USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 61 ASN : amide:sc= -1.4! X(o=-0.51!,f=-0.37) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.89 K(o=-0.51,f=-1.7) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0.382 USER MOD Set 2.2: A 68 THR OG1 : rot -134:sc= 0.402 USER MOD Set 3.1: A 24 LYS NZ :NH3+ -157:sc= 0.294 (180deg=-0.0195) USER MOD Set 3.2: A 25 ASN : amide:sc= -0.323 X(o=-0.028,f=0.043) USER MOD Set 4.1: A 6 GLN : amide:sc= -4.44! C(o=-4.1!,f=-6.4!) USER MOD Set 4.2: A 11 THR OG1 : rot 173:sc= 0.364 USER MOD Single : A 1 MET CE :methyl -135:sc= -0.473 (180deg=-1.44) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ 137:sc= 0.0294 (180deg=0) USER MOD Single : A 12 SER OG : rot 53:sc= 0.0261 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= -0.0453 (180deg=-0.0801) USER MOD Single : A 34 SER OG : rot 110:sc= -1.31 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc=-0.00837 (180deg=-0.113) USER MOD Single : A 47 ASN : amide:sc= 1.05 K(o=1.1,f=-0.033) USER MOD Single : A 50 ASN : amide:sc= -0.471 K(o=-0.47,f=-7.7!) USER MOD Single : A 56 LYS NZ :NH3+ 132:sc=-0.00391 (180deg=-0.158) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -13.3! C(o=-13!,f=-13!) USER MOD Single : A 64 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-6.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -139:sc= 0.0495 (180deg=-0.0269) USER MOD Single : A 74 ASN : amide:sc= -0.148 K(o=-0.15,f=-0.79) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 135:sc= 0.323 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -3.21 K(o=-3.2,f=-7.6!) USER MOD Single : A 96 ASN : amide:sc= -0.954 X(o=-0.95,f=-0.88) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -12.138 9.514 -12.596 1.00 12.65 N ATOM 2 CA MET A -4 -12.781 10.832 -12.402 1.00 12.53 C ATOM 3 C MET A -4 -13.400 10.912 -11.010 1.00 12.44 C ATOM 4 O MET A -4 -13.919 9.919 -10.498 1.00 12.69 O ATOM 5 CB MET A -4 -13.846 11.056 -13.480 1.00 12.61 C ATOM 6 CG MET A -4 -14.447 12.451 -13.472 1.00 12.98 C ATOM 7 SD MET A -4 -15.543 12.737 -14.874 1.00 13.01 S ATOM 8 CE MET A -4 -16.035 14.432 -14.567 1.00 13.01 C ATOM 0 H1 MET A -4 -12.365 9.153 -13.545 1.00 12.65 H new ATOM 0 H2 MET A -4 -11.107 9.613 -12.501 1.00 12.65 H new ATOM 0 H3 MET A -4 -12.489 8.847 -11.879 1.00 12.65 H new ATOM 0 HA MET A -4 -12.028 11.615 -12.490 1.00 12.53 H new ATOM 0 HB2 MET A -4 -13.404 10.867 -14.458 1.00 12.61 H new ATOM 0 HB3 MET A -4 -14.644 10.326 -13.345 1.00 12.61 H new ATOM 0 HG2 MET A -4 -15.001 12.599 -12.545 1.00 12.98 H new ATOM 0 HG3 MET A -4 -13.645 13.189 -13.485 1.00 12.98 H new ATOM 0 HE1 MET A -4 -16.718 14.760 -15.351 1.00 13.01 H new ATOM 0 HE2 MET A -4 -16.534 14.497 -13.600 1.00 13.01 H new ATOM 0 HE3 MET A -4 -15.153 15.072 -14.563 1.00 13.01 H new ATOM 20 N ARG A -3 -13.335 12.090 -10.398 1.00 12.29 N ATOM 21 CA ARG A -3 -13.819 12.270 -9.035 1.00 12.43 C ATOM 22 C ARG A -3 -15.082 13.120 -8.999 1.00 12.49 C ATOM 23 O ARG A -3 -15.288 13.981 -9.859 1.00 13.19 O ATOM 24 CB ARG A -3 -12.740 12.915 -8.164 1.00 12.66 C ATOM 25 CG ARG A -3 -12.367 14.330 -8.575 1.00 13.08 C ATOM 26 CD ARG A -3 -11.299 14.902 -7.662 1.00 13.33 C ATOM 27 NE ARG A -3 -10.955 16.281 -8.006 1.00 13.68 N ATOM 28 CZ ARG A -3 -9.821 16.875 -7.640 1.00 13.98 C ATOM 29 NH1 ARG A -3 -8.936 16.223 -6.893 1.00 13.97 N ATOM 30 NH2 ARG A -3 -9.579 18.126 -8.007 1.00 14.46 N ATOM 0 H ARG A -3 -12.952 12.934 -10.825 1.00 12.29 H new ATOM 0 HA ARG A -3 -14.059 11.283 -8.641 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -13.084 12.928 -7.130 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -11.846 12.293 -8.194 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -12.008 14.330 -9.604 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -13.252 14.965 -8.546 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -11.648 14.864 -6.630 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -10.405 14.282 -7.720 1.00 13.33 H new ATOM 0 HE ARG A -3 -11.623 16.819 -8.558 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -9.125 15.265 -6.598 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -8.068 16.681 -6.614 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -10.262 18.634 -8.570 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -8.710 18.581 -7.726 1.00 14.46 H new ATOM 44 N SER A -2 -15.915 12.875 -7.997 1.00 11.93 N ATOM 45 CA SER A -2 -17.148 13.623 -7.819 1.00 12.17 C ATOM 46 C SER A -2 -16.996 14.636 -6.685 1.00 11.88 C ATOM 47 O SER A -2 -16.959 14.261 -5.510 1.00 11.14 O ATOM 48 CB SER A -2 -18.298 12.660 -7.516 1.00 12.01 C ATOM 49 OG SER A -2 -18.380 11.644 -8.501 1.00 11.89 O ATOM 0 H SER A -2 -15.755 12.157 -7.290 1.00 11.93 H new ATOM 0 HA SER A -2 -17.369 14.164 -8.739 1.00 12.17 H new ATOM 0 HB2 SER A -2 -18.151 12.209 -6.534 1.00 12.01 H new ATOM 0 HB3 SER A -2 -19.238 13.211 -7.477 1.00 12.01 H new ATOM 0 HG SER A -2 -19.121 11.039 -8.286 1.00 11.89 H new ATOM 55 N PRO A -1 -16.887 15.931 -7.025 1.00 12.62 N ATOM 56 CA PRO A -1 -16.730 17.002 -6.037 1.00 12.63 C ATOM 57 C PRO A -1 -17.897 17.059 -5.056 1.00 12.19 C ATOM 58 O PRO A -1 -19.062 17.148 -5.453 1.00 12.50 O ATOM 59 CB PRO A -1 -16.674 18.282 -6.883 1.00 13.78 C ATOM 60 CG PRO A -1 -17.239 17.902 -8.210 1.00 14.31 C ATOM 61 CD PRO A -1 -16.907 16.452 -8.400 1.00 13.65 C ATOM 0 HA PRO A -1 -15.844 16.853 -5.420 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -17.253 19.083 -6.424 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -15.651 18.645 -6.980 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -18.317 18.062 -8.236 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -16.808 18.509 -9.006 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -17.653 15.945 -9.012 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -15.945 16.320 -8.895 1.00 13.65 H new ATOM 69 N GLY A 0 -17.576 16.997 -3.774 1.00 11.64 N ATOM 70 CA GLY A 0 -18.598 17.032 -2.753 1.00 11.36 C ATOM 71 C GLY A 0 -18.616 15.771 -1.923 1.00 10.34 C ATOM 72 O GLY A 0 -19.328 15.688 -0.924 1.00 10.25 O ATOM 0 H GLY A 0 -16.622 16.923 -3.422 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -18.431 17.891 -2.103 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -19.573 17.171 -3.221 1.00 11.36 H new ATOM 76 N MET A 1 -17.837 14.784 -2.338 1.00 9.76 N ATOM 77 CA MET A 1 -17.735 13.533 -1.605 1.00 8.91 C ATOM 78 C MET A 1 -16.475 12.785 -2.013 1.00 7.94 C ATOM 79 O MET A 1 -15.730 13.239 -2.884 1.00 7.83 O ATOM 80 CB MET A 1 -18.963 12.650 -1.851 1.00 9.07 C ATOM 81 CG MET A 1 -19.118 12.191 -3.292 1.00 9.23 C ATOM 82 SD MET A 1 -20.431 10.970 -3.487 1.00 9.52 S ATOM 83 CE MET A 1 -19.796 9.635 -2.471 1.00 10.00 C ATOM 0 H MET A 1 -17.265 14.826 -3.181 1.00 9.76 H new ATOM 0 HA MET A 1 -17.686 13.769 -0.542 1.00 8.91 H new ATOM 0 HB2 MET A 1 -18.902 11.773 -1.206 1.00 9.07 H new ATOM 0 HB3 MET A 1 -19.857 13.200 -1.558 1.00 9.07 H new ATOM 0 HG2 MET A 1 -19.330 13.053 -3.924 1.00 9.23 H new ATOM 0 HG3 MET A 1 -18.176 11.766 -3.638 1.00 9.23 H new ATOM 0 HE1 MET A 1 -19.911 8.689 -3.000 1.00 10.00 H new ATOM 0 HE2 MET A 1 -18.740 9.808 -2.261 1.00 10.00 H new ATOM 0 HE3 MET A 1 -20.350 9.596 -1.533 1.00 10.00 H new ATOM 93 N ALA A 2 -16.235 11.650 -1.378 1.00 7.42 N ATOM 94 CA ALA A 2 -15.114 10.800 -1.740 1.00 6.49 C ATOM 95 C ALA A 2 -15.524 9.853 -2.856 1.00 5.57 C ATOM 96 O ALA A 2 -16.455 9.065 -2.696 1.00 5.73 O ATOM 97 CB ALA A 2 -14.616 10.022 -0.531 1.00 6.46 C ATOM 0 H ALA A 2 -16.803 11.296 -0.608 1.00 7.42 H new ATOM 0 HA ALA A 2 -14.297 11.428 -2.094 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -13.776 9.392 -0.824 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -14.294 10.719 0.243 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -15.421 9.397 -0.144 1.00 6.46 H new ATOM 103 N ASP A 3 -14.848 9.946 -3.988 1.00 4.82 N ATOM 104 CA ASP A 3 -15.162 9.098 -5.129 1.00 4.07 C ATOM 105 C ASP A 3 -14.673 7.676 -4.889 1.00 3.42 C ATOM 106 O ASP A 3 -13.649 7.455 -4.236 1.00 3.36 O ATOM 107 CB ASP A 3 -14.547 9.665 -6.414 1.00 3.92 C ATOM 108 CG ASP A 3 -13.037 9.763 -6.351 1.00 3.91 C ATOM 109 OD1 ASP A 3 -12.525 10.761 -5.810 1.00 4.23 O ATOM 110 OD2 ASP A 3 -12.355 8.830 -6.829 1.00 4.05 O ATOM 0 H ASP A 3 -14.079 10.598 -4.143 1.00 4.82 H new ATOM 0 HA ASP A 3 -16.245 9.077 -5.248 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -14.830 9.033 -7.256 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -14.963 10.655 -6.604 1.00 3.92 H new ATOM 115 N GLN A 4 -15.415 6.717 -5.424 1.00 3.34 N ATOM 116 CA GLN A 4 -15.112 5.306 -5.229 1.00 3.48 C ATOM 117 C GLN A 4 -13.895 4.880 -6.043 1.00 2.99 C ATOM 118 O GLN A 4 -13.399 3.763 -5.894 1.00 3.54 O ATOM 119 CB GLN A 4 -16.322 4.456 -5.592 1.00 4.26 C ATOM 120 CG GLN A 4 -17.494 4.635 -4.638 1.00 4.71 C ATOM 121 CD GLN A 4 -18.684 3.767 -5.000 1.00 5.51 C ATOM 122 OE1 GLN A 4 -18.913 3.461 -6.172 1.00 5.74 O ATOM 123 NE2 GLN A 4 -19.451 3.364 -3.999 1.00 6.23 N ATOM 0 H GLN A 4 -16.238 6.892 -6.001 1.00 3.34 H new ATOM 0 HA GLN A 4 -14.874 5.153 -4.176 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -16.644 4.708 -6.602 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -16.029 3.406 -5.603 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -17.171 4.397 -3.624 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -17.800 5.681 -4.638 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -19.227 3.639 -3.043 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -20.265 2.778 -4.184 1.00 6.23 H new ATOM 132 N ARG A 5 -13.411 5.775 -6.896 1.00 2.50 N ATOM 133 CA ARG A 5 -12.212 5.527 -7.662 1.00 2.68 C ATOM 134 C ARG A 5 -10.969 5.886 -6.859 1.00 2.06 C ATOM 135 O ARG A 5 -9.853 5.884 -7.388 1.00 2.58 O ATOM 136 CB ARG A 5 -12.250 6.318 -8.956 1.00 3.25 C ATOM 137 CG ARG A 5 -12.880 5.547 -10.093 1.00 4.11 C ATOM 138 CD ARG A 5 -12.066 4.311 -10.430 1.00 4.98 C ATOM 139 NE ARG A 5 -10.735 4.643 -10.940 1.00 5.72 N ATOM 140 CZ ARG A 5 -9.668 3.854 -10.811 1.00 6.72 C ATOM 141 NH1 ARG A 5 -9.759 2.712 -10.132 1.00 7.07 N ATOM 142 NH2 ARG A 5 -8.507 4.211 -11.351 1.00 7.54 N ATOM 0 H ARG A 5 -13.840 6.684 -7.070 1.00 2.50 H new ATOM 0 HA ARG A 5 -12.167 4.463 -7.896 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -12.807 7.241 -8.796 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -11.235 6.602 -9.233 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -13.894 5.255 -9.821 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -12.957 6.187 -10.972 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -11.967 3.690 -9.539 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -12.600 3.719 -11.173 1.00 4.98 H new ATOM 0 HE ARG A 5 -10.616 5.533 -11.424 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -10.646 2.439 -9.709 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -8.941 2.110 -10.035 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -8.432 5.089 -11.864 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -7.691 3.607 -11.252 1.00 7.54 H new ATOM 156 N GLN A 6 -11.186 6.217 -5.587 1.00 1.28 N ATOM 157 CA GLN A 6 -10.111 6.443 -4.626 1.00 0.78 C ATOM 158 C GLN A 6 -9.359 7.740 -4.934 1.00 0.83 C ATOM 159 O GLN A 6 -8.522 7.810 -5.833 1.00 1.14 O ATOM 160 CB GLN A 6 -9.183 5.227 -4.573 1.00 0.87 C ATOM 161 CG GLN A 6 -9.903 3.962 -4.108 1.00 0.82 C ATOM 162 CD GLN A 6 -9.938 2.871 -5.164 1.00 1.10 C ATOM 163 OE1 GLN A 6 -9.876 3.140 -6.361 1.00 1.97 O ATOM 164 NE2 GLN A 6 -10.068 1.628 -4.727 1.00 1.15 N ATOM 0 H GLN A 6 -12.119 6.336 -5.193 1.00 1.28 H new ATOM 0 HA GLN A 6 -10.545 6.566 -3.634 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -8.756 5.056 -5.561 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.352 5.437 -3.899 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -9.410 3.578 -3.215 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -10.924 4.217 -3.824 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -10.116 1.442 -3.725 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -10.120 0.856 -5.392 1.00 1.15 H new ATOM 173 N ARG A 7 -9.654 8.751 -4.126 1.00 0.84 N ATOM 174 CA ARG A 7 -9.325 10.144 -4.429 1.00 1.03 C ATOM 175 C ARG A 7 -7.869 10.537 -4.177 1.00 0.98 C ATOM 176 O ARG A 7 -7.492 11.678 -4.444 1.00 1.17 O ATOM 177 CB ARG A 7 -10.244 11.062 -3.611 1.00 1.18 C ATOM 178 CG ARG A 7 -10.363 10.693 -2.136 1.00 1.16 C ATOM 179 CD ARG A 7 -9.109 11.046 -1.348 1.00 1.14 C ATOM 180 NE ARG A 7 -8.822 12.480 -1.377 1.00 1.61 N ATOM 181 CZ ARG A 7 -7.794 13.049 -0.744 1.00 1.80 C ATOM 182 NH1 ARG A 7 -6.978 12.317 0.007 1.00 1.51 N ATOM 183 NH2 ARG A 7 -7.596 14.359 -0.850 1.00 2.67 N ATOM 0 H ARG A 7 -10.132 8.629 -3.233 1.00 0.84 H new ATOM 0 HA ARG A 7 -9.478 10.259 -5.502 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -9.875 12.085 -3.687 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -11.239 11.048 -4.056 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -11.219 11.210 -1.703 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -10.557 9.624 -2.046 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -9.229 10.722 -0.314 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -8.259 10.499 -1.757 1.00 1.14 H new ATOM 0 HE ARG A 7 -9.446 13.082 -1.914 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -7.135 11.314 0.102 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -6.194 12.758 0.488 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -8.229 14.926 -1.414 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -6.811 14.797 -0.367 1.00 2.67 H new ATOM 197 N SER A 8 -7.055 9.639 -3.655 1.00 0.77 N ATOM 198 CA SER A 8 -5.703 10.025 -3.273 1.00 0.75 C ATOM 199 C SER A 8 -4.660 9.564 -4.294 1.00 0.75 C ATOM 200 O SER A 8 -4.432 10.224 -5.308 1.00 1.06 O ATOM 201 CB SER A 8 -5.367 9.500 -1.871 1.00 0.65 C ATOM 202 OG SER A 8 -4.112 9.985 -1.428 1.00 1.38 O ATOM 0 H SER A 8 -7.294 8.662 -3.487 1.00 0.77 H new ATOM 0 HA SER A 8 -5.670 11.114 -3.254 1.00 0.75 H new ATOM 0 HB2 SER A 8 -6.145 9.804 -1.170 1.00 0.65 H new ATOM 0 HB3 SER A 8 -5.355 8.410 -1.881 1.00 0.65 H new ATOM 0 HG SER A 8 -3.924 9.636 -0.532 1.00 1.38 H new ATOM 208 N LEU A 9 -4.052 8.422 -4.029 1.00 0.54 N ATOM 209 CA LEU A 9 -2.936 7.929 -4.827 1.00 0.53 C ATOM 210 C LEU A 9 -3.431 7.167 -6.061 1.00 0.55 C ATOM 211 O LEU A 9 -4.613 7.233 -6.408 1.00 0.59 O ATOM 212 CB LEU A 9 -1.983 7.064 -3.962 1.00 0.44 C ATOM 213 CG LEU A 9 -2.606 5.948 -3.102 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.053 6.471 -1.744 1.00 0.66 C ATOM 215 CD2 LEU A 9 -3.766 5.291 -3.818 1.00 0.65 C ATOM 0 H LEU A 9 -4.314 7.809 -3.257 1.00 0.54 H new ATOM 0 HA LEU A 9 -2.368 8.787 -5.186 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.251 6.605 -4.627 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.435 7.732 -3.298 1.00 0.44 H new ATOM 0 HG LEU A 9 -1.831 5.199 -2.937 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.487 5.656 -1.165 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.194 6.878 -1.210 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -3.798 7.254 -1.883 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.186 4.507 -3.187 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.532 6.037 -4.029 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.416 4.855 -4.754 1.00 0.65 H new HETATM 227 N SEP A 10 -2.535 6.433 -6.700 1.00 0.56 N HETATM 228 CA SEP A 10 -2.874 5.703 -7.904 1.00 0.60 C HETATM 229 CB SEP A 10 -1.682 5.676 -8.860 1.00 0.74 C HETATM 230 OG SEP A 10 -1.190 6.991 -9.105 1.00 1.08 O HETATM 231 C SEP A 10 -3.274 4.291 -7.521 1.00 0.47 C HETATM 232 O SEP A 10 -2.432 3.491 -7.111 1.00 0.46 O HETATM 233 P SEP A 10 0.224 6.837 -9.866 1.00 1.55 P HETATM 234 O1P SEP A 10 1.180 5.979 -8.948 1.00 2.41 O HETATM 235 O2P SEP A 10 0.897 8.274 -9.930 1.00 2.39 O HETATM 236 O3P SEP A 10 -0.046 6.244 -11.210 1.00 2.04 O HETATM 0 HB3 SEP A 10 -0.888 5.060 -8.438 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -1.978 5.214 -9.802 1.00 0.74 H new HETATM 0 HA SEP A 10 -3.704 6.195 -8.411 1.00 0.60 H new HETATM 0 H SEP A 10 -1.605 6.838 -6.594 1.00 0.56 H new ATOM 241 N THR A 11 -4.553 3.988 -7.634 1.00 0.43 N ATOM 242 CA THR A 11 -5.059 2.717 -7.172 1.00 0.36 C ATOM 243 C THR A 11 -4.853 1.605 -8.186 1.00 0.37 C ATOM 244 O THR A 11 -5.736 1.286 -8.982 1.00 0.44 O ATOM 245 CB THR A 11 -6.535 2.813 -6.775 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.158 3.924 -7.438 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.650 2.972 -5.273 1.00 0.54 C ATOM 0 H THR A 11 -5.256 4.605 -8.041 1.00 0.43 H new ATOM 0 HA THR A 11 -4.478 2.461 -6.286 1.00 0.36 H new ATOM 0 HB THR A 11 -7.044 1.898 -7.078 1.00 0.44 H new ATOM 0 HG1 THR A 11 -8.122 3.910 -7.264 1.00 0.60 H new ATOM 0 HG21 THR A 11 -7.701 3.040 -4.994 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.199 2.111 -4.780 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.133 3.880 -4.963 1.00 0.54 H new ATOM 255 N SER A 12 -3.663 1.038 -8.155 1.00 0.36 N ATOM 256 CA SER A 12 -3.350 -0.129 -8.946 1.00 0.40 C ATOM 257 C SER A 12 -2.651 -1.163 -8.075 1.00 0.34 C ATOM 258 O SER A 12 -1.423 -1.286 -8.092 1.00 0.41 O ATOM 259 CB SER A 12 -2.485 0.259 -10.148 1.00 0.53 C ATOM 260 OG SER A 12 -1.456 1.158 -9.767 1.00 1.26 O ATOM 0 H SER A 12 -2.890 1.375 -7.581 1.00 0.36 H new ATOM 0 HA SER A 12 -4.273 -0.566 -9.329 1.00 0.40 H new ATOM 0 HB2 SER A 12 -2.046 -0.636 -10.588 1.00 0.53 H new ATOM 0 HB3 SER A 12 -3.108 0.718 -10.915 1.00 0.53 H new ATOM 0 HG SER A 12 -0.958 0.783 -9.011 1.00 1.26 H new ATOM 266 N GLY A 13 -3.446 -1.884 -7.289 1.00 0.28 N ATOM 267 CA GLY A 13 -2.904 -2.901 -6.401 1.00 0.29 C ATOM 268 C GLY A 13 -2.245 -4.033 -7.154 1.00 0.27 C ATOM 269 O GLY A 13 -1.485 -4.811 -6.583 1.00 0.27 O ATOM 0 H GLY A 13 -4.460 -1.782 -7.251 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.177 -2.443 -5.730 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.705 -3.300 -5.779 1.00 0.29 H new ATOM 273 N GLU A 14 -2.512 -4.099 -8.447 1.00 0.28 N ATOM 274 CA GLU A 14 -1.974 -5.151 -9.295 1.00 0.26 C ATOM 275 C GLU A 14 -0.451 -5.058 -9.397 1.00 0.20 C ATOM 276 O GLU A 14 0.221 -6.030 -9.722 1.00 0.23 O ATOM 277 CB GLU A 14 -2.584 -5.048 -10.692 1.00 0.32 C ATOM 278 CG GLU A 14 -2.432 -3.665 -11.306 1.00 0.35 C ATOM 279 CD GLU A 14 -2.817 -3.628 -12.766 1.00 0.95 C ATOM 280 OE1 GLU A 14 -4.004 -3.384 -13.059 1.00 1.60 O ATOM 281 OE2 GLU A 14 -1.940 -3.849 -13.628 1.00 0.99 O ATOM 0 H GLU A 14 -3.105 -3.429 -8.937 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.230 -6.111 -8.846 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.112 -5.783 -11.344 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.643 -5.302 -10.640 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.050 -2.957 -10.754 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.398 -3.336 -11.199 1.00 0.35 H new ATOM 288 N SER A 15 0.081 -3.881 -9.108 1.00 0.21 N ATOM 289 CA SER A 15 1.505 -3.630 -9.247 1.00 0.22 C ATOM 290 C SER A 15 2.261 -4.060 -7.989 1.00 0.19 C ATOM 291 O SER A 15 3.484 -4.056 -7.972 1.00 0.22 O ATOM 292 CB SER A 15 1.747 -2.146 -9.538 1.00 0.31 C ATOM 293 OG SER A 15 3.034 -1.928 -10.088 1.00 0.74 O ATOM 0 H SER A 15 -0.456 -3.081 -8.774 1.00 0.21 H new ATOM 0 HA SER A 15 1.881 -4.221 -10.082 1.00 0.22 H new ATOM 0 HB2 SER A 15 0.988 -1.781 -10.230 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.641 -1.572 -8.618 1.00 0.31 H new ATOM 0 HG SER A 15 3.157 -0.972 -10.264 1.00 0.74 H new ATOM 299 N LEU A 16 1.515 -4.419 -6.943 1.00 0.16 N ATOM 300 CA LEU A 16 2.079 -4.780 -5.632 1.00 0.14 C ATOM 301 C LEU A 16 3.348 -5.623 -5.725 1.00 0.14 C ATOM 302 O LEU A 16 4.385 -5.245 -5.182 1.00 0.16 O ATOM 303 CB LEU A 16 1.033 -5.531 -4.818 1.00 0.16 C ATOM 304 CG LEU A 16 0.411 -4.735 -3.678 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.251 -3.272 -4.067 1.00 0.16 C ATOM 306 CD2 LEU A 16 -0.931 -5.338 -3.303 1.00 0.18 C ATOM 0 H LEU A 16 0.497 -4.469 -6.977 1.00 0.16 H new ATOM 0 HA LEU A 16 2.357 -3.846 -5.145 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.238 -5.858 -5.489 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.492 -6.430 -4.406 1.00 0.16 H new ATOM 0 HG LEU A 16 1.074 -4.782 -2.814 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.195 -2.722 -3.238 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.228 -2.848 -4.300 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.395 -3.197 -4.942 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.372 -4.765 -2.487 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.596 -5.311 -4.166 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.790 -6.371 -2.986 1.00 0.18 H new ATOM 318 N TYR A 17 3.268 -6.756 -6.411 1.00 0.17 N ATOM 319 CA TYR A 17 4.412 -7.661 -6.520 1.00 0.20 C ATOM 320 C TYR A 17 5.597 -6.996 -7.222 1.00 0.24 C ATOM 321 O TYR A 17 6.749 -7.366 -6.995 1.00 0.34 O ATOM 322 CB TYR A 17 4.022 -8.962 -7.238 1.00 0.25 C ATOM 323 CG TYR A 17 3.276 -8.780 -8.545 1.00 0.63 C ATOM 324 CD1 TYR A 17 3.928 -8.350 -9.694 1.00 1.22 C ATOM 325 CD2 TYR A 17 1.920 -9.063 -8.629 1.00 0.69 C ATOM 326 CE1 TYR A 17 3.250 -8.205 -10.887 1.00 1.66 C ATOM 327 CE2 TYR A 17 1.233 -8.919 -9.819 1.00 1.08 C ATOM 328 CZ TYR A 17 1.903 -8.489 -10.943 1.00 1.53 C ATOM 329 OH TYR A 17 1.224 -8.352 -12.132 1.00 1.99 O ATOM 0 H TYR A 17 2.430 -7.072 -6.899 1.00 0.17 H new ATOM 0 HA TYR A 17 4.723 -7.907 -5.505 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.928 -9.536 -7.432 1.00 0.25 H new ATOM 0 HB3 TYR A 17 3.405 -9.558 -6.566 1.00 0.25 H new ATOM 0 HD1 TYR A 17 4.984 -8.125 -9.653 1.00 1.22 H new ATOM 0 HD2 TYR A 17 1.393 -9.402 -7.749 1.00 0.69 H new ATOM 0 HE1 TYR A 17 3.772 -7.871 -11.771 1.00 1.66 H new ATOM 0 HE2 TYR A 17 0.177 -9.142 -9.868 1.00 1.08 H new ATOM 0 HH TYR A 17 0.283 -8.593 -12.001 1.00 1.99 H new ATOM 339 N HIS A 18 5.306 -6.005 -8.051 1.00 0.22 N ATOM 340 CA HIS A 18 6.329 -5.267 -8.782 1.00 0.26 C ATOM 341 C HIS A 18 6.918 -4.177 -7.909 1.00 0.23 C ATOM 342 O HIS A 18 8.093 -3.830 -8.027 1.00 0.29 O ATOM 343 CB HIS A 18 5.719 -4.641 -10.042 1.00 0.31 C ATOM 344 CG HIS A 18 6.656 -3.752 -10.805 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.715 -2.387 -10.621 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.570 -4.039 -11.761 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.619 -1.874 -11.430 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.153 -2.854 -12.131 1.00 1.74 N ATOM 0 H HIS A 18 4.354 -5.688 -8.237 1.00 0.22 H new ATOM 0 HA HIS A 18 7.121 -5.959 -9.067 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.377 -5.439 -10.701 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.840 -4.063 -9.757 1.00 0.31 H new ATOM 0 HD2 HIS A 18 7.798 -5.017 -12.158 1.00 1.37 H new ATOM 0 HE1 HIS A 18 7.878 -0.828 -11.506 1.00 1.96 H new ATOM 0 HE2 HIS A 18 8.883 -2.748 -12.836 1.00 1.74 H new ATOM 357 N VAL A 19 6.083 -3.653 -7.034 1.00 0.17 N ATOM 358 CA VAL A 19 6.449 -2.549 -6.168 1.00 0.16 C ATOM 359 C VAL A 19 7.711 -2.867 -5.370 1.00 0.17 C ATOM 360 O VAL A 19 8.612 -2.035 -5.250 1.00 0.20 O ATOM 361 CB VAL A 19 5.289 -2.207 -5.203 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.740 -1.247 -4.124 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.114 -1.616 -5.968 1.00 0.19 C ATOM 0 H VAL A 19 5.127 -3.982 -6.903 1.00 0.17 H new ATOM 0 HA VAL A 19 6.651 -1.685 -6.802 1.00 0.16 H new ATOM 0 HB VAL A 19 4.971 -3.134 -4.725 1.00 0.15 H new ATOM 0 HG11 VAL A 19 4.903 -1.025 -3.461 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.548 -1.699 -3.549 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.094 -0.324 -4.583 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.308 -1.382 -5.273 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.431 -0.705 -6.476 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.760 -2.337 -6.705 1.00 0.19 H new ATOM 373 N LEU A 20 7.784 -4.083 -4.855 1.00 0.18 N ATOM 374 CA LEU A 20 8.886 -4.468 -3.981 1.00 0.24 C ATOM 375 C LEU A 20 9.661 -5.677 -4.502 1.00 0.27 C ATOM 376 O LEU A 20 10.813 -5.886 -4.124 1.00 0.33 O ATOM 377 CB LEU A 20 8.382 -4.732 -2.556 1.00 0.28 C ATOM 378 CG LEU A 20 6.902 -5.093 -2.422 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.580 -6.369 -3.178 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.533 -5.235 -0.953 1.00 0.28 C ATOM 0 H LEU A 20 7.098 -4.819 -5.024 1.00 0.18 H new ATOM 0 HA LEU A 20 9.579 -3.627 -3.967 1.00 0.24 H new ATOM 0 HB2 LEU A 20 8.973 -5.542 -2.128 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.574 -3.844 -1.954 1.00 0.28 H new ATOM 0 HG LEU A 20 6.311 -4.289 -2.860 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.521 -6.601 -3.065 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.811 -6.234 -4.235 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.176 -7.189 -2.778 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.477 -5.492 -0.866 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.137 -6.022 -0.501 1.00 0.28 H new ATOM 0 HD23 LEU A 20 6.720 -4.293 -0.438 1.00 0.28 H new ATOM 392 N GLY A 21 9.039 -6.466 -5.364 1.00 0.27 N ATOM 393 CA GLY A 21 9.677 -7.678 -5.840 1.00 0.32 C ATOM 394 C GLY A 21 9.424 -8.857 -4.918 1.00 0.34 C ATOM 395 O GLY A 21 10.342 -9.611 -4.590 1.00 0.65 O ATOM 0 H GLY A 21 8.108 -6.291 -5.742 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.308 -7.913 -6.838 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.751 -7.511 -5.928 1.00 0.32 H new ATOM 399 N LEU A 22 8.178 -8.995 -4.487 1.00 0.19 N ATOM 400 CA LEU A 22 7.759 -10.099 -3.634 1.00 0.16 C ATOM 401 C LEU A 22 6.259 -10.306 -3.824 1.00 0.17 C ATOM 402 O LEU A 22 5.558 -9.377 -4.224 1.00 0.19 O ATOM 403 CB LEU A 22 8.075 -9.793 -2.155 1.00 0.14 C ATOM 404 CG LEU A 22 8.436 -11.002 -1.263 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.725 -12.240 -2.097 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.644 -10.689 -0.400 1.00 0.18 C ATOM 0 H LEU A 22 7.428 -8.344 -4.719 1.00 0.19 H new ATOM 0 HA LEU A 22 8.300 -11.005 -3.908 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.904 -9.085 -2.122 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.211 -9.292 -1.718 1.00 0.14 H new ATOM 0 HG LEU A 22 7.575 -11.202 -0.626 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.975 -13.072 -1.439 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.844 -12.496 -2.686 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.563 -12.041 -2.765 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.882 -11.553 0.220 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.496 -10.455 -1.038 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.423 -9.834 0.239 1.00 0.18 H new ATOM 418 N ASP A 23 5.780 -11.515 -3.563 1.00 0.18 N ATOM 419 CA ASP A 23 4.358 -11.837 -3.675 1.00 0.21 C ATOM 420 C ASP A 23 4.103 -13.279 -3.295 1.00 0.23 C ATOM 421 O ASP A 23 4.491 -14.185 -4.020 1.00 0.26 O ATOM 422 CB ASP A 23 3.813 -11.600 -5.094 1.00 0.29 C ATOM 423 CG ASP A 23 4.525 -12.402 -6.173 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.676 -12.058 -6.522 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.926 -13.375 -6.689 1.00 1.13 O ATOM 0 H ASP A 23 6.361 -12.300 -3.268 1.00 0.18 H new ATOM 0 HA ASP A 23 3.839 -11.168 -2.988 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.752 -11.850 -5.111 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.895 -10.539 -5.331 1.00 0.29 H new ATOM 430 N LYS A 24 3.470 -13.467 -2.136 1.00 0.23 N ATOM 431 CA LYS A 24 2.950 -14.771 -1.665 1.00 0.28 C ATOM 432 C LYS A 24 3.940 -15.939 -1.776 1.00 0.28 C ATOM 433 O LYS A 24 3.565 -17.088 -1.551 1.00 0.34 O ATOM 434 CB LYS A 24 1.644 -15.116 -2.395 1.00 0.35 C ATOM 435 CG LYS A 24 1.794 -15.241 -3.901 1.00 0.37 C ATOM 436 CD LYS A 24 1.773 -16.687 -4.354 1.00 0.43 C ATOM 437 CE LYS A 24 3.064 -17.051 -5.061 1.00 0.50 C ATOM 438 NZ LYS A 24 3.283 -16.221 -6.279 1.00 1.42 N ATOM 0 H LYS A 24 3.296 -12.707 -1.478 1.00 0.23 H new ATOM 0 HA LYS A 24 2.771 -14.642 -0.598 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.255 -16.054 -2.000 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.903 -14.347 -2.176 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.989 -14.695 -4.392 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.730 -14.777 -4.212 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.628 -17.340 -3.493 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.928 -16.850 -5.023 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.902 -16.920 -4.377 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.041 -18.105 -5.339 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.920 -16.722 -6.930 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.372 -16.049 -6.750 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 3.710 -15.312 -6.008 1.00 1.42 H new ATOM 452 N ASN A 25 5.189 -15.660 -2.105 1.00 0.25 N ATOM 453 CA ASN A 25 6.207 -16.692 -2.116 1.00 0.28 C ATOM 454 C ASN A 25 6.963 -16.638 -0.806 1.00 0.25 C ATOM 455 O ASN A 25 7.440 -17.648 -0.284 1.00 0.31 O ATOM 456 CB ASN A 25 7.203 -16.523 -3.273 1.00 0.31 C ATOM 457 CG ASN A 25 6.626 -16.863 -4.634 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.561 -18.030 -5.020 1.00 0.40 O ATOM 459 ND2 ASN A 25 6.241 -15.847 -5.386 1.00 0.37 N ATOM 0 H ASN A 25 5.520 -14.731 -2.367 1.00 0.25 H new ATOM 0 HA ASN A 25 5.708 -17.652 -2.250 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.558 -15.492 -3.287 1.00 0.31 H new ATOM 0 HB3 ASN A 25 8.071 -17.156 -3.088 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.874 -16.016 -6.323 1.00 0.37 H new ATOM 0 HD22 ASN A 25 6.311 -14.894 -5.030 1.00 0.37 H new ATOM 466 N ALA A 26 7.056 -15.425 -0.290 1.00 0.20 N ATOM 467 CA ALA A 26 7.744 -15.146 0.950 1.00 0.19 C ATOM 468 C ALA A 26 6.808 -15.291 2.117 1.00 0.19 C ATOM 469 O ALA A 26 5.586 -15.297 1.963 1.00 0.24 O ATOM 470 CB ALA A 26 8.307 -13.745 0.918 1.00 0.18 C ATOM 0 H ALA A 26 6.650 -14.599 -0.729 1.00 0.20 H new ATOM 0 HA ALA A 26 8.558 -15.862 1.065 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.825 -13.539 1.855 1.00 0.18 H new ATOM 0 HB2 ALA A 26 9.008 -13.653 0.088 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.495 -13.030 0.788 1.00 0.18 H new ATOM 476 N THR A 27 7.395 -15.405 3.278 1.00 0.21 N ATOM 477 CA THR A 27 6.654 -15.494 4.505 1.00 0.24 C ATOM 478 C THR A 27 6.340 -14.096 4.994 1.00 0.21 C ATOM 479 O THR A 27 6.724 -13.112 4.354 1.00 0.21 O ATOM 480 CB THR A 27 7.487 -16.227 5.563 1.00 0.30 C ATOM 481 OG1 THR A 27 8.554 -15.379 6.006 1.00 0.33 O ATOM 482 CG2 THR A 27 8.075 -17.493 4.974 1.00 0.35 C ATOM 0 H THR A 27 8.407 -15.439 3.399 1.00 0.21 H new ATOM 0 HA THR A 27 5.729 -16.045 4.333 1.00 0.24 H new ATOM 0 HB THR A 27 6.843 -16.483 6.404 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.085 -15.848 6.683 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.665 -18.007 5.733 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.270 -18.146 4.637 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.714 -17.238 4.128 1.00 0.35 H new ATOM 490 N SER A 28 5.674 -13.995 6.126 1.00 0.26 N ATOM 491 CA SER A 28 5.434 -12.704 6.739 1.00 0.32 C ATOM 492 C SER A 28 6.748 -12.037 7.128 1.00 0.31 C ATOM 493 O SER A 28 6.782 -10.860 7.465 1.00 0.41 O ATOM 494 CB SER A 28 4.493 -12.835 7.936 1.00 0.40 C ATOM 495 OG SER A 28 3.184 -13.179 7.505 1.00 1.54 O ATOM 0 H SER A 28 5.290 -14.789 6.639 1.00 0.26 H new ATOM 0 HA SER A 28 4.944 -12.063 6.007 1.00 0.32 H new ATOM 0 HB2 SER A 28 4.869 -13.596 8.620 1.00 0.40 H new ATOM 0 HB3 SER A 28 4.465 -11.896 8.489 1.00 0.40 H new ATOM 0 HG SER A 28 2.594 -13.261 8.283 1.00 1.54 H new ATOM 501 N ASP A 29 7.830 -12.798 7.090 1.00 0.27 N ATOM 502 CA ASP A 29 9.148 -12.236 7.311 1.00 0.34 C ATOM 503 C ASP A 29 9.646 -11.527 6.052 1.00 0.32 C ATOM 504 O ASP A 29 9.850 -10.314 6.069 1.00 0.44 O ATOM 505 CB ASP A 29 10.156 -13.309 7.729 1.00 0.38 C ATOM 506 CG ASP A 29 11.522 -12.722 8.040 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.347 -12.598 7.111 1.00 1.68 O ATOM 508 OD2 ASP A 29 11.786 -12.386 9.212 1.00 0.96 O ATOM 0 H ASP A 29 7.820 -13.802 6.909 1.00 0.27 H new ATOM 0 HA ASP A 29 9.061 -11.514 8.123 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.781 -13.836 8.606 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.252 -14.046 6.931 1.00 0.38 H new ATOM 513 N ASP A 30 9.778 -12.263 4.941 1.00 0.22 N ATOM 514 CA ASP A 30 10.476 -11.734 3.770 1.00 0.21 C ATOM 515 C ASP A 30 9.655 -10.680 3.050 1.00 0.16 C ATOM 516 O ASP A 30 10.200 -9.669 2.608 1.00 0.17 O ATOM 517 CB ASP A 30 10.874 -12.857 2.812 1.00 0.23 C ATOM 518 CG ASP A 30 12.108 -13.605 3.272 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.231 -13.126 3.002 1.00 1.81 O ATOM 520 OD2 ASP A 30 11.962 -14.683 3.890 1.00 1.22 O ATOM 0 H ASP A 30 9.416 -13.210 4.832 1.00 0.22 H new ATOM 0 HA ASP A 30 11.385 -11.252 4.130 1.00 0.21 H new ATOM 0 HB2 ASP A 30 10.044 -13.557 2.714 1.00 0.23 H new ATOM 0 HB3 ASP A 30 11.056 -12.438 1.822 1.00 0.23 H new ATOM 525 N ILE A 31 8.352 -10.919 2.926 1.00 0.14 N ATOM 526 CA ILE A 31 7.436 -9.934 2.365 1.00 0.14 C ATOM 527 C ILE A 31 7.654 -8.556 3.000 1.00 0.14 C ATOM 528 O ILE A 31 7.787 -7.549 2.303 1.00 0.16 O ATOM 529 CB ILE A 31 5.965 -10.340 2.599 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.651 -11.712 1.990 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.031 -9.279 2.034 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.542 -11.721 0.486 1.00 0.42 C ATOM 0 H ILE A 31 7.906 -11.792 3.209 1.00 0.14 H new ATOM 0 HA ILE A 31 7.641 -9.889 1.295 1.00 0.14 H new ATOM 0 HB ILE A 31 5.808 -10.416 3.675 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.429 -12.414 2.289 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.714 -12.076 2.411 1.00 0.38 H new ATOM 0 HG21 ILE A 31 3.996 -9.577 2.205 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.221 -8.326 2.528 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.206 -9.173 0.963 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.318 -12.731 0.143 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.744 -11.047 0.175 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.485 -11.391 0.051 1.00 0.42 H new ATOM 544 N LYS A 32 7.708 -8.526 4.329 1.00 0.17 N ATOM 545 CA LYS A 32 7.835 -7.271 5.060 1.00 0.21 C ATOM 546 C LYS A 32 9.227 -6.671 4.879 1.00 0.20 C ATOM 547 O LYS A 32 9.374 -5.456 4.750 1.00 0.21 O ATOM 548 CB LYS A 32 7.539 -7.482 6.545 1.00 0.29 C ATOM 549 CG LYS A 32 6.188 -8.124 6.802 1.00 0.33 C ATOM 550 CD LYS A 32 5.069 -7.365 6.120 1.00 0.35 C ATOM 551 CE LYS A 32 3.797 -8.185 6.064 1.00 0.43 C ATOM 552 NZ LYS A 32 3.214 -8.427 7.411 1.00 0.88 N ATOM 0 H LYS A 32 7.666 -9.356 4.920 1.00 0.17 H new ATOM 0 HA LYS A 32 7.105 -6.571 4.654 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.319 -8.108 6.979 1.00 0.29 H new ATOM 0 HB3 LYS A 32 7.580 -6.521 7.057 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.200 -9.154 6.444 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.001 -8.162 7.875 1.00 0.33 H new ATOM 0 HD2 LYS A 32 4.880 -6.434 6.655 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.374 -7.095 5.109 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.064 -7.671 5.442 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.006 -9.142 5.585 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.346 -8.992 7.317 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 3.900 -8.942 7.999 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 2.988 -7.517 7.860 1.00 0.88 H new ATOM 566 N LYS A 33 10.240 -7.532 4.862 1.00 0.21 N ATOM 567 CA LYS A 33 11.619 -7.101 4.645 1.00 0.22 C ATOM 568 C LYS A 33 11.761 -6.471 3.276 1.00 0.19 C ATOM 569 O LYS A 33 12.469 -5.477 3.103 1.00 0.19 O ATOM 570 CB LYS A 33 12.569 -8.287 4.727 1.00 0.28 C ATOM 571 CG LYS A 33 12.497 -9.049 6.035 1.00 0.35 C ATOM 572 CD LYS A 33 12.817 -8.162 7.224 1.00 0.49 C ATOM 573 CE LYS A 33 12.623 -8.904 8.534 1.00 0.62 C ATOM 574 NZ LYS A 33 13.473 -10.121 8.619 1.00 1.41 N ATOM 0 H LYS A 33 10.132 -8.537 4.997 1.00 0.21 H new ATOM 0 HA LYS A 33 11.868 -6.375 5.419 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.350 -8.972 3.908 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.589 -7.932 4.581 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.499 -9.471 6.155 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.196 -9.885 6.007 1.00 0.35 H new ATOM 0 HD2 LYS A 33 13.846 -7.811 7.152 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.177 -7.280 7.205 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.859 -8.239 9.365 1.00 0.62 H new ATOM 0 HE3 LYS A 33 11.575 -9.186 8.639 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.334 -10.578 9.543 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 13.208 -10.783 7.862 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.473 -9.855 8.512 1.00 1.41 H new ATOM 588 N SER A 34 11.081 -7.072 2.307 1.00 0.18 N ATOM 589 CA SER A 34 11.080 -6.576 0.944 1.00 0.18 C ATOM 590 C SER A 34 10.651 -5.121 0.922 1.00 0.19 C ATOM 591 O SER A 34 11.178 -4.332 0.152 1.00 0.30 O ATOM 592 CB SER A 34 10.149 -7.417 0.065 1.00 0.21 C ATOM 593 OG SER A 34 10.286 -7.075 -1.305 1.00 0.26 O ATOM 0 H SER A 34 10.519 -7.912 2.447 1.00 0.18 H new ATOM 0 HA SER A 34 12.091 -6.653 0.545 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.373 -8.475 0.202 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.116 -7.267 0.378 1.00 0.21 H new ATOM 0 HG SER A 34 10.724 -7.810 -1.783 1.00 0.26 H new ATOM 599 N TYR A 35 9.721 -4.775 1.801 1.00 0.17 N ATOM 600 CA TYR A 35 9.246 -3.400 1.910 1.00 0.18 C ATOM 601 C TYR A 35 10.299 -2.542 2.586 1.00 0.18 C ATOM 602 O TYR A 35 10.591 -1.432 2.150 1.00 0.26 O ATOM 603 CB TYR A 35 7.939 -3.333 2.717 1.00 0.22 C ATOM 604 CG TYR A 35 7.802 -2.065 3.550 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.338 -0.881 2.995 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.161 -2.058 4.896 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.235 0.273 3.752 1.00 0.40 C ATOM 608 CE2 TYR A 35 8.057 -0.911 5.659 1.00 0.38 C ATOM 609 CZ TYR A 35 7.596 0.249 5.083 1.00 0.42 C ATOM 610 OH TYR A 35 7.506 1.395 5.840 1.00 0.51 O ATOM 0 H TYR A 35 9.279 -5.427 2.450 1.00 0.17 H new ATOM 0 HA TYR A 35 9.056 -3.026 0.904 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.094 -3.400 2.031 1.00 0.22 H new ATOM 0 HB3 TYR A 35 7.884 -4.199 3.377 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.052 -0.860 1.954 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.527 -2.966 5.351 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.874 1.187 3.303 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.336 -0.926 6.702 1.00 0.38 H new ATOM 0 HH TYR A 35 7.797 1.206 6.756 1.00 0.51 H new ATOM 620 N ARG A 36 10.862 -3.088 3.650 1.00 0.16 N ATOM 621 CA ARG A 36 11.781 -2.351 4.507 1.00 0.19 C ATOM 622 C ARG A 36 12.936 -1.792 3.711 1.00 0.21 C ATOM 623 O ARG A 36 13.199 -0.598 3.748 1.00 0.23 O ATOM 624 CB ARG A 36 12.341 -3.232 5.616 1.00 0.25 C ATOM 625 CG ARG A 36 11.309 -3.720 6.612 1.00 0.29 C ATOM 626 CD ARG A 36 12.000 -4.321 7.824 1.00 0.42 C ATOM 627 NE ARG A 36 11.075 -4.930 8.781 1.00 0.83 N ATOM 628 CZ ARG A 36 11.470 -5.539 9.904 1.00 1.30 C ATOM 629 NH1 ARG A 36 12.761 -5.614 10.202 1.00 1.53 N ATOM 630 NH2 ARG A 36 10.578 -6.075 10.729 1.00 1.74 N ATOM 0 H ARG A 36 10.697 -4.050 3.945 1.00 0.16 H new ATOM 0 HA ARG A 36 11.208 -1.536 4.949 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.829 -4.096 5.165 1.00 0.25 H new ATOM 0 HB3 ARG A 36 13.110 -2.675 6.152 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.670 -2.893 6.921 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.664 -4.464 6.145 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.713 -5.075 7.489 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.573 -3.543 8.329 1.00 0.42 H new ATOM 0 HE ARG A 36 10.076 -4.888 8.581 1.00 0.83 H new ATOM 0 HH11 ARG A 36 13.454 -5.207 9.574 1.00 1.53 H new ATOM 0 HH12 ARG A 36 13.060 -6.079 11.059 1.00 1.53 H new ATOM 0 HH21 ARG A 36 9.584 -6.024 10.508 1.00 1.74 H new ATOM 0 HH22 ARG A 36 10.887 -6.538 11.584 1.00 1.74 H new ATOM 644 N LYS A 37 13.603 -2.661 2.967 1.00 0.35 N ATOM 645 CA LYS A 37 14.793 -2.279 2.218 1.00 0.45 C ATOM 646 C LYS A 37 14.495 -1.155 1.231 1.00 0.40 C ATOM 647 O LYS A 37 15.403 -0.468 0.783 1.00 0.43 O ATOM 648 CB LYS A 37 15.364 -3.489 1.473 1.00 0.67 C ATOM 649 CG LYS A 37 14.443 -4.032 0.393 1.00 0.78 C ATOM 650 CD LYS A 37 15.060 -5.223 -0.318 1.00 1.04 C ATOM 651 CE LYS A 37 14.178 -5.713 -1.456 1.00 0.85 C ATOM 652 NZ LYS A 37 14.754 -6.913 -2.117 1.00 1.37 N ATOM 0 H LYS A 37 13.339 -3.641 2.865 1.00 0.35 H new ATOM 0 HA LYS A 37 15.531 -1.915 2.933 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.315 -3.210 1.020 1.00 0.67 H new ATOM 0 HB3 LYS A 37 15.573 -4.281 2.192 1.00 0.67 H new ATOM 0 HG2 LYS A 37 13.492 -4.325 0.838 1.00 0.78 H new ATOM 0 HG3 LYS A 37 14.227 -3.246 -0.331 1.00 0.78 H new ATOM 0 HD2 LYS A 37 16.039 -4.947 -0.709 1.00 1.04 H new ATOM 0 HD3 LYS A 37 15.218 -6.032 0.395 1.00 1.04 H new ATOM 0 HE2 LYS A 37 13.186 -5.950 -1.072 1.00 0.85 H new ATOM 0 HE3 LYS A 37 14.054 -4.917 -2.190 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 14.127 -7.220 -2.888 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 15.690 -6.680 -2.505 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 14.849 -7.681 -1.422 1.00 1.37 H new ATOM 666 N LEU A 38 13.224 -0.988 0.889 1.00 0.45 N ATOM 667 CA LEU A 38 12.791 0.096 0.018 1.00 0.61 C ATOM 668 C LEU A 38 12.400 1.303 0.837 1.00 0.60 C ATOM 669 O LEU A 38 12.565 2.428 0.412 1.00 0.76 O ATOM 670 CB LEU A 38 11.572 -0.316 -0.767 1.00 1.00 C ATOM 671 CG LEU A 38 11.678 -1.621 -1.508 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.295 -2.212 -1.581 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.264 -1.404 -2.892 1.00 0.44 C ATOM 0 H LEU A 38 12.469 -1.596 1.205 1.00 0.45 H new ATOM 0 HA LEU A 38 13.620 0.331 -0.649 1.00 0.61 H new ATOM 0 HB2 LEU A 38 10.726 -0.377 -0.082 1.00 1.00 H new ATOM 0 HB3 LEU A 38 11.344 0.471 -1.486 1.00 1.00 H new ATOM 0 HG LEU A 38 12.348 -2.307 -0.989 1.00 0.27 H new ATOM 0 HD11 LEU A 38 10.333 -3.162 -2.113 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.916 -2.376 -0.572 1.00 0.57 H new ATOM 0 HD13 LEU A 38 9.634 -1.526 -2.110 1.00 0.57 H new ATOM 0 HD21 LEU A 38 12.333 -2.360 -3.412 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.622 -0.729 -3.457 1.00 0.44 H new ATOM 0 HD23 LEU A 38 13.259 -0.968 -2.802 1.00 0.44 H new ATOM 685 N ALA A 39 11.836 1.049 2.000 1.00 0.49 N ATOM 686 CA ALA A 39 11.309 2.098 2.846 1.00 0.59 C ATOM 687 C ALA A 39 12.380 3.108 3.207 1.00 0.57 C ATOM 688 O ALA A 39 12.223 4.299 2.949 1.00 0.72 O ATOM 689 CB ALA A 39 10.706 1.494 4.087 1.00 0.59 C ATOM 0 H ALA A 39 11.730 0.110 2.384 1.00 0.49 H new ATOM 0 HA ALA A 39 10.534 2.629 2.294 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.310 2.287 4.722 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.899 0.816 3.807 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.472 0.941 4.632 1.00 0.59 H new ATOM 695 N LEU A 40 13.482 2.645 3.786 1.00 0.44 N ATOM 696 CA LEU A 40 14.578 3.555 4.089 1.00 0.51 C ATOM 697 C LEU A 40 15.342 3.920 2.824 1.00 0.46 C ATOM 698 O LEU A 40 16.200 4.799 2.826 1.00 0.58 O ATOM 699 CB LEU A 40 15.529 3.031 5.199 1.00 0.56 C ATOM 700 CG LEU A 40 16.023 1.564 5.133 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.960 0.600 5.629 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.484 1.176 3.736 1.00 0.44 C ATOM 0 H LEU A 40 13.638 1.672 4.049 1.00 0.44 H new ATOM 0 HA LEU A 40 14.125 4.460 4.495 1.00 0.51 H new ATOM 0 HB2 LEU A 40 16.409 3.674 5.210 1.00 0.56 H new ATOM 0 HB3 LEU A 40 15.024 3.166 6.156 1.00 0.56 H new ATOM 0 HG LEU A 40 16.886 1.495 5.795 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.338 -0.421 5.570 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.710 0.835 6.664 1.00 0.48 H new ATOM 0 HD13 LEU A 40 14.067 0.693 5.010 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.821 0.139 3.739 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.656 1.286 3.036 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.306 1.824 3.431 1.00 0.44 H new ATOM 714 N LYS A 41 15.001 3.251 1.744 1.00 0.37 N ATOM 715 CA LYS A 41 15.646 3.475 0.469 1.00 0.40 C ATOM 716 C LYS A 41 14.956 4.596 -0.295 1.00 0.39 C ATOM 717 O LYS A 41 15.598 5.418 -0.943 1.00 0.48 O ATOM 718 CB LYS A 41 15.576 2.191 -0.307 1.00 0.51 C ATOM 719 CG LYS A 41 15.841 2.316 -1.776 1.00 0.62 C ATOM 720 CD LYS A 41 15.318 1.080 -2.434 1.00 0.65 C ATOM 721 CE LYS A 41 15.618 1.042 -3.908 1.00 0.72 C ATOM 722 NZ LYS A 41 17.025 0.647 -4.188 1.00 1.41 N ATOM 0 H LYS A 41 14.271 2.539 1.725 1.00 0.37 H new ATOM 0 HA LYS A 41 16.683 3.775 0.619 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.295 1.490 0.117 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.586 1.756 -0.169 1.00 0.51 H new ATOM 0 HG2 LYS A 41 15.351 3.202 -2.180 1.00 0.62 H new ATOM 0 HG3 LYS A 41 16.909 2.428 -1.965 1.00 0.62 H new ATOM 0 HD2 LYS A 41 15.755 0.204 -1.955 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.240 1.021 -2.284 1.00 0.65 H new ATOM 0 HE2 LYS A 41 14.942 0.340 -4.396 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.425 2.024 -4.341 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.184 0.635 -5.216 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 17.672 1.330 -3.745 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.203 -0.301 -3.799 1.00 1.41 H new ATOM 736 N TYR A 42 13.641 4.619 -0.196 1.00 0.36 N ATOM 737 CA TYR A 42 12.823 5.557 -0.955 1.00 0.36 C ATOM 738 C TYR A 42 12.283 6.680 -0.077 1.00 0.40 C ATOM 739 O TYR A 42 11.586 7.567 -0.558 1.00 0.40 O ATOM 740 CB TYR A 42 11.656 4.823 -1.619 1.00 0.33 C ATOM 741 CG TYR A 42 12.011 4.106 -2.905 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.079 4.775 -4.124 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.315 2.753 -2.889 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.437 4.114 -5.279 1.00 0.44 C ATOM 745 CE2 TYR A 42 12.670 2.084 -4.044 1.00 0.43 C ATOM 746 CZ TYR A 42 12.597 2.805 -5.293 1.00 0.45 C ATOM 747 OH TYR A 42 13.086 2.113 -6.392 1.00 0.52 O ATOM 0 H TYR A 42 13.108 3.994 0.408 1.00 0.36 H new ATOM 0 HA TYR A 42 13.462 6.002 -1.718 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.252 4.097 -0.913 1.00 0.33 H new ATOM 0 HB3 TYR A 42 10.863 5.541 -1.826 1.00 0.33 H new ATOM 0 HD1 TYR A 42 11.847 5.829 -4.165 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.273 2.212 -1.955 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.589 4.677 -6.188 1.00 0.44 H new ATOM 0 HE2 TYR A 42 12.992 1.054 -4.014 1.00 0.43 H new ATOM 0 HH TYR A 42 13.124 1.156 -6.185 1.00 0.52 H new ATOM 757 N HIS A 43 12.600 6.637 1.210 1.00 0.46 N ATOM 758 CA HIS A 43 12.129 7.651 2.149 1.00 0.53 C ATOM 759 C HIS A 43 12.705 9.020 1.784 1.00 0.56 C ATOM 760 O HIS A 43 13.913 9.219 1.865 1.00 0.62 O ATOM 761 CB HIS A 43 12.548 7.279 3.574 1.00 0.62 C ATOM 762 CG HIS A 43 11.492 7.524 4.610 1.00 0.71 C ATOM 763 ND1 HIS A 43 11.162 6.599 5.576 1.00 1.17 N ATOM 764 CD2 HIS A 43 10.701 8.599 4.840 1.00 0.87 C ATOM 765 CE1 HIS A 43 10.216 7.093 6.351 1.00 1.12 C ATOM 766 NE2 HIS A 43 9.919 8.303 5.926 1.00 0.87 N ATOM 0 H HIS A 43 13.181 5.911 1.630 1.00 0.46 H new ATOM 0 HA HIS A 43 11.041 7.698 2.094 1.00 0.53 H new ATOM 0 HB2 HIS A 43 12.824 6.225 3.596 1.00 0.62 H new ATOM 0 HB3 HIS A 43 13.439 7.848 3.839 1.00 0.62 H new ATOM 0 HD2 HIS A 43 10.689 9.518 4.273 1.00 0.87 H new ATOM 0 HE1 HIS A 43 9.762 6.590 7.192 1.00 1.12 H new ATOM 0 HE2 HIS A 43 9.220 8.921 6.338 1.00 0.87 H new ATOM 775 N PRO A 44 11.854 9.980 1.380 1.00 0.54 N ATOM 776 CA PRO A 44 12.298 11.329 0.981 1.00 0.58 C ATOM 777 C PRO A 44 13.064 12.043 2.087 1.00 0.68 C ATOM 778 O PRO A 44 13.889 12.912 1.821 1.00 0.72 O ATOM 779 CB PRO A 44 10.998 12.077 0.679 1.00 0.58 C ATOM 780 CG PRO A 44 9.915 11.255 1.292 1.00 0.57 C ATOM 781 CD PRO A 44 10.398 9.834 1.256 1.00 0.51 C ATOM 0 HA PRO A 44 12.984 11.283 0.135 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.016 13.081 1.102 1.00 0.58 H new ATOM 0 HB3 PRO A 44 10.848 12.186 -0.395 1.00 0.58 H new ATOM 0 HG2 PRO A 44 9.717 11.573 2.315 1.00 0.57 H new ATOM 0 HG3 PRO A 44 8.983 11.364 0.738 1.00 0.57 H new ATOM 0 HD2 PRO A 44 9.980 9.244 2.072 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.119 9.336 0.327 1.00 0.51 H new ATOM 789 N ASP A 45 12.782 11.675 3.326 1.00 0.74 N ATOM 790 CA ASP A 45 13.511 12.205 4.470 1.00 0.85 C ATOM 791 C ASP A 45 14.994 11.851 4.375 1.00 0.89 C ATOM 792 O ASP A 45 15.855 12.594 4.839 1.00 0.96 O ATOM 793 CB ASP A 45 12.917 11.652 5.766 1.00 0.92 C ATOM 794 CG ASP A 45 13.601 12.196 7.003 1.00 1.06 C ATOM 795 OD1 ASP A 45 13.336 13.359 7.373 1.00 1.11 O ATOM 796 OD2 ASP A 45 14.406 11.462 7.609 1.00 1.16 O ATOM 0 H ASP A 45 12.049 11.008 3.567 1.00 0.74 H new ATOM 0 HA ASP A 45 13.418 13.291 4.470 1.00 0.85 H new ATOM 0 HB2 ASP A 45 11.855 11.895 5.807 1.00 0.92 H new ATOM 0 HB3 ASP A 45 12.995 10.565 5.761 1.00 0.92 H new ATOM 801 N LYS A 46 15.282 10.719 3.743 1.00 0.87 N ATOM 802 CA LYS A 46 16.656 10.260 3.566 1.00 0.94 C ATOM 803 C LYS A 46 17.138 10.602 2.163 1.00 0.90 C ATOM 804 O LYS A 46 18.338 10.615 1.890 1.00 0.99 O ATOM 805 CB LYS A 46 16.745 8.747 3.784 1.00 1.00 C ATOM 806 CG LYS A 46 15.949 8.259 4.979 1.00 1.04 C ATOM 807 CD LYS A 46 16.055 6.753 5.161 1.00 1.13 C ATOM 808 CE LYS A 46 17.464 6.307 5.528 1.00 1.57 C ATOM 809 NZ LYS A 46 17.883 6.812 6.861 1.00 2.08 N ATOM 0 H LYS A 46 14.578 10.099 3.342 1.00 0.87 H new ATOM 0 HA LYS A 46 17.288 10.761 4.300 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.389 8.238 2.888 1.00 1.00 H new ATOM 0 HB3 LYS A 46 17.790 8.468 3.916 1.00 1.00 H new ATOM 0 HG2 LYS A 46 16.306 8.758 5.880 1.00 1.04 H new ATOM 0 HG3 LYS A 46 14.902 8.536 4.854 1.00 1.04 H new ATOM 0 HD2 LYS A 46 15.362 6.435 5.940 1.00 1.13 H new ATOM 0 HD3 LYS A 46 15.749 6.257 4.240 1.00 1.13 H new ATOM 0 HE2 LYS A 46 17.512 5.218 5.522 1.00 1.57 H new ATOM 0 HE3 LYS A 46 18.164 6.661 4.771 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 18.762 6.338 7.151 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.044 7.838 6.809 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 17.137 6.614 7.558 1.00 2.08 H new ATOM 823 N ASN A 47 16.189 10.886 1.281 1.00 0.79 N ATOM 824 CA ASN A 47 16.491 11.192 -0.109 1.00 0.77 C ATOM 825 C ASN A 47 15.775 12.470 -0.525 1.00 0.74 C ATOM 826 O ASN A 47 14.740 12.430 -1.193 1.00 0.66 O ATOM 827 CB ASN A 47 16.074 10.041 -1.032 1.00 0.69 C ATOM 828 CG ASN A 47 16.586 8.692 -0.563 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.667 8.248 -0.952 1.00 0.83 O ATOM 830 ND2 ASN A 47 15.817 8.032 0.288 1.00 0.71 N ATOM 0 H ASN A 47 15.195 10.911 1.508 1.00 0.79 H new ATOM 0 HA ASN A 47 17.568 11.330 -0.200 1.00 0.77 H new ATOM 0 HB2 ASN A 47 14.986 10.009 -1.095 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.446 10.236 -2.038 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.114 7.123 0.644 1.00 0.71 H new ATOM 0 HD22 ASN A 47 14.928 8.432 0.588 1.00 0.71 H new ATOM 837 N PRO A 48 16.290 13.617 -0.069 1.00 0.82 N ATOM 838 CA PRO A 48 15.733 14.937 -0.384 1.00 0.84 C ATOM 839 C PRO A 48 15.806 15.277 -1.868 1.00 0.84 C ATOM 840 O PRO A 48 16.606 14.699 -2.610 1.00 0.86 O ATOM 841 CB PRO A 48 16.615 15.898 0.412 1.00 0.93 C ATOM 842 CG PRO A 48 17.880 15.143 0.637 1.00 0.99 C ATOM 843 CD PRO A 48 17.454 13.718 0.817 1.00 0.92 C ATOM 0 HA PRO A 48 14.673 14.987 -0.133 1.00 0.84 H new ATOM 0 HB2 PRO A 48 16.796 16.820 -0.140 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.146 16.178 1.356 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.558 15.248 -0.210 1.00 0.99 H new ATOM 0 HG3 PRO A 48 18.408 15.511 1.516 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.242 13.021 0.532 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.195 13.500 1.853 1.00 0.92 H new ATOM 851 N ASP A 49 14.950 16.212 -2.283 1.00 0.85 N ATOM 852 CA ASP A 49 14.872 16.668 -3.675 1.00 0.89 C ATOM 853 C ASP A 49 14.319 15.560 -4.560 1.00 0.82 C ATOM 854 O ASP A 49 14.426 15.599 -5.787 1.00 0.88 O ATOM 855 CB ASP A 49 16.242 17.145 -4.185 1.00 0.98 C ATOM 856 CG ASP A 49 16.164 17.819 -5.543 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.474 18.855 -5.662 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.794 17.320 -6.501 1.00 1.09 O ATOM 0 H ASP A 49 14.288 16.677 -1.662 1.00 0.85 H new ATOM 0 HA ASP A 49 14.193 17.520 -3.717 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.671 17.841 -3.464 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.918 16.292 -4.246 1.00 0.98 H new ATOM 863 N ASN A 50 13.697 14.577 -3.936 1.00 0.74 N ATOM 864 CA ASN A 50 13.104 13.485 -4.679 1.00 0.68 C ATOM 865 C ASN A 50 11.652 13.289 -4.262 1.00 0.64 C ATOM 866 O ASN A 50 11.347 12.492 -3.376 1.00 0.61 O ATOM 867 CB ASN A 50 13.892 12.187 -4.483 1.00 0.65 C ATOM 868 CG ASN A 50 13.571 11.162 -5.547 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.491 11.173 -6.135 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.499 10.260 -5.796 1.00 0.74 N ATOM 0 H ASN A 50 13.591 14.514 -2.924 1.00 0.74 H new ATOM 0 HA ASN A 50 13.137 13.742 -5.738 1.00 0.68 H new ATOM 0 HB2 ASN A 50 14.960 12.405 -4.501 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.668 11.772 -3.500 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.333 9.538 -6.497 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.383 10.284 -5.287 1.00 0.74 H new ATOM 877 N PRO A 51 10.737 14.039 -4.890 1.00 0.67 N ATOM 878 CA PRO A 51 9.305 13.938 -4.616 1.00 0.68 C ATOM 879 C PRO A 51 8.738 12.638 -5.159 1.00 0.66 C ATOM 880 O PRO A 51 7.777 12.087 -4.627 1.00 0.67 O ATOM 881 CB PRO A 51 8.694 15.135 -5.358 1.00 0.78 C ATOM 882 CG PRO A 51 9.848 15.959 -5.831 1.00 0.79 C ATOM 883 CD PRO A 51 11.027 15.041 -5.916 1.00 0.73 C ATOM 0 HA PRO A 51 9.088 13.945 -3.548 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.082 14.803 -6.197 1.00 0.78 H new ATOM 0 HB3 PRO A 51 8.046 15.713 -4.699 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.633 16.404 -6.803 1.00 0.79 H new ATOM 0 HG3 PRO A 51 10.046 16.780 -5.141 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.118 14.592 -6.905 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.962 15.565 -5.716 1.00 0.73 H new ATOM 891 N GLU A 52 9.357 12.158 -6.229 1.00 0.66 N ATOM 892 CA GLU A 52 8.982 10.892 -6.841 1.00 0.67 C ATOM 893 C GLU A 52 9.185 9.748 -5.857 1.00 0.57 C ATOM 894 O GLU A 52 8.388 8.812 -5.798 1.00 0.56 O ATOM 895 CB GLU A 52 9.824 10.651 -8.091 1.00 0.72 C ATOM 896 CG GLU A 52 9.797 11.814 -9.064 1.00 0.95 C ATOM 897 CD GLU A 52 10.622 11.557 -10.306 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.836 11.855 -10.293 1.00 1.66 O ATOM 899 OE2 GLU A 52 10.060 11.059 -11.303 1.00 1.53 O ATOM 0 H GLU A 52 10.130 12.633 -6.695 1.00 0.66 H new ATOM 0 HA GLU A 52 7.929 10.936 -7.118 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.855 10.458 -7.795 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.464 9.755 -8.596 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.766 12.016 -9.353 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.169 12.709 -8.565 1.00 0.95 H new ATOM 906 N ALA A 53 10.258 9.844 -5.079 1.00 0.53 N ATOM 907 CA ALA A 53 10.581 8.831 -4.083 1.00 0.46 C ATOM 908 C ALA A 53 9.480 8.711 -3.042 1.00 0.42 C ATOM 909 O ALA A 53 9.239 7.630 -2.521 1.00 0.37 O ATOM 910 CB ALA A 53 11.913 9.138 -3.410 1.00 0.47 C ATOM 0 H ALA A 53 10.921 10.618 -5.120 1.00 0.53 H new ATOM 0 HA ALA A 53 10.665 7.875 -4.601 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.133 8.368 -2.670 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.704 9.157 -4.160 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.857 10.109 -2.917 1.00 0.47 H new ATOM 916 N ALA A 54 8.803 9.819 -2.755 1.00 0.45 N ATOM 917 CA ALA A 54 7.678 9.807 -1.827 1.00 0.44 C ATOM 918 C ALA A 54 6.579 8.891 -2.334 1.00 0.43 C ATOM 919 O ALA A 54 5.959 8.154 -1.569 1.00 0.41 O ATOM 920 CB ALA A 54 7.123 11.206 -1.646 1.00 0.51 C ATOM 0 H ALA A 54 9.014 10.735 -3.151 1.00 0.45 H new ATOM 0 HA ALA A 54 8.038 9.437 -0.867 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.284 11.178 -0.950 1.00 0.51 H new ATOM 0 HB2 ALA A 54 7.901 11.858 -1.249 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.784 11.590 -2.608 1.00 0.51 H new ATOM 926 N ASP A 55 6.354 8.945 -3.637 1.00 0.46 N ATOM 927 CA ASP A 55 5.337 8.131 -4.285 1.00 0.47 C ATOM 928 C ASP A 55 5.771 6.674 -4.318 1.00 0.39 C ATOM 929 O ASP A 55 4.969 5.767 -4.100 1.00 0.36 O ATOM 930 CB ASP A 55 5.096 8.643 -5.699 1.00 0.57 C ATOM 931 CG ASP A 55 3.974 7.903 -6.398 1.00 0.63 C ATOM 932 OD1 ASP A 55 2.807 8.332 -6.280 1.00 0.72 O ATOM 933 OD2 ASP A 55 4.254 6.890 -7.071 1.00 0.66 O ATOM 0 H ASP A 55 6.869 9.552 -4.274 1.00 0.46 H new ATOM 0 HA ASP A 55 4.409 8.201 -3.718 1.00 0.47 H new ATOM 0 HB2 ASP A 55 4.859 9.706 -5.662 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.012 8.541 -6.280 1.00 0.57 H new ATOM 938 N LYS A 56 7.049 6.452 -4.589 1.00 0.39 N ATOM 939 CA LYS A 56 7.619 5.114 -4.529 1.00 0.34 C ATOM 940 C LYS A 56 7.509 4.573 -3.112 1.00 0.28 C ATOM 941 O LYS A 56 7.134 3.426 -2.893 1.00 0.26 O ATOM 942 CB LYS A 56 9.084 5.147 -4.935 1.00 0.38 C ATOM 943 CG LYS A 56 9.374 5.943 -6.196 1.00 0.48 C ATOM 944 CD LYS A 56 9.291 5.096 -7.453 1.00 0.64 C ATOM 945 CE LYS A 56 7.900 4.531 -7.693 1.00 0.83 C ATOM 946 NZ LYS A 56 6.863 5.590 -7.833 1.00 0.98 N ATOM 0 H LYS A 56 7.711 7.182 -4.853 1.00 0.39 H new ATOM 0 HA LYS A 56 7.069 4.470 -5.215 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.665 5.567 -4.114 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.430 4.124 -5.080 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.666 6.768 -6.271 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.369 6.382 -6.123 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.586 5.699 -8.312 1.00 0.64 H new ATOM 0 HD3 LYS A 56 10.004 4.275 -7.380 1.00 0.64 H new ATOM 0 HE2 LYS A 56 7.912 3.919 -8.595 1.00 0.83 H new ATOM 0 HE3 LYS A 56 7.632 3.874 -6.866 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.279 5.395 -8.671 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 6.260 5.600 -6.985 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 7.325 6.516 -7.941 1.00 0.98 H new ATOM 960 N PHE A 57 7.820 5.433 -2.152 1.00 0.27 N ATOM 961 CA PHE A 57 7.739 5.093 -0.740 1.00 0.24 C ATOM 962 C PHE A 57 6.289 4.860 -0.343 1.00 0.24 C ATOM 963 O PHE A 57 5.998 4.233 0.668 1.00 0.26 O ATOM 964 CB PHE A 57 8.359 6.208 0.113 1.00 0.27 C ATOM 965 CG PHE A 57 8.263 5.959 1.591 1.00 0.27 C ATOM 966 CD1 PHE A 57 8.967 4.922 2.178 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.486 6.774 2.396 1.00 0.30 C ATOM 968 CE1 PHE A 57 8.896 4.702 3.537 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.409 6.557 3.756 1.00 0.34 C ATOM 970 CZ PHE A 57 8.058 5.478 4.317 1.00 0.37 C ATOM 0 H PHE A 57 8.136 6.386 -2.331 1.00 0.27 H new ATOM 0 HA PHE A 57 8.300 4.175 -0.565 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.408 6.322 -0.160 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.864 7.151 -0.121 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.579 4.278 1.564 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.933 7.590 1.954 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.493 3.925 3.992 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.841 7.231 4.380 1.00 0.34 H new ATOM 0 HZ PHE A 57 7.913 5.240 5.360 1.00 0.37 H new ATOM 980 N LYS A 58 5.390 5.362 -1.160 1.00 0.26 N ATOM 981 CA LYS A 58 3.975 5.261 -0.914 1.00 0.28 C ATOM 982 C LYS A 58 3.419 3.927 -1.422 1.00 0.26 C ATOM 983 O LYS A 58 2.583 3.308 -0.762 1.00 0.29 O ATOM 984 CB LYS A 58 3.299 6.460 -1.574 1.00 0.32 C ATOM 985 CG LYS A 58 1.854 6.243 -1.958 1.00 0.36 C ATOM 986 CD LYS A 58 1.229 7.514 -2.515 1.00 0.52 C ATOM 987 CE LYS A 58 1.409 8.688 -1.565 1.00 0.79 C ATOM 988 NZ LYS A 58 0.736 9.918 -2.057 1.00 1.41 N ATOM 0 H LYS A 58 5.626 5.856 -2.021 1.00 0.26 H new ATOM 0 HA LYS A 58 3.772 5.278 0.157 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.356 7.310 -0.894 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.861 6.729 -2.468 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.789 5.448 -2.701 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.290 5.911 -1.086 1.00 0.36 H new ATOM 0 HD2 LYS A 58 1.682 7.751 -3.478 1.00 0.52 H new ATOM 0 HD3 LYS A 58 0.166 7.350 -2.694 1.00 0.52 H new ATOM 0 HE2 LYS A 58 1.010 8.425 -0.586 1.00 0.79 H new ATOM 0 HE3 LYS A 58 2.473 8.886 -1.433 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 0.886 10.691 -1.378 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 1.134 10.186 -2.980 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 -0.283 9.739 -2.159 1.00 1.41 H new ATOM 1002 N GLU A 59 3.898 3.471 -2.576 1.00 0.25 N ATOM 1003 CA GLU A 59 3.468 2.181 -3.116 1.00 0.24 C ATOM 1004 C GLU A 59 4.096 1.030 -2.339 1.00 0.23 C ATOM 1005 O GLU A 59 3.464 -0.004 -2.122 1.00 0.25 O ATOM 1006 CB GLU A 59 3.802 2.062 -4.606 1.00 0.28 C ATOM 1007 CG GLU A 59 5.242 2.385 -4.951 1.00 0.32 C ATOM 1008 CD GLU A 59 5.515 2.286 -6.434 1.00 0.40 C ATOM 1009 OE1 GLU A 59 5.203 3.245 -7.172 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.042 1.243 -6.868 1.00 0.51 O ATOM 0 H GLU A 59 4.577 3.968 -3.152 1.00 0.25 H new ATOM 0 HA GLU A 59 2.385 2.124 -3.006 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.581 1.047 -4.936 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.148 2.729 -5.167 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.478 3.392 -4.607 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.903 1.703 -4.416 1.00 0.32 H new ATOM 1017 N ILE A 60 5.342 1.205 -1.920 1.00 0.23 N ATOM 1018 CA ILE A 60 6.009 0.194 -1.110 1.00 0.24 C ATOM 1019 C ILE A 60 5.402 0.173 0.282 1.00 0.24 C ATOM 1020 O ILE A 60 5.295 -0.877 0.913 1.00 0.27 O ATOM 1021 CB ILE A 60 7.526 0.445 -1.028 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.814 1.767 -0.325 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.116 0.446 -2.425 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.277 2.133 -0.270 1.00 0.28 C ATOM 0 H ILE A 60 5.907 2.029 -2.125 1.00 0.23 H new ATOM 0 HA ILE A 60 5.862 -0.776 -1.586 1.00 0.24 H new ATOM 0 HB ILE A 60 7.987 -0.353 -0.446 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.271 2.563 -0.835 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.425 1.717 0.692 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.190 0.624 -2.366 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.933 -0.519 -2.898 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.650 1.234 -3.016 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.395 3.086 0.246 1.00 0.28 H new ATOM 0 HD12 ILE A 60 9.826 1.359 0.267 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.669 2.218 -1.283 1.00 0.28 H new ATOM 1036 N ASN A 61 4.973 1.352 0.727 1.00 0.24 N ATOM 1037 CA ASN A 61 4.232 1.510 1.973 1.00 0.28 C ATOM 1038 C ASN A 61 2.968 0.653 1.931 1.00 0.29 C ATOM 1039 O ASN A 61 2.443 0.230 2.957 1.00 0.36 O ATOM 1040 CB ASN A 61 3.857 2.990 2.143 1.00 0.36 C ATOM 1041 CG ASN A 61 2.940 3.273 3.316 1.00 0.51 C ATOM 1042 OD1 ASN A 61 3.399 3.545 4.424 1.00 0.62 O ATOM 1043 ND2 ASN A 61 1.637 3.247 3.072 1.00 0.60 N ATOM 0 H ASN A 61 5.131 2.228 0.230 1.00 0.24 H new ATOM 0 HA ASN A 61 4.846 1.189 2.814 1.00 0.28 H new ATOM 0 HB2 ASN A 61 4.771 3.572 2.263 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.375 3.337 1.229 1.00 0.36 H new ATOM 0 HD21 ASN A 61 0.974 3.458 3.818 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.298 3.016 2.138 1.00 0.60 H new ATOM 1050 N ASN A 62 2.507 0.412 0.712 1.00 0.25 N ATOM 1051 CA ASN A 62 1.291 -0.342 0.454 1.00 0.27 C ATOM 1052 C ASN A 62 1.557 -1.842 0.439 1.00 0.22 C ATOM 1053 O ASN A 62 1.084 -2.571 1.299 1.00 0.20 O ATOM 1054 CB ASN A 62 0.744 0.054 -0.907 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.668 -0.399 -1.119 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.600 0.349 -0.891 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.828 -1.633 -1.557 1.00 0.21 N ATOM 0 H ASN A 62 2.973 0.739 -0.135 1.00 0.25 H new ATOM 0 HA ASN A 62 0.580 -0.118 1.249 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.793 1.138 -1.012 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.378 -0.370 -1.686 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.766 -1.999 -1.719 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.014 -2.221 -1.733 1.00 0.21 H new ATOM 1064 N ALA A 63 2.338 -2.283 -0.553 1.00 0.20 N ATOM 1065 CA ALA A 63 2.535 -3.710 -0.842 1.00 0.18 C ATOM 1066 C ALA A 63 3.092 -4.490 0.353 1.00 0.14 C ATOM 1067 O ALA A 63 3.049 -5.720 0.367 1.00 0.14 O ATOM 1068 CB ALA A 63 3.458 -3.866 -2.037 1.00 0.19 C ATOM 0 H ALA A 63 2.852 -1.662 -1.179 1.00 0.20 H new ATOM 0 HA ALA A 63 1.554 -4.131 -1.064 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.603 -4.925 -2.249 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.014 -3.379 -2.905 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.421 -3.406 -1.816 1.00 0.19 H new ATOM 1074 N HIS A 64 3.602 -3.753 1.334 1.00 0.13 N ATOM 1075 CA HIS A 64 4.241 -4.309 2.525 1.00 0.11 C ATOM 1076 C HIS A 64 3.512 -5.535 3.093 1.00 0.13 C ATOM 1077 O HIS A 64 4.098 -6.609 3.188 1.00 0.20 O ATOM 1078 CB HIS A 64 4.350 -3.187 3.577 1.00 0.15 C ATOM 1079 CG HIS A 64 4.602 -3.627 4.994 1.00 0.37 C ATOM 1080 ND1 HIS A 64 5.857 -3.891 5.497 1.00 1.02 N ATOM 1081 CD2 HIS A 64 3.747 -3.794 6.028 1.00 1.02 C ATOM 1082 CE1 HIS A 64 5.760 -4.196 6.778 1.00 1.00 C ATOM 1083 NE2 HIS A 64 4.490 -4.143 7.127 1.00 0.96 N ATOM 0 H HIS A 64 3.583 -2.733 1.325 1.00 0.13 H new ATOM 0 HA HIS A 64 5.230 -4.673 2.246 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.155 -2.515 3.279 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.427 -2.608 3.557 1.00 0.15 H new ATOM 0 HD1 HIS A 64 6.725 -3.856 4.963 1.00 1.02 H new ATOM 0 HD2 HIS A 64 2.674 -3.674 5.995 1.00 1.02 H new ATOM 0 HE1 HIS A 64 6.583 -4.447 7.430 1.00 1.00 H new ATOM 1092 N ALA A 65 2.259 -5.379 3.489 1.00 0.14 N ATOM 1093 CA ALA A 65 1.536 -6.473 4.130 1.00 0.17 C ATOM 1094 C ALA A 65 0.755 -7.333 3.142 1.00 0.13 C ATOM 1095 O ALA A 65 0.658 -8.546 3.318 1.00 0.14 O ATOM 1096 CB ALA A 65 0.596 -5.931 5.190 1.00 0.25 C ATOM 0 H ALA A 65 1.724 -4.517 3.381 1.00 0.14 H new ATOM 0 HA ALA A 65 2.288 -7.115 4.589 1.00 0.17 H new ATOM 0 HB1 ALA A 65 0.063 -6.757 5.660 1.00 0.25 H new ATOM 0 HB2 ALA A 65 1.170 -5.393 5.945 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.121 -5.253 4.728 1.00 0.25 H new ATOM 1102 N ILE A 66 0.233 -6.704 2.097 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.806 -7.304 1.247 1.00 0.12 C ATOM 1104 C ILE A 66 -0.443 -8.700 0.742 1.00 0.13 C ATOM 1105 O ILE A 66 -1.295 -9.581 0.653 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.105 -6.453 -0.001 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.628 -5.003 0.153 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.592 -6.494 -0.294 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.348 -4.213 1.214 1.00 0.14 C ATOM 0 H ILE A 66 0.512 -5.766 1.809 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.677 -7.359 1.900 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.551 -6.879 -0.837 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.437 -5.008 0.383 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.745 -4.493 -0.803 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.806 -5.892 -1.177 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.899 -7.524 -0.474 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.142 -6.095 0.558 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -0.944 -3.201 1.251 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.411 -4.171 0.978 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.210 -4.694 2.182 1.00 0.14 H new ATOM 1121 N LEU A 67 0.818 -8.879 0.405 1.00 0.12 N ATOM 1122 CA LEU A 67 1.287 -10.081 -0.277 1.00 0.14 C ATOM 1123 C LEU A 67 1.104 -11.331 0.569 1.00 0.16 C ATOM 1124 O LEU A 67 0.782 -12.402 0.059 1.00 0.21 O ATOM 1125 CB LEU A 67 2.759 -9.908 -0.615 1.00 0.15 C ATOM 1126 CG LEU A 67 3.111 -8.531 -1.160 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.580 -8.459 -1.520 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.223 -8.207 -2.352 1.00 0.16 C ATOM 0 H LEU A 67 1.553 -8.197 0.594 1.00 0.12 H new ATOM 0 HA LEU A 67 0.693 -10.211 -1.181 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.351 -10.095 0.281 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.044 -10.662 -1.349 1.00 0.15 H new ATOM 0 HG LEU A 67 2.931 -7.782 -0.389 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.811 -7.467 -1.908 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.182 -8.651 -0.632 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.805 -9.207 -2.280 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.479 -7.220 -2.739 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.375 -8.953 -3.132 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.179 -8.215 -2.040 1.00 0.16 H new ATOM 1140 N THR A 68 1.327 -11.182 1.856 1.00 0.15 N ATOM 1141 CA THR A 68 1.271 -12.303 2.775 1.00 0.18 C ATOM 1142 C THR A 68 0.041 -12.215 3.681 1.00 0.18 C ATOM 1143 O THR A 68 -0.449 -13.229 4.182 1.00 0.23 O ATOM 1144 CB THR A 68 2.563 -12.349 3.617 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.465 -13.324 4.666 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.859 -10.978 4.202 1.00 0.20 C ATOM 0 H THR A 68 1.551 -10.289 2.295 1.00 0.15 H new ATOM 0 HA THR A 68 1.188 -13.223 2.196 1.00 0.18 H new ATOM 0 HB THR A 68 3.382 -12.640 2.960 1.00 0.21 H new ATOM 0 HG1 THR A 68 2.784 -12.934 5.506 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.773 -11.025 4.794 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.986 -10.257 3.394 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.030 -10.667 4.838 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.471 -11.005 3.866 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.600 -10.780 4.760 1.00 0.19 C ATOM 1156 C ASP A 69 -2.920 -10.997 4.040 1.00 0.17 C ATOM 1157 O ASP A 69 -3.144 -10.463 2.953 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.554 -9.366 5.329 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.560 -9.175 6.439 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -2.222 -9.443 7.601 1.00 0.58 O ATOM 1161 OD2 ASP A 69 -3.699 -8.761 6.152 1.00 0.28 O ATOM 0 H ASP A 69 -0.122 -10.163 3.408 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.527 -11.500 5.576 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.553 -9.158 5.706 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.750 -8.647 4.533 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.794 -11.778 4.657 1.00 0.19 N ATOM 1167 CA ALA A 70 -5.093 -12.092 4.076 1.00 0.21 C ATOM 1168 C ALA A 70 -6.039 -10.903 4.146 1.00 0.18 C ATOM 1169 O ALA A 70 -6.887 -10.727 3.277 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.707 -13.290 4.776 1.00 0.27 C ATOM 0 H ALA A 70 -3.626 -12.209 5.566 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.936 -12.333 3.025 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.677 -13.513 4.332 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -5.050 -14.153 4.665 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.836 -13.066 5.835 1.00 0.27 H new ATOM 1176 N THR A 71 -5.881 -10.080 5.167 1.00 0.17 N ATOM 1177 CA THR A 71 -6.762 -8.939 5.365 1.00 0.17 C ATOM 1178 C THR A 71 -6.451 -7.836 4.361 1.00 0.14 C ATOM 1179 O THR A 71 -7.341 -7.327 3.690 1.00 0.15 O ATOM 1180 CB THR A 71 -6.639 -8.385 6.791 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.964 -9.413 7.740 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.553 -7.187 6.990 1.00 0.21 C ATOM 0 H THR A 71 -5.151 -10.179 5.873 1.00 0.17 H new ATOM 0 HA THR A 71 -7.784 -9.285 5.211 1.00 0.17 H new ATOM 0 HB THR A 71 -5.611 -8.058 6.947 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.883 -9.056 8.649 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.447 -6.814 8.008 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.281 -6.401 6.285 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.587 -7.486 6.819 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.184 -7.478 4.246 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.767 -6.482 3.289 1.00 0.13 C ATOM 1192 C LYS A 72 -5.067 -6.969 1.881 1.00 0.12 C ATOM 1193 O LYS A 72 -5.513 -6.205 1.042 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.278 -6.155 3.455 1.00 0.15 C ATOM 1195 CG LYS A 72 -2.965 -5.226 4.629 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.434 -5.798 5.957 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.135 -4.875 7.129 1.00 0.24 C ATOM 1198 NZ LYS A 72 -1.683 -4.808 7.443 1.00 0.71 N ATOM 0 H LYS A 72 -4.427 -7.867 4.808 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.325 -5.563 3.468 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.726 -7.086 3.586 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -2.914 -5.695 2.536 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -1.891 -5.047 4.672 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.442 -4.260 4.463 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.507 -5.984 5.910 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.951 -6.761 6.125 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -3.501 -3.874 6.902 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.678 -5.221 8.008 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -1.550 -4.815 8.474 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -1.199 -5.629 7.026 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -1.283 -3.933 7.048 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.863 -8.257 1.631 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.189 -8.821 0.329 1.00 0.15 C ATOM 1214 C ARG A 73 -6.699 -8.804 0.118 1.00 0.16 C ATOM 1215 O ARG A 73 -7.188 -8.755 -1.012 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.675 -10.246 0.221 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.504 -10.718 -1.210 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.222 -10.190 -1.843 1.00 0.47 C ATOM 1219 NE ARG A 73 -3.224 -10.404 -3.289 1.00 0.49 N ATOM 1220 CZ ARG A 73 -2.129 -10.451 -4.045 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -0.928 -10.340 -3.495 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -2.238 -10.630 -5.353 1.00 0.97 N ATOM 0 H ARG A 73 -4.479 -8.922 2.303 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.709 -8.215 -0.439 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.717 -10.319 0.737 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.366 -10.914 0.736 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -4.496 -11.808 -1.232 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.360 -10.393 -1.802 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -3.118 -9.126 -1.630 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.361 -10.689 -1.399 1.00 0.47 H new ATOM 0 HE ARG A 73 -4.126 -10.526 -3.750 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -0.838 -10.218 -2.486 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.094 -10.377 -4.080 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -3.159 -10.731 -5.779 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -1.401 -10.666 -5.934 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.426 -8.853 1.223 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.873 -8.753 1.204 1.00 0.18 C ATOM 1238 C ASN A 74 -9.295 -7.360 0.776 1.00 0.17 C ATOM 1239 O ASN A 74 -10.275 -7.194 0.049 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.435 -9.090 2.586 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.295 -10.335 2.596 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.983 -10.644 1.624 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.265 -11.058 3.705 1.00 0.43 N ATOM 0 H ASN A 74 -7.028 -8.963 2.156 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.272 -9.467 0.484 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.608 -9.222 3.284 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.025 -8.247 2.946 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.826 -11.907 3.776 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.681 -10.766 4.488 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.541 -6.360 1.211 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.770 -4.996 0.767 1.00 0.13 C ATOM 1252 C ILE A 75 -8.245 -4.821 -0.652 1.00 0.14 C ATOM 1253 O ILE A 75 -8.859 -4.144 -1.455 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.126 -3.941 1.712 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -8.992 -3.731 2.962 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -7.919 -2.600 0.988 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.076 -4.933 3.877 1.00 0.20 C ATOM 0 H ILE A 75 -7.769 -6.469 1.868 1.00 0.13 H new ATOM 0 HA ILE A 75 -9.846 -4.824 0.789 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.152 -4.323 2.017 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.594 -2.888 3.527 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.000 -3.458 2.649 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.468 -1.882 1.673 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.261 -2.747 0.131 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -8.881 -2.219 0.646 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.707 -4.695 4.733 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.504 -5.775 3.333 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.077 -5.196 4.225 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.124 -5.473 -0.946 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.490 -5.429 -2.269 1.00 0.18 C ATOM 1271 C TYR A 76 -7.499 -5.607 -3.405 1.00 0.19 C ATOM 1272 O TYR A 76 -7.469 -4.875 -4.395 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.408 -6.516 -2.346 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.047 -6.965 -3.749 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.109 -6.278 -4.505 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.645 -8.088 -4.311 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -3.780 -6.694 -5.781 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.320 -8.508 -5.584 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.388 -7.808 -6.315 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.061 -8.224 -7.585 1.00 0.52 O ATOM 0 H TYR A 76 -6.623 -6.052 -0.272 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.043 -4.443 -2.394 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.507 -6.146 -1.857 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.745 -7.384 -1.779 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -3.628 -5.404 -4.090 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.377 -8.641 -3.741 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.048 -6.147 -6.357 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.795 -9.382 -6.005 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.579 -9.025 -7.810 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.392 -6.576 -3.259 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.354 -6.884 -4.315 1.00 0.22 C ATOM 1292 C ASP A 77 -10.520 -5.887 -4.327 1.00 0.22 C ATOM 1293 O ASP A 77 -11.354 -5.894 -5.236 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.874 -8.312 -4.145 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.711 -8.771 -5.321 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.168 -8.872 -6.442 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -11.924 -9.009 -5.138 1.00 1.74 O ATOM 0 H ASP A 77 -8.473 -7.160 -2.427 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.842 -6.799 -5.273 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.030 -8.990 -4.018 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.470 -8.372 -3.234 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.567 -5.021 -3.327 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.625 -4.023 -3.222 1.00 0.21 C ATOM 1304 C LYS A 78 -11.050 -2.634 -3.481 1.00 0.20 C ATOM 1305 O LYS A 78 -11.434 -1.945 -4.427 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.250 -4.064 -1.824 1.00 0.22 C ATOM 1307 CG LYS A 78 -12.742 -5.439 -1.402 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.207 -5.432 0.046 1.00 0.33 C ATOM 1309 CE LYS A 78 -13.665 -6.807 0.497 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.222 -6.779 1.876 1.00 1.92 N ATOM 0 H LYS A 78 -9.882 -4.988 -2.572 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.393 -4.243 -3.964 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.515 -3.715 -1.099 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.086 -3.365 -1.791 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.562 -5.750 -2.049 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -11.943 -6.169 -1.527 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -12.394 -5.091 0.687 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -14.024 -4.720 0.162 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.421 -7.183 -0.193 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -12.825 -7.501 0.458 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -14.524 -7.736 2.148 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -13.493 -6.445 2.538 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -15.039 -6.136 1.907 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.111 -2.249 -2.633 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.423 -0.979 -2.744 1.00 0.19 C ATOM 1326 C TYR A 79 -7.971 -1.226 -3.137 1.00 0.21 C ATOM 1327 O TYR A 79 -7.298 -2.053 -2.526 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.447 -0.227 -1.412 1.00 0.23 C ATOM 1329 CG TYR A 79 -10.784 -0.213 -0.697 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.827 0.570 -1.175 1.00 0.60 C ATOM 1331 CD2 TYR A 79 -11.015 -0.996 0.428 1.00 0.50 C ATOM 1332 CE1 TYR A 79 -13.060 0.580 -0.553 1.00 0.75 C ATOM 1333 CE2 TYR A 79 -12.249 -0.995 1.054 1.00 0.65 C ATOM 1334 CZ TYR A 79 -13.208 -0.171 0.668 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.500 -0.201 1.174 1.00 0.88 O ATOM 0 H TYR A 79 -9.804 -2.816 -1.842 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.929 -0.379 -3.500 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -8.705 -0.672 -0.750 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -9.139 0.803 -1.590 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.671 1.183 -2.050 1.00 0.60 H new ATOM 0 HD2 TYR A 79 -10.220 -1.614 0.819 1.00 0.50 H new ATOM 0 HE1 TYR A 79 -13.888 1.134 -0.969 1.00 0.75 H new ATOM 0 HE2 TYR A 79 -12.432 -1.678 1.871 1.00 0.65 H new ATOM 0 HH TYR A 79 -14.516 -0.729 1.999 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.492 -0.528 -4.156 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.093 -0.621 -4.513 1.00 0.25 C ATOM 1347 C GLY A 80 -5.191 0.083 -3.517 1.00 0.20 C ATOM 1348 O GLY A 80 -5.417 0.029 -2.306 1.00 0.22 O ATOM 0 H GLY A 80 -8.045 0.099 -4.740 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.807 -1.671 -4.578 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.944 -0.188 -5.502 1.00 0.25 H new ATOM 1352 N SER A 81 -4.189 0.771 -4.042 1.00 0.23 N ATOM 1353 CA SER A 81 -3.179 1.441 -3.232 1.00 0.25 C ATOM 1354 C SER A 81 -3.782 2.323 -2.132 1.00 0.23 C ATOM 1355 O SER A 81 -3.250 2.383 -1.043 1.00 0.25 O ATOM 1356 CB SER A 81 -2.284 2.278 -4.151 1.00 0.34 C ATOM 1357 OG SER A 81 -1.644 1.458 -5.116 1.00 0.41 O ATOM 0 H SER A 81 -4.051 0.882 -5.047 1.00 0.23 H new ATOM 0 HA SER A 81 -2.597 0.673 -2.723 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.881 3.039 -4.653 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.534 2.801 -3.558 1.00 0.34 H new ATOM 0 HG SER A 81 -1.706 1.881 -5.998 1.00 0.41 H new ATOM 1363 N LEU A 82 -4.880 3.014 -2.407 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.470 3.900 -1.396 1.00 0.25 C ATOM 1365 C LEU A 82 -5.949 3.111 -0.196 1.00 0.22 C ATOM 1366 O LEU A 82 -5.447 3.299 0.907 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.637 4.713 -1.959 1.00 0.29 C ATOM 1368 CG LEU A 82 -6.861 6.090 -1.303 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -8.173 6.681 -1.760 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -6.832 6.026 0.214 1.00 0.69 C ATOM 0 H LEU A 82 -5.375 2.985 -3.298 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.683 4.589 -1.089 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.473 4.860 -3.027 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.550 4.127 -1.854 1.00 0.29 H new ATOM 0 HG LEU A 82 -6.036 6.727 -1.620 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -8.318 7.653 -1.289 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -8.160 6.801 -2.843 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -8.989 6.016 -1.478 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -6.995 7.023 0.623 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -7.617 5.357 0.565 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -5.863 5.652 0.544 1.00 0.69 H new ATOM 1382 N GLY A 83 -6.926 2.238 -0.414 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.491 1.492 0.680 1.00 0.23 C ATOM 1384 C GLY A 83 -6.435 0.757 1.456 1.00 0.21 C ATOM 1385 O GLY A 83 -6.484 0.717 2.672 1.00 0.23 O ATOM 0 H GLY A 83 -7.332 2.038 -1.328 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.025 2.170 1.345 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.222 0.780 0.296 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.458 0.217 0.751 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.355 -0.479 1.387 1.00 0.20 C ATOM 1391 C LEU A 84 -3.431 0.489 2.117 1.00 0.21 C ATOM 1392 O LEU A 84 -3.022 0.227 3.237 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.581 -1.262 0.345 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.338 -2.429 -0.266 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.509 -3.083 -1.354 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.694 -3.425 0.818 1.00 0.30 C ATOM 0 H LEU A 84 -5.406 0.247 -0.267 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.764 -1.165 2.129 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.283 -0.582 -0.453 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.665 -1.639 0.800 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.259 -2.064 -0.721 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.064 -3.917 -1.783 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.291 -2.353 -2.134 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.575 -3.449 -0.929 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.237 -4.262 0.379 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.782 -3.791 1.289 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.320 -2.939 1.567 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.116 1.610 1.484 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.299 2.654 2.099 1.00 0.23 C ATOM 1410 C TYR A 85 -2.787 2.977 3.507 1.00 0.24 C ATOM 1411 O TYR A 85 -1.992 3.153 4.429 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.326 3.903 1.196 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.401 5.234 1.909 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -3.624 5.798 2.243 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.240 5.914 2.270 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -3.692 7.003 2.914 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -1.302 7.120 2.937 1.00 0.45 C ATOM 1418 CZ TYR A 85 -2.548 7.700 3.180 1.00 0.44 C ATOM 1419 OH TYR A 85 -2.597 8.860 3.927 1.00 0.52 O ATOM 0 H TYR A 85 -3.417 1.824 0.533 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.272 2.302 2.194 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.431 3.896 0.574 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.181 3.824 0.525 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -4.537 5.287 1.974 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.277 5.491 2.024 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -4.649 7.394 3.228 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -0.398 7.609 3.267 1.00 0.45 H new ATOM 0 HH TYR A 85 -1.693 9.227 4.021 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.094 3.049 3.664 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.682 3.335 4.958 1.00 0.25 C ATOM 1431 C VAL A 86 -4.985 2.050 5.757 1.00 0.24 C ATOM 1432 O VAL A 86 -4.801 2.012 6.976 1.00 0.27 O ATOM 1433 CB VAL A 86 -5.945 4.226 4.801 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.772 3.817 3.590 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.801 4.202 6.054 1.00 0.32 C ATOM 0 H VAL A 86 -4.769 2.913 2.912 1.00 0.23 H new ATOM 0 HA VAL A 86 -3.946 3.892 5.538 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.595 5.246 4.645 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.647 4.462 3.512 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.168 3.914 2.688 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.093 2.782 3.702 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.676 4.836 5.909 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.123 3.180 6.255 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.220 4.573 6.899 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.406 0.988 5.077 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.798 -0.250 5.758 1.00 0.24 C ATOM 1447 C ALA A 87 -4.598 -1.076 6.189 1.00 0.22 C ATOM 1448 O ALA A 87 -4.607 -1.691 7.251 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.698 -1.098 4.875 1.00 0.25 C ATOM 0 H ALA A 87 -5.486 0.955 4.061 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.344 0.052 6.652 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -6.973 -2.010 5.405 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.599 -0.536 4.627 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.169 -1.357 3.958 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.568 -1.099 5.370 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.406 -1.907 5.656 1.00 0.21 C ATOM 1457 C GLU A 88 -1.594 -1.249 6.767 1.00 0.20 C ATOM 1458 O GLU A 88 -1.009 -1.924 7.611 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.591 -2.126 4.361 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.316 -1.304 4.233 1.00 0.25 C ATOM 1461 CD GLU A 88 0.870 -1.987 4.889 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.335 -3.006 4.348 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.314 -1.536 5.965 1.00 1.24 O ATOM 0 H GLU A 88 -3.513 -0.567 4.501 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.702 -2.893 6.013 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.328 -3.182 4.294 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.232 -1.902 3.508 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.099 -1.134 3.178 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.468 -0.326 4.689 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.621 0.074 6.790 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.849 0.836 7.755 1.00 0.24 C ATOM 1472 C GLN A 89 -1.615 1.043 9.066 1.00 0.29 C ATOM 1473 O GLN A 89 -1.021 0.992 10.147 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.452 2.179 7.147 1.00 0.25 C ATOM 1475 CG GLN A 89 0.549 2.054 6.008 1.00 0.27 C ATOM 1476 CD GLN A 89 1.949 1.700 6.489 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.342 2.062 7.600 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.713 0.991 5.663 1.00 0.38 N ATOM 0 H GLN A 89 -2.172 0.643 6.148 1.00 0.22 H new ATOM 0 HA GLN A 89 0.048 0.266 7.996 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.347 2.682 6.781 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.027 2.811 7.927 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.205 1.290 5.311 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.586 2.994 5.458 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.353 0.709 4.751 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.659 0.729 5.941 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.925 1.265 8.984 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.721 1.519 10.188 1.00 0.34 C ATOM 1489 C PHE A 90 -4.834 0.495 10.371 1.00 0.37 C ATOM 1490 O PHE A 90 -5.086 0.042 11.486 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.340 2.915 10.149 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.338 4.033 10.190 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.835 4.485 11.399 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.900 4.631 9.020 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.913 5.514 11.441 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.978 5.659 9.055 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.485 6.101 10.264 1.00 0.62 C ATOM 0 H PHE A 90 -3.454 1.275 8.112 1.00 0.29 H new ATOM 0 HA PHE A 90 -3.034 1.440 11.031 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.937 3.010 9.242 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -5.022 3.022 10.993 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -3.167 4.028 12.320 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.284 4.290 8.070 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.528 5.858 12.390 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.644 6.116 8.136 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.765 6.905 10.292 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.507 0.137 9.289 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.574 -0.835 9.386 1.00 0.41 C ATOM 1509 C GLY A 91 -7.855 -0.354 8.744 1.00 0.43 C ATOM 1510 O GLY A 91 -8.390 0.695 9.105 1.00 0.51 O ATOM 0 H GLY A 91 -5.335 0.499 8.351 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.259 -1.764 8.910 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.760 -1.062 10.436 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.354 -1.131 7.801 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.569 -0.791 7.075 1.00 0.47 C ATOM 1516 C GLU A 92 -10.745 -0.714 8.034 1.00 0.54 C ATOM 1517 O GLU A 92 -11.622 0.139 7.899 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.811 -1.837 5.981 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.922 -1.500 4.994 1.00 0.92 C ATOM 1520 CD GLU A 92 -12.271 -2.070 5.387 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -12.475 -3.293 5.226 1.00 2.23 O ATOM 1522 OE2 GLU A 92 -13.138 -1.304 5.850 1.00 2.69 O ATOM 0 H GLU A 92 -7.932 -2.014 7.515 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.459 0.186 6.605 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.884 -1.979 5.425 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -10.046 -2.789 6.457 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.005 -0.417 4.908 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -10.649 -1.878 4.009 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.715 -1.573 9.034 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.801 -1.681 9.988 1.00 0.66 C ATOM 1531 C GLU A 93 -12.004 -0.390 10.786 1.00 0.68 C ATOM 1532 O GLU A 93 -13.126 -0.072 11.172 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.544 -2.851 10.938 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.236 -2.734 11.708 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.006 -3.901 12.643 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.508 -4.946 12.179 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.327 -3.785 13.844 1.00 1.33 O ATOM 0 H GLU A 93 -9.940 -2.213 9.208 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.716 -1.859 9.423 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.369 -2.920 11.647 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.537 -3.778 10.365 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.408 -2.670 11.002 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.238 -1.808 12.282 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.931 0.353 11.038 1.00 0.61 N ATOM 1545 CA ASN A 94 -11.041 1.542 11.877 1.00 0.64 C ATOM 1546 C ASN A 94 -11.070 2.835 11.059 1.00 0.65 C ATOM 1547 O ASN A 94 -12.094 3.515 11.002 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.940 1.572 12.963 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.519 1.621 12.418 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -7.951 2.691 12.228 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.926 0.465 12.185 1.00 0.70 N ATOM 0 H ASN A 94 -9.995 0.160 10.683 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.002 1.480 12.387 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.101 2.440 13.602 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.044 0.689 13.593 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.968 0.445 11.837 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.426 -0.408 12.353 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.970 3.157 10.408 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.830 4.436 9.722 1.00 0.58 C ATOM 1560 C VAL A 95 -10.526 4.444 8.371 1.00 0.62 C ATOM 1561 O VAL A 95 -11.175 5.425 8.006 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.347 4.801 9.530 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.801 5.478 10.772 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.539 3.557 9.209 1.00 0.49 C ATOM 0 H VAL A 95 -9.153 2.550 10.337 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.310 5.180 10.358 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.266 5.497 8.695 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.751 5.729 10.618 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.367 6.389 10.968 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.892 4.804 11.624 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.492 3.828 9.075 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.628 2.844 10.029 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.917 3.104 8.292 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.405 3.349 7.637 1.00 0.57 N ATOM 1575 CA ASN A 96 -10.975 3.274 6.296 1.00 0.68 C ATOM 1576 C ASN A 96 -12.489 3.247 6.370 1.00 0.85 C ATOM 1577 O ASN A 96 -13.168 3.822 5.530 1.00 1.03 O ATOM 1578 CB ASN A 96 -10.485 2.036 5.555 1.00 0.69 C ATOM 1579 CG ASN A 96 -10.884 2.045 4.088 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -11.937 1.536 3.712 1.00 1.85 O ATOM 1581 ND2 ASN A 96 -10.042 2.629 3.249 1.00 0.66 N ATOM 0 H ASN A 96 -9.921 2.504 7.942 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.650 4.159 5.749 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -9.400 1.974 5.633 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -10.890 1.145 6.034 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -10.259 2.667 2.253 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -9.177 3.041 3.599 1.00 0.66 H new ATOM 1588 N THR A 97 -13.009 2.591 7.397 1.00 0.85 N ATOM 1589 CA THR A 97 -14.443 2.482 7.578 1.00 1.05 C ATOM 1590 C THR A 97 -15.035 3.854 7.912 1.00 1.15 C ATOM 1591 O THR A 97 -16.235 4.089 7.766 1.00 1.33 O ATOM 1592 CB THR A 97 -14.776 1.470 8.703 1.00 1.09 C ATOM 1593 OG1 THR A 97 -15.991 0.774 8.401 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.912 2.157 10.057 1.00 1.08 C ATOM 0 H THR A 97 -12.456 2.127 8.117 1.00 0.85 H new ATOM 0 HA THR A 97 -14.883 2.121 6.648 1.00 1.05 H new ATOM 0 HB THR A 97 -13.949 0.762 8.759 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.190 0.137 9.118 1.00 1.33 H new ATOM 0 HG21 THR A 97 -15.146 1.414 10.820 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.975 2.654 10.309 1.00 1.08 H new ATOM 0 HG23 THR A 97 -15.713 2.895 10.012 1.00 1.08 H new ATOM 1602 N TYR A 98 -14.160 4.757 8.336 1.00 1.07 N ATOM 1603 CA TYR A 98 -14.555 6.071 8.809 1.00 1.22 C ATOM 1604 C TYR A 98 -14.352 7.125 7.719 1.00 1.24 C ATOM 1605 O TYR A 98 -14.599 8.310 7.946 1.00 1.41 O ATOM 1606 CB TYR A 98 -13.760 6.434 10.069 1.00 1.27 C ATOM 1607 CG TYR A 98 -14.279 7.659 10.790 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -15.498 7.631 11.455 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -13.551 8.842 10.805 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -15.976 8.747 12.114 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -14.023 9.961 11.463 1.00 2.45 C ATOM 1612 CZ TYR A 98 -15.234 9.908 12.114 1.00 2.47 C ATOM 1613 OH TYR A 98 -15.707 11.020 12.774 1.00 2.92 O ATOM 0 H TYR A 98 -13.153 4.595 8.360 1.00 1.07 H new ATOM 0 HA TYR A 98 -15.616 6.048 9.058 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -13.777 5.587 10.754 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -12.718 6.600 9.794 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -16.082 6.722 11.457 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -12.601 8.888 10.294 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -16.926 8.710 12.626 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -13.444 10.873 11.466 1.00 2.45 H new ATOM 0 HH TYR A 98 -15.065 11.754 12.679 1.00 2.92 H new ATOM 1623 N PHE A 99 -13.868 6.684 6.553 1.00 1.23 N ATOM 1624 CA PHE A 99 -13.504 7.587 5.451 1.00 1.37 C ATOM 1625 C PHE A 99 -14.570 8.643 5.162 1.00 1.73 C ATOM 1626 O PHE A 99 -15.727 8.522 5.567 1.00 2.11 O ATOM 1627 CB PHE A 99 -13.218 6.803 4.166 1.00 1.72 C ATOM 1628 CG PHE A 99 -14.441 6.231 3.492 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -15.273 5.335 4.150 1.00 3.29 C ATOM 1630 CD2 PHE A 99 -14.761 6.598 2.195 1.00 3.47 C ATOM 1631 CE1 PHE A 99 -16.391 4.818 3.527 1.00 4.51 C ATOM 1632 CE2 PHE A 99 -15.878 6.084 1.567 1.00 4.65 C ATOM 1633 CZ PHE A 99 -16.695 5.193 2.234 1.00 5.17 C ATOM 0 H PHE A 99 -13.717 5.697 6.345 1.00 1.23 H new ATOM 0 HA PHE A 99 -12.603 8.103 5.782 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -12.705 7.459 3.463 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -12.533 5.988 4.399 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -15.042 5.039 5.163 1.00 3.29 H new ATOM 0 HD2 PHE A 99 -14.128 7.296 1.668 1.00 3.47 H new ATOM 0 HE1 PHE A 99 -17.028 4.120 4.051 1.00 4.51 H new ATOM 0 HE2 PHE A 99 -16.112 6.379 0.555 1.00 4.65 H new ATOM 0 HZ PHE A 99 -17.570 4.790 1.745 1.00 5.17 H new ATOM 1643 N VAL A 100 -14.147 9.655 4.422 1.00 1.96 N ATOM 1644 CA VAL A 100 -14.962 10.829 4.129 1.00 2.64 C ATOM 1645 C VAL A 100 -16.305 10.452 3.509 1.00 3.27 C ATOM 1646 O VAL A 100 -16.327 10.052 2.330 1.00 3.70 O ATOM 1647 CB VAL A 100 -14.221 11.777 3.184 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -14.872 13.151 3.170 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -12.751 11.867 3.561 1.00 3.58 C ATOM 1650 OXT VAL A 100 -17.340 10.580 4.205 1.00 3.84 O ATOM 0 H VAL A 100 -13.218 9.687 4.002 1.00 1.96 H new ATOM 0 HA VAL A 100 -15.150 11.328 5.080 1.00 2.64 H new ATOM 0 HB VAL A 100 -14.285 11.372 2.174 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -14.326 13.805 2.491 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -15.905 13.061 2.835 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -14.852 13.573 4.175 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -12.241 12.546 2.877 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -12.659 12.242 4.580 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -12.297 10.878 3.496 1.00 3.58 H new TER 1660 VAL A 100