 OG SER A 37 6.850 -2.129 1.047 1.00 10.30 O ATOM 0 H SER A 37 7.988 -3.024 3.555 1.00 30.14 H new ATOM 0 HA SER A 37 9.834 -1.210 2.158 1.00 11.12 H new ATOM 0 HB2 SER A 37 7.638 -0.244 1.138 1.00 42.44 H new ATOM 0 HB3 SER A 37 8.624 -1.431 0.307 1.00 42.44 H new ATOM 0 HG SER A 37 6.381 -1.929 0.210 1.00 10.30 H new ATOM 518 N LEU A 38 8.510 0.785 3.425 1.00 65.10 N ATOM 519 CA LEU A 38 8.128 1.774 4.434 1.00 3.43 C ATOM 520 C LEU A 38 7.625 3.032 3.735 1.00 12.43 C ATOM 521 O LEU A 38 8.320 3.561 2.869 1.00 52.30 O ATOM 522 CB LEU A 38 9.338 2.127 5.317 1.00 41.33 C ATOM 523 CG LEU A 38 9.106 3.306 6.282 1.00 14.33 C ATOM 524 CD1 LEU A 38 8.039 2.994 7.331 1.00 11.24 C ATOM 525 CD2 LEU A 38 10.413 3.642 7.000 1.00 24.35 C ATOM 0 H LEU A 38 8.841 1.204 2.556 1.00 65.10 H new ATOM 0 HA LEU A 38 7.341 1.359 5.064 1.00 3.43 H new ATOM 0 HB2 LEU A 38 9.616 1.248 5.899 1.00 41.33 H new ATOM 0 HB3 LEU A 38 10.185 2.363 4.673 1.00 41.33 H new ATOM 0 HG LEU A 38 8.760 4.150 5.685 1.00 14.33 H new ATOM 0 HD11 LEU A 38 7.911 3.855 7.987 1.00 11.24 H new ATOM 0 HD12 LEU A 38 7.094 2.773 6.834 1.00 11.24 H new ATOM 0 HD13 LEU A 38 8.350 2.131 7.920 1.00 11.24 H new ATOM 0 HD21 LEU A 38 10.249 4.476 7.683 1.00 24.35 H new ATOM 0 HD22 LEU A 38 10.752 2.773 7.564 1.00 24.35 H new ATOM 0 HD23 LEU A 38 11.171 3.917 6.266 1.00 24.35 H new ATOM 537 N PHE A 39 6.466 3.528 4.153 1.00 14.43 N ATOM 538 CA PHE A 39 5.809 4.724 3.658 1.00 4.04 C ATOM 539 C PHE A 39 5.495 5.601 4.875 1.00 32.11 C ATOM 540 O PHE A 39 4.725 5.187 5.742 1.00 4.15 O ATOM 541 CB PHE A 39 4.542 4.366 2.868 1.00 4.11 C ATOM 542 CG PHE A 39 4.739 3.493 1.642 1.00 3.02 C ATOM 543 CD1 PHE A 39 4.962 2.112 1.786 1.00 34.55 C ATOM 544 CD2 PHE A 39 4.621 4.041 0.351 1.00 14.24 C ATOM 545 CE1 PHE A 39 5.078 1.293 0.651 1.00 22.43 C ATOM 546 CE2 PHE A 39 4.730 3.218 -0.782 1.00 61.24 C ATOM 547 CZ PHE A 39 4.952 1.840 -0.635 1.00 23.13 C ATOM 0 H PHE A 39 5.930 3.075 4.893 1.00 14.43 H new ATOM 0 HA PHE A 39 6.454 5.265 2.965 1.00 4.04 H new ATOM 0 HB2 PHE A 39 3.851 3.859 3.541 1.00 4.11 H new ATOM 0 HB3 PHE A 39 4.061 5.292 2.555 1.00 4.11 H new ATOM 0 HD1 PHE A 39 5.044 1.680 2.772 1.00 34.55 H new ATOM 0 HD2 PHE A 39 4.446 5.100 0.231 1.00 14.24 H new ATOM 0 HE1 PHE A 39 5.265 0.236 0.769 1.00 22.43 H new ATOM 0 HE2 PHE A 39 4.643 3.647 -1.769 1.00 61.24 H new ATOM 0 HZ PHE A 39 5.025 1.205 -1.506 1.00 23.13 H new ATOM 557 N ALA A 40 6.103 6.788 4.980 1.00 63.54 N ATOM 558 CA ALA A 40 5.867 7.731 6.075 1.00 12.15 C ATOM 559 C ALA A 40 5.230 8.993 5.499 1.00 22.24 C ATOM 560 O ALA A 40 5.813 9.664 4.637 1.00 11.45 O ATOM 561 CB ALA A 40 7.156 8.043 6.839 1.00 11.22 C ATOM 0 H ALA A 40 6.782 7.124 4.297 1.00 63.54 H new ATOM 0 HA ALA A 40 5.188 7.283 6.800 1.00 12.15 H new ATOM 0 HB1 ALA A 40 6.941 8.746 7.644 1.00 11.22 H new ATOM 0 HB2 ALA A 40 7.561 7.123 7.260 1.00 11.22 H new ATOM 0 HB3 ALA A 40 7.885 8.483 6.158 1.00 11.22 H new ATOM 567 N CYS A 41 4.003 9.281 5.919 1.00 34.54 N ATOM 568 CA CYS A 41 3.169 10.337 5.383 1.00 32.13 C ATOM 569 C CYS A 41 3.551 11.633 6.094 1.00 25.42 C ATOM 570 O CYS A 41 3.251 11.818 7.272 1.00 25.45 O ATOM 571 CB CYS A 41 1.696 9.978 5.621 1.00 4.35 C ATOM 572 SG CYS A 41 0.720 10.533 4.204 1.00 34.23 S ATOM 0 H CYS A 41 3.550 8.762 6.671 1.00 34.54 H new ATOM 0 HA CYS A 41 3.314 10.461 4.310 1.00 32.13 H new ATOM 0 HB2 CYS A 41 1.587 8.902 5.755 1.00 4.35 H new ATOM 0 HB3 CYS A 41 1.336 10.451 6.535 1.00 4.35 H new ATOM 0 HG CYS A 41 0.719 11.832 4.160 1.00 34.23 H new ATOM 578 N LYS A 42 4.236 12.570 5.434 1.00 72.32 N ATOM 579 CA LYS A 42 4.624 13.807 6.121 1.00 5.03 C ATOM 580 C LYS A 42 3.496 14.845 6.075 1.00 73.40 C ATOM 581 O LYS A 42 3.733 16.053 6.053 1.00 71.51 O ATOM 582 CB LYS A 42 5.978 14.307 5.637 1.00 42.41 C ATOM 583 CG LYS A 42 6.559 15.340 6.622 1.00 43.03 C ATOM 584 CD LYS A 42 8.083 15.462 6.548 1.00 54.10 C ATOM 585 CE LYS A 42 8.598 16.310 7.713 1.00 41.14 C ATOM 586 NZ LYS A 42 8.487 15.606 9.005 1.00 34.51 N ATOM 0 H LYS A 42 4.526 12.503 4.458 1.00 72.32 H new ATOM 0 HA LYS A 42 4.768 13.596 7.181 1.00 5.03 H new ATOM 0 HB2 LYS A 42 6.666 13.468 5.534 1.00 42.41 H new ATOM 0 HB3 LYS A 42 5.874 14.757 4.650 1.00 42.41 H new ATOM 0 HG2 LYS A 42 6.114 16.314 6.419 1.00 43.03 H new ATOM 0 HG3 LYS A 42 6.273 15.064 7.637 1.00 43.03 H new ATOM 0 HD2 LYS A 42 8.537 14.472 6.580 1.00 54.10 H new ATOM 0 HD3 LYS A 42 8.374 15.916 5.601 1.00 54.10 H new ATOM 0 HE2 LYS A 42 9.640 16.576 7.534 1.00 41.14 H new ATOM 0 HE3 LYS A 42 8.035 17.242 7.759 1.00 41.14 H new ATOM 0 HZ1 LYS A 42 9.093 16.074 9.709 1.00 34.51 H new ATOM 0 HZ2 LYS A 42 7.499 15.629 9.329 1.00 34.51 H new ATOM 0 HZ3 LYS A 42 8.791 14.618 8.889 1.00 34.51 H new ATOM 600 N ASN A 43 2.248 14.395 6.007 1.00 44.04 N ATOM 601 CA ASN A 43 1.083 15.245 6.202 1.00 65.24 C ATOM 602 C ASN A 43 0.008 14.499 6.991 1.00 53.33 C ATOM 603 O ASN A 43 -0.429 15.014 8.019 1.00 53.21 O ATOM 604 CB ASN A 43 0.604 15.884 4.880 1.00 5.15 C ATOM 605 CG ASN A 43 0.076 14.938 3.810 1.00 73.14 C ATOM 606 OD1 ASN A 43 0.463 13.779 3.722 1.00 23.53 O ATOM 607 ND2 ASN A 43 -0.767 15.438 2.925 1.00 61.53 N ATOM 0 H ASN A 43 2.016 13.421 5.813 1.00 44.04 H new ATOM 0 HA ASN A 43 1.360 16.101 6.817 1.00 65.24 H new ATOM 0 HB2 ASN A 43 -0.181 16.602 5.115 1.00 5.15 H new ATOM 0 HB3 ASN A 43 1.435 16.447 4.455 1.00 5.15 H new ATOM 0 HD21 ASN A 43 -1.104 14.858 2.157 1.00 61.53 H new ATOM 0 HD22 ASN A 43 -1.082 16.405 3.010 1.00 61.53 H new ATOM 614 N TYR A 44 -0.383 13.288 6.597 1.00 1.25 N ATOM 615 CA TYR A 44 -1.472 12.574 7.261 1.00 23.53 C ATOM 616 C TYR A 44 -0.954 11.554 8.280 1.00 64.54 C ATOM 617 O TYR A 44 -0.552 10.459 7.908 1.00 4.05 O ATOM 618 CB TYR A 44 -2.339 11.902 6.202 1.00 52.20 C ATOM 619 CG TYR A 44 -3.257 12.858 5.467 1.00 52.34 C ATOM 620 CD1 TYR A 44 -4.450 13.297 6.069 1.00 12.13 C ATOM 621 CD2 TYR A 44 -2.916 13.318 4.183 1.00 53.20 C ATOM 622 CE1 TYR A 44 -5.312 14.160 5.373 1.00 52.22 C ATOM 623 CE2 TYR A 44 -3.778 14.168 3.470 1.00 73.33 C ATOM 624 CZ TYR A 44 -4.993 14.582 4.063 1.00 44.11 C ATOM 625 OH TYR A 44 -5.819 15.441 3.404 1.00 71.40 O ATOM 0 H TYR A 44 0.039 12.780 5.820 1.00 1.25 H new ATOM 0 HA TYR A 44 -2.070 13.292 7.823 1.00 23.53 H new ATOM 0 HB2 TYR A 44 -1.693 11.405 5.479 1.00 52.20 H new ATOM 0 HB3 TYR A 44 -2.941 11.127 6.677 1.00 52.20 H new ATOM 0 HD1 TYR A 44 -4.703 12.970 7.067 1.00 12.13 H new ATOM 0 HD2 TYR A 44 -1.980 13.014 3.739 1.00 53.20 H new ATOM 0 HE1 TYR A 44 -6.223 14.503 5.841 1.00 52.22 H new ATOM 0 HE2 TYR A 44 -3.515 14.502 2.477 1.00 73.33 H new ATOM 0 HH TYR A 44 -5.452 15.630 2.515 1.00 71.40 H new ATOM 635 N LYS A 45 -1.007 11.864 9.577 1.00 5.31 N ATOM 636 CA LYS A 45 -0.601 10.950 10.662 1.00 54.31 C ATOM 637 C LYS A 45 -1.764 10.077 11.148 1.00 13.25 C ATOM 638 O LYS A 45 -1.865 9.737 12.329 1.00 72.34 O ATOM 639 CB LYS A 45 0.070 11.754 11.792 1.00 51.42 C ATOM 640 CG LYS A 45 1.575 11.909 11.538 1.00 34.51 C ATOM 641 CD LYS A 45 2.019 13.375 11.527 1.00 74.41 C ATOM 642 CE LYS A 45 3.540 13.442 11.385 1.00 24.41 C ATOM 643 NZ LYS A 45 4.028 14.834 11.448 1.00 74.22 N ATOM 0 H LYS A 45 -1.337 12.768 9.914 1.00 5.31 H new ATOM 0 HA LYS A 45 0.135 10.246 10.274 1.00 54.31 H new ATOM 0 HB2 LYS A 45 -0.393 12.738 11.867 1.00 51.42 H new ATOM 0 HB3 LYS A 45 -0.092 11.252 12.746 1.00 51.42 H new ATOM 0 HG2 LYS A 45 2.128 11.371 12.308 1.00 34.51 H new ATOM 0 HG3 LYS A 45 1.829 11.449 10.583 1.00 34.51 H new ATOM 0 HD2 LYS A 45 1.542 13.905 10.703 1.00 74.41 H new ATOM 0 HD3 LYS A 45 1.706 13.868 12.447 1.00 74.41 H new ATOM 0 HE2 LYS A 45 4.007 12.855 12.176 1.00 24.41 H new ATOM 0 HE3 LYS A 45 3.838 12.993 10.438 1.00 24.41 H new ATOM 0 HZ1 LYS A 45 5.063 14.844 11.349 1.00 74.22 H new ATOM 0 HZ2 LYS A 45 3.601 15.387 10.678 1.00 74.22 H new ATOM 0 HZ3 LYS A 45 3.764 15.253 12.362 1.00 74.22 H new ATOM 657 N SER A 46 -2.701 9.783 10.257 1.00 10.44 N ATOM 658 CA SER A 46 -4.080 9.530 10.643 1.00 3.11 C ATOM 659 C SER A 46 -4.820 8.811 9.513 1.00 70.21 C ATOM 660 O SER A 46 -5.705 9.390 8.876 1.00 71.32 O ATOM 661 CB SER A 46 -4.689 10.884 11.059 1.00 31.12 C ATOM 662 OG SER A 46 -4.188 11.987 10.304 1.00 3.24 O ATOM 0 H SER A 46 -2.528 9.714 9.254 1.00 10.44 H new ATOM 0 HA SER A 46 -4.161 8.855 11.495 1.00 3.11 H new ATOM 0 HB2 SER A 46 -5.772 10.837 10.945 1.00 31.12 H new ATOM 0 HB3 SER A 46 -4.487 11.055 12.116 1.00 31.12 H new ATOM 0 HG SER A 46 -4.612 12.815 10.613 1.00 3.24 H new ATOM 668 N PHE A 47 -4.431 7.566 9.222 1.00 3.33 N ATOM 669 CA PHE A 47 -4.912 6.805 8.070 1.00 33.55 C ATOM 670 C PHE A 47 -5.077 5.321 8.409 1.00 71.31 C ATOM 671 O PHE A 47 -4.520 4.849 9.400 1.00 3.00 O ATOM 672 CB PHE A 47 -3.976 7.048 6.882 1.00 30.14 C ATOM 673 CG PHE A 47 -2.579 6.476 6.972 1.00 50.42 C ATOM 674 CD1 PHE A 47 -2.315 5.198 6.456 1.00 14.22 C ATOM 675 CD2 PHE A 47 -1.524 7.253 7.486 1.00 11.32 C ATOM 676 CE1 PHE A 47 -1.005 4.701 6.450 1.00 32.31 C ATOM 677 CE2 PHE A 47 -0.211 6.754 7.487 1.00 32.33 C ATOM 678 CZ PHE A 47 0.049 5.472 6.973 1.00 42.43 C ATOM 0 H PHE A 47 -3.760 7.051 9.793 1.00 3.33 H new ATOM 0 HA PHE A 47 -5.907 7.152 7.791 1.00 33.55 H new ATOM 0 HB2 PHE A 47 -4.451 6.640 5.990 1.00 30.14 H new ATOM 0 HB3 PHE A 47 -3.891 8.125 6.734 1.00 30.14 H new ATOM 0 HD1 PHE A 47 -3.122 4.597 6.063 1.00 14.22 H new ATOM 0 HD2 PHE A 47 -1.725 8.238 7.882 1.00 11.32 H new ATOM 0 HE1 PHE A 47 -0.804 3.722 6.042 1.00 32.31 H new ATOM 0 HE2 PHE A 47 0.596 7.353 7.881 1.00 32.33 H new ATOM 0 HZ PHE A 47 1.055 5.080 6.980 1.00 42.43 H new ATOM 688 N TRP A 48 -5.866 4.596 7.611 1.00 51.03 N ATOM 689 CA TRP A 48 -6.288 3.230 7.914 1.00 33.22 C ATOM 690 C TRP A 48 -6.565 2.436 6.636 1.00 12.03 C ATOM 691 O TRP A 48 -6.443 2.962 5.531 1.00 12.33 O ATOM 692 CB TRP A 48 -7.524 3.281 8.829 1.00 73.35 C ATOM 693 CG TRP A 48 -8.765 3.902 8.243 1.00 65.23 C ATOM 694 CD1 TRP A 48 -9.777 3.200 7.685 1.00 52.13 C ATOM 695 CD2 TRP A 48 -9.139 5.315 8.101 1.00 4.43 C ATOM 696 NE1 TRP A 48 -10.737 4.066 7.209 1.00 1.43 N ATOM 697 CE2 TRP A 48 -10.382 5.382 7.404 1.00 42.41 C ATOM 698 CE3 TRP A 48 -8.542 6.551 8.442 1.00 13.33 C ATOM 699 CZ2 TRP A 48 -10.967 6.597 7.017 1.00 1.13 C ATOM 700 CZ3 TRP A 48 -9.118 7.781 8.059 1.00 11.05 C ATOM 701 CH2 TRP A 48 -10.326 7.802 7.339 1.00 2.23 C ATOM 0 H TRP A 48 -6.233 4.947 6.726 1.00 51.03 H new ATOM 0 HA TRP A 48 -5.483 2.710 8.433 1.00 33.22 H new ATOM 0 HB2 TRP A 48 -7.764 2.263 9.137 1.00 73.35 H new ATOM 0 HB3 TRP A 48 -7.259 3.833 9.731 1.00 73.35 H new ATOM 0 HD1 TRP A 48 -9.825 2.123 7.622 1.00 52.13 H new ATOM 0 HE1 TRP A 48 -11.606 3.768 6.766 1.00 1.43 H new ATOM 0 HE3 TRP A 48 -7.623 6.554 9.009 1.00 13.33 H new ATOM 0 HZ2 TRP A 48 -11.902 6.604 6.476 1.00 1.13 H new ATOM 0 HZ3 TRP A 48 -8.630 8.709 8.319 1.00 11.05 H new ATOM 0 HH2 TRP A 48 -10.759 8.744 7.035 1.00 2.23 H new ATOM 712 N ILE A 49 -6.939 1.164 6.788 1.00 65.54 N ATOM 713 CA ILE A 49 -7.144 0.218 5.690 1.00 34.54 C ATOM 714 C ILE A 49 -8.632 0.198 5.298 1.00 53.44 C ATOM 715 O ILE A 49 -9.469 -0.169 6.132 1.00 53.32 O ATOM 716 CB ILE A 49 -6.649 -1.182 6.133 1.00 64.42 C ATOM 717 CG1 ILE A 49 -5.160 -1.182 6.565 1.00 53.31 C ATOM 718 CG2 ILE A 49 -6.882 -2.224 5.023 1.00 11.14 C ATOM 719 CD1 ILE A 49 -4.158 -1.032 5.413 1.00 44.31 C ATOM 0 H ILE A 49 -7.113 0.752 7.705 1.00 65.54 H new ATOM 0 HA ILE A 49 -6.574 0.522 4.812 1.00 34.54 H new ATOM 0 HB ILE A 49 -7.238 -1.455 7.009 1.00 64.42 H new ATOM 0 HG12 ILE A 49 -5.002 -0.370 7.274 1.00 53.31 H new ATOM 0 HG13 ILE A 49 -4.949 -2.112 7.093 1.00 53.31 H new ATOM 0 HG21 ILE A 49 -6.526 -3.198 5.358 1.00 11.14 H new ATOM 0 HG22 ILE A 49 -7.947 -2.284 4.798 1.00 11.14 H new ATOM 0 HG23 ILE A 49 -6.338 -1.928 4.126 1.00 11.14 H new ATOM 0 HD11 ILE A 49 -3.143 -1.043 5.810 1.00 44.31 H new ATOM 0 HD12 ILE A 49 -4.282 -1.858 4.713 1.00 44.31 H new ATOM 0 HD13 ILE A 49 -4.336 -0.089 4.897 1.00 44.31 H new ATOM 731 N SER A 50 -8.956 0.530 4.040 1.00 61.33 N ATOM 732 CA SER A 50 -10.306 0.382 3.481 1.00 21.34 C ATOM 733 C SER A 50 -10.393 -0.298 2.111 1.00 63.32 C ATOM 734 O SER A 50 -11.502 -0.474 1.607 1.00 24.21 O ATOM 735 CB SER A 50 -11.047 1.723 3.428 1.00 34.21 C ATOM 736 OG SER A 50 -10.964 2.429 4.652 1.00 73.12 O ATOM 0 H SER A 50 -8.282 0.912 3.377 1.00 61.33 H new ATOM 0 HA SER A 50 -10.791 -0.298 4.182 1.00 21.34 H new ATOM 0 HB2 SER A 50 -10.630 2.335 2.629 1.00 34.21 H new ATOM 0 HB3 SER A 50 -12.094 1.548 3.182 1.00 34.21 H new ATOM 0 HG SER A 50 -11.448 3.278 4.574 1.00 73.12 H new ATOM 742 N SER A 51 -9.285 -0.715 1.497 1.00 3.23 N ATOM 743 CA SER A 51 -9.335 -1.655 0.383 1.00 34.11 C ATOM 744 C SER A 51 -8.048 -2.461 0.308 1.00 51.04 C ATOM 745 O SER A 51 -6.962 -1.941 0.579 1.00 65.34 O ATOM 746 CB SER A 51 -9.560 -0.933 -0.943 1.00 41.23 C ATOM 747 OG SER A 51 -10.893 -0.475 -1.055 1.00 21.20 O ATOM 0 H SER A 51 -8.344 -0.416 1.754 1.00 3.23 H new ATOM 0 HA SER A 51 -10.175 -2.327 0.559 1.00 34.11 H new ATOM 0 HB2 SER A 51 -8.875 -0.089 -1.022 1.00 41.23 H new ATOM 0 HB3 SER A 51 -9.333 -1.606 -1.770 1.00 41.23 H new ATOM 0 HG SER A 51 -11.333 -0.532 -0.181 1.00 21.20 H new ATOM 753 N VAL A 52 -8.177 -3.716 -0.103 1.00 22.20 N ATOM 754 CA VAL A 52 -7.131 -4.711 -0.224 1.00 73.11 C ATOM 755 C VAL A 52 -7.519 -5.547 -1.438 1.00 63.32 C ATOM 756 O VAL A 52 -8.474 -6.322 -1.380 1.00 52.41 O ATOM 757 CB VAL A 52 -7.043 -5.546 1.083 1.00 54.33 C ATOM 758 CG1 VAL A 52 -6.168 -6.800 0.934 1.00 65.34 C ATOM 759 CG2 VAL A 52 -6.499 -4.715 2.259 1.00 21.40 C ATOM 0 H VAL A 52 -9.086 -4.088 -0.380 1.00 22.20 H new ATOM 0 HA VAL A 52 -6.139 -4.281 -0.362 1.00 73.11 H new ATOM 0 HB VAL A 52 -8.068 -5.855 1.289 1.00 54.33 H new ATOM 0 HG11 VAL A 52 -6.145 -7.342 1.879 1.00 65.34 H new ATOM 0 HG12 VAL A 52 -6.582 -7.443 0.157 1.00 65.34 H new ATOM 0 HG13 VAL A 52 -5.155 -6.506 0.659 1.00 65.34 H new ATOM 0 HG21 VAL A 52 -6.454 -5.336 3.153 1.00 21.40 H new ATOM 0 HG22 VAL A 52 -5.500 -4.353 2.017 1.00 21.40 H new ATOM 0 HG23 VAL A 52 -7.158 -3.866 2.440 1.00 21.40 H new ATOM 769 N LYS A 53 -6.805 -5.393 -2.555 1.00 71.42 N ATOM 770 CA LYS A 53 -6.825 -6.405 -3.608 1.00 41.32 C ATOM 771 C LYS A 53 -5.761 -7.422 -3.283 1.00 42.24 C ATOM 772 O LYS A 53 -4.651 -7.027 -2.946 1.00 21.20 O ATOM 773 CB LYS A 53 -6.680 -5.773 -5.001 1.00 41.03 C ATOM 774 CG LYS A 53 -6.093 -6.669 -6.108 1.00 32.43 C ATOM 775 CD LYS A 53 -6.571 -6.244 -7.505 1.00 50.12 C ATOM 776 CE LYS A 53 -6.182 -4.824 -7.934 1.00 65.25 C ATOM 777 NZ LYS A 53 -6.815 -4.443 -9.216 1.00 63.11 N ATOM 0 H LYS A 53 -6.213 -4.586 -2.751 1.00 71.42 H new ATOM 0 HA LYS A 53 -7.789 -6.913 -3.643 1.00 41.32 H new ATOM 0 HB2 LYS A 53 -7.664 -5.432 -5.324 1.00 41.03 H new ATOM 0 HB3 LYS A 53 -6.050 -4.888 -4.910 1.00 41.03 H new ATOM 0 HG2 LYS A 53 -5.004 -6.628 -6.069 1.00 32.43 H new ATOM 0 HG3 LYS A 53 -6.379 -7.705 -5.926 1.00 32.43 H new ATOM 0 HD2 LYS A 53 -6.172 -6.947 -8.236 1.00 50.12 H new ATOM 0 HD3 LYS A 53 -7.657 -6.330 -7.540 1.00 50.12 H new ATOM 0 HE2 LYS A 53 -6.477 -4.117 -7.159 1.00 65.25 H new ATOM 0 HE3 LYS A 53 -5.098 -4.758 -8.030 1.00 65.25 H new ATOM 0 HZ1 LYS A 53 -6.527 -3.477 -9.472 1.00 63.11 H new ATOM 0 HZ2 LYS A 53 -6.514 -5.103 -9.961 1.00 63.11 H new ATOM 0 HZ3 LYS A 53 -7.850 -4.481 -9.117 1.00 63.11 H new ATOM 791 N GLU A 54 -6.091 -8.706 -3.396 1.00 62.44 N ATOM 792 CA GLU A 54 -5.165 -9.786 -3.068 1.00 45.41 C ATOM 793 C GLU A 54 -5.220 -10.961 -4.034 1.00 34.33 C ATOM 794 O GLU A 54 -4.355 -11.822 -3.946 1.00 42.22 O ATOM 795 CB GLU A 54 -5.332 -10.206 -1.598 1.00 13.30 C ATOM 796 CG GLU A 54 -6.698 -10.794 -1.212 1.00 62.13 C ATOM 797 CD GLU A 54 -6.908 -12.256 -1.626 1.00 11.21 C ATOM 798 OE1 GLU A 54 -6.081 -13.131 -1.270 1.00 71.25 O ATOM 799 OE2 GLU A 54 -7.985 -12.534 -2.198 1.00 12.42 O ATOM 0 H GLU A 54 -7.005 -9.026 -3.716 1.00 62.44 H new ATOM 0 HA GLU A 54 -4.157 -9.391 -3.193 1.00 45.41 H new ATOM 0 HB2 GLU A 54 -4.563 -10.942 -1.362 1.00 13.30 H new ATOM 0 HB3 GLU A 54 -5.144 -9.336 -0.969 1.00 13.30 H new ATOM 0 HG2 GLU A 54 -6.820 -10.716 -0.132 1.00 62.13 H new ATOM 0 HG3 GLU A 54 -7.481 -10.186 -1.666 1.00 62.13 H new ATOM 806 N GLU A 55 -6.157 -10.985 -4.988 1.00 70.43 N ATOM 807 CA GLU A 55 -6.274 -12.094 -5.948 1.00 44.45 C ATOM 808 C GLU A 55 -6.301 -11.634 -7.404 1.00 72.32 C ATOM 809 O GLU A 55 -6.436 -12.446 -8.318 1.00 62.44 O ATOM 810 CB GLU A 55 -7.534 -12.913 -5.642 1.00 43.13 C ATOM 811 CG GLU A 55 -7.126 -14.339 -5.289 1.00 45.12 C ATOM 812 CD GLU A 55 -8.338 -15.262 -5.175 1.00 45.42 C ATOM 813 OE1 GLU A 55 -9.466 -14.794 -4.880 1.00 25.42 O ATOM 814 OE2 GLU A 55 -8.214 -16.477 -5.404 1.00 2.01 O ATOM 0 H GLU A 55 -6.849 -10.247 -5.118 1.00 70.43 H new ATOM 0 HA GLU A 55 -5.380 -12.707 -5.829 1.00 44.45 H new ATOM 0 HB2 GLU A 55 -8.084 -12.463 -4.815 1.00 43.13 H new ATOM 0 HB3 GLU A 55 -8.201 -12.915 -6.504 1.00 43.13 H new ATOM 0 HG2 GLU A 55 -6.447 -14.722 -6.051 1.00 45.12 H new ATOM 0 HG3 GLU A 55 -6.579 -14.338 -4.346 1.00 45.12 H new ATOM 821 N GLY A 56 -6.243 -10.323 -7.613 1.00 73.25 N ATOM 822 CA GLY A 56 -6.740 -9.682 -8.823 1.00 14.10 C ATOM 823 C GLY A 56 -8.122 -9.064 -8.581 1.00 61.33 C ATOM 824 O GLY A 56 -8.519 -8.158 -9.310 1.00 14.40 O ATOM 0 H GLY A 56 -5.845 -9.669 -6.939 1.00 73.25 H new ATOM 0 HA2 GLY A 56 -6.042 -8.909 -9.144 1.00 14.10 H new ATOM 0 HA3 GLY A 56 -6.799 -10.413 -9.630 1.00 14.10 H new ATOM 828 N LYS A 57 -8.832 -9.467 -7.518 1.00 44.43 N ATOM 829 CA LYS A 57 -10.040 -8.807 -7.018 1.00 44.03 C ATOM 830 C LYS A 57 -9.716 -8.015 -5.760 1.00 32.44 C ATOM 831 O LYS A 57 -8.759 -8.358 -5.058 1.00 73.11 O ATOM 832 CB LYS A 57 -11.143 -9.828 -6.698 1.00 11.20 C ATOM 833 CG LYS A 57 -10.721 -10.947 -5.721 1.00 33.22 C ATOM 834 CD LYS A 57 -11.878 -11.339 -4.795 1.00 12.12 C ATOM 835 CE LYS A 57 -11.645 -12.702 -4.140 1.00 24.23 C ATOM 836 NZ LYS A 57 -12.856 -13.175 -3.438 1.00 70.22 N ATOM 0 H LYS A 57 -8.572 -10.286 -6.968 1.00 44.43 H new ATOM 0 HA LYS A 57 -10.400 -8.138 -7.799 1.00 44.03 H new ATOM 0 HB2 LYS A 57 -11.998 -9.299 -6.276 1.00 11.20 H new ATOM 0 HB3 LYS A 57 -11.478 -10.284 -7.629 1.00 11.20 H new ATOM 0 HG2 LYS A 57 -10.391 -11.820 -6.284 1.00 33.22 H new ATOM 0 HG3 LYS A 57 -9.872 -10.612 -5.125 1.00 33.22 H new ATOM 0 HD2 LYS A 57 -11.998 -10.580 -4.022 1.00 12.12 H new ATOM 0 HD3 LYS A 57 -12.807 -11.363 -5.365 1.00 12.12 H new ATOM 0 HE2 LYS A 57 -11.356 -13.428 -4.900 1.00 24.23 H new ATOM 0 HE3 LYS A 57 -10.817 -12.632 -3.434 1.00 24.23 H new ATOM 0 HZ1 LYS A 57 -12.666 -14.101 -3.004 1.00 70.22 H new ATOM 0 HZ2 LYS A 57 -13.117 -12.493 -2.698 1.00 70.22 H new ATOM 0 HZ3 LYS A 57 -13.638 -13.264 -4.117 1.00 70.22 H new ATOM 850 N PHE A 58 -10.524 -6.995 -5.486 1.00 34.24 N ATOM 851 CA PHE A 58 -10.637 -6.299 -4.205 1.00 43.45 C ATOM 852 C PHE A 58 -11.425 -7.189 -3.232 1.00 4.20 C ATOM 853 O PHE A 58 -12.299 -7.946 -3.667 1.00 63.11 O ATOM 854 CB PHE A 58 -11.343 -4.948 -4.435 1.00 74.11 C ATOM 855 CG PHE A 58 -10.433 -3.804 -4.872 1.00 62.24 C ATOM 856 CD1 PHE A 58 -9.622 -3.905 -6.022 1.00 53.44 C ATOM 857 CD2 PHE A 58 -10.392 -2.615 -4.119 1.00 73.33 C ATOM 858 CE1 PHE A 58 -8.769 -2.850 -6.389 1.00 43.42 C ATOM 859 CE2 PHE A 58 -9.527 -1.569 -4.482 1.00 71.15 C ATOM 860 CZ PHE A 58 -8.712 -1.682 -5.616 1.00 51.43 C ATOM 0 H PHE A 58 -11.153 -6.609 -6.190 1.00 34.24 H new ATOM 0 HA PHE A 58 -9.655 -6.102 -3.774 1.00 43.45 H new ATOM 0 HB2 PHE A 58 -12.116 -5.085 -5.191 1.00 74.11 H new ATOM 0 HB3 PHE A 58 -11.847 -4.658 -3.513 1.00 74.11 H new ATOM 0 HD1 PHE A 58 -9.657 -4.800 -6.625 1.00 53.44 H new ATOM 0 HD2 PHE A 58 -11.031 -2.506 -3.255 1.00 73.33 H new ATOM 0 HE1 PHE A 58 -8.154 -2.940 -7.272 1.00 43.42 H new ATOM 0 HE2 PHE A 58 -9.490 -0.671 -3.883 1.00 71.15 H new ATOM 0 HZ PHE A 58 -8.047 -0.877 -5.892 1.00 51.43 H new ATOM 870 N LYS A 59 -11.132 -7.108 -1.929 1.00 70.21 N ATOM 871 CA LYS A 59 -11.775 -7.892 -0.873 1.00 61.51 C ATOM 872 C LYS A 59 -12.028 -7.054 0.388 1.00 44.34 C ATOM 873 O LYS A 59 -11.656 -5.883 0.457 1.00 73.45 O ATOM 874 CB LYS A 59 -10.956 -9.168 -0.591 1.00 10.22 C ATOM 875 CG LYS A 59 -9.741 -8.967 0.337 1.00 24.34 C ATOM 876 CD LYS A 59 -9.484 -10.157 1.270 1.00 72.13 C ATOM 877 CE LYS A 59 -10.641 -10.495 2.218 1.00 44.34 C ATOM 878 NZ LYS A 59 -10.285 -11.504 3.241 1.00 31.53 N ATOM 0 H LYS A 59 -10.418 -6.474 -1.571 1.00 70.21 H new ATOM 0 HA LYS A 59 -12.761 -8.203 -1.219 1.00 61.51 H new ATOM 0 HB2 LYS A 59 -11.615 -9.914 -0.147 1.00 10.22 H new ATOM 0 HB3 LYS A 59 -10.607 -9.575 -1.540 1.00 10.22 H new ATOM 0 HG2 LYS A 59 -8.853 -8.793 -0.271 1.00 24.34 H new ATOM 0 HG3 LYS A 59 -9.896 -8.071 0.938 1.00 24.34 H new ATOM 0 HD2 LYS A 59 -9.262 -11.035 0.663 1.00 72.13 H new ATOM 0 HD3 LYS A 59 -8.595 -9.948 1.865 1.00 72.13 H new ATOM 0 HE2 LYS A 59 -10.971 -9.584 2.716 1.00 44.34 H new ATOM 0 HE3 LYS A 59 -11.485 -10.862 1.634 1.00 44.34 H new ATOM 0 HZ1 LYS A 59 -11.109 -11.688 3.849 1.00 31.53 H new ATOM 0 HZ2 LYS A 59 -9.997 -12.387 2.772 1.00 31.53 H new ATOM 0 HZ3 LYS A 59 -9.499 -11.147 3.822 1.00 31.53 H new ATOM 892 N GLU A 60 -12.608 -7.660 1.418 1.00 70.44 N ATOM 893 CA GLU A 60 -13.104 -6.947 2.603 1.00 31.10 C ATOM 894 C GLU A 60 -12.073 -6.961 3.741 1.00 13.43 C ATOM 895 O GLU A 60 -11.026 -7.596 3.610 1.00 3.30 O ATOM 896 CB GLU A 60 -14.465 -7.518 3.017 1.00 45.22 C ATOM 897 CG GLU A 60 -14.356 -8.842 3.743 1.00 53.32 C ATOM 898 CD GLU A 60 -15.616 -9.688 3.600 1.00 42.15 C ATOM 899 OE1 GLU A 60 -15.705 -10.432 2.596 1.00 13.12 O ATOM 900 OE2 GLU A 60 -16.500 -9.636 4.488 1.00 12.41 O ATOM 0 H GLU A 60 -12.751 -8.669 1.460 1.00 70.44 H new ATOM 0 HA GLU A 60 -13.251 -5.896 2.355 1.00 31.10 H new ATOM 0 HB2 GLU A 60 -14.974 -6.799 3.659 1.00 45.22 H new ATOM 0 HB3 GLU A 60 -15.084 -7.647 2.129 1.00 45.22 H new ATOM 0 HG2 GLU A 60 -13.503 -9.397 3.354 1.00 53.32 H new ATOM 0 HG3 GLU A 60 -14.162 -8.659 4.800 1.00 53.32 H new ATOM 907 N ASN A 61 -12.362 -6.319 4.880 1.00 54.12 N ATOM 908 CA ASN A 61 -11.428 -6.121 5.983 1.00 50.33 C ATOM 909 C ASN A 61 -12.061 -6.527 7.312 1.00 74.25 C ATOM 910 O ASN A 61 -13.280 -6.644 7.420 1.00 71.45 O ATOM 911 CB ASN A 61 -10.967 -4.647 6.018 1.00 64.35 C ATOM 912 CG ASN A 61 -9.472 -4.582 5.771 1.00 34.22 C ATOM 913 OD1 ASN A 61 -9.016 -4.907 4.684 1.00 65.44 O ATOM 914 ND2 ASN A 61 -8.678 -4.237 6.767 1.00 10.20 N ATOM 0 H ASN A 61 -13.280 -5.913 5.060 1.00 54.12 H new ATOM 0 HA ASN A 61 -10.557 -6.757 5.825 1.00 50.33 H new ATOM 0 HB2 ASN A 61 -11.498 -4.070 5.260 1.00 64.35 H new ATOM 0 HB3 ASN A 61 -11.207 -4.202 6.984 1.00 64.35 H new ATOM 0 HD21 ASN A 61 -7.666 -4.239 6.637 1.00 10.20 H new ATOM 0 HD22 ASN A 61 -9.076 -3.969 7.667 1.00 10.20 H new ATOM 921 N THR A 62 -11.225 -6.683 8.335 1.00 72.12 N ATOM 922 CA THR A 62 -11.617 -7.013 9.714 1.00 45.35 C ATOM 923 C THR A 62 -10.978 -6.078 10.753 1.00 30.41 C ATOM 924 O THR A 62 -11.369 -6.026 11.920 1.00 13.42 O ATOM 925 CB THR A 62 -11.339 -8.506 9.980 1.00 54.44 C ATOM 926 OG1 THR A 62 -11.770 -8.876 11.268 1.00 65.33 O ATOM 927 CG2 THR A 62 -9.847 -8.822 9.896 1.00 31.21 C ATOM 0 H THR A 62 -10.216 -6.580 8.228 1.00 72.12 H new ATOM 0 HA THR A 62 -12.688 -6.844 9.824 1.00 45.35 H new ATOM 0 HB THR A 62 -11.884 -9.060 9.216 1.00 54.44 H new ATOM 0 HG1 THR A 62 -11.876 -8.074 11.820 1.00 65.33 H new ATOM 0 HG21 THR A 62 -9.688 -9.883 10.089 1.00 31.21 H new ATOM 0 HG22 THR A 62 -9.478 -8.575 8.900 1.00 31.21 H new ATOM 0 HG23 THR A 62 -9.308 -8.234 10.639 1.00 31.21 H new ATOM 935 N SER A 63 -10.004 -5.296 10.314 1.00 71.25 N ATOM 936 CA SER A 63 -9.181 -4.435 11.138 1.00 23.33 C ATOM 937 C SER A 63 -9.017 -3.114 10.397 1.00 5.10 C ATOM 938 O SER A 63 -9.289 -3.036 9.198 1.00 53.24 O ATOM 939 CB SER A 63 -7.836 -5.134 11.387 1.00 10.01 C ATOM 940 OG SER A 63 -7.360 -4.906 12.693 1.00 12.22 O ATOM 0 H SER A 63 -9.757 -5.245 9.326 1.00 71.25 H new ATOM 0 HA SER A 63 -9.633 -4.236 12.110 1.00 23.33 H new ATOM 0 HB2 SER A 63 -7.948 -6.206 11.223 1.00 10.01 H new ATOM 0 HB3 SER A 63 -7.102 -4.776 10.665 1.00 10.01 H new ATOM 0 HG SER A 63 -6.504 -5.367 12.814 1.00 12.22 H new ATOM 946 N TYR A 64 -8.531 -2.090 11.090 1.00 14.14 N ATOM 947 CA TYR A 64 -8.492 -0.721 10.595 1.00 71.11 C ATOM 948 C TYR A 64 -7.134 -0.104 10.899 1.00 43.44 C ATOM 949 O TYR A 64 -7.076 1.068 11.241 1.00 61.14 O ATOM 950 CB TYR A 64 -9.666 0.071 11.191 1.00 4.32 C ATOM 951 CG TYR A 64 -11.050 -0.424 10.805 1.00 52.45 C ATOM 952 CD1 TYR A 64 -11.645 0.048 9.620 1.00 13.20 C ATOM 953 CD2 TYR A 64 -11.750 -1.336 11.621 1.00 4.02 C ATOM 954 CE1 TYR A 64 -12.954 -0.338 9.279 1.00 12.03 C ATOM 955 CE2 TYR A 64 -13.050 -1.749 11.269 1.00 32.42 C ATOM 956 CZ TYR A 64 -13.665 -1.239 10.101 1.00 32.52 C ATOM 957 OH TYR A 64 -14.937 -1.598 9.766 1.00 33.44 O ATOM 0 H TYR A 64 -8.146 -2.191 12.029 1.00 14.14 H new ATOM 0 HA TYR A 64 -8.610 -0.698 9.512 1.00 71.11 H new ATOM 0 HB2 TYR A 64 -9.581 0.050 12.278 1.00 4.32 H new ATOM 0 HB3 TYR A 64 -9.573 1.113 10.884 1.00 4.32 H new ATOM 0 HD1 TYR A 64 -11.094 0.710 8.969 1.00 13.20 H new ATOM 0 HD2 TYR A 64 -11.288 -1.719 12.519 1.00 4.02 H new ATOM 0 HE1 TYR A 64 -13.416 0.056 8.386 1.00 12.03 H new ATOM 0 HE2 TYR A 64 -13.578 -2.456 11.892 1.00 32.42 H new ATOM 0 HH TYR A 64 -15.286 -2.225 10.433 1.00 33.44 H new ATOM 967 N LYS A 65 -6.059 -0.893 10.760 1.00 45.04 N ATOM 968 CA LYS A 65 -4.635 -0.543 10.850 1.00 50.05 C ATOM 969 C LYS A 65 -3.735 -1.777 10.684 1.00 32.14 C ATOM 970 O LYS A 65 -2.520 -1.618 10.559 1.00 64.42 O ATOM 971 CB LYS A 65 -4.315 0.222 12.153 1.00 30.33 C ATOM 972 CG LYS A 65 -4.228 1.735 11.888 1.00 24.24 C ATOM 973 CD LYS A 65 -4.372 2.601 13.148 1.00 23.20 C ATOM 974 CE LYS A 65 -3.129 2.504 14.045 1.00 3.04 C ATOM 975 NZ LYS A 65 -3.384 1.859 15.351 1.00 34.11 N ATOM 0 H LYS A 65 -6.177 -1.887 10.563 1.00 45.04 H new ATOM 0 HA LYS A 65 -4.418 0.129 10.020 1.00 50.05 H new ATOM 0 HB2 LYS A 65 -5.086 0.022 12.897 1.00 30.33 H new ATOM 0 HB3 LYS A 65 -3.372 -0.134 12.568 1.00 30.33 H new ATOM 0 HG2 LYS A 65 -3.271 1.956 11.416 1.00 24.24 H new ATOM 0 HG3 LYS A 65 -5.006 2.014 11.177 1.00 24.24 H new ATOM 0 HD2 LYS A 65 -4.533 3.640 12.860 1.00 23.20 H new ATOM 0 HD3 LYS A 65 -5.252 2.285 13.709 1.00 23.20 H new ATOM 0 HE2 LYS A 65 -2.356 1.944 13.519 1.00 3.04 H new ATOM 0 HE3 LYS A 65 -2.737 3.506 14.216 1.00 3.04 H new ATOM 0 HZ1 LYS A 65 -2.502 1.829 15.901 1.00 34.11 H new ATOM 0 HZ2 LYS A 65 -4.099 2.404 15.873 1.00 34.11 H new ATOM 0 HZ3 LYS A 65 -3.730 0.890 15.198 1.00 34.11 H new ATOM 989 N GLU A 66 -4.284 -2.991 10.593 1.00 70.31 N ATOM 990 CA GLU A 66 -3.573 -4.180 10.142 1.00 10.43 C ATOM 991 C GLU A 66 -4.408 -4.788 9.009 1.00 52.13 C ATOM 992 O GLU A 66 -5.614 -4.535 8.912 1.00 22.54 O ATOM 993 CB GLU A 66 -3.343 -5.141 11.331 1.00 33.21 C ATOM 994 CG GLU A 66 -2.455 -6.337 10.941 1.00 53.23 C ATOM 995 CD GLU A 66 -2.083 -7.303 12.070 1.00 74.13 C ATOM 996 OE1 GLU A 66 -2.470 -7.115 13.244 1.00 73.54 O ATOM 997 OE2 GLU A 66 -1.410 -8.313 11.766 1.00 25.43 O ATOM 0 H GLU A 66 -5.257 -3.174 10.837 1.00 70.31 H new ATOM 0 HA GLU A 66 -2.578 -3.953 9.760 1.00 10.43 H new ATOM 0 HB2 GLU A 66 -2.878 -4.597 12.153 1.00 33.21 H new ATOM 0 HB3 GLU A 66 -4.304 -5.506 11.694 1.00 33.21 H new ATOM 0 HG2 GLU A 66 -2.966 -6.902 10.161 1.00 53.23 H new ATOM 0 HG3 GLU A 66 -1.534 -5.951 10.504 1.00 53.23 H new ATOM 1004 N PHE A 67 -3.781 -5.599 8.164 1.00 30.14 N ATOM 1005 CA PHE A 67 -4.415 -6.699 7.462 1.00 10.12 C ATOM 1006 C PHE A 67 -3.343 -7.779 7.356 1.00 72.42 C ATOM 1007 O PHE A 67 -2.334 -7.567 6.684 1.00 24.34 O ATOM 1008 CB PHE A 67 -4.954 -6.268 6.087 1.00 53.41 C ATOM 1009 CG PHE A 67 -5.646 -7.393 5.330 1.00 3.40 C ATOM 1010 CD1 PHE A 67 -4.889 -8.424 4.744 1.00 41.32 C ATOM 1011 CD2 PHE A 67 -7.049 -7.446 5.249 1.00 41.45 C ATOM 1012 CE1 PHE A 67 -5.532 -9.525 4.153 1.00 44.02 C ATOM 1013 CE2 PHE A 67 -7.689 -8.515 4.598 1.00 71.31 C ATOM 1014 CZ PHE A 67 -6.929 -9.576 4.082 1.00 42.42 C ATOM 0 H PHE A 67 -2.789 -5.503 7.945 1.00 30.14 H new ATOM 0 HA PHE A 67 -5.292 -7.066 7.995 1.00 10.12 H new ATOM 0 HB2 PHE A 67 -5.656 -5.445 6.222 1.00 53.41 H new ATOM 0 HB3 PHE A 67 -4.129 -5.888 5.484 1.00 53.41 H new ATOM 0 HD1 PHE A 67 -3.810 -8.369 4.748 1.00 41.32 H new ATOM 0 HD2 PHE A 67 -7.640 -6.658 5.691 1.00 41.45 H new ATOM 0 HE1 PHE A 67 -4.944 -10.337 3.751 1.00 44.02 H new ATOM 0 HE2 PHE A 67 -8.764 -8.520 4.495 1.00 71.31 H new ATOM 0 HZ PHE A 67 -7.419 -10.427 3.633 1.00 42.42 H new ATOM 1024 N ASP A 68 -3.521 -8.914 8.020 1.00 11.03 N ATOM 1025 CA ASP A 68 -2.731 -10.110 7.748 1.00 65.51 C ATOM 1026 C ASP A 68 -3.495 -10.994 6.762 1.00 4.34 C ATOM 1027 O ASP A 68 -4.730 -11.031 6.768 1.00 31.40 O ATOM 1028 CB ASP A 68 -2.448 -10.855 9.052 1.00 2.14 C ATOM 1029 CG ASP A 68 -1.697 -12.172 8.852 1.00 13.11 C ATOM 1030 OD1 ASP A 68 -0.844 -12.260 7.936 1.00 62.31 O ATOM 1031 OD2 ASP A 68 -1.967 -13.101 9.646 1.00 14.22 O ATOM 0 H ASP A 68 -4.214 -9.032 8.759 1.00 11.03 H new ATOM 0 HA ASP A 68 -1.773 -9.835 7.306 1.00 65.51 H new ATOM 0 HB2 ASP A 68 -1.866 -10.210 9.710 1.00 2.14 H new ATOM 0 HB3 ASP A 68 -3.392 -11.058 9.558 1.00 2.14 H new ATOM 1036 N GLY A 69 -2.755 -11.702 5.917 1.00 24.51 N ATOM 1037 CA GLY A 69 -3.254 -12.718 5.000 1.00 13.11 C ATOM 1038 C GLY A 69 -2.139 -13.666 4.584 1.00 25.54 C ATOM 1039 O GLY A 69 -2.084 -14.093 3.429 1.00 65.55 O ATOM 0 H GLY A 69 -1.745 -11.577 5.850 1.00 24.51 H new ATOM 0 HA2 GLY A 69 -4.057 -13.281 5.476 1.00 13.11 H new ATOM 0 HA3 GLY A 69 -3.679 -12.240 4.117 1.00 13.11 H new ATOM 1043 N GLY A 70 -1.224 -13.973 5.505 1.00 43.21 N ATOM 1044 CA GLY A 70 -0.136 -14.900 5.269 1.00 5.33 C ATOM 1045 C GLY A 70 0.964 -14.211 4.486 1.00 65.13 C ATOM 1046 O GLY A 70 1.752 -13.477 5.078 1.00 53.14 O ATOM 0 H GLY A 70 -1.225 -13.576 6.444 1.00 43.21 H new ATOM 0 HA2 GLY A 70 0.255 -15.266 6.219 1.00 5.33 H new ATOM 0 HA3 GLY A 70 -0.498 -15.768 4.718 1.00 5.33 H new ATOM 1050 N TRP A 71 1.020 -14.401 3.164 1.00 12.33 N ATOM 1051 CA TRP A 71 2.198 -14.013 2.380 1.00 11.42 C ATOM 1052 C TRP A 71 2.419 -12.498 2.293 1.00 65.12 C ATOM 1053 O TRP A 71 3.451 -12.054 1.790 1.00 21.10 O ATOM 1054 CB TRP A 71 2.179 -14.641 0.980 1.00 34.24 C ATOM 1055 CG TRP A 71 1.181 -14.118 -0.009 1.00 65.13 C ATOM 1056 CD1 TRP A 71 -0.098 -14.528 -0.108 1.00 50.04 C ATOM 1057 CD2 TRP A 71 1.360 -13.126 -1.070 1.00 23.20 C ATOM 1058 NE1 TRP A 71 -0.713 -13.904 -1.174 1.00 51.31 N ATOM 1059 CE2 TRP A 71 0.155 -13.054 -1.831 1.00 21.23 C ATOM 1060 CE3 TRP A 71 2.417 -12.285 -1.478 1.00 42.02 C ATOM 1061 CZ2 TRP A 71 0.034 -12.231 -2.964 1.00 74.54 C ATOM 1062 CZ3 TRP A 71 2.289 -11.430 -2.591 1.00 25.44 C ATOM 1063 CH2 TRP A 71 1.113 -11.422 -3.355 1.00 30.43 C ATOM 0 H TRP A 71 0.268 -14.819 2.616 1.00 12.33 H new ATOM 0 HA TRP A 71 3.049 -14.412 2.932 1.00 11.42 H new ATOM 0 HB2 TRP A 71 3.172 -14.523 0.547 1.00 34.24 H new ATOM 0 HB3 TRP A 71 2.006 -15.711 1.096 1.00 34.24 H new ATOM 0 HD1 TRP A 71 -0.573 -15.241 0.550 1.00 50.04 H new ATOM 0 HE1 TRP A 71 -1.686 -14.052 -1.443 1.00 51.31 H new ATOM 0 HE3 TRP A 71 3.345 -12.297 -0.925 1.00 42.02 H new ATOM 0 HZ2 TRP A 71 -0.885 -12.221 -3.531 1.00 74.54 H new ATOM 0 HZ3 TRP A 71 3.105 -10.774 -2.858 1.00 25.44 H new ATOM 0 HH2 TRP A 71 1.038 -10.800 -4.235 1.00 30.43 H new ATOM 1074 N TYR A 72 1.469 -11.695 2.763 1.00 1.32 N ATOM 1075 CA TYR A 72 1.510 -10.250 2.703 1.00 64.51 C ATOM 1076 C TYR A 72 0.912 -9.726 4.004 1.00 64.15 C ATOM 1077 O TYR A 72 -0.225 -10.074 4.341 1.00 23.12 O ATOM 1078 CB TYR A 72 0.732 -9.812 1.463 1.00 71.33 C ATOM 1079 CG TYR A 72 0.883 -8.351 1.120 1.00 4.11 C ATOM 1080 CD1 TYR A 72 1.984 -7.938 0.355 1.00 10.20 C ATOM 1081 CD2 TYR A 72 -0.090 -7.417 1.509 1.00 74.25 C ATOM 1082 CE1 TYR A 72 2.109 -6.598 -0.049 1.00 22.13 C ATOM 1083 CE2 TYR A 72 0.020 -6.080 1.093 1.00 11.11 C ATOM 1084 CZ TYR A 72 1.122 -5.665 0.319 1.00 51.44 C ATOM 1085 OH TYR A 72 1.229 -4.366 -0.061 1.00 21.24 O ATOM 0 H TYR A 72 0.624 -12.051 3.210 1.00 1.32 H new ATOM 0 HA TYR A 72 2.520 -9.850 2.613 1.00 64.51 H new ATOM 0 HB2 TYR A 72 1.061 -10.409 0.612 1.00 71.33 H new ATOM 0 HB3 TYR A 72 -0.325 -10.030 1.616 1.00 71.33 H new ATOM 0 HD1 TYR A 72 2.741 -8.655 0.075 1.00 10.20 H new ATOM 0 HD2 TYR A 72 -0.921 -7.726 2.126 1.00 74.25 H new ATOM 0 HE1 TYR A 72 2.958 -6.286 -0.639 1.00 22.13 H new ATOM 0 HE2 TYR A 72 -0.743 -5.367 1.368 1.00 11.11 H new ATOM 0 HH TYR A 72 1.559 -4.321 -0.983 1.00 21.24 H new ATOM 1095 N LEU A 73 1.680 -8.933 4.751 1.00 12.23 N ATOM 1096 CA LEU A 73 1.346 -8.498 6.104 1.00 13.14 C ATOM 1097 C LEU A 73 1.343 -6.974 6.150 1.00 71.41 C ATOM 1098 O LEU A 73 2.408 -6.364 6.049 1.00 62.23 O ATOM 1099 CB LEU A 73 2.366 -9.111 7.078 1.00 72.43 C ATOM 1100 CG LEU A 73 2.132 -8.743 8.554 1.00 72.51 C ATOM 1101 CD1 LEU A 73 0.729 -9.112 9.042 1.00 73.21 C ATOM 1102 CD2 LEU A 73 3.167 -9.468 9.422 1.00 61.44 C ATOM 0 H LEU A 73 2.574 -8.567 4.422 1.00 12.23 H new ATOM 0 HA LEU A 73 0.352 -8.836 6.398 1.00 13.14 H new ATOM 0 HB2 LEU A 73 2.340 -10.196 6.978 1.00 72.43 H new ATOM 0 HB3 LEU A 73 3.366 -8.788 6.789 1.00 72.43 H new ATOM 0 HG LEU A 73 2.234 -7.661 8.638 1.00 72.51 H new ATOM 0 HD11 LEU A 73 0.622 -8.829 10.089 1.00 73.21 H new ATOM 0 HD12 LEU A 73 -0.014 -8.583 8.445 1.00 73.21 H new ATOM 0 HD13 LEU A 73 0.579 -10.187 8.939 1.00 73.21 H new ATOM 0 HD21 LEU A 73 3.007 -9.212 10.469 1.00 61.44 H new ATOM 0 HD22 LEU A 73 3.061 -10.545 9.292 1.00 61.44 H new ATOM 0 HD23 LEU A 73 4.170 -9.163 9.123 1.00 61.44 H new ATOM 1114 N VAL A 74 0.171 -6.352 6.271 1.00 12.42 N ATOM 1115 CA VAL A 74 -0.038 -4.908 6.149 1.00 34.52 C ATOM 1116 C VAL A 74 -0.120 -4.338 7.547 1.00 13.43 C ATOM 1117 O VAL A 74 -0.997 -4.733 8.314 1.00 43.11 O ATOM 1118 CB VAL A 74 -1.301 -4.556 5.316 1.00 24.31 C ATOM 1119 CG1 VAL A 74 -1.185 -3.135 4.746 1.00 42.25 C ATOM 1120 CG2 VAL A 74 -1.490 -5.507 4.126 1.00 4.42 C ATOM 0 H VAL A 74 -0.693 -6.859 6.464 1.00 12.42 H new ATOM 0 HA VAL A 74 0.797 -4.467 5.605 1.00 34.52 H new ATOM 0 HB VAL A 74 -2.151 -4.644 5.993 1.00 24.31 H new ATOM 0 HG11 VAL A 74 -2.077 -2.902 4.165 1.00 42.25 H new ATOM 0 HG12 VAL A 74 -1.089 -2.421 5.564 1.00 42.25 H new ATOM 0 HG13 VAL A 74 -0.307 -3.071 4.104 1.00 42.25 H new ATOM 0 HG21 VAL A 74 -2.385 -5.223 3.572 1.00 4.42 H new ATOM 0 HG22 VAL A 74 -0.622 -5.445 3.469 1.00 4.42 H new ATOM 0 HG23 VAL A 74 -1.597 -6.529 4.490 1.00 4.42 H new ATOM 1130 N LYS A 75 0.762 -3.406 7.902 1.00 45.33 N ATOM 1131 CA LYS A 75 0.845 -2.858 9.246 1.00 31.53 C ATOM 1132 C LYS A 75 1.021 -1.346 9.159 1.00 33.52 C ATOM 1133 O LYS A 75 1.852 -0.866 8.389 1.00 1.22 O ATOM 1134 CB LYS A 75 2.004 -3.554 9.972 1.00 23.50 C ATOM 1135 CG LYS A 75 1.498 -4.632 10.937 1.00 71.23 C ATOM 1136 CD LYS A 75 2.637 -5.248 11.762 1.00 45.24 C ATOM 1137 CE LYS A 75 3.397 -6.343 11.004 1.00 4.20 C ATOM 1138 NZ LYS A 75 4.375 -7.026 11.877 1.00 14.12 N ATOM 0 H LYS A 75 1.444 -3.009 7.256 1.00 45.33 H new ATOM 0 HA LYS A 75 -0.067 -3.039 9.816 1.00 31.53 H new ATOM 0 HB2 LYS A 75 2.674 -4.005 9.240 1.00 23.50 H new ATOM 0 HB3 LYS A 75 2.585 -2.815 10.523 1.00 23.50 H new ATOM 0 HG2 LYS A 75 0.758 -4.198 11.609 1.00 71.23 H new ATOM 0 HG3 LYS A 75 0.995 -5.417 10.372 1.00 71.23 H new ATOM 0 HD2 LYS A 75 3.335 -4.463 12.052 1.00 45.24 H new ATOM 0 HD3 LYS A 75 2.228 -5.667 12.682 1.00 45.24 H new ATOM 0 HE2 LYS A 75 2.689 -7.072 10.609 1.00 4.20 H new ATOM 0 HE3 LYS A 75 3.914 -5.905 10.150 1.00 4.20 H new ATOM 0 HZ1 LYS A 75 4.872 -7.761 11.334 1.00 14.12 H new ATOM 0 HZ2 LYS A 75 5.064 -6.334 12.234 1.00 14.12 H new ATOM 0 HZ3 LYS A 75 3.878 -7.465 12.678 1.00 14.12 H new ATOM 1152 N ILE A 76 0.206 -0.613 9.915 1.00 12.00 N ATOM 1153 CA ILE A 76 0.199 0.835 10.015 1.00 42.04 C ATOM 1154 C ILE A 76 0.446 1.142 11.492 1.00 62.43 C ATOM 1155 O ILE A 76 -0.464 1.060 12.322 1.00 33.42 O ATOM 1156 CB ILE A 76 -1.135 1.404 9.472 1.00 31.52 C ATOM 1157 CG1 ILE A 76 -1.272 1.176 7.953 1.00 13.10 C ATOM 1158 CG2 ILE A 76 -1.268 2.910 9.750 1.00 74.45 C ATOM 1159 CD1 ILE A 76 -2.661 1.557 7.432 1.00 52.34 C ATOM 0 H ILE A 76 -0.506 -1.044 10.506 1.00 12.00 H new ATOM 0 HA ILE A 76 0.970 1.311 9.409 1.00 42.04 H new ATOM 0 HB ILE A 76 -1.927 0.868 9.995 1.00 31.52 H new ATOM 0 HG12 ILE A 76 -0.517 1.762 7.430 1.00 13.10 H new ATOM 0 HG13 ILE A 76 -1.076 0.128 7.726 1.00 13.10 H new ATOM 0 HG21 ILE A 76 -2.217 3.271 9.354 1.00 74.45 H new ATOM 0 HG22 ILE A 76 -1.233 3.086 10.825 1.00 74.45 H new ATOM 0 HG23 ILE A 76 -0.448 3.443 9.269 1.00 74.45 H new ATOM 0 HD11 ILE A 76 -2.708 1.379 6.358 1.00 52.34 H new ATOM 0 HD12 ILE A 76 -3.416 0.952 7.934 1.00 52.34 H new ATOM 0 HD13 ILE A 76 -2.848 2.612 7.633 1.00 52.34 H new ATOM 1171 N GLU A 77 1.685 1.506 11.818 1.00 32.23 N ATOM 1172 CA GLU A 77 2.048 2.055 13.111 1.00 3.11 C ATOM 1173 C GLU A 77 2.071 3.569 12.963 1.00 43.23 C ATOM 1174 O GLU A 77 2.877 4.068 12.185 1.00 32.15 O ATOM 1175 CB GLU A 77 3.440 1.586 13.564 1.00 72.15 C ATOM 1176 CG GLU A 77 3.545 0.098 13.896 1.00 32.32 C ATOM 1177 CD GLU A 77 4.229 -0.711 12.804 1.00 12.13 C ATOM 1178 OE1 GLU A 77 5.477 -0.856 12.818 1.00 12.41 O ATOM 1179 OE2 GLU A 77 3.503 -1.314 11.993 1.00 61.45 O ATOM 0 H GLU A 77 2.474 1.424 11.176 1.00 32.23 H new ATOM 0 HA GLU A 77 1.327 1.720 13.857 1.00 3.11 H new ATOM 0 HB2 GLU A 77 4.159 1.819 12.778 1.00 72.15 H new ATOM 0 HB3 GLU A 77 3.732 2.160 14.443 1.00 72.15 H new ATOM 0 HG2 GLU A 77 4.097 -0.022 14.828 1.00 32.32 H new ATOM 0 HG3 GLU A 77 2.545 -0.302 14.064 1.00 32.32 H new ATOM 1186 N ASP A 78 1.214 4.297 13.678 1.00 25.12 N ATOM 1187 CA ASP A 78 1.099 5.764 13.746 1.00 23.22 C ATOM 1188 C ASP A 78 1.165 6.469 12.377 1.00 13.32 C ATOM 1189 O ASP A 78 0.125 6.627 11.734 1.00 24.54 O ATOM 1190 CB ASP A 78 2.142 6.314 14.736 1.00 5.04 C ATOM 1191 CG ASP A 78 1.866 7.747 15.183 1.00 54.01 C ATOM 1192 OD1 ASP A 78 0.730 8.242 15.053 1.00 54.00 O ATOM 1193 OD2 ASP A 78 2.775 8.356 15.799 1.00 1.31 O ATOM 0 H ASP A 78 0.523 3.844 14.276 1.00 25.12 H new ATOM 0 HA ASP A 78 0.098 5.991 14.111 1.00 23.22 H new ATOM 0 HB2 ASP A 78 2.173 5.668 15.614 1.00 5.04 H new ATOM 0 HB3 ASP A 78 3.128 6.270 14.273 1.00 5.04 H new ATOM 1198 N ASN A 79 2.359 6.792 11.863 1.00 4.44 N ATOM 1199 CA ASN A 79 2.628 7.356 10.556 1.00 31.55 C ATOM 1200 C ASN A 79 3.913 6.732 9.960 1.00 42.20 C ATOM 1201 O ASN A 79 4.905 7.394 9.655 1.00 70.52 O ATOM 1202 CB ASN A 79 2.628 8.855 10.697 1.00 74.41 C ATOM 1203 CG ASN A 79 3.172 9.485 9.456 1.00 33.55 C ATOM 1204 OD1 ASN A 79 2.710 9.194 8.363 1.00 34.51 O ATOM 1205 ND2 ASN A 79 4.179 10.314 9.617 1.00 70.54 N ATOM 0 H ASN A 79 3.217 6.652 12.397 1.00 4.44 H new ATOM 0 HA ASN A 79 1.857 7.113 9.825 1.00 31.55 H new ATOM 0 HB2 ASN A 79 1.614 9.211 10.881 1.00 74.41 H new ATOM 0 HB3 ASN A 79 3.230 9.148 11.557 1.00 74.41 H new ATOM 0 HD21 ASN A 79 4.615 10.750 8.805 1.00 70.54 H new ATOM 0 HD22 ASN A 79 4.524 10.521 10.554 1.00 70.54 H new ATOM 1212 N GLU A 80 3.933 5.411 9.879 1.00 33.54 N ATOM 1213 CA GLU A 80 4.866 4.539 9.199 1.00 30.35 C ATOM 1214 C GLU A 80 4.080 3.286 8.776 1.00 33.45 C ATOM 1215 O GLU A 80 4.005 2.307 9.524 1.00 62.21 O ATOM 1216 CB GLU A 80 6.040 4.177 10.122 1.00 3.44 C ATOM 1217 CG GLU A 80 7.061 5.304 10.296 1.00 10.34 C ATOM 1218 CD GLU A 80 8.405 4.798 10.826 1.00 21.13 C ATOM 1219 OE1 GLU A 80 8.427 3.883 11.691 1.00 42.31 O ATOM 1220 OE2 GLU A 80 9.449 5.281 10.332 1.00 70.13 O ATOM 0 H GLU A 80 3.208 4.865 10.345 1.00 33.54 H new ATOM 0 HA GLU A 80 5.296 5.030 8.326 1.00 30.35 H new ATOM 0 HB2 GLU A 80 5.648 3.900 11.101 1.00 3.44 H new ATOM 0 HB3 GLU A 80 6.547 3.299 9.722 1.00 3.44 H new ATOM 0 HG2 GLU A 80 7.215 5.802 9.339 1.00 10.34 H new ATOM 0 HG3 GLU A 80 6.661 6.050 10.982 1.00 10.34 H new ATOM 1227 N LEU A 81 3.478 3.317 7.585 1.00 41.03 N ATOM 1228 CA LEU A 81 2.935 2.132 6.918 1.00 70.34 C ATOM 1229 C LEU A 81 4.121 1.293 6.474 1.00 45.14 C ATOM 1230 O LEU A 81 5.005 1.818 5.795 1.00 21.41 O ATOM 1231 CB LEU A 81 2.086 2.550 5.699 1.00 23.34 C ATOM 1232 CG LEU A 81 1.828 1.459 4.630 1.00 21.42 C ATOM 1233 CD1 LEU A 81 0.908 0.338 5.125 1.00 30.20 C ATOM 1234 CD2 LEU A 81 1.197 2.092 3.385 1.00 3.43 C ATOM 0 H LEU A 81 3.352 4.176 7.050 1.00 41.03 H new ATOM 0 HA LEU A 81 2.290 1.566 7.590 1.00 70.34 H new ATOM 0 HB2 LEU A 81 1.122 2.908 6.061 1.00 23.34 H new ATOM 0 HB3 LEU A 81 2.577 3.394 5.214 1.00 23.34 H new ATOM 0 HG LEU A 81 2.797 1.017 4.400 1.00 21.42 H new ATOM 0 HD11 LEU A 81 0.767 -0.394 4.330 1.00 30.20 H new ATOM 0 HD12 LEU A 81 1.359 -0.148 5.990 1.00 30.20 H new ATOM 0 HD13 LEU A 81 -0.057 0.758 5.408 1.00 30.20 H new ATOM 0 HD21 LEU A 81 1.017 1.321 2.636 1.00 3.43 H new ATOM 0 HD22 LEU A 81 0.252 2.562 3.655 1.00 3.43 H new ATOM 0 HD23 LEU A 81 1.873 2.844 2.977 1.00 3.43 H new ATOM 1246 N LYS A 82 4.164 0.011 6.821 1.00 5.23 N ATOM 1247 CA LYS A 82 5.191 -0.900 6.343 1.00 53.22 C ATOM 1248 C LYS A 82 4.587 -2.284 6.166 1.00 44.22 C ATOM 1249 O LYS A 82 3.995 -2.836 7.098 1.00 2.10 O ATOM 1250 CB LYS A 82 6.372 -0.872 7.319 1.00 10.11 C ATOM 1251 CG LYS A 82 5.996 -1.223 8.768 1.00 23.22 C ATOM 1252 CD LYS A 82 7.014 -0.642 9.744 1.00 34.13 C ATOM 1253 CE LYS A 82 6.665 0.792 10.138 1.00 22.12 C ATOM 1254 NZ LYS A 82 7.608 1.305 11.157 1.00 34.11 N ATOM 0 H LYS A 82 3.484 -0.424 7.444 1.00 5.23 H new ATOM 0 HA LYS A 82 5.573 -0.596 5.369 1.00 53.22 H new ATOM 0 HB2 LYS A 82 7.133 -1.572 6.973 1.00 10.11 H new ATOM 0 HB3 LYS A 82 6.821 0.121 7.302 1.00 10.11 H new ATOM 0 HG2 LYS A 82 5.003 -0.835 8.996 1.00 23.22 H new ATOM 0 HG3 LYS A 82 5.949 -2.306 8.885 1.00 23.22 H new ATOM 0 HD2 LYS A 82 7.058 -1.264 10.638 1.00 34.13 H new ATOM 0 HD3 LYS A 82 8.005 -0.664 9.292 1.00 34.13 H new ATOM 0 HE2 LYS A 82 6.693 1.432 9.256 1.00 22.12 H new ATOM 0 HE3 LYS A 82 5.648 0.829 10.527 1.00 22.12 H new ATOM 0 HZ1 LYS A 82 7.772 2.320 10.998 1.00 34.11 H new ATOM 0 HZ2 LYS A 82 7.205 1.163 12.105 1.00 34.11 H new ATOM 0 HZ3 LYS A 82 8.510 0.793 11.084 1.00 34.11 H new ATOM 1268 N VAL A 83 4.716 -2.848 4.973 1.00 64.45 N ATOM 1269 CA VAL A 83 4.293 -4.210 4.689 1.00 1.22 C ATOM 1270 C VAL A 83 5.526 -5.102 4.659 1.00 21.54 C ATOM 1271 O VAL A 83 6.629 -4.622 4.369 1.00 61.43 O ATOM 1272 CB VAL A 83 3.439 -4.301 3.402 1.00 63.31 C ATOM 1273 CG1 VAL A 83 2.390 -3.180 3.349 1.00 45.04 C ATOM 1274 CG2 VAL A 83 4.251 -4.277 2.099 1.00 21.40 C ATOM 0 H VAL A 83 5.121 -2.368 4.169 1.00 64.45 H new ATOM 0 HA VAL A 83 3.631 -4.562 5.480 1.00 1.22 H new ATOM 0 HB VAL A 83 2.956 -5.276 3.464 1.00 63.31 H new ATOM 0 HG11 VAL A 83 1.806 -3.271 2.433 1.00 45.04 H new ATOM 0 HG12 VAL A 83 1.728 -3.260 4.211 1.00 45.04 H new ATOM 0 HG13 VAL A 83 2.891 -2.212 3.365 1.00 45.04 H new ATOM 0 HG21 VAL A 83 3.574 -4.345 1.247 1.00 21.40 H new ATOM 0 HG22 VAL A 83 4.817 -3.347 2.040 1.00 21.40 H new ATOM 0 HG23 VAL A 83 4.939 -5.122 2.084 1.00 21.40 H new ATOM 1284 N ILE A 84 5.328 -6.395 4.903 1.00 54.25 N ATOM 1285 CA ILE A 84 6.340 -7.427 4.755 1.00 53.12 C ATOM 1286 C ILE A 84 5.743 -8.429 3.772 1.00 63.52 C ATOM 1287 O ILE A 84 4.621 -8.907 3.962 1.00 10.31 O ATOM 1288 CB ILE A 84 6.717 -8.000 6.141 1.00 44.41 C ATOM 1289 CG1 ILE A 84 7.485 -6.925 6.951 1.00 24.51 C ATOM 1290 CG2 ILE A 84 7.573 -9.275 6.016 1.00 44.42 C ATOM 1291 CD1 ILE A 84 7.488 -7.186 8.458 1.00 1.11 C ATOM 0 H ILE A 84 4.430 -6.760 5.219 1.00 54.25 H new ATOM 0 HA ILE A 84 7.290 -7.070 4.357 1.00 53.12 H new ATOM 0 HB ILE A 84 5.797 -8.270 6.659 1.00 44.41 H new ATOM 0 HG12 ILE A 84 8.514 -6.880 6.596 1.00 24.51 H new ATOM 0 HG13 ILE A 84 7.039 -5.949 6.760 1.00 24.51 H new ATOM 0 HG21 ILE A 84 7.818 -9.648 7.011 1.00 44.42 H new ATOM 0 HG22 ILE A 84 7.015 -10.036 5.470 1.00 44.42 H new ATOM 0 HG23 ILE A 84 8.493 -9.044 5.478 1.00 44.42 H new ATOM 0 HD11 ILE A 84 8.043 -6.395 8.963 1.00 1.11 H new ATOM 0 HD12 ILE A 84 6.462 -7.202 8.827 1.00 1.11 H new ATOM 0 HD13 ILE A 84 7.961 -8.147 8.660 1.00 1.11 H new ATOM 1303 N ILE A 85 6.466 -8.681 2.681 1.00 74.52 N ATOM 1304 CA ILE A 85 6.064 -9.575 1.598 1.00 14.34 C ATOM 1305 C ILE A 85 6.921 -10.833 1.718 1.00 41.05 C ATOM 1306 O ILE A 85 8.145 -10.736 1.827 1.00 30.42 O ATOM 1307 CB ILE A 85 6.230 -8.885 0.224 1.00 53.24 C ATOM 1308 CG1 ILE A 85 5.640 -7.456 0.248 1.00 21.13 C ATOM 1309 CG2 ILE A 85 5.583 -9.754 -0.873 1.00 12.30 C ATOM 1310 CD1 ILE A 85 5.711 -6.719 -1.085 1.00 65.23 C ATOM 0 H ILE A 85 7.378 -8.253 2.523 1.00 74.52 H new ATOM 0 HA ILE A 85 5.009 -9.837 1.675 1.00 14.34 H new ATOM 0 HB ILE A 85 7.292 -8.785 -0.001 1.00 53.24 H new ATOM 0 HG12 ILE A 85 4.598 -7.512 0.562 1.00 21.13 H new ATOM 0 HG13 ILE A 85 6.169 -6.871 1.001 1.00 21.13 H new ATOM 0 HG21 ILE A 85 5.701 -9.266 -1.841 1.00 12.30 H new ATOM 0 HG22 ILE A 85 6.068 -10.730 -0.897 1.00 12.30 H new ATOM 0 HG23 ILE A 85 4.522 -9.881 -0.658 1.00 12.30 H new ATOM 0 HD11 ILE A 85 5.275 -5.726 -0.975 1.00 65.23 H new ATOM 0 HD12 ILE A 85 6.752 -6.626 -1.394 1.00 65.23 H new ATOM 0 HD13 ILE A 85 5.157 -7.277 -1.839 1.00 65.23 H new ATOM 1322 N ASN A 86 6.274 -11.996 1.752 1.00 51.44 N ATOM 1323 CA ASN A 86 6.936 -13.294 1.799 1.00 63.42 C ATOM 1324 C ASN A 86 7.453 -13.674 0.414 1.00 34.50 C ATOM 1325 O ASN A 86 7.046 -13.116 -0.609 1.00 32.41 O ATOM 1326 CB ASN A 86 5.963 -14.397 2.256 1.00 11.04 C ATOM 1327 CG ASN A 86 5.684 -14.443 3.751 1.00 11.40 C ATOM 1328 OD1 ASN A 86 5.653 -15.521 4.333 1.00 43.44 O ATOM 1329 ND2 ASN A 86 5.420 -13.315 4.385 1.00 71.15 N ATOM 0 H ASN A 86 5.256 -12.062 1.748 1.00 51.44 H new ATOM 0 HA ASN A 86 7.760 -13.212 2.508 1.00 63.42 H new ATOM 0 HB2 ASN A 86 5.017 -14.264 1.731 1.00 11.04 H new ATOM 0 HB3 ASN A 86 6.365 -15.363 1.949 1.00 11.04 H new ATOM 0 HD21 ASN A 86 5.185 -13.331 5.377 1.00 71.15 H new ATOM 0 HD22 ASN A 86 5.451 -12.428 3.882 1.00 71.15 H new ATOM 1336 N ARG A 87 8.282 -14.715 0.390 1.00 4.33 N ATOM 1337 CA ARG A 87 8.743 -15.362 -0.819 1.00 34.31 C ATOM 1338 C ARG A 87 7.635 -16.229 -1.390 1.00 1.00 C ATOM 1339 O ARG A 87 7.051 -17.058 -0.687 1.00 32.10 O ATOM 1340 CB ARG A 87 10.023 -16.142 -0.512 1.00 63.52 C ATOM 1341 CG ARG A 87 10.580 -16.862 -1.746 1.00 22.24 C ATOM 1342 CD ARG A 87 10.119 -18.317 -1.912 1.00 1.30 C ATOM 1343 NE ARG A 87 11.268 -19.238 -1.953 1.00 50.14 N ATOM 1344 CZ ARG A 87 11.961 -19.546 -3.059 1.00 52.11 C ATOM 1345 NH1 ARG A 87 11.521 -19.223 -4.274 1.00 5.31 N ATOM 1346 NH2 ARG A 87 13.115 -20.180 -2.945 1.00 52.11 N ATOM 0 H ARG A 87 8.658 -15.138 1.239 1.00 4.33 H new ATOM 0 HA ARG A 87 8.989 -14.627 -1.585 1.00 34.31 H new ATOM 0 HB2 ARG A 87 10.777 -15.458 -0.123 1.00 63.52 H new ATOM 0 HB3 ARG A 87 9.821 -16.873 0.271 1.00 63.52 H new ATOM 0 HG2 ARG A 87 10.292 -16.302 -2.636 1.00 22.24 H new ATOM 0 HG3 ARG A 87 11.669 -16.845 -1.697 1.00 22.24 H new ATOM 0 HD2 ARG A 87 9.461 -18.589 -1.087 1.00 1.30 H new ATOM 0 HD3 ARG A 87 9.538 -18.415 -2.829 1.00 1.30 H new ATOM 0 HE ARG A 87 11.557 -19.673 -1.077 1.00 50.14 H new ATOM 0 HH11 ARG A 87 10.635 -18.728 -4.381 1.00 5.31 H new ATOM 0 HH12 ARG A 87 12.070 -19.470 -5.098 1.00 5.31 H new ATOM 0 HH21 ARG A 87 13.470 -20.430 -2.022 1.00 52.11 H new ATOM 0 HH22 ARG A 87 13.650 -20.419 -3.780 1.00 52.11 H new ATOM 1360 N ASN A 88 7.407 -16.071 -2.683 1.00 5.40 N ATOM 1361 CA ASN A 88 6.488 -16.823 -3.505 1.00 13.24 C ATOM 1362 C ASN A 88 7.129 -18.144 -3.895 1.00 1.03 C ATOM 1363 O ASN A 88 8.116 -18.169 -4.631 1.00 11.03 O ATOM 1364 CB ASN A 88 6.144 -15.996 -4.752 1.00 53.21 C ATOM 1365 CG ASN A 88 5.183 -16.697 -5.696 1.00 45.43 C ATOM 1366 OD1 ASN A 88 4.658 -17.770 -5.408 1.00 52.13 O ATOM 1367 ND2 ASN A 88 4.920 -16.091 -6.837 1.00 64.41 N ATOM 0 H ASN A 88 7.900 -15.358 -3.221 1.00 5.40 H new ATOM 0 HA ASN A 88 5.570 -17.032 -2.955 1.00 13.24 H new ATOM 0 HB2 ASN A 88 5.708 -15.047 -4.440 1.00 53.21 H new ATOM 0 HB3 ASN A 88 7.063 -15.763 -5.289 1.00 53.21 H new ATOM 0 HD21 ASN A 88 4.270 -16.512 -7.500 1.00 64.41 H new ATOM 0 HD22 ASN A 88 5.367 -15.201 -7.056 1.00 64.41 H new ATOM 1374 N GLU A 89 6.591 -19.244 -3.373 1.00 42.23 N ATOM 1375 CA GLU A 89 7.096 -20.588 -3.631 1.00 30.30 C ATOM 1376 C GLU A 89 6.572 -21.177 -4.949 1.00 24.30 C ATOM 1377 O GLU A 89 6.790 -22.366 -5.189 1.00 54.25 O ATOM 1378 CB GLU A 89 6.754 -21.514 -2.447 1.00 34.23 C ATOM 1379 CG GLU A 89 5.255 -21.833 -2.340 1.00 5.02 C ATOM 1380 CD GLU A 89 4.991 -22.988 -1.379 1.00 10.00 C ATOM 1381 OE1 GLU A 89 5.078 -24.159 -1.820 1.00 21.31 O ATOM 1382 OE2 GLU A 89 4.664 -22.715 -0.202 1.00 24.51 O ATOM 0 H GLU A 89 5.782 -19.225 -2.752 1.00 42.23 H new ATOM 0 HA GLU A 89 8.179 -20.513 -3.734 1.00 30.30 H new ATOM 0 HB2 GLU A 89 7.310 -22.446 -2.551 1.00 34.23 H new ATOM 0 HB3 GLU A 89 7.086 -21.046 -1.520 1.00 34.23 H new ATOM 0 HG2 GLU A 89 4.718 -20.947 -2.001 1.00 5.02 H new ATOM 0 HG3 GLU A 89 4.865 -22.084 -3.326 1.00 5.02 H new ATOM 1389 N THR A 90 5.813 -20.424 -5.755 1.00 5.03 N ATOM 1390 CA THR A 90 5.135 -20.964 -6.927 1.00 71.34 C ATOM 1391 C THR A 90 5.639 -20.332 -8.220 1.00 54.13 C ATOM 1392 O THR A 90 6.148 -19.210 -8.254 1.00 10.33 O ATOM 1393 CB THR A 90 3.599 -20.882 -6.786 1.00 2.00 C ATOM 1394 OG1 THR A 90 3.102 -19.575 -6.562 1.00 13.12 O ATOM 1395 CG2 THR A 90 3.082 -21.779 -5.661 1.00 34.44 C ATOM 0 H THR A 90 5.656 -19.427 -5.609 1.00 5.03 H new ATOM 0 HA THR A 90 5.386 -22.023 -6.987 1.00 71.34 H new ATOM 0 HB THR A 90 3.231 -21.223 -7.754 1.00 2.00 H new ATOM 0 HG1 THR A 90 3.607 -19.153 -5.836 1.00 13.12 H new ATOM 0 HG21 THR A 90 1.997 -21.692 -5.595 1.00 34.44 H new ATOM 0 HG22 THR A 90 3.351 -22.815 -5.869 1.00 34.44 H new ATOM 0 HG23 THR A 90 3.529 -21.471 -4.716 1.00 34.44 H new ATOM 1403 N ASN A 91 5.423 -21.070 -9.305 1.00 53.03 N ATOM 1404 CA ASN A 91 5.733 -20.712 -10.681 1.00 34.14 C ATOM 1405 C ASN A 91 4.796 -19.650 -11.267 1.00 22.44 C ATOM 1406 O ASN A 91 4.958 -19.316 -12.439 1.00 54.12 O ATOM 1407 CB ASN A 91 5.707 -21.972 -11.551 1.00 10.23 C ATOM 1408 CG ASN A 91 4.311 -22.565 -11.591 1.00 24.33 C ATOM 1409 OD1 ASN A 91 3.427 -22.097 -12.297 1.00 10.21 O ATOM 1410 ND2 ASN A 91 4.045 -23.546 -10.747 1.00 51.44 N ATOM 0 H ASN A 91 4.998 -21.995 -9.239 1.00 53.03 H new ATOM 0 HA ASN A 91 6.728 -20.267 -10.675 1.00 34.14 H new ATOM 0 HB2 ASN A 91 6.034 -21.729 -12.562 1.00 10.23 H new ATOM 0 HB3 ASN A 91 6.409 -22.707 -11.157 1.00 10.23 H new ATOM 0 HD21 ASN A 91 3.098 -23.919 -10.680 1.00 51.44 H new ATOM 0 HD22 ASN A 91 4.787 -23.931 -10.162 1.00 51.44 H new ATOM 1417 N ALA A 92 3.869 -19.085 -10.487 1.00 44.25 N ATOM 1418 CA ALA A 92 2.919 -18.090 -10.959 1.00 13.41 C ATOM 1419 C ALA A 92 3.114 -16.787 -10.197 1.00 33.53 C ATOM 1420 O ALA A 92 3.189 -16.781 -8.967 1.00 54.13 O ATOM 1421 CB ALA A 92 1.487 -18.599 -10.802 1.00 21.33 C ATOM 0 H ALA A 92 3.761 -19.313 -9.499 1.00 44.25 H new ATOM 0 HA ALA A 92 3.097 -17.906 -12.018 1.00 13.41 H new ATOM 0 HB1 ALA A 92 0.790 -17.841 -11.160 1.00 21.33 H new ATOM 0 HB2 ALA A 92 1.360 -19.513 -11.383 1.00 21.33 H new ATOM 0 HB3 ALA A 92 1.288 -18.807 -9.751 1.00 21.33 H new ATOM 1427 N SER A 93 3.200 -15.692 -10.944 1.00 32.13 N ATOM 1428 CA SER A 93 3.176 -14.336 -10.466 1.00 50.15 C ATOM 1429 C SER A 93 1.763 -14.008 -9.987 1.00 73.34 C ATOM 1430 O SER A 93 0.790 -14.533 -10.542 1.00 25.33 O ATOM 1431 CB SER A 93 3.561 -13.442 -11.650 1.00 13.40 C ATOM 1432 OG SER A 93 4.531 -14.027 -12.515 1.00 14.21 O ATOM 0 H SER A 93 3.294 -15.743 -11.958 1.00 32.13 H new ATOM 0 HA SER A 93 3.866 -14.184 -9.636 1.00 50.15 H new ATOM 0 HB2 SER A 93 2.665 -13.211 -12.226 1.00 13.40 H new ATOM 0 HB3 SER A 93 3.948 -12.497 -11.270 1.00 13.40 H new ATOM 0 HG SER A 93 4.731 -13.408 -13.248 1.00 14.21 H new ATOM 1438 N ARG A 94 1.636 -13.125 -9.004 1.00 12.03 N ATOM 1439 CA ARG A 94 0.361 -12.741 -8.412 1.00 41.13 C ATOM 1440 C ARG A 94 0.439 -11.259 -8.060 1.00 51.13 C ATOM 1441 O ARG A 94 1.529 -10.689 -8.078 1.00 3.33 O ATOM 1442 CB ARG A 94 0.068 -13.668 -7.217 1.00 33.32 C ATOM 1443 CG ARG A 94 1.190 -13.730 -6.165 1.00 5.22 C ATOM 1444 CD ARG A 94 0.823 -14.621 -4.972 1.00 65.33 C ATOM 1445 NE ARG A 94 0.956 -16.062 -5.255 1.00 12.32 N ATOM 1446 CZ ARG A 94 0.958 -17.016 -4.317 1.00 63.24 C ATOM 1447 NH1 ARG A 94 0.540 -16.745 -3.080 1.00 43.11 N ATOM 1448 NH2 ARG A 94 1.388 -18.238 -4.614 1.00 12.20 N ATOM 0 H ARG A 94 2.434 -12.646 -8.587 1.00 12.03 H new ATOM 0 HA ARG A 94 -0.478 -12.862 -9.097 1.00 41.13 H new ATOM 0 HB2 ARG A 94 -0.849 -13.335 -6.732 1.00 33.32 H new ATOM 0 HB3 ARG A 94 -0.117 -14.675 -7.592 1.00 33.32 H new ATOM 0 HG2 ARG A 94 2.101 -14.107 -6.630 1.00 5.22 H new ATOM 0 HG3 ARG A 94 1.407 -12.723 -5.810 1.00 5.22 H new ATOM 0 HD2 ARG A 94 1.461 -14.364 -4.126 1.00 65.33 H new ATOM 0 HD3 ARG A 94 -0.204 -14.410 -4.673 1.00 65.33 H new ATOM 0 HE ARG A 94 1.053 -16.350 -6.229 1.00 12.32 H new ATOM 0 HH11 ARG A 94 0.217 -15.807 -2.845 1.00 43.11 H new ATOM 0 HH12 ARG A 94 0.544 -17.476 -2.369 1.00 43.11 H new ATOM 0 HH21 ARG A 94 1.716 -18.448 -5.557 1.00 12.20 H new ATOM 0 HH22 ARG A 94 1.390 -18.966 -3.899 1.00 12.20 H new ATOM 1462 N SER A 95 -0.680 -10.596 -7.768 1.00 62.32 N ATOM 1463 CA SER A 95 -0.645 -9.157 -7.511 1.00 61.52 C ATOM 1464 C SER A 95 -1.589 -8.732 -6.384 1.00 41.04 C ATOM 1465 O SER A 95 -2.529 -9.444 -6.019 1.00 34.51 O ATOM 1466 CB SER A 95 -0.879 -8.349 -8.798 1.00 2.22 C ATOM 1467 OG SER A 95 -0.455 -9.004 -9.988 1.00 3.00 O ATOM 0 H SER A 95 -1.605 -11.022 -7.704 1.00 62.32 H new ATOM 0 HA SER A 95 0.361 -8.927 -7.160 1.00 61.52 H new ATOM 0 HB2 SER A 95 -1.942 -8.122 -8.882 1.00 2.22 H new ATOM 0 HB3 SER A 95 -0.355 -7.397 -8.715 1.00 2.22 H new ATOM 0 HG SER A 95 -0.638 -8.430 -10.761 1.00 3.00 H new ATOM 1473 N PHE A 96 -1.343 -7.534 -5.863 1.00 51.13 N ATOM 1474 CA PHE A 96 -2.003 -6.907 -4.735 1.00 53.35 C ATOM 1475 C PHE A 96 -2.435 -5.490 -5.101 1.00 10.12 C ATOM 1476 O PHE A 96 -1.996 -4.899 -6.092 1.00 65.53 O ATOM 1477 CB PHE A 96 -1.036 -6.836 -3.534 1.00 73.55 C ATOM 1478 CG PHE A 96 -1.449 -7.695 -2.371 1.00 5.03 C ATOM 1479 CD1 PHE A 96 -1.086 -9.051 -2.348 1.00 65.13 C ATOM 1480 CD2 PHE A 96 -2.205 -7.141 -1.320 1.00 51.03 C ATOM 1481 CE1 PHE A 96 -1.518 -9.859 -1.283 1.00 54.45 C ATOM 1482 CE2 PHE A 96 -2.633 -7.955 -0.261 1.00 53.25 C ATOM 1483 CZ PHE A 96 -2.290 -9.313 -0.250 1.00 70.25 C ATOM 0 H PHE A 96 -0.618 -6.933 -6.254 1.00 51.13 H new ATOM 0 HA PHE A 96 -2.878 -7.501 -4.472 1.00 53.35 H new ATOM 0 HB2 PHE A 96 -0.041 -7.138 -3.862 1.00 73.55 H new ATOM 0 HB3 PHE A 96 -0.961 -5.801 -3.201 1.00 73.55 H new ATOM 0 HD1 PHE A 96 -0.482 -9.468 -3.140 1.00 65.13 H new ATOM 0 HD2 PHE A 96 -2.455 -6.090 -1.329 1.00 51.03 H new ATOM 0 HE1 PHE A 96 -1.254 -10.906 -1.261 1.00 54.45 H new ATOM 0 HE2 PHE A 96 -3.223 -7.537 0.541 1.00 53.25 H new ATOM 0 HZ PHE A 96 -2.623 -9.944 0.561 1.00 70.25 H new ATOM 1493 N THR A 97 -3.226 -4.875 -4.232 1.00 14.21 N ATOM 1494 CA THR A 97 -3.256 -3.430 -4.084 1.00 30.31 C ATOM 1495 C THR A 97 -3.514 -3.149 -2.611 1.00 43.23 C ATOM 1496 O THR A 97 -4.400 -3.764 -2.017 1.00 63.41 O ATOM 1497 CB THR A 97 -4.330 -2.800 -4.981 1.00 34.52 C ATOM 1498 OG1 THR A 97 -4.278 -3.374 -6.275 1.00 25.34 O ATOM 1499 CG2 THR A 97 -4.133 -1.300 -5.144 1.00 53.15 C ATOM 0 H THR A 97 -3.866 -5.368 -3.609 1.00 14.21 H new ATOM 0 HA THR A 97 -2.311 -2.986 -4.397 1.00 30.31 H new ATOM 0 HB THR A 97 -5.289 -2.988 -4.498 1.00 34.52 H new ATOM 0 HG1 THR A 97 -4.720 -2.778 -6.915 1.00 25.34 H new ATOM 0 HG21 THR A 97 -4.916 -0.898 -5.787 1.00 53.15 H new ATOM 0 HG22 THR A 97 -4.182 -0.818 -4.167 1.00 53.15 H new ATOM 0 HG23 THR A 97 -3.159 -1.108 -5.595 1.00 53.15 H new ATOM 1507 N VAL A 98 -2.732 -2.247 -2.035 1.00 13.23 N ATOM 1508 CA VAL A 98 -3.048 -1.570 -0.788 1.00 65.52 C ATOM 1509 C VAL A 98 -3.589 -0.223 -1.241 1.00 5.30 C ATOM 1510 O VAL A 98 -2.971 0.416 -2.086 1.00 43.44 O ATOM 1511 CB VAL A 98 -1.757 -1.485 0.057 1.00 11.34 C ATOM 1512 CG1 VAL A 98 -1.763 -0.505 1.241 1.00 61.45 C ATOM 1513 CG2 VAL A 98 -1.458 -2.873 0.630 1.00 34.50 C ATOM 0 H VAL A 98 -1.838 -1.959 -2.433 1.00 13.23 H new ATOM 0 HA VAL A 98 -3.778 -2.068 -0.150 1.00 65.52 H new ATOM 0 HB VAL A 98 -1.007 -1.108 -0.639 1.00 11.34 H new ATOM 0 HG11 VAL A 98 -0.800 -0.543 1.749 1.00 61.45 H new ATOM 0 HG12 VAL A 98 -1.941 0.506 0.875 1.00 61.45 H new ATOM 0 HG13 VAL A 98 -2.553 -0.783 1.939 1.00 61.45 H new ATOM 0 HG21 VAL A 98 -0.549 -2.831 1.230 1.00 34.50 H new ATOM 0 HG22 VAL A 98 -2.291 -3.196 1.255 1.00 34.50 H new ATOM 0 HG23 VAL A 98 -1.321 -3.582 -0.187 1.00 34.50 H new ATOM 1523 N CYS A 99 -4.742 0.199 -0.738 1.00 62.55 N ATOM 1524 CA CYS A 99 -5.137 1.593 -0.743 1.00 71.22 C ATOM 1525 C CYS A 99 -5.362 1.967 0.712 1.00 21.42 C ATOM 1526 O CYS A 99 -5.881 1.141 1.474 1.00 62.11 O ATOM 1527 CB CYS A 99 -6.400 1.778 -1.594 1.00 1.43 C ATOM 1528 SG CYS A 99 -6.689 3.544 -1.885 1.00 65.42 S ATOM 0 H CYS A 99 -5.430 -0.423 -0.314 1.00 62.55 H new ATOM 0 HA CYS A 99 -4.378 2.239 -1.184 1.00 71.22 H new ATOM 0 HB2 CYS A 99 -6.289 1.257 -2.545 1.00 1.43 H new ATOM 0 HB3 CYS A 99 -7.259 1.338 -1.087 1.00 1.43 H new ATOM 0 HG CYS A 99 -5.588 4.204 -1.678 1.00 65.42 H new ATOM 1534 N VAL A 100 -5.057 3.200 1.095 1.00 50.23 N ATOM 1535 CA VAL A 100 -5.334 3.737 2.422 1.00 71.24 C ATOM 1536 C VAL A 100 -6.062 5.060 2.231 1.00 12.34 C ATOM 1537 O VAL A 100 -5.696 5.824 1.342 1.00 22.31 O ATOM 1538 CB VAL A 100 -4.037 3.880 3.247 1.00 53.25 C ATOM 1539 CG1 VAL A 100 -3.399 2.506 3.491 1.00 31.50 C ATOM 1540 CG2 VAL A 100 -2.977 4.808 2.631 1.00 10.32 C ATOM 0 H VAL A 100 -4.599 3.871 0.478 1.00 50.23 H new ATOM 0 HA VAL A 100 -5.965 3.058 2.995 1.00 71.24 H new ATOM 0 HB VAL A 100 -4.356 4.343 4.181 1.00 53.25 H new ATOM 0 HG11 VAL A 100 -2.486 2.627 4.074 1.00 31.50 H new ATOM 0 HG12 VAL A 100 -4.097 1.873 4.038 1.00 31.50 H new ATOM 0 HG13 VAL A 100 -3.160 2.041 2.535 1.00 31.50 H new ATOM 0 HG21 VAL A 100 -2.103 4.845 3.282 1.00 10.32 H new ATOM 0 HG22 VAL A 100 -2.685 4.427 1.652 1.00 10.32 H new ATOM 0 HG23 VAL A 100 -3.390 5.811 2.522 1.00 10.32 H new ATOM 1550 N GLU A 101 -7.109 5.318 3.012 1.00 4.32 N ATOM 1551 CA GLU A 101 -7.717 6.633 3.182 1.00 43.41 C ATOM 1552 C GLU A 101 -7.210 7.209 4.510 1.00 41.13 C ATOM 1553 O GLU A 101 -7.038 6.479 5.496 1.00 74.15 O ATOM 1554 CB GLU A 101 -9.256 6.514 3.181 1.00 31.21 C ATOM 1555 CG GLU A 101 -10.027 7.827 2.985 1.00 3.21 C ATOM 1556 CD GLU A 101 -11.475 7.778 3.519 1.00 4.33 C ATOM 1557 OE1 GLU A 101 -12.097 6.693 3.560 1.00 21.22 O ATOM 1558 OE2 GLU A 101 -12.003 8.845 3.917 1.00 3.42 O ATOM 0 H GLU A 101 -7.571 4.593 3.561 1.00 4.32 H new ATOM 0 HA GLU A 101 -7.443 7.295 2.360 1.00 43.41 H new ATOM 0 HB2 GLU A 101 -9.548 5.822 2.391 1.00 31.21 H new ATOM 0 HB3 GLU A 101 -9.568 6.069 4.126 1.00 31.21 H new ATOM 0 HG2 GLU A 101 -9.490 8.632 3.487 1.00 3.21 H new ATOM 0 HG3 GLU A 101 -10.048 8.071 1.923 1.00 3.21 H new ATOM 1565 N ALA A 102 -7.018 8.527 4.527 1.00 72.24 N ATOM 1566 CA ALA A 102 -6.695 9.386 5.656 1.00 31.34 C ATOM 1567 C ALA A 102 -7.769 10.465 5.821 1.00 30.25 C ATOM 1568 O ALA A 102 -7.477 11.576 6.275 1.00 45.11 O ATOM 1569 CB ALA A 102 -5.327 10.038 5.446 1.00 13.44 C ATOM 0 H ALA A 102 -7.093 9.068 3.666 1.00 72.24 H new ATOM 0 HA ALA A 102 -6.662 8.779 6.561 1.00 31.34 H new ATOM 0 HB1 ALA A 102 -5.095 10.679 6.297 1.00 13.44 H new ATOM 0 HB2 ALA A 102 -4.565 9.264 5.356 1.00 13.44 H new ATOM 0 HB3 ALA A 102 -5.345 10.637 4.535 1.00 13.44 H new ATOM 1575 N GLY A 103 -9.005 10.170 5.437 1.00 54.24 N ATOM 1576 CA GLY A 103 -10.089 11.122 5.317 1.00 70.23 C ATOM 1577 C GLY A 103 -9.987 11.787 3.959 1.00 54.24 C ATOM 1578 O GLY A 103 -10.182 11.132 2.940 1.00 5.44 O ATOM 0 H GLY A 103 -9.285 9.220 5.192 1.00 54.24 H new ATOM 0 HA2 GLY A 103 -11.050 10.619 5.423 1.00 70.23 H new ATOM 0 HA3 GLY A 103 -10.030 11.867 6.110 1.00 70.23 H new ATOM 1582 N ASN A 104 -9.637 13.072 3.928 1.00 31.11 N ATOM 1583 CA ASN A 104 -9.700 13.867 2.700 1.00 4.41 C ATOM 1584 C ASN A 104 -8.670 13.458 1.650 1.00 21.11 C ATOM 1585 O ASN A 104 -8.699 14.010 0.550 1.00 34.13 O ATOM 1586 CB ASN A 104 -9.582 15.371 2.990 1.00 24.45 C ATOM 1587 CG ASN A 104 -10.490 15.869 4.093 1.00 31.22 C ATOM 1588 OD1 ASN A 104 -10.029 16.566 4.992 1.00 5.32 O ATOM 1589 ND2 ASN A 104 -11.751 15.488 4.086 1.00 52.20 N ATOM 0 H ASN A 104 -9.305 13.588 4.743 1.00 31.11 H new ATOM 0 HA ASN A 104 -10.684 13.659 2.279 1.00 4.41 H new ATOM 0 HB2 ASN A 104 -8.550 15.597 3.256 1.00 24.45 H new ATOM 0 HB3 ASN A 104 -9.804 15.923 2.077 1.00 24.45 H new ATOM 0 HD21 ASN A 104 -12.374 15.772 4.842 1.00 52.20 H new ATOM 0 HD22 ASN A 104 -12.105 14.909 3.325 1.00 52.20 H new ATOM 1596 N ALA A 105 -7.788 12.502 1.946 1.00 42.23 N ATOM 1597 CA ALA A 105 -6.855 11.962 0.981 1.00 30.24 C ATOM 1598 C ALA A 105 -6.821 10.453 1.042 1.00 63.12 C ATOM 1599 O ALA A 105 -7.041 9.868 2.103 1.00 61.21 O ATOM 1600 CB ALA A 105 -5.458 12.502 1.249 1.00 30.12 C ATOM 0 H ALA A 105 -7.708 12.083 2.873 1.00 42.23 H new ATOM 0 HA ALA A 105 -7.187 12.266 -0.012 1.00 30.24 H new ATOM 0 HB1 ALA A 105 -4.762 12.090 0.518 1.00 30.12 H new ATOM 0 HB2 ALA A 105 -5.467 13.589 1.169 1.00 30.12 H new ATOM 0 HB3 ALA A 105 -5.143 12.214 2.252 1.00 30.12 H new ATOM 1606 N PHE A 106 -6.421 9.850 -0.070 1.00 22.21 N ATOM 1607 CA PHE A 106 -6.055 8.454 -0.172 1.00 2.32 C ATOM 1608 C PHE A 106 -4.889 8.324 -1.157 1.00 30.35 C ATOM 1609 O PHE A 106 -4.596 9.247 -1.923 1.00 52.34 O ATOM 1610 CB PHE A 106 -7.273 7.611 -0.581 1.00 51.20 C ATOM 1611 CG PHE A 106 -8.159 8.179 -1.667 1.00 44.13 C ATOM 1612 CD1 PHE A 106 -9.203 9.057 -1.319 1.00 63.44 C ATOM 1613 CD2 PHE A 106 -7.964 7.814 -3.011 1.00 30.23 C ATOM 1614 CE1 PHE A 106 -10.042 9.578 -2.316 1.00 11.31 C ATOM 1615 CE2 PHE A 106 -8.817 8.322 -4.004 1.00 52.24 C ATOM 1616 CZ PHE A 106 -9.854 9.206 -3.658 1.00 54.01 C ATOM 0 H PHE A 106 -6.341 10.345 -0.958 1.00 22.21 H new ATOM 0 HA PHE A 106 -5.727 8.072 0.795 1.00 2.32 H new ATOM 0 HB2 PHE A 106 -6.916 6.635 -0.909 1.00 51.20 H new ATOM 0 HB3 PHE A 106 -7.885 7.445 0.305 1.00 51.20 H new ATOM 0 HD1 PHE A 106 -9.358 9.329 -0.285 1.00 63.44 H new ATOM 0 HD2 PHE A 106 -7.160 7.144 -3.279 1.00 30.23 H new ATOM 0 HE1 PHE A 106 -10.832 10.265 -2.052 1.00 11.31 H new ATOM 0 HE2 PHE A 106 -8.676 8.033 -5.035 1.00 52.24 H new ATOM 0 HZ PHE A 106 -10.506 9.599 -4.424 1.00 54.01 H new ATOM 1626 N ASP A 107 -4.218 7.177 -1.145 1.00 62.40 N ATOM 1627 CA ASP A 107 -3.202 6.782 -2.118 1.00 25.24 C ATOM 1628 C ASP A 107 -3.205 5.262 -2.170 1.00 31.11 C ATOM 1629 O ASP A 107 -3.634 4.596 -1.221 1.00 65.11 O ATOM 1630 CB ASP A 107 -1.816 7.323 -1.732 1.00 52.41 C ATOM 1631 CG ASP A 107 -0.724 7.158 -2.795 1.00 13.22 C ATOM 1632 OD1 ASP A 107 -1.008 6.764 -3.952 1.00 30.35 O ATOM 1633 OD2 ASP A 107 0.438 7.461 -2.447 1.00 70.51 O ATOM 0 H ASP A 107 -4.372 6.467 -0.429 1.00 62.40 H new ATOM 0 HA ASP A 107 -3.429 7.201 -3.098 1.00 25.24 H new ATOM 0 HB2 ASP A 107 -1.912 8.383 -1.496 1.00 52.41 H new ATOM 0 HB3 ASP A 107 -1.490 6.822 -0.821 1.00 52.41 H new ATOM 1638 N GLU A 108 -2.734 4.705 -3.275 1.00 73.54 N ATOM 1639 CA GLU A 108 -2.977 3.343 -3.701 1.00 43.43 C ATOM 1640 C GLU A 108 -1.685 2.799 -4.309 1.00 11.42 C ATOM 1641 O GLU A 108 -1.138 3.376 -5.256 1.00 74.22 O ATOM 1642 CB GLU A 108 -4.166 3.361 -4.671 1.00 32.30 C ATOM 1643 CG GLU A 108 -4.593 1.971 -5.142 1.00 50.42 C ATOM 1644 CD GLU A 108 -5.744 2.061 -6.147 1.00 41.25 C ATOM 1645 OE1 GLU A 108 -5.470 2.383 -7.331 1.00 5.43 O ATOM 1646 OE2 GLU A 108 -6.921 1.839 -5.790 1.00 31.21 O ATOM 0 H GLU A 108 -2.143 5.219 -3.928 1.00 73.54 H new ATOM 0 HA GLU A 108 -3.243 2.677 -2.880 1.00 43.43 H new ATOM 0 HB2 GLU A 108 -5.013 3.847 -4.186 1.00 32.30 H new ATOM 0 HB3 GLU A 108 -3.906 3.966 -5.540 1.00 32.30 H new ATOM 0 HG2 GLU A 108 -3.745 1.462 -5.600 1.00 50.42 H new ATOM 0 HG3 GLU A 108 -4.900 1.371 -4.285 1.00 50.42 H new ATOM 1653 N PHE A 109 -1.190 1.703 -3.740 1.00 73.42 N ATOM 1654 CA PHE A 109 0.060 1.046 -4.066 1.00 45.34 C ATOM 1655 C PHE A 109 -0.227 -0.282 -4.766 1.00 74.15 C ATOM 1656 O PHE A 109 -0.641 -1.257 -4.131 1.00 25.40 O ATOM 1657 CB PHE A 109 0.915 0.879 -2.801 1.00 74.11 C ATOM 1658 CG PHE A 109 1.231 2.183 -2.088 1.00 64.11 C ATOM 1659 CD1 PHE A 109 1.724 3.288 -2.811 1.00 22.23 C ATOM 1660 CD2 PHE A 109 0.965 2.319 -0.711 1.00 70.34 C ATOM 1661 CE1 PHE A 109 1.902 4.524 -2.170 1.00 63.21 C ATOM 1662 CE2 PHE A 109 1.141 3.561 -0.074 1.00 74.51 C ATOM 1663 CZ PHE A 109 1.600 4.666 -0.807 1.00 54.23 C ATOM 0 H PHE A 109 -1.689 1.224 -2.991 1.00 73.42 H new ATOM 0 HA PHE A 109 0.638 1.660 -4.757 1.00 45.34 H new ATOM 0 HB2 PHE A 109 0.395 0.216 -2.109 1.00 74.11 H new ATOM 0 HB3 PHE A 109 1.851 0.389 -3.070 1.00 74.11 H new ATOM 0 HD1 PHE A 109 1.965 3.184 -3.859 1.00 22.23 H new ATOM 0 HD2 PHE A 109 0.625 1.466 -0.142 1.00 70.34 H new ATOM 0 HE1 PHE A 109 2.273 5.370 -2.729 1.00 63.21 H new ATOM 0 HE2 PHE A 109 0.923 3.664 0.979 1.00 74.51 H new ATOM 0 HZ PHE A 109 1.721 5.624 -0.323 1.00 54.23 H new ATOM 1673 N LYS A 110 -0.032 -0.327 -6.086 1.00 10.12 N ATOM 1674 CA LYS A 110 -0.269 -1.505 -6.919 1.00 70.31 C ATOM 1675 C LYS A 110 0.941 -2.437 -6.851 1.00 14.32 C ATOM 1676 O LYS A 110 1.825 -2.384 -7.706 1.00 11.33 O ATOM 1677 CB LYS A 110 -0.614 -1.056 -8.351 1.00 11.34 C ATOM 1678 CG LYS A 110 -1.547 -2.022 -9.081 1.00 64.23 C ATOM 1679 CD LYS A 110 -0.883 -3.348 -9.479 1.00 14.41 C ATOM 1680 CE LYS A 110 -1.783 -4.059 -10.491 1.00 3.01 C ATOM 1681 NZ LYS A 110 -1.747 -3.421 -11.826 1.00 22.53 N ATOM 0 H LYS A 110 0.304 0.476 -6.617 1.00 10.12 H new ATOM 0 HA LYS A 110 -1.122 -2.075 -6.550 1.00 70.31 H new ATOM 0 HB2 LYS A 110 -1.080 -0.071 -8.313 1.00 11.34 H new ATOM 0 HB3 LYS A 110 0.308 -0.951 -8.923 1.00 11.34 H new ATOM 0 HG2 LYS A 110 -2.405 -2.234 -8.444 1.00 64.23 H new ATOM 0 HG3 LYS A 110 -1.929 -1.535 -9.978 1.00 64.23 H new ATOM 0 HD2 LYS A 110 0.101 -3.164 -9.911 1.00 14.41 H new ATOM 0 HD3 LYS A 110 -0.733 -3.975 -8.600 1.00 14.41 H new ATOM 0 HE2 LYS A 110 -1.472 -5.100 -10.581 1.00 3.01 H new ATOM 0 HE3 LYS A 110 -2.808 -4.063 -10.121 1.00 3.01 H new ATOM 0 HZ1 LYS A 110 -2.079 -4.097 -12.543 1.00 22.53 H new ATOM 0 HZ2 LYS A 110 -2.364 -2.584 -11.828 1.00 22.53 H new ATOM 0 HZ3 LYS A 110 -0.772 -3.133 -12.047 1.00 22.53 H new ATOM 1695 N PHE A 111 1.018 -3.255 -5.809 1.00 32.41 N ATOM 1696 CA PHE A 111 2.070 -4.251 -5.648 1.00 41.01 C ATOM 1697 C PHE A 111 1.854 -5.407 -6.629 1.00 53.25 C ATOM 1698 O PHE A 111 0.739 -5.906 -6.757 1.00 2.01 O ATOM 1699 CB PHE A 111 2.041 -4.748 -4.199 1.00 24.14 C ATOM 1700 CG PHE A 111 2.662 -3.823 -3.171 1.00 2.13 C ATOM 1701 CD1 PHE A 111 1.897 -2.824 -2.542 1.00 2.41 C ATOM 1702 CD2 PHE A 111 4.002 -4.013 -2.787 1.00 11.21 C ATOM 1703 CE1 PHE A 111 2.466 -2.032 -1.529 1.00 22.30 C ATOM 1704 CE2 PHE A 111 4.572 -3.223 -1.774 1.00 12.44 C ATOM 1705 CZ PHE A 111 3.801 -2.234 -1.142 1.00 70.13 C ATOM 0 H PHE A 111 0.344 -3.246 -5.043 1.00 32.41 H new ATOM 0 HA PHE A 111 3.045 -3.813 -5.863 1.00 41.01 H new ATOM 0 HB2 PHE A 111 1.004 -4.929 -3.918 1.00 24.14 H new ATOM 0 HB3 PHE A 111 2.555 -5.708 -4.154 1.00 24.14 H new ATOM 0 HD1 PHE A 111 0.871 -2.665 -2.838 1.00 2.41 H new ATOM 0 HD2 PHE A 111 4.597 -4.771 -3.274 1.00 11.21 H new ATOM 0 HE1 PHE A 111 1.875 -1.267 -1.048 1.00 22.30 H new ATOM 0 HE2 PHE A 111 5.601 -3.376 -1.482 1.00 12.44 H new ATOM 0 HZ PHE A 111 4.234 -1.629 -0.359 1.00 70.13 H new ATOM 1715 N VAL A 112 2.903 -5.921 -7.260 1.00 52.42 N ATOM 1716 CA VAL A 112 2.865 -7.071 -8.165 1.00 43.24 C ATOM 1717 C VAL A 112 4.078 -7.937 -7.799 1.00 72.55 C ATOM 1718 O VAL A 112 5.184 -7.401 -7.740 1.00 5.23 O ATOM 1719 CB VAL A 112 2.833 -6.574 -9.631 1.00 5.00 C ATOM 1720 CG1 VAL A 112 3.866 -5.481 -9.962 1.00 50.23 C ATOM 1721 CG2 VAL A 112 2.965 -7.735 -10.626 1.00 62.43 C ATOM 0 H VAL A 112 3.841 -5.536 -7.153 1.00 52.42 H new ATOM 0 HA VAL A 112 1.968 -7.682 -8.063 1.00 43.24 H new ATOM 0 HB VAL A 112 1.852 -6.110 -9.736 1.00 5.00 H new ATOM 0 HG11 VAL A 112 3.770 -5.195 -11.009 1.00 50.23 H new ATOM 0 HG12 VAL A 112 3.690 -4.610 -9.330 1.00 50.23 H new ATOM 0 HG13 VAL A 112 4.871 -5.863 -9.781 1.00 50.23 H new ATOM 0 HG21 VAL A 112 2.938 -7.346 -11.644 1.00 62.43 H new ATOM 0 HG22 VAL A 112 3.910 -8.251 -10.459 1.00 62.43 H new ATOM 0 HG23 VAL A 112 2.140 -8.433 -10.482 1.00 62.43 H new ATOM 1731 N GLN A 113 3.865 -9.223 -7.492 1.00 23.44 N ATOM 1732 CA GLN A 113 4.900 -10.177 -7.104 1.00 42.45 C ATOM 1733 C GLN A 113 5.107 -11.193 -8.226 1.00 63.52 C ATOM 1734 O GLN A 113 4.171 -11.858 -8.672 1.00 10.13 O ATOM 1735 CB GLN A 113 4.569 -10.869 -5.765 1.00 22.33 C ATOM 1736 CG GLN A 113 5.633 -11.942 -5.454 1.00 44.05 C ATOM 1737 CD GLN A 113 5.742 -12.321 -3.982 1.00 41.04 C ATOM 1738 OE1 GLN A 113 4.831 -12.907 -3.418 1.00 53.14 O ATOM 1739 NE2 GLN A 113 6.872 -12.047 -3.351 1.00 62.22 N ATOM 0 H GLN A 113 2.933 -9.638 -7.509 1.00 23.44 H new ATOM 0 HA GLN A 113 5.831 -9.633 -6.947 1.00 42.45 H new ATOM 0 HB2 GLN A 113 4.537 -10.132 -4.962 1.00 22.33 H new ATOM 0 HB3 GLN A 113 3.581 -11.327 -5.816 1.00 22.33 H new ATOM 0 HG2 GLN A 113 5.405 -12.839 -6.030 1.00 44.05 H new ATOM 0 HG3 GLN A 113 6.603 -11.582 -5.796 1.00 44.05 H new ATOM 0 HE21 GLN A 113 7.622 -11.557 -3.838 1.00 62.22 H new ATOM 0 HE22 GLN A 113 6.993 -12.326 -2.377 1.00 62.22 H new ATOM 1748 N ASP A 114 6.354 -11.329 -8.664 1.00 71.31 N ATOM 1749 CA ASP A 114 6.751 -12.317 -9.672 1.00 11.14 C ATOM 1750 C ASP A 114 6.708 -13.756 -9.140 1.00 50.03 C ATOM 1751 O ASP A 114 6.657 -14.008 -7.934 1.00 22.54 O ATOM 1752 CB ASP A 114 8.145 -11.970 -10.221 1.00 14.12 C ATOM 1753 CG ASP A 114 8.100 -10.850 -11.266 1.00 5.04 C ATOM 1754 OD1 ASP A 114 7.068 -10.667 -11.946 1.00 42.23 O ATOM 1755 OD2 ASP A 114 9.135 -10.164 -11.447 1.00 74.22 O ATOM 0 H ASP A 114 7.127 -10.754 -8.329 1.00 71.31 H new ATOM 0 HA ASP A 114 6.024 -12.271 -10.483 1.00 11.14 H new ATOM 0 HB2 ASP A 114 8.792 -11.669 -9.397 1.00 14.12 H new ATOM 0 HB3 ASP A 114 8.589 -12.860 -10.666 1.00 14.12 H new ATOM 1760 N ALA A 115 6.720 -14.717 -10.067 1.00 43.04 N ATOM 1761 CA ALA A 115 6.894 -16.139 -9.799 1.00 44.45 C ATOM 1762 C ALA A 115 8.336 -16.451 -9.448 1.00 42.23 C ATOM 1763 O ALA A 115 9.255 -15.778 -9.929 1.00 12.14 O ATOM 1764 CB ALA A 115 6.590 -16.915 -11.070 1.00 30.33 C ATOM 0 H ALA A 115 6.604 -14.514 -11.060 1.00 43.04 H new ATOM 0 HA ALA A 115 6.234 -16.410 -8.975 1.00 44.45 H new ATOM 0 HB1 ALA A 115 6.716 -17.982 -10.884 1.00 30.33 H new ATOM 0 HB2 ALA A 115 5.563 -16.720 -11.379 1.00 30.33 H new ATOM 0 HB3 ALA A 115 7.272 -16.601 -11.860 1.00 30.33 H new ATOM 1770 N ALA A 116 8.539 -17.563 -8.744 1.00 34.24 N ATOM 1771 CA ALA A 116 9.851 -18.175 -8.645 1.00 63.35 C ATOM 1772 C ALA A 116 10.300 -18.616 -10.037 1.00 50.15 C ATOM 1773 O ALA A 116 9.475 -18.910 -10.905 1.00 52.11 O ATOM 1774 CB ALA A 116 9.775 -19.361 -7.682 1.00 52.21 C ATOM 0 H ALA A 116 7.805 -18.055 -8.234 1.00 34.24 H new ATOM 0 HA ALA A 116 10.581 -17.464 -8.258 1.00 63.35 H new ATOM 0 HB1 ALA A 116 10.757 -19.828 -7.601 1.00 52.21 H new ATOM 0 HB2 ALA A 116 9.457 -19.012 -6.700 1.00 52.21 H new ATOM 0 HB3 ALA A 116 9.057 -20.090 -8.058 1.00 52.21 H new ATOM 1780 N LYS A 117 11.613 -18.690 -10.249 1.00 2.33 N ATOM 1781 CA LYS A 117 12.190 -19.267 -11.449 1.00 21.31 C ATOM 1782 C LYS A 117 13.347 -20.167 -11.042 1.00 64.11 C ATOM 1783 O LYS A 117 14.512 -19.773 -11.147 1.00 70.31 O ATOM 1784 CB LYS A 117 12.599 -18.161 -12.439 1.00 2.34 C ATOM 1785 CG LYS A 117 12.602 -18.771 -13.840 1.00 45.03 C ATOM 1786 CD LYS A 117 13.201 -17.834 -14.891 1.00 42.33 C ATOM 1787 CE LYS A 117 12.906 -18.328 -16.313 1.00 31.42 C ATOM 1788 NZ LYS A 117 13.331 -19.724 -16.536 1.00 62.42 N ATOM 0 H LYS A 117 12.306 -18.347 -9.584 1.00 2.33 H new ATOM 0 HA LYS A 117 11.457 -19.878 -11.975 1.00 21.31 H new ATOM 0 HB2 LYS A 117 11.902 -17.324 -12.387 1.00 2.34 H new ATOM 0 HB3 LYS A 117 13.585 -17.770 -12.190 1.00 2.34 H new ATOM 0 HG2 LYS A 117 13.168 -19.702 -13.825 1.00 45.03 H new ATOM 0 HG3 LYS A 117 11.580 -19.023 -14.124 1.00 45.03 H new ATOM 0 HD2 LYS A 117 12.794 -16.831 -14.761 1.00 42.33 H new ATOM 0 HD3 LYS A 117 14.279 -17.762 -14.745 1.00 42.33 H new ATOM 0 HE2 LYS A 117 11.837 -18.244 -16.507 1.00 31.42 H new ATOM 0 HE3 LYS A 117 13.412 -17.681 -17.029 1.00 31.42 H new ATOM 0 HZ1 LYS A 117 13.265 -19.949 -17.549 1.00 62.42 H new ATOM 0 HZ2 LYS A 117 14.314 -19.843 -16.218 1.00 62.42 H new ATOM 0 HZ3 LYS A 117 12.714 -20.365 -15.998 1.00 62.42 H new ATOM 1802 N GLN A 118 13.033 -21.332 -10.479 1.00 2.22 N ATOM 1803 CA GLN A 118 14.008 -22.241 -9.896 1.00 44.03 C ATOM 1804 C GLN A 118 13.691 -23.629 -10.403 1.00 25.11 C ATOM 1805 O GLN A 118 14.218 -23.981 -11.478 1.00 41.34 O ATOM 1806 CB GLN A 118 14.016 -22.111 -8.365 1.00 70.41 C ATOM 1807 CG GLN A 118 14.272 -20.660 -7.942 1.00 14.03 C ATOM 1808 CD GLN A 118 14.677 -20.553 -6.484 1.00 30.12 C ATOM 1809 OE1 GLN A 118 13.838 -20.593 -5.582 1.00 1.30 O ATOM 1810 NE2 GLN A 118 15.967 -20.406 -6.242 1.00 43.12 N ATOM 0 H GLN A 118 12.074 -21.674 -10.416 1.00 2.22 H new ATOM 0 HA GLN A 118 15.026 -21.998 -10.199 1.00 44.03 H new ATOM 0 HB2 GLN A 118 13.061 -22.449 -7.962 1.00 70.41 H new ATOM 0 HB3 GLN A 118 14.786 -22.758 -7.945 1.00 70.41 H new ATOM 0 HG2 GLN A 118 15.056 -20.234 -8.568 1.00 14.03 H new ATOM 0 HG3 GLN A 118 13.372 -20.069 -8.112 1.00 14.03 H new ATOM 0 HE21 GLN A 118 16.631 -20.378 -7.016 1.00 43.12 H new ATOM 0 HE22 GLN A 118 16.299 -20.321 -5.281 1.00 43.12 H new TER 1819 GLN A 118