USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 893 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 HIS : no HE2:sc= 0.769 K(o=1.7,f=-2.6) USER MOD Set 1.2: A 94 TYR OH : rot 127:sc= 0.913 USER MOD Set 2.1: A 48 TYR OH : rot -167:sc= 0.706 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 161:sc= 2.67 (180deg=0.934) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 170:sc= -0.754 (180deg=-1.11) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.15) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0597 K(o=-0.06,f=-4.7!) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00473) USER MOD Single : A 31 ASN : amide:sc= 0.431 X(o=0.43,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.19) USER MOD Single : A 39 TYR OH : rot 34:sc= 0.134 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.271 K(o=-0.27,f=-3.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.914 X(o=-0.91,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.825 K(o=-0.82,f=-4.9!) USER MOD Single : A 68 ASN : amide:sc= 0.0134 K(o=0.013,f=-1.7) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 12:sc= 0.922 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 46:sc= 0.591 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 102 LYS NZ :NH3+ 137:sc= -2.23! (180deg=-4.9!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 107 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.051) USER MOD Single : A 108 HIS : no HD1:sc= -0.0214 X(o=-0.021,f=-0.51) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.707 -21.685 -22.298 1.00 73.55 N ATOM 2 CA MET A 1 7.353 -21.083 -22.259 1.00 4.11 C ATOM 3 C MET A 1 7.440 -19.561 -22.296 1.00 33.14 C ATOM 4 O MET A 1 6.847 -18.915 -23.166 1.00 53.11 O ATOM 5 CB MET A 1 6.593 -21.531 -20.998 1.00 63.14 C ATOM 6 CG MET A 1 5.226 -20.873 -20.845 1.00 61.52 C ATOM 7 SD MET A 1 4.380 -21.353 -19.322 1.00 71.51 S ATOM 8 CE MET A 1 2.896 -20.349 -19.430 1.00 44.34 C ATOM 0 H1 MET A 1 8.627 -22.722 -22.272 1.00 73.55 H new ATOM 0 H2 MET A 1 9.190 -21.397 -23.173 1.00 73.55 H new ATOM 0 H3 MET A 1 9.255 -21.359 -21.477 1.00 73.55 H new ATOM 0 HA MET A 1 6.808 -21.427 -23.138 1.00 4.11 H new ATOM 0 HB2 MET A 1 6.465 -22.613 -21.026 1.00 63.14 H new ATOM 0 HB3 MET A 1 7.197 -21.304 -20.120 1.00 63.14 H new ATOM 0 HG2 MET A 1 5.346 -19.790 -20.862 1.00 61.52 H new ATOM 0 HG3 MET A 1 4.603 -21.138 -21.699 1.00 61.52 H new ATOM 0 HE1 MET A 1 2.268 -20.533 -18.558 1.00 44.34 H new ATOM 0 HE2 MET A 1 3.171 -19.295 -19.463 1.00 44.34 H new ATOM 0 HE3 MET A 1 2.346 -20.608 -20.335 1.00 44.34 H new ATOM 20 N ILE A 2 8.169 -18.984 -21.342 1.00 61.43 N ATOM 21 CA ILE A 2 8.318 -17.536 -21.264 1.00 65.15 C ATOM 22 C ILE A 2 9.658 -17.094 -21.855 1.00 61.52 C ATOM 23 O ILE A 2 10.711 -17.653 -21.534 1.00 54.51 O ATOM 24 CB ILE A 2 8.192 -17.020 -19.805 1.00 13.01 C ATOM 25 CG1 ILE A 2 9.248 -17.675 -18.892 1.00 12.52 C ATOM 26 CG2 ILE A 2 6.783 -17.279 -19.270 1.00 73.20 C ATOM 27 CD1 ILE A 2 9.216 -17.188 -17.457 1.00 72.21 C ATOM 0 H ILE A 2 8.664 -19.499 -20.614 1.00 61.43 H new ATOM 0 HA ILE A 2 7.508 -17.101 -21.849 1.00 65.15 H new ATOM 0 HB ILE A 2 8.372 -15.945 -19.808 1.00 13.01 H new ATOM 0 HG12 ILE A 2 9.100 -18.755 -18.901 1.00 12.52 H new ATOM 0 HG13 ILE A 2 10.238 -17.485 -19.306 1.00 12.52 H new ATOM 0 HG21 ILE A 2 6.709 -16.912 -18.246 1.00 73.20 H new ATOM 0 HG22 ILE A 2 6.056 -16.760 -19.895 1.00 73.20 H new ATOM 0 HG23 ILE A 2 6.578 -18.349 -19.287 1.00 73.20 H new ATOM 0 HD11 ILE A 2 9.989 -17.698 -16.882 1.00 72.21 H new ATOM 0 HD12 ILE A 2 9.396 -16.113 -17.433 1.00 72.21 H new ATOM 0 HD13 ILE A 2 8.240 -17.402 -17.022 1.00 72.21 H new ATOM 39 N GLY A 3 9.599 -16.110 -22.738 1.00 12.24 N ATOM 40 CA GLY A 3 10.793 -15.533 -23.327 1.00 13.45 C ATOM 41 C GLY A 3 10.692 -14.027 -23.362 1.00 73.30 C ATOM 42 O GLY A 3 10.864 -13.403 -24.409 1.00 13.11 O ATOM 0 H GLY A 3 8.727 -15.692 -23.064 1.00 12.24 H new ATOM 0 HA2 GLY A 3 11.670 -15.831 -22.752 1.00 13.45 H new ATOM 0 HA3 GLY A 3 10.929 -15.918 -24.338 1.00 13.45 H new ATOM 46 N MET A 4 10.378 -13.450 -22.208 1.00 15.34 N ATOM 47 CA MET A 4 10.183 -12.009 -22.085 1.00 41.21 C ATOM 48 C MET A 4 11.083 -11.456 -20.983 1.00 42.41 C ATOM 49 O MET A 4 10.829 -11.669 -19.795 1.00 42.25 O ATOM 50 CB MET A 4 8.708 -11.699 -21.779 1.00 32.21 C ATOM 51 CG MET A 4 8.384 -10.211 -21.697 1.00 32.45 C ATOM 52 SD MET A 4 6.636 -9.902 -21.363 1.00 50.01 S ATOM 53 CE MET A 4 6.587 -8.111 -21.418 1.00 52.45 C ATOM 0 H MET A 4 10.252 -13.963 -21.336 1.00 15.34 H new ATOM 0 HA MET A 4 10.449 -11.531 -23.028 1.00 41.21 H new ATOM 0 HB2 MET A 4 8.086 -12.153 -22.551 1.00 32.21 H new ATOM 0 HB3 MET A 4 8.438 -12.170 -20.834 1.00 32.21 H new ATOM 0 HG2 MET A 4 8.987 -9.754 -20.913 1.00 32.45 H new ATOM 0 HG3 MET A 4 8.662 -9.730 -22.634 1.00 32.45 H new ATOM 0 HE1 MET A 4 5.550 -7.775 -21.407 1.00 52.45 H new ATOM 0 HE2 MET A 4 7.109 -7.706 -20.551 1.00 52.45 H new ATOM 0 HE3 MET A 4 7.072 -7.762 -22.329 1.00 52.45 H new ATOM 63 N SER A 5 12.149 -10.774 -21.387 1.00 54.14 N ATOM 64 CA SER A 5 13.079 -10.157 -20.443 1.00 73.33 C ATOM 65 C SER A 5 12.635 -8.738 -20.110 1.00 12.03 C ATOM 66 O SER A 5 13.257 -8.054 -19.293 1.00 34.33 O ATOM 67 CB SER A 5 14.495 -10.151 -21.030 1.00 31.24 C ATOM 68 OG SER A 5 14.913 -11.467 -21.348 1.00 54.43 O ATOM 0 H SER A 5 12.393 -10.633 -22.367 1.00 54.14 H new ATOM 0 HA SER A 5 13.083 -10.740 -19.522 1.00 73.33 H new ATOM 0 HB2 SER A 5 14.520 -9.530 -21.926 1.00 31.24 H new ATOM 0 HB3 SER A 5 15.188 -9.707 -20.315 1.00 31.24 H new ATOM 0 HG SER A 5 15.818 -11.441 -21.723 1.00 54.43 H new ATOM 74 N GLU A 6 11.556 -8.306 -20.757 1.00 11.00 N ATOM 75 CA GLU A 6 11.010 -6.972 -20.561 1.00 11.25 C ATOM 76 C GLU A 6 10.430 -6.830 -19.153 1.00 52.43 C ATOM 77 O GLU A 6 9.257 -7.129 -18.913 1.00 23.42 O ATOM 78 CB GLU A 6 9.939 -6.685 -21.619 1.00 22.11 C ATOM 79 CG GLU A 6 10.424 -6.903 -23.047 1.00 53.54 C ATOM 80 CD GLU A 6 9.326 -6.719 -24.082 1.00 2.53 C ATOM 81 OE1 GLU A 6 8.586 -7.686 -24.354 1.00 1.04 O ATOM 82 OE2 GLU A 6 9.205 -5.604 -24.634 1.00 4.15 O ATOM 0 H GLU A 6 11.039 -8.872 -21.430 1.00 11.00 H new ATOM 0 HA GLU A 6 11.814 -6.244 -20.670 1.00 11.25 H new ATOM 0 HB2 GLU A 6 9.076 -7.325 -21.435 1.00 22.11 H new ATOM 0 HB3 GLU A 6 9.600 -5.655 -21.512 1.00 22.11 H new ATOM 0 HG2 GLU A 6 11.236 -6.207 -23.259 1.00 53.54 H new ATOM 0 HG3 GLU A 6 10.835 -7.909 -23.136 1.00 53.54 H new ATOM 89 N LYS A 7 11.277 -6.416 -18.224 1.00 52.11 N ATOM 90 CA LYS A 7 10.877 -6.189 -16.842 1.00 73.24 C ATOM 91 C LYS A 7 10.548 -4.715 -16.641 1.00 72.13 C ATOM 92 O LYS A 7 11.099 -3.860 -17.329 1.00 32.24 O ATOM 93 CB LYS A 7 12.009 -6.611 -15.890 1.00 55.43 C ATOM 94 CG LYS A 7 12.354 -8.097 -15.957 1.00 64.45 C ATOM 95 CD LYS A 7 11.260 -8.968 -15.341 1.00 53.05 C ATOM 96 CE LYS A 7 11.185 -8.803 -13.823 1.00 23.04 C ATOM 97 NZ LYS A 7 10.130 -9.658 -13.215 1.00 34.44 N ATOM 0 H LYS A 7 12.263 -6.227 -18.406 1.00 52.11 H new ATOM 0 HA LYS A 7 9.993 -6.787 -16.622 1.00 73.24 H new ATOM 0 HB2 LYS A 7 12.901 -6.030 -16.123 1.00 55.43 H new ATOM 0 HB3 LYS A 7 11.723 -6.360 -14.868 1.00 55.43 H new ATOM 0 HG2 LYS A 7 12.506 -8.387 -16.997 1.00 64.45 H new ATOM 0 HG3 LYS A 7 13.295 -8.274 -15.436 1.00 64.45 H new ATOM 0 HD2 LYS A 7 10.298 -8.708 -15.782 1.00 53.05 H new ATOM 0 HD3 LYS A 7 11.449 -10.014 -15.583 1.00 53.05 H new ATOM 0 HE2 LYS A 7 12.151 -9.054 -13.384 1.00 23.04 H new ATOM 0 HE3 LYS A 7 10.987 -7.759 -13.582 1.00 23.04 H new ATOM 0 HZ1 LYS A 7 10.116 -9.513 -12.185 1.00 34.44 H new ATOM 0 HZ2 LYS A 7 9.204 -9.402 -13.613 1.00 34.44 H new ATOM 0 HZ3 LYS A 7 10.332 -10.657 -13.421 1.00 34.44 H new ATOM 111 N ARG A 8 9.647 -4.422 -15.714 1.00 54.10 N ATOM 112 CA ARG A 8 9.295 -3.046 -15.394 1.00 21.44 C ATOM 113 C ARG A 8 9.321 -2.852 -13.883 1.00 50.44 C ATOM 114 O ARG A 8 8.746 -3.651 -13.137 1.00 51.31 O ATOM 115 CB ARG A 8 7.909 -2.694 -15.961 1.00 53.13 C ATOM 116 CG ARG A 8 7.462 -1.253 -15.700 1.00 60.22 C ATOM 117 CD ARG A 8 8.196 -0.234 -16.580 1.00 40.43 C ATOM 118 NE ARG A 8 9.654 -0.223 -16.367 1.00 32.51 N ATOM 119 CZ ARG A 8 10.345 0.833 -15.924 1.00 12.42 C ATOM 120 NH1 ARG A 8 9.726 1.965 -15.622 1.00 61.21 N ATOM 121 NH2 ARG A 8 11.664 0.753 -15.788 1.00 31.20 N ATOM 0 H ARG A 8 9.145 -5.122 -15.168 1.00 54.10 H new ATOM 0 HA ARG A 8 10.024 -2.377 -15.852 1.00 21.44 H new ATOM 0 HB2 ARG A 8 7.916 -2.870 -17.037 1.00 53.13 H new ATOM 0 HB3 ARG A 8 7.172 -3.373 -15.532 1.00 53.13 H new ATOM 0 HG2 ARG A 8 6.389 -1.173 -15.877 1.00 60.22 H new ATOM 0 HG3 ARG A 8 7.632 -1.009 -14.651 1.00 60.22 H new ATOM 0 HD2 ARG A 8 7.991 -0.454 -17.628 1.00 40.43 H new ATOM 0 HD3 ARG A 8 7.799 0.761 -16.380 1.00 40.43 H new ATOM 0 HE ARG A 8 10.171 -1.078 -16.571 1.00 32.51 H new ATOM 0 HH11 ARG A 8 8.714 2.036 -15.727 1.00 61.21 H new ATOM 0 HH12 ARG A 8 10.262 2.765 -15.285 1.00 61.21 H new ATOM 0 HH21 ARG A 8 12.149 -0.113 -16.021 1.00 31.20 H new ATOM 0 HH22 ARG A 8 12.192 1.558 -15.450 1.00 31.20 H new ATOM 135 N GLY A 9 10.009 -1.810 -13.444 1.00 42.41 N ATOM 136 CA GLY A 9 10.106 -1.512 -12.033 1.00 43.21 C ATOM 137 C GLY A 9 10.634 -0.114 -11.815 1.00 52.11 C ATOM 138 O GLY A 9 11.806 0.070 -11.484 1.00 65.40 O ATOM 0 H GLY A 9 10.508 -1.158 -14.050 1.00 42.41 H new ATOM 0 HA2 GLY A 9 9.126 -1.612 -11.567 1.00 43.21 H new ATOM 0 HA3 GLY A 9 10.764 -2.234 -11.549 1.00 43.21 H new ATOM 142 N GLU A 10 9.780 0.873 -12.053 1.00 50.51 N ATOM 143 CA GLU A 10 10.149 2.272 -11.882 1.00 63.33 C ATOM 144 C GLU A 10 10.472 2.542 -10.416 1.00 33.34 C ATOM 145 O GLU A 10 11.479 3.179 -10.092 1.00 54.51 O ATOM 146 CB GLU A 10 9.005 3.172 -12.373 1.00 4.34 C ATOM 147 CG GLU A 10 9.306 4.665 -12.283 1.00 62.43 C ATOM 148 CD GLU A 10 8.297 5.513 -13.043 1.00 13.33 C ATOM 149 OE1 GLU A 10 8.504 5.751 -14.255 1.00 63.53 O ATOM 150 OE2 GLU A 10 7.294 5.950 -12.441 1.00 43.22 O ATOM 0 H GLU A 10 8.820 0.729 -12.367 1.00 50.51 H new ATOM 0 HA GLU A 10 11.037 2.495 -12.474 1.00 63.33 H new ATOM 0 HB2 GLU A 10 8.777 2.920 -13.409 1.00 4.34 H new ATOM 0 HB3 GLU A 10 8.111 2.956 -11.788 1.00 4.34 H new ATOM 0 HG2 GLU A 10 9.314 4.968 -11.236 1.00 62.43 H new ATOM 0 HG3 GLU A 10 10.304 4.855 -12.677 1.00 62.43 H new ATOM 157 N ILE A 11 9.615 2.032 -9.535 1.00 23.32 N ATOM 158 CA ILE A 11 9.841 2.101 -8.096 1.00 10.31 C ATOM 159 C ILE A 11 9.495 0.753 -7.469 1.00 40.14 C ATOM 160 O ILE A 11 8.386 0.537 -6.969 1.00 51.23 O ATOM 161 CB ILE A 11 9.019 3.233 -7.416 1.00 21.14 C ATOM 162 CG1 ILE A 11 9.321 4.591 -8.073 1.00 21.04 C ATOM 163 CG2 ILE A 11 9.320 3.289 -5.916 1.00 33.41 C ATOM 164 CD1 ILE A 11 8.531 5.748 -7.494 1.00 54.14 C ATOM 0 H ILE A 11 8.749 1.562 -9.798 1.00 23.32 H new ATOM 0 HA ILE A 11 10.893 2.335 -7.935 1.00 10.31 H new ATOM 0 HB ILE A 11 7.960 3.013 -7.549 1.00 21.14 H new ATOM 0 HG12 ILE A 11 10.385 4.804 -7.970 1.00 21.04 H new ATOM 0 HG13 ILE A 11 9.112 4.521 -9.140 1.00 21.04 H new ATOM 0 HG21 ILE A 11 8.736 4.087 -5.457 1.00 33.41 H new ATOM 0 HG22 ILE A 11 9.057 2.336 -5.456 1.00 33.41 H new ATOM 0 HG23 ILE A 11 10.382 3.484 -5.765 1.00 33.41 H new ATOM 0 HD11 ILE A 11 8.802 6.668 -8.011 1.00 54.14 H new ATOM 0 HD12 ILE A 11 7.465 5.560 -7.621 1.00 54.14 H new ATOM 0 HD13 ILE A 11 8.758 5.848 -6.433 1.00 54.14 H new ATOM 176 N MET A 12 10.449 -0.164 -7.554 1.00 1.55 N ATOM 177 CA MET A 12 10.297 -1.517 -7.024 1.00 64.14 C ATOM 178 C MET A 12 10.616 -1.534 -5.531 1.00 1.43 C ATOM 179 O MET A 12 11.704 -1.130 -5.110 1.00 45.01 O ATOM 180 CB MET A 12 11.213 -2.502 -7.779 1.00 25.12 C ATOM 181 CG MET A 12 12.687 -2.102 -7.782 1.00 44.41 C ATOM 182 SD MET A 12 12.976 -0.554 -8.670 1.00 12.23 S ATOM 183 CE MET A 12 14.668 -0.191 -8.216 1.00 15.15 C ATOM 0 H MET A 12 11.354 0.007 -7.993 1.00 1.55 H new ATOM 0 HA MET A 12 9.263 -1.832 -7.167 1.00 64.14 H new ATOM 0 HB2 MET A 12 11.116 -3.490 -7.329 1.00 25.12 H new ATOM 0 HB3 MET A 12 10.868 -2.586 -8.809 1.00 25.12 H new ATOM 0 HG2 MET A 12 13.035 -1.999 -6.754 1.00 44.41 H new ATOM 0 HG3 MET A 12 13.276 -2.897 -8.240 1.00 44.41 H new ATOM 0 HE1 MET A 12 14.981 0.738 -8.692 1.00 15.15 H new ATOM 0 HE2 MET A 12 14.740 -0.086 -7.133 1.00 15.15 H new ATOM 0 HE3 MET A 12 15.315 -1.004 -8.546 1.00 15.15 H new ATOM 193 N ILE A 13 9.664 -1.996 -4.733 1.00 51.04 N ATOM 194 CA ILE A 13 9.816 -2.015 -3.283 1.00 4.32 C ATOM 195 C ILE A 13 10.066 -3.438 -2.791 1.00 12.20 C ATOM 196 O ILE A 13 9.140 -4.238 -2.664 1.00 12.41 O ATOM 197 CB ILE A 13 8.561 -1.436 -2.579 1.00 45.23 C ATOM 198 CG1 ILE A 13 8.198 -0.067 -3.180 1.00 13.41 C ATOM 199 CG2 ILE A 13 8.786 -1.315 -1.069 1.00 65.53 C ATOM 200 CD1 ILE A 13 9.300 0.966 -3.059 1.00 60.52 C ATOM 0 H ILE A 13 8.773 -2.365 -5.066 1.00 51.04 H new ATOM 0 HA ILE A 13 10.674 -1.390 -3.033 1.00 4.32 H new ATOM 0 HB ILE A 13 7.730 -2.123 -2.742 1.00 45.23 H new ATOM 0 HG12 ILE A 13 7.949 -0.198 -4.233 1.00 13.41 H new ATOM 0 HG13 ILE A 13 7.303 0.311 -2.686 1.00 13.41 H new ATOM 0 HG21 ILE A 13 7.891 -0.907 -0.599 1.00 65.53 H new ATOM 0 HG22 ILE A 13 8.997 -2.300 -0.653 1.00 65.53 H new ATOM 0 HG23 ILE A 13 9.630 -0.652 -0.879 1.00 65.53 H new ATOM 0 HD11 ILE A 13 8.970 1.904 -3.505 1.00 60.52 H new ATOM 0 HD12 ILE A 13 9.534 1.127 -2.007 1.00 60.52 H new ATOM 0 HD13 ILE A 13 10.190 0.611 -3.578 1.00 60.52 H new ATOM 212 N LEU A 14 11.331 -3.750 -2.553 1.00 71.44 N ATOM 213 CA LEU A 14 11.730 -5.046 -2.017 1.00 41.34 C ATOM 214 C LEU A 14 11.997 -4.913 -0.522 1.00 2.11 C ATOM 215 O LEU A 14 12.954 -4.254 -0.109 1.00 30.20 O ATOM 216 CB LEU A 14 12.980 -5.578 -2.743 1.00 0.11 C ATOM 217 CG LEU A 14 12.742 -6.189 -4.143 1.00 41.11 C ATOM 218 CD1 LEU A 14 12.056 -5.200 -5.083 1.00 14.20 C ATOM 219 CD2 LEU A 14 14.062 -6.674 -4.746 1.00 33.11 C ATOM 0 H LEU A 14 12.110 -3.114 -2.725 1.00 71.44 H new ATOM 0 HA LEU A 14 10.922 -5.760 -2.178 1.00 41.34 H new ATOM 0 HB2 LEU A 14 13.694 -4.760 -2.842 1.00 0.11 H new ATOM 0 HB3 LEU A 14 13.447 -6.335 -2.113 1.00 0.11 H new ATOM 0 HG LEU A 14 12.075 -7.042 -4.021 1.00 41.11 H new ATOM 0 HD11 LEU A 14 11.906 -5.667 -6.056 1.00 14.20 H new ATOM 0 HD12 LEU A 14 11.091 -4.912 -4.667 1.00 14.20 H new ATOM 0 HD13 LEU A 14 12.681 -4.314 -5.198 1.00 14.20 H new ATOM 0 HD21 LEU A 14 13.877 -7.101 -5.731 1.00 33.11 H new ATOM 0 HD22 LEU A 14 14.750 -5.834 -4.838 1.00 33.11 H new ATOM 0 HD23 LEU A 14 14.501 -7.433 -4.098 1.00 33.11 H new ATOM 231 N ILE A 15 11.143 -5.526 0.285 1.00 62.04 N ATOM 232 CA ILE A 15 11.232 -5.412 1.736 1.00 14.32 C ATOM 233 C ILE A 15 10.995 -6.769 2.394 1.00 2.03 C ATOM 234 O ILE A 15 10.059 -7.482 2.033 1.00 73.21 O ATOM 235 CB ILE A 15 10.209 -4.375 2.273 1.00 35.11 C ATOM 236 CG1 ILE A 15 10.302 -4.263 3.806 1.00 12.51 C ATOM 237 CG2 ILE A 15 8.788 -4.734 1.830 1.00 13.13 C ATOM 238 CD1 ILE A 15 9.357 -3.246 4.410 1.00 1.21 C ATOM 0 H ILE A 15 10.375 -6.112 -0.042 1.00 62.04 H new ATOM 0 HA ILE A 15 12.236 -5.069 1.986 1.00 14.32 H new ATOM 0 HB ILE A 15 10.454 -3.401 1.850 1.00 35.11 H new ATOM 0 HG12 ILE A 15 10.096 -5.240 4.244 1.00 12.51 H new ATOM 0 HG13 ILE A 15 11.324 -4.000 4.079 1.00 12.51 H new ATOM 0 HG21 ILE A 15 8.088 -3.994 2.218 1.00 13.13 H new ATOM 0 HG22 ILE A 15 8.738 -4.745 0.741 1.00 13.13 H new ATOM 0 HG23 ILE A 15 8.525 -5.719 2.215 1.00 13.13 H new ATOM 0 HD11 ILE A 15 9.485 -3.228 5.492 1.00 1.21 H new ATOM 0 HD12 ILE A 15 9.576 -2.259 4.003 1.00 1.21 H new ATOM 0 HD13 ILE A 15 8.329 -3.517 4.170 1.00 1.21 H new ATOM 250 N GLN A 16 11.869 -7.130 3.337 1.00 23.21 N ATOM 251 CA GLN A 16 11.742 -8.383 4.088 1.00 0.04 C ATOM 252 C GLN A 16 11.694 -9.589 3.146 1.00 3.34 C ATOM 253 O GLN A 16 11.031 -10.589 3.433 1.00 61.25 O ATOM 254 CB GLN A 16 10.489 -8.347 4.981 1.00 33.35 C ATOM 255 CG GLN A 16 10.524 -7.261 6.051 1.00 60.43 C ATOM 256 CD GLN A 16 11.700 -7.403 7.003 1.00 41.22 C ATOM 257 OE1 GLN A 16 12.777 -6.848 6.774 1.00 72.12 O ATOM 258 NE2 GLN A 16 11.504 -8.160 8.068 1.00 63.04 N ATOM 0 H GLN A 16 12.678 -6.568 3.600 1.00 23.21 H new ATOM 0 HA GLN A 16 12.622 -8.488 4.723 1.00 0.04 H new ATOM 0 HB2 GLN A 16 9.611 -8.196 4.353 1.00 33.35 H new ATOM 0 HB3 GLN A 16 10.372 -9.317 5.465 1.00 33.35 H new ATOM 0 HG2 GLN A 16 10.570 -6.285 5.569 1.00 60.43 H new ATOM 0 HG3 GLN A 16 9.596 -7.291 6.622 1.00 60.43 H new ATOM 0 HE21 GLN A 16 10.597 -8.601 8.220 1.00 63.04 H new ATOM 0 HE22 GLN A 16 12.260 -8.303 8.738 1.00 63.04 H new ATOM 267 N ASN A 17 12.423 -9.490 2.033 1.00 35.41 N ATOM 268 CA ASN A 17 12.478 -10.557 1.028 1.00 21.53 C ATOM 269 C ASN A 17 11.118 -10.735 0.357 1.00 32.44 C ATOM 270 O ASN A 17 10.777 -11.824 -0.116 1.00 2.34 O ATOM 271 CB ASN A 17 12.962 -11.884 1.643 1.00 62.53 C ATOM 272 CG ASN A 17 14.435 -11.849 2.028 1.00 5.22 C ATOM 273 OD1 ASN A 17 14.794 -11.440 3.133 1.00 75.44 O ATOM 274 ND2 ASN A 17 15.296 -12.284 1.119 1.00 43.21 N ATOM 0 H ASN A 17 12.989 -8.674 1.802 1.00 35.41 H new ATOM 0 HA ASN A 17 13.202 -10.262 0.268 1.00 21.53 H new ATOM 0 HB2 ASN A 17 12.365 -12.110 2.526 1.00 62.53 H new ATOM 0 HB3 ASN A 17 12.796 -12.692 0.931 1.00 62.53 H new ATOM 0 HD21 ASN A 17 16.295 -12.288 1.324 1.00 43.21 H new ATOM 0 HD22 ASN A 17 14.959 -12.615 0.215 1.00 43.21 H new ATOM 281 N ALA A 18 10.346 -9.653 0.318 1.00 54.33 N ATOM 282 CA ALA A 18 9.093 -9.606 -0.421 1.00 55.21 C ATOM 283 C ALA A 18 9.211 -8.587 -1.548 1.00 13.13 C ATOM 284 O ALA A 18 9.820 -7.530 -1.367 1.00 54.21 O ATOM 285 CB ALA A 18 7.931 -9.261 0.507 1.00 62.22 C ATOM 0 H ALA A 18 10.574 -8.783 0.800 1.00 54.33 H new ATOM 0 HA ALA A 18 8.891 -10.588 -0.849 1.00 55.21 H new ATOM 0 HB1 ALA A 18 7.004 -9.231 -0.066 1.00 62.22 H new ATOM 0 HB2 ALA A 18 7.851 -10.018 1.287 1.00 62.22 H new ATOM 0 HB3 ALA A 18 8.107 -8.287 0.964 1.00 62.22 H new ATOM 291 N GLU A 19 8.631 -8.901 -2.699 1.00 61.12 N ATOM 292 CA GLU A 19 8.814 -8.097 -3.906 1.00 30.24 C ATOM 293 C GLU A 19 7.519 -7.366 -4.275 1.00 13.32 C ATOM 294 O GLU A 19 6.507 -7.999 -4.598 1.00 74.11 O ATOM 295 CB GLU A 19 9.267 -9.016 -5.053 1.00 64.03 C ATOM 296 CG GLU A 19 9.759 -8.290 -6.298 1.00 44.11 C ATOM 297 CD GLU A 19 10.205 -9.256 -7.390 1.00 64.45 C ATOM 298 OE1 GLU A 19 9.343 -9.991 -7.928 1.00 64.24 O ATOM 299 OE2 GLU A 19 11.413 -9.286 -7.715 1.00 31.43 O ATOM 0 H GLU A 19 8.025 -9.712 -2.825 1.00 61.12 H new ATOM 0 HA GLU A 19 9.577 -7.340 -3.724 1.00 30.24 H new ATOM 0 HB2 GLU A 19 10.065 -9.663 -4.688 1.00 64.03 H new ATOM 0 HB3 GLU A 19 8.435 -9.663 -5.332 1.00 64.03 H new ATOM 0 HG2 GLU A 19 8.963 -7.652 -6.683 1.00 44.11 H new ATOM 0 HG3 GLU A 19 10.590 -7.637 -6.031 1.00 44.11 H new ATOM 306 N PHE A 20 7.555 -6.035 -4.201 1.00 2.33 N ATOM 307 CA PHE A 20 6.421 -5.181 -4.568 1.00 12.53 C ATOM 308 C PHE A 20 6.879 -4.088 -5.534 1.00 23.25 C ATOM 309 O PHE A 20 8.078 -3.921 -5.760 1.00 12.12 O ATOM 310 CB PHE A 20 5.809 -4.514 -3.323 1.00 31.55 C ATOM 311 CG PHE A 20 5.234 -5.471 -2.306 1.00 24.44 C ATOM 312 CD1 PHE A 20 6.026 -5.992 -1.293 1.00 2.04 C ATOM 313 CD2 PHE A 20 3.895 -5.838 -2.357 1.00 44.12 C ATOM 314 CE1 PHE A 20 5.496 -6.858 -0.356 1.00 50.14 C ATOM 315 CE2 PHE A 20 3.361 -6.701 -1.420 1.00 43.33 C ATOM 316 CZ PHE A 20 4.164 -7.213 -0.418 1.00 21.34 C ATOM 0 H PHE A 20 8.374 -5.516 -3.884 1.00 2.33 H new ATOM 0 HA PHE A 20 5.669 -5.811 -5.044 1.00 12.53 H new ATOM 0 HB2 PHE A 20 6.576 -3.910 -2.839 1.00 31.55 H new ATOM 0 HB3 PHE A 20 5.022 -3.832 -3.644 1.00 31.55 H new ATOM 0 HD1 PHE A 20 7.069 -5.717 -1.236 1.00 2.04 H new ATOM 0 HD2 PHE A 20 3.264 -5.443 -3.139 1.00 44.12 H new ATOM 0 HE1 PHE A 20 6.125 -7.258 0.426 1.00 50.14 H new ATOM 0 HE2 PHE A 20 2.318 -6.975 -1.470 1.00 43.33 H new ATOM 0 HZ PHE A 20 3.750 -7.890 0.315 1.00 21.34 H new ATOM 326 N GLU A 21 5.930 -3.347 -6.098 1.00 32.33 N ATOM 327 CA GLU A 21 6.246 -2.160 -6.896 1.00 12.42 C ATOM 328 C GLU A 21 5.148 -1.114 -6.713 1.00 61.44 C ATOM 329 O GLU A 21 4.015 -1.453 -6.356 1.00 43.33 O ATOM 330 CB GLU A 21 6.408 -2.493 -8.394 1.00 12.42 C ATOM 331 CG GLU A 21 5.093 -2.587 -9.170 1.00 3.04 C ATOM 332 CD GLU A 21 5.303 -2.753 -10.670 1.00 20.13 C ATOM 333 OE1 GLU A 21 5.685 -1.763 -11.336 1.00 5.21 O ATOM 334 OE2 GLU A 21 5.077 -3.867 -11.195 1.00 21.50 O ATOM 0 H GLU A 21 4.933 -3.546 -6.019 1.00 32.33 H new ATOM 0 HA GLU A 21 7.200 -1.767 -6.544 1.00 12.42 H new ATOM 0 HB2 GLU A 21 7.034 -1.730 -8.857 1.00 12.42 H new ATOM 0 HB3 GLU A 21 6.938 -3.441 -8.487 1.00 12.42 H new ATOM 0 HG2 GLU A 21 4.514 -3.430 -8.793 1.00 3.04 H new ATOM 0 HG3 GLU A 21 4.504 -1.688 -8.988 1.00 3.04 H new ATOM 341 N LEU A 22 5.485 0.151 -6.955 1.00 12.20 N ATOM 342 CA LEU A 22 4.521 1.242 -6.841 1.00 1.42 C ATOM 343 C LEU A 22 3.733 1.388 -8.143 1.00 71.45 C ATOM 344 O LEU A 22 4.262 1.876 -9.147 1.00 31.03 O ATOM 345 CB LEU A 22 5.233 2.564 -6.508 1.00 11.32 C ATOM 346 CG LEU A 22 4.308 3.787 -6.356 1.00 43.42 C ATOM 347 CD1 LEU A 22 3.373 3.620 -5.159 1.00 1.10 C ATOM 348 CD2 LEU A 22 5.121 5.073 -6.232 1.00 53.33 C ATOM 0 H LEU A 22 6.421 0.446 -7.232 1.00 12.20 H new ATOM 0 HA LEU A 22 3.831 1.006 -6.031 1.00 1.42 H new ATOM 0 HB2 LEU A 22 5.792 2.434 -5.581 1.00 11.32 H new ATOM 0 HB3 LEU A 22 5.960 2.774 -7.292 1.00 11.32 H new ATOM 0 HG LEU A 22 3.696 3.858 -7.255 1.00 43.42 H new ATOM 0 HD11 LEU A 22 2.731 4.497 -5.074 1.00 1.10 H new ATOM 0 HD12 LEU A 22 2.757 2.731 -5.299 1.00 1.10 H new ATOM 0 HD13 LEU A 22 3.963 3.513 -4.249 1.00 1.10 H new ATOM 0 HD21 LEU A 22 4.445 5.922 -6.126 1.00 53.33 H new ATOM 0 HD22 LEU A 22 5.767 5.012 -5.356 1.00 53.33 H new ATOM 0 HD23 LEU A 22 5.732 5.205 -7.125 1.00 53.33 H new ATOM 360 N VAL A 23 2.474 0.959 -8.127 1.00 21.43 N ATOM 361 CA VAL A 23 1.633 1.008 -9.320 1.00 74.10 C ATOM 362 C VAL A 23 0.799 2.289 -9.363 1.00 31.43 C ATOM 363 O VAL A 23 0.369 2.725 -10.434 1.00 61.31 O ATOM 364 CB VAL A 23 0.698 -0.227 -9.415 1.00 54.11 C ATOM 365 CG1 VAL A 23 1.513 -1.519 -9.436 1.00 53.51 C ATOM 366 CG2 VAL A 23 -0.318 -0.245 -8.271 1.00 62.13 C ATOM 0 H VAL A 23 2.014 0.574 -7.302 1.00 21.43 H new ATOM 0 HA VAL A 23 2.307 0.998 -10.177 1.00 74.10 H new ATOM 0 HB VAL A 23 0.143 -0.154 -10.350 1.00 54.11 H new ATOM 0 HG11 VAL A 23 0.839 -2.373 -9.503 1.00 53.51 H new ATOM 0 HG12 VAL A 23 2.180 -1.515 -10.298 1.00 53.51 H new ATOM 0 HG13 VAL A 23 2.102 -1.592 -8.522 1.00 53.51 H new ATOM 0 HG21 VAL A 23 -0.958 -1.122 -8.366 1.00 62.13 H new ATOM 0 HG22 VAL A 23 0.209 -0.282 -7.317 1.00 62.13 H new ATOM 0 HG23 VAL A 23 -0.930 0.656 -8.313 1.00 62.13 H new ATOM 376 N HIS A 24 0.582 2.895 -8.195 1.00 15.52 N ATOM 377 CA HIS A 24 -0.227 4.112 -8.096 1.00 1.20 C ATOM 378 C HIS A 24 0.166 4.929 -6.867 1.00 12.24 C ATOM 379 O HIS A 24 0.405 4.375 -5.799 1.00 24.02 O ATOM 380 CB HIS A 24 -1.719 3.752 -8.033 1.00 61.34 C ATOM 381 CG HIS A 24 -2.639 4.934 -7.901 1.00 1.42 C ATOM 382 ND1 HIS A 24 -2.473 6.112 -8.598 1.00 60.35 N ATOM 383 CD2 HIS A 24 -3.741 5.113 -7.130 1.00 12.30 C ATOM 384 CE1 HIS A 24 -3.425 6.962 -8.259 1.00 71.31 C ATOM 385 NE2 HIS A 24 -4.211 6.381 -7.371 1.00 13.41 N ATOM 0 H HIS A 24 0.954 2.564 -7.305 1.00 15.52 H new ATOM 0 HA HIS A 24 -0.043 4.717 -8.984 1.00 1.20 H new ATOM 0 HB2 HIS A 24 -1.985 3.199 -8.934 1.00 61.34 H new ATOM 0 HB3 HIS A 24 -1.883 3.083 -7.188 1.00 61.34 H new ATOM 0 HD1 HIS A 24 -1.730 6.298 -9.271 1.00 60.35 H new ATOM 0 HD2 HIS A 24 -4.170 4.391 -6.451 1.00 12.30 H new ATOM 0 HE1 HIS A 24 -3.541 7.964 -8.644 1.00 71.31 H new ATOM 394 N ASN A 25 0.227 6.246 -7.031 1.00 53.43 N ATOM 395 CA ASN A 25 0.533 7.161 -5.930 1.00 73.43 C ATOM 396 C ASN A 25 -0.354 8.397 -6.037 1.00 43.22 C ATOM 397 O ASN A 25 -0.815 8.736 -7.129 1.00 4.15 O ATOM 398 CB ASN A 25 2.016 7.568 -5.961 1.00 24.23 C ATOM 399 CG ASN A 25 2.402 8.513 -4.830 1.00 3.15 C ATOM 400 OD1 ASN A 25 1.836 8.466 -3.738 1.00 23.25 O ATOM 401 ND2 ASN A 25 3.372 9.380 -5.086 1.00 60.02 N ATOM 0 H ASN A 25 0.067 6.711 -7.925 1.00 53.43 H new ATOM 0 HA ASN A 25 0.338 6.656 -4.984 1.00 73.43 H new ATOM 0 HB2 ASN A 25 2.634 6.672 -5.904 1.00 24.23 H new ATOM 0 HB3 ASN A 25 2.235 8.046 -6.916 1.00 24.23 H new ATOM 0 HD21 ASN A 25 3.672 10.037 -4.366 1.00 60.02 H new ATOM 0 HD22 ASN A 25 3.818 9.390 -6.003 1.00 60.02 H new ATOM 408 N PHE A 26 -0.609 9.052 -4.909 1.00 72.40 N ATOM 409 CA PHE A 26 -1.436 10.251 -4.888 1.00 54.53 C ATOM 410 C PHE A 26 -0.987 11.199 -3.784 1.00 13.13 C ATOM 411 O PHE A 26 -0.766 10.782 -2.644 1.00 20.52 O ATOM 412 CB PHE A 26 -2.916 9.884 -4.698 1.00 74.12 C ATOM 413 CG PHE A 26 -3.820 11.078 -4.473 1.00 55.41 C ATOM 414 CD1 PHE A 26 -4.004 12.034 -5.467 1.00 54.12 C ATOM 415 CD2 PHE A 26 -4.483 11.246 -3.262 1.00 42.24 C ATOM 416 CE1 PHE A 26 -4.828 13.124 -5.258 1.00 43.40 C ATOM 417 CE2 PHE A 26 -5.307 12.335 -3.050 1.00 12.12 C ATOM 418 CZ PHE A 26 -5.480 13.273 -4.049 1.00 35.44 C ATOM 0 H PHE A 26 -0.253 8.771 -3.995 1.00 72.40 H new ATOM 0 HA PHE A 26 -1.320 10.756 -5.847 1.00 54.53 H new ATOM 0 HB2 PHE A 26 -3.261 9.340 -5.577 1.00 74.12 H new ATOM 0 HB3 PHE A 26 -3.006 9.207 -3.848 1.00 74.12 H new ATOM 0 HD1 PHE A 26 -3.497 11.923 -6.414 1.00 54.12 H new ATOM 0 HD2 PHE A 26 -4.352 10.516 -2.477 1.00 42.24 H new ATOM 0 HE1 PHE A 26 -4.962 13.858 -6.039 1.00 43.40 H new ATOM 0 HE2 PHE A 26 -5.815 12.452 -2.104 1.00 12.12 H new ATOM 0 HZ PHE A 26 -6.125 14.123 -3.885 1.00 35.44 H new ATOM 428 N LYS A 27 -0.832 12.468 -4.149 1.00 30.20 N ATOM 429 CA LYS A 27 -0.590 13.549 -3.193 1.00 24.33 C ATOM 430 C LYS A 27 0.722 13.339 -2.436 1.00 63.41 C ATOM 431 O LYS A 27 0.887 13.834 -1.320 1.00 12.15 O ATOM 432 CB LYS A 27 -1.776 13.657 -2.208 1.00 11.10 C ATOM 433 CG LYS A 27 -2.087 15.077 -1.723 1.00 31.31 C ATOM 434 CD LYS A 27 -3.101 15.788 -2.629 1.00 22.52 C ATOM 435 CE LYS A 27 -2.562 16.049 -4.036 1.00 64.51 C ATOM 436 NZ LYS A 27 -1.509 17.096 -4.052 1.00 4.43 N ATOM 0 H LYS A 27 -0.870 12.779 -5.120 1.00 30.20 H new ATOM 0 HA LYS A 27 -0.503 14.483 -3.748 1.00 24.33 H new ATOM 0 HB2 LYS A 27 -2.666 13.250 -2.688 1.00 11.10 H new ATOM 0 HB3 LYS A 27 -1.567 13.031 -1.341 1.00 11.10 H new ATOM 0 HG2 LYS A 27 -2.477 15.035 -0.706 1.00 31.31 H new ATOM 0 HG3 LYS A 27 -1.165 15.657 -1.687 1.00 31.31 H new ATOM 0 HD2 LYS A 27 -4.005 15.183 -2.698 1.00 22.52 H new ATOM 0 HD3 LYS A 27 -3.386 16.736 -2.173 1.00 22.52 H new ATOM 0 HE2 LYS A 27 -2.157 15.123 -4.445 1.00 64.51 H new ATOM 0 HE3 LYS A 27 -3.382 16.352 -4.686 1.00 64.51 H new ATOM 0 HZ1 LYS A 27 -1.199 17.262 -5.031 1.00 4.43 H new ATOM 0 HZ2 LYS A 27 -1.891 17.978 -3.656 1.00 4.43 H new ATOM 0 HZ3 LYS A 27 -0.699 16.782 -3.481 1.00 4.43 H new ATOM 450 N ASP A 28 1.652 12.609 -3.057 1.00 71.23 N ATOM 451 CA ASP A 28 2.980 12.367 -2.481 1.00 65.25 C ATOM 452 C ASP A 28 2.880 11.556 -1.193 1.00 34.04 C ATOM 453 O ASP A 28 3.796 11.574 -0.364 1.00 24.45 O ATOM 454 CB ASP A 28 3.713 13.695 -2.209 1.00 53.13 C ATOM 455 CG ASP A 28 3.992 14.483 -3.476 1.00 51.43 C ATOM 456 OD1 ASP A 28 5.026 14.223 -4.127 1.00 5.22 O ATOM 457 OD2 ASP A 28 3.178 15.366 -3.832 1.00 63.55 O ATOM 0 H ASP A 28 1.509 12.171 -3.967 1.00 71.23 H new ATOM 0 HA ASP A 28 3.553 11.793 -3.209 1.00 65.25 H new ATOM 0 HB2 ASP A 28 3.113 14.304 -1.533 1.00 53.13 H new ATOM 0 HB3 ASP A 28 4.655 13.488 -1.701 1.00 53.13 H new ATOM 462 N GLY A 29 1.772 10.836 -1.041 1.00 31.20 N ATOM 463 CA GLY A 29 1.552 10.034 0.149 1.00 74.35 C ATOM 464 C GLY A 29 2.538 8.890 0.270 1.00 2.11 C ATOM 465 O GLY A 29 2.820 8.414 1.378 1.00 74.12 O ATOM 0 H GLY A 29 1.018 10.794 -1.726 1.00 31.20 H new ATOM 0 HA2 GLY A 29 1.629 10.670 1.031 1.00 74.35 H new ATOM 0 HA3 GLY A 29 0.538 9.635 0.131 1.00 74.35 H new ATOM 469 N PHE A 30 3.063 8.440 -0.869 1.00 11.00 N ATOM 470 CA PHE A 30 4.016 7.338 -0.891 1.00 41.33 C ATOM 471 C PHE A 30 5.311 7.712 -0.168 1.00 24.11 C ATOM 472 O PHE A 30 6.179 8.392 -0.720 1.00 12.33 O ATOM 473 CB PHE A 30 4.323 6.900 -2.332 1.00 72.12 C ATOM 474 CG PHE A 30 5.359 5.803 -2.414 1.00 62.43 C ATOM 475 CD1 PHE A 30 5.080 4.527 -1.938 1.00 42.33 C ATOM 476 CD2 PHE A 30 6.615 6.054 -2.949 1.00 33.05 C ATOM 477 CE1 PHE A 30 6.033 3.528 -1.998 1.00 50.23 C ATOM 478 CE2 PHE A 30 7.568 5.057 -3.007 1.00 3.43 C ATOM 479 CZ PHE A 30 7.276 3.795 -2.533 1.00 52.11 C ATOM 0 H PHE A 30 2.842 8.824 -1.788 1.00 11.00 H new ATOM 0 HA PHE A 30 3.557 6.501 -0.365 1.00 41.33 H new ATOM 0 HB2 PHE A 30 3.402 6.557 -2.804 1.00 72.12 H new ATOM 0 HB3 PHE A 30 4.671 7.762 -2.900 1.00 72.12 H new ATOM 0 HD1 PHE A 30 4.108 4.314 -1.517 1.00 42.33 H new ATOM 0 HD2 PHE A 30 6.849 7.039 -3.324 1.00 33.05 H new ATOM 0 HE1 PHE A 30 5.805 2.540 -1.627 1.00 50.23 H new ATOM 0 HE2 PHE A 30 8.542 5.265 -3.424 1.00 3.43 H new ATOM 0 HZ PHE A 30 8.021 3.015 -2.581 1.00 52.11 H new ATOM 489 N ASN A 31 5.420 7.274 1.081 1.00 45.31 N ATOM 490 CA ASN A 31 6.643 7.434 1.863 1.00 60.33 C ATOM 491 C ASN A 31 7.114 6.067 2.343 1.00 12.21 C ATOM 492 O ASN A 31 6.473 5.454 3.200 1.00 73.42 O ATOM 493 CB ASN A 31 6.408 8.361 3.068 1.00 62.24 C ATOM 494 CG ASN A 31 6.148 9.806 2.663 1.00 62.54 C ATOM 495 OD1 ASN A 31 7.075 10.606 2.560 1.00 25.14 O ATOM 496 ND2 ASN A 31 4.891 10.144 2.423 1.00 40.42 N ATOM 0 H ASN A 31 4.667 6.800 1.580 1.00 45.31 H new ATOM 0 HA ASN A 31 7.407 7.888 1.232 1.00 60.33 H new ATOM 0 HB2 ASN A 31 5.559 7.992 3.644 1.00 62.24 H new ATOM 0 HB3 ASN A 31 7.278 8.324 3.724 1.00 62.24 H new ATOM 0 HD21 ASN A 31 4.664 11.098 2.141 1.00 40.42 H new ATOM 0 HD22 ASN A 31 4.149 9.451 2.520 1.00 40.42 H new ATOM 503 N GLU A 32 8.219 5.583 1.773 1.00 33.32 N ATOM 504 CA GLU A 32 8.770 4.275 2.134 1.00 75.14 C ATOM 505 C GLU A 32 8.926 4.161 3.649 1.00 25.43 C ATOM 506 O GLU A 32 8.606 3.132 4.240 1.00 75.33 O ATOM 507 CB GLU A 32 10.133 4.049 1.466 1.00 45.14 C ATOM 508 CG GLU A 32 10.710 2.653 1.715 1.00 2.44 C ATOM 509 CD GLU A 32 12.193 2.550 1.389 1.00 11.34 C ATOM 510 OE1 GLU A 32 12.615 3.055 0.325 1.00 11.22 O ATOM 511 OE2 GLU A 32 12.947 1.979 2.210 1.00 41.30 O ATOM 0 H GLU A 32 8.751 6.078 1.058 1.00 33.32 H new ATOM 0 HA GLU A 32 8.074 3.514 1.782 1.00 75.14 H new ATOM 0 HB2 GLU A 32 10.033 4.206 0.392 1.00 45.14 H new ATOM 0 HB3 GLU A 32 10.837 4.796 1.833 1.00 45.14 H new ATOM 0 HG2 GLU A 32 10.555 2.384 2.760 1.00 2.44 H new ATOM 0 HG3 GLU A 32 10.161 1.928 1.114 1.00 2.44 H new ATOM 518 N GLU A 33 9.406 5.242 4.259 1.00 71.04 N ATOM 519 CA GLU A 33 9.616 5.308 5.704 1.00 42.43 C ATOM 520 C GLU A 33 8.342 4.942 6.471 1.00 54.44 C ATOM 521 O GLU A 33 8.396 4.250 7.489 1.00 32.13 O ATOM 522 CB GLU A 33 10.079 6.719 6.084 1.00 42.44 C ATOM 523 CG GLU A 33 9.115 7.816 5.640 1.00 24.32 C ATOM 524 CD GLU A 33 9.677 9.209 5.846 1.00 63.24 C ATOM 525 OE1 GLU A 33 10.436 9.679 4.976 1.00 12.42 O ATOM 526 OE2 GLU A 33 9.366 9.837 6.881 1.00 71.32 O ATOM 0 H GLU A 33 9.661 6.098 3.766 1.00 71.04 H new ATOM 0 HA GLU A 33 10.383 4.583 5.977 1.00 42.43 H new ATOM 0 HB2 GLU A 33 10.205 6.773 7.165 1.00 42.44 H new ATOM 0 HB3 GLU A 33 11.057 6.904 5.640 1.00 42.44 H new ATOM 0 HG2 GLU A 33 8.875 7.678 4.586 1.00 24.32 H new ATOM 0 HG3 GLU A 33 8.182 7.720 6.195 1.00 24.32 H new ATOM 533 N ALA A 34 7.201 5.394 5.961 1.00 52.33 N ATOM 534 CA ALA A 34 5.913 5.130 6.597 1.00 44.23 C ATOM 535 C ALA A 34 5.451 3.709 6.285 1.00 11.42 C ATOM 536 O ALA A 34 4.893 3.022 7.138 1.00 31.33 O ATOM 537 CB ALA A 34 4.877 6.151 6.138 1.00 34.42 C ATOM 0 H ALA A 34 7.141 5.947 5.106 1.00 52.33 H new ATOM 0 HA ALA A 34 6.028 5.223 7.677 1.00 44.23 H new ATOM 0 HB1 ALA A 34 3.922 5.942 6.620 1.00 34.42 H new ATOM 0 HB2 ALA A 34 5.209 7.153 6.409 1.00 34.42 H new ATOM 0 HB3 ALA A 34 4.759 6.088 5.056 1.00 34.42 H new ATOM 543 N PHE A 35 5.707 3.280 5.055 1.00 73.04 N ATOM 544 CA PHE A 35 5.354 1.936 4.606 1.00 11.21 C ATOM 545 C PHE A 35 6.063 0.876 5.455 1.00 74.51 C ATOM 546 O PHE A 35 5.420 0.029 6.078 1.00 20.21 O ATOM 547 CB PHE A 35 5.719 1.774 3.118 1.00 65.13 C ATOM 548 CG PHE A 35 5.660 0.352 2.602 1.00 15.44 C ATOM 549 CD1 PHE A 35 4.451 -0.225 2.236 1.00 31.34 C ATOM 550 CD2 PHE A 35 6.820 -0.403 2.478 1.00 22.25 C ATOM 551 CE1 PHE A 35 4.404 -1.523 1.758 1.00 32.30 C ATOM 552 CE2 PHE A 35 6.776 -1.697 2.002 1.00 60.30 C ATOM 553 CZ PHE A 35 5.566 -2.259 1.641 1.00 12.14 C ATOM 0 H PHE A 35 6.163 3.850 4.343 1.00 73.04 H new ATOM 0 HA PHE A 35 4.280 1.795 4.725 1.00 11.21 H new ATOM 0 HB2 PHE A 35 5.044 2.390 2.524 1.00 65.13 H new ATOM 0 HB3 PHE A 35 6.726 2.161 2.961 1.00 65.13 H new ATOM 0 HD1 PHE A 35 3.538 0.345 2.325 1.00 31.34 H new ATOM 0 HD2 PHE A 35 7.769 0.029 2.758 1.00 22.25 H new ATOM 0 HE1 PHE A 35 3.458 -1.960 1.476 1.00 32.30 H new ATOM 0 HE2 PHE A 35 7.687 -2.271 1.911 1.00 60.30 H new ATOM 0 HZ PHE A 35 5.530 -3.272 1.268 1.00 12.14 H new ATOM 563 N LYS A 36 7.388 0.954 5.498 1.00 23.33 N ATOM 564 CA LYS A 36 8.210 -0.043 6.182 1.00 25.03 C ATOM 565 C LYS A 36 7.974 -0.022 7.697 1.00 3.04 C ATOM 566 O LYS A 36 8.239 -1.006 8.386 1.00 24.30 O ATOM 567 CB LYS A 36 9.692 0.199 5.856 1.00 1.33 C ATOM 568 CG LYS A 36 10.242 1.523 6.391 1.00 43.51 C ATOM 569 CD LYS A 36 11.463 2.007 5.606 1.00 4.12 C ATOM 570 CE LYS A 36 12.631 1.024 5.660 1.00 53.10 C ATOM 571 NZ LYS A 36 13.797 1.514 4.871 1.00 13.25 N ATOM 0 H LYS A 36 7.923 1.706 5.063 1.00 23.33 H new ATOM 0 HA LYS A 36 7.922 -1.032 5.825 1.00 25.03 H new ATOM 0 HB2 LYS A 36 10.282 -0.620 6.268 1.00 1.33 H new ATOM 0 HB3 LYS A 36 9.824 0.174 4.774 1.00 1.33 H new ATOM 0 HG2 LYS A 36 9.461 2.282 6.347 1.00 43.51 H new ATOM 0 HG3 LYS A 36 10.512 1.404 7.440 1.00 43.51 H new ATOM 0 HD2 LYS A 36 11.179 2.170 4.566 1.00 4.12 H new ATOM 0 HD3 LYS A 36 11.786 2.970 6.003 1.00 4.12 H new ATOM 0 HE2 LYS A 36 12.931 0.871 6.697 1.00 53.10 H new ATOM 0 HE3 LYS A 36 12.311 0.056 5.274 1.00 53.10 H new ATOM 0 HZ1 LYS A 36 14.546 0.792 4.874 1.00 13.25 H new ATOM 0 HZ2 LYS A 36 13.500 1.701 3.892 1.00 13.25 H new ATOM 0 HZ3 LYS A 36 14.160 2.391 5.296 1.00 13.25 H new ATOM 585 N ALA A 37 7.466 1.099 8.203 1.00 44.20 N ATOM 586 CA ALA A 37 7.193 1.251 9.631 1.00 10.34 C ATOM 587 C ALA A 37 5.851 0.616 10.009 1.00 42.43 C ATOM 588 O ALA A 37 5.592 0.337 11.184 1.00 14.44 O ATOM 589 CB ALA A 37 7.204 2.731 10.011 1.00 74.42 C ATOM 0 H ALA A 37 7.234 1.919 7.643 1.00 44.20 H new ATOM 0 HA ALA A 37 7.977 0.734 10.184 1.00 10.34 H new ATOM 0 HB1 ALA A 37 7.000 2.835 11.077 1.00 74.42 H new ATOM 0 HB2 ALA A 37 8.182 3.157 9.786 1.00 74.42 H new ATOM 0 HB3 ALA A 37 6.439 3.258 9.442 1.00 74.42 H new ATOM 595 N ARG A 38 4.998 0.397 9.009 1.00 10.53 N ATOM 596 CA ARG A 38 3.659 -0.152 9.237 1.00 31.32 C ATOM 597 C ARG A 38 3.505 -1.530 8.594 1.00 65.33 C ATOM 598 O ARG A 38 2.555 -2.257 8.890 1.00 42.42 O ATOM 599 CB ARG A 38 2.600 0.799 8.663 1.00 23.41 C ATOM 600 CG ARG A 38 2.627 2.214 9.246 1.00 55.33 C ATOM 601 CD ARG A 38 1.999 2.295 10.637 1.00 13.45 C ATOM 602 NE ARG A 38 2.782 1.606 11.671 1.00 1.35 N ATOM 603 CZ ARG A 38 2.820 1.987 12.947 1.00 12.22 C ATOM 604 NH1 ARG A 38 2.236 3.121 13.323 1.00 72.23 N ATOM 605 NH2 ARG A 38 3.472 1.256 13.841 1.00 73.11 N ATOM 0 H ARG A 38 5.210 0.591 8.030 1.00 10.53 H new ATOM 0 HA ARG A 38 3.520 -0.257 10.313 1.00 31.32 H new ATOM 0 HB2 ARG A 38 2.736 0.863 7.583 1.00 23.41 H new ATOM 0 HB3 ARG A 38 1.613 0.369 8.835 1.00 23.41 H new ATOM 0 HG2 ARG A 38 3.659 2.561 9.298 1.00 55.33 H new ATOM 0 HG3 ARG A 38 2.097 2.889 8.574 1.00 55.33 H new ATOM 0 HD2 ARG A 38 1.885 3.343 10.916 1.00 13.45 H new ATOM 0 HD3 ARG A 38 0.999 1.864 10.602 1.00 13.45 H new ATOM 0 HE ARG A 38 3.328 0.789 11.397 1.00 1.35 H new ATOM 0 HH11 ARG A 38 1.758 3.701 12.634 1.00 72.23 H new ATOM 0 HH12 ARG A 38 2.266 3.411 14.301 1.00 72.23 H new ATOM 0 HH21 ARG A 38 3.946 0.400 13.552 1.00 73.11 H new ATOM 0 HH22 ARG A 38 3.500 1.550 14.817 1.00 73.11 H new ATOM 619 N TYR A 39 4.437 -1.879 7.713 1.00 24.03 N ATOM 620 CA TYR A 39 4.353 -3.118 6.944 1.00 53.02 C ATOM 621 C TYR A 39 4.370 -4.349 7.849 1.00 54.14 C ATOM 622 O TYR A 39 5.123 -4.419 8.824 1.00 4.21 O ATOM 623 CB TYR A 39 5.496 -3.202 5.920 1.00 32.44 C ATOM 624 CG TYR A 39 5.491 -4.486 5.107 1.00 2.40 C ATOM 625 CD1 TYR A 39 4.536 -4.705 4.117 1.00 65.43 C ATOM 626 CD2 TYR A 39 6.434 -5.484 5.336 1.00 55.03 C ATOM 627 CE1 TYR A 39 4.524 -5.875 3.382 1.00 25.44 C ATOM 628 CE2 TYR A 39 6.425 -6.658 4.606 1.00 71.23 C ATOM 629 CZ TYR A 39 5.469 -6.849 3.632 1.00 11.22 C ATOM 630 OH TYR A 39 5.454 -8.018 2.905 1.00 22.32 O ATOM 0 H TYR A 39 5.265 -1.318 7.512 1.00 24.03 H new ATOM 0 HA TYR A 39 3.401 -3.104 6.414 1.00 53.02 H new ATOM 0 HB2 TYR A 39 5.428 -2.352 5.241 1.00 32.44 H new ATOM 0 HB3 TYR A 39 6.448 -3.117 6.443 1.00 32.44 H new ATOM 0 HD1 TYR A 39 3.792 -3.947 3.920 1.00 65.43 H new ATOM 0 HD2 TYR A 39 7.186 -5.339 6.097 1.00 55.03 H new ATOM 0 HE1 TYR A 39 3.778 -6.026 2.615 1.00 25.44 H new ATOM 0 HE2 TYR A 39 7.164 -7.422 4.798 1.00 71.23 H new ATOM 0 HH TYR A 39 5.157 -7.831 1.990 1.00 22.32 H new ATOM 640 N SER A 40 3.518 -5.308 7.513 1.00 31.25 N ATOM 641 CA SER A 40 3.447 -6.586 8.202 1.00 42.24 C ATOM 642 C SER A 40 3.120 -7.686 7.188 1.00 73.21 C ATOM 643 O SER A 40 2.419 -7.437 6.205 1.00 13.04 O ATOM 644 CB SER A 40 2.387 -6.537 9.310 1.00 35.33 C ATOM 645 OG SER A 40 2.686 -5.528 10.266 1.00 75.42 O ATOM 0 H SER A 40 2.851 -5.218 6.747 1.00 31.25 H new ATOM 0 HA SER A 40 4.409 -6.803 8.667 1.00 42.24 H new ATOM 0 HB2 SER A 40 1.408 -6.347 8.871 1.00 35.33 H new ATOM 0 HB3 SER A 40 2.331 -7.506 9.806 1.00 35.33 H new ATOM 0 HG SER A 40 1.993 -5.518 10.959 1.00 75.42 H new ATOM 651 N ASP A 41 3.626 -8.896 7.432 1.00 31.04 N ATOM 652 CA ASP A 41 3.467 -10.021 6.499 1.00 2.02 C ATOM 653 C ASP A 41 1.992 -10.306 6.201 1.00 24.15 C ATOM 654 O ASP A 41 1.643 -10.747 5.102 1.00 74.33 O ATOM 655 CB ASP A 41 4.135 -11.285 7.062 1.00 12.13 C ATOM 656 CG ASP A 41 3.397 -11.855 8.266 1.00 22.22 C ATOM 657 OD1 ASP A 41 3.432 -11.227 9.342 1.00 42.11 O ATOM 658 OD2 ASP A 41 2.770 -12.929 8.139 1.00 20.31 O ATOM 0 H ASP A 41 4.154 -9.126 8.274 1.00 31.04 H new ATOM 0 HA ASP A 41 3.954 -9.739 5.565 1.00 2.02 H new ATOM 0 HB2 ASP A 41 4.186 -12.043 6.280 1.00 12.13 H new ATOM 0 HB3 ASP A 41 5.161 -11.052 7.347 1.00 12.13 H new ATOM 663 N ILE A 42 1.136 -10.045 7.185 1.00 44.41 N ATOM 664 CA ILE A 42 -0.312 -10.247 7.051 1.00 25.11 C ATOM 665 C ILE A 42 -0.884 -9.461 5.861 1.00 61.23 C ATOM 666 O ILE A 42 -1.906 -9.832 5.289 1.00 51.41 O ATOM 667 CB ILE A 42 -1.050 -9.829 8.356 1.00 25.41 C ATOM 668 CG1 ILE A 42 -2.573 -10.045 8.237 1.00 53.12 C ATOM 669 CG2 ILE A 42 -0.736 -8.374 8.711 1.00 75.01 C ATOM 670 CD1 ILE A 42 -2.978 -11.484 7.975 1.00 35.14 C ATOM 0 H ILE A 42 1.421 -9.688 8.097 1.00 44.41 H new ATOM 0 HA ILE A 42 -0.474 -11.310 6.871 1.00 25.11 H new ATOM 0 HB ILE A 42 -0.687 -10.468 9.161 1.00 25.41 H new ATOM 0 HG12 ILE A 42 -3.050 -9.707 9.157 1.00 53.12 H new ATOM 0 HG13 ILE A 42 -2.956 -9.419 7.431 1.00 53.12 H new ATOM 0 HG21 ILE A 42 -1.261 -8.101 9.626 1.00 75.01 H new ATOM 0 HG22 ILE A 42 0.338 -8.260 8.861 1.00 75.01 H new ATOM 0 HG23 ILE A 42 -1.060 -7.723 7.899 1.00 75.01 H new ATOM 0 HD11 ILE A 42 -4.064 -11.549 7.905 1.00 35.14 H new ATOM 0 HD12 ILE A 42 -2.533 -11.823 7.039 1.00 35.14 H new ATOM 0 HD13 ILE A 42 -2.629 -12.115 8.792 1.00 35.14 H new ATOM 682 N LEU A 43 -0.207 -8.386 5.484 1.00 41.23 N ATOM 683 CA LEU A 43 -0.681 -7.512 4.414 1.00 51.42 C ATOM 684 C LEU A 43 -0.383 -8.101 3.030 1.00 23.20 C ATOM 685 O LEU A 43 -1.103 -7.838 2.065 1.00 4.45 O ATOM 686 CB LEU A 43 -0.031 -6.129 4.557 1.00 5.12 C ATOM 687 CG LEU A 43 -0.331 -5.400 5.880 1.00 41.31 C ATOM 688 CD1 LEU A 43 0.466 -4.102 5.976 1.00 71.42 C ATOM 689 CD2 LEU A 43 -1.830 -5.128 6.021 1.00 71.22 C ATOM 0 H LEU A 43 0.676 -8.095 5.903 1.00 41.23 H new ATOM 0 HA LEU A 43 -1.763 -7.418 4.502 1.00 51.42 H new ATOM 0 HB2 LEU A 43 1.049 -6.240 4.458 1.00 5.12 H new ATOM 0 HB3 LEU A 43 -0.364 -5.501 3.731 1.00 5.12 H new ATOM 0 HG LEU A 43 -0.024 -6.048 6.701 1.00 41.31 H new ATOM 0 HD11 LEU A 43 0.238 -3.604 6.918 1.00 71.42 H new ATOM 0 HD12 LEU A 43 1.532 -4.325 5.932 1.00 71.42 H new ATOM 0 HD13 LEU A 43 0.198 -3.448 5.146 1.00 71.42 H new ATOM 0 HD21 LEU A 43 -2.019 -4.612 6.963 1.00 71.22 H new ATOM 0 HD22 LEU A 43 -2.166 -4.505 5.192 1.00 71.22 H new ATOM 0 HD23 LEU A 43 -2.374 -6.073 6.009 1.00 71.22 H new ATOM 701 N ASN A 44 0.669 -8.910 2.947 1.00 21.45 N ATOM 702 CA ASN A 44 1.126 -9.464 1.667 1.00 1.25 C ATOM 703 C ASN A 44 0.042 -10.312 0.994 1.00 52.42 C ATOM 704 O ASN A 44 -0.070 -10.328 -0.232 1.00 44.04 O ATOM 705 CB ASN A 44 2.394 -10.306 1.874 1.00 12.31 C ATOM 706 CG ASN A 44 2.877 -10.968 0.590 1.00 21.24 C ATOM 707 OD1 ASN A 44 3.642 -10.381 -0.174 1.00 25.42 O ATOM 708 ND2 ASN A 44 2.445 -12.200 0.354 1.00 74.44 N ATOM 0 H ASN A 44 1.226 -9.200 3.751 1.00 21.45 H new ATOM 0 HA ASN A 44 1.350 -8.624 1.009 1.00 1.25 H new ATOM 0 HB2 ASN A 44 3.186 -9.671 2.270 1.00 12.31 H new ATOM 0 HB3 ASN A 44 2.197 -11.074 2.622 1.00 12.31 H new ATOM 0 HD21 ASN A 44 2.747 -12.694 -0.486 1.00 74.44 H new ATOM 0 HD22 ASN A 44 1.811 -12.653 1.012 1.00 74.44 H new ATOM 715 N LYS A 45 -0.774 -10.985 1.804 1.00 62.33 N ATOM 716 CA LYS A 45 -1.777 -11.928 1.292 1.00 25.53 C ATOM 717 C LYS A 45 -2.908 -11.214 0.542 1.00 63.34 C ATOM 718 O LYS A 45 -3.809 -11.861 0.006 1.00 43.32 O ATOM 719 CB LYS A 45 -2.341 -12.783 2.444 1.00 72.01 C ATOM 720 CG LYS A 45 -3.035 -11.982 3.550 1.00 54.11 C ATOM 721 CD LYS A 45 -4.553 -11.914 3.369 1.00 34.21 C ATOM 722 CE LYS A 45 -5.216 -13.279 3.555 1.00 14.13 C ATOM 723 NZ LYS A 45 -6.701 -13.193 3.471 1.00 43.33 N ATOM 0 H LYS A 45 -0.763 -10.897 2.820 1.00 62.33 H new ATOM 0 HA LYS A 45 -1.280 -12.581 0.575 1.00 25.53 H new ATOM 0 HB2 LYS A 45 -3.051 -13.501 2.033 1.00 72.01 H new ATOM 0 HB3 LYS A 45 -1.527 -13.357 2.885 1.00 72.01 H new ATOM 0 HG2 LYS A 45 -2.809 -12.433 4.516 1.00 54.11 H new ATOM 0 HG3 LYS A 45 -2.630 -10.970 3.568 1.00 54.11 H new ATOM 0 HD2 LYS A 45 -4.972 -11.207 4.086 1.00 34.21 H new ATOM 0 HD3 LYS A 45 -4.782 -11.533 2.374 1.00 34.21 H new ATOM 0 HE2 LYS A 45 -4.849 -13.967 2.794 1.00 14.13 H new ATOM 0 HE3 LYS A 45 -4.931 -13.692 4.523 1.00 14.13 H new ATOM 0 HZ1 LYS A 45 -7.112 -14.139 3.602 1.00 43.33 H new ATOM 0 HZ2 LYS A 45 -7.054 -12.556 4.213 1.00 43.33 H new ATOM 0 HZ3 LYS A 45 -6.975 -12.823 2.538 1.00 43.33 H new ATOM 737 N TYR A 46 -2.866 -9.885 0.513 1.00 20.20 N ATOM 738 CA TYR A 46 -3.865 -9.098 -0.210 1.00 64.11 C ATOM 739 C TYR A 46 -3.425 -8.840 -1.653 1.00 45.11 C ATOM 740 O TYR A 46 -4.249 -8.514 -2.507 1.00 4.32 O ATOM 741 CB TYR A 46 -4.124 -7.771 0.514 1.00 3.11 C ATOM 742 CG TYR A 46 -4.899 -7.926 1.811 1.00 74.01 C ATOM 743 CD1 TYR A 46 -6.290 -7.907 1.809 1.00 34.12 C ATOM 744 CD2 TYR A 46 -4.249 -8.089 3.031 1.00 51.15 C ATOM 745 CE1 TYR A 46 -7.007 -8.046 2.979 1.00 41.11 C ATOM 746 CE2 TYR A 46 -4.964 -8.229 4.206 1.00 54.04 C ATOM 747 CZ TYR A 46 -6.345 -8.208 4.174 1.00 2.10 C ATOM 748 OH TYR A 46 -7.065 -8.349 5.338 1.00 65.34 O ATOM 0 H TYR A 46 -2.151 -9.328 0.982 1.00 20.20 H new ATOM 0 HA TYR A 46 -4.792 -9.671 -0.237 1.00 64.11 H new ATOM 0 HB2 TYR A 46 -3.169 -7.291 0.727 1.00 3.11 H new ATOM 0 HB3 TYR A 46 -4.675 -7.106 -0.151 1.00 3.11 H new ATOM 0 HD1 TYR A 46 -6.818 -7.781 0.875 1.00 34.12 H new ATOM 0 HD2 TYR A 46 -3.170 -8.106 3.060 1.00 51.15 H new ATOM 0 HE1 TYR A 46 -8.087 -8.028 2.957 1.00 41.11 H new ATOM 0 HE2 TYR A 46 -4.445 -8.354 5.145 1.00 54.04 H new ATOM 0 HH TYR A 46 -6.449 -8.455 6.093 1.00 65.34 H new ATOM 758 N ASP A 47 -2.117 -8.973 -1.901 1.00 13.01 N ATOM 759 CA ASP A 47 -1.518 -8.740 -3.231 1.00 22.41 C ATOM 760 C ASP A 47 -1.549 -7.247 -3.604 1.00 2.13 C ATOM 761 O ASP A 47 -1.037 -6.843 -4.653 1.00 53.33 O ATOM 762 CB ASP A 47 -2.234 -9.592 -4.306 1.00 72.12 C ATOM 763 CG ASP A 47 -1.619 -9.476 -5.700 1.00 65.00 C ATOM 764 OD1 ASP A 47 -0.537 -10.053 -5.929 1.00 23.21 O ATOM 765 OD2 ASP A 47 -2.231 -8.834 -6.582 1.00 23.41 O ATOM 0 H ASP A 47 -1.439 -9.245 -1.189 1.00 13.01 H new ATOM 0 HA ASP A 47 -0.473 -9.048 -3.188 1.00 22.41 H new ATOM 0 HB2 ASP A 47 -2.216 -10.637 -3.998 1.00 72.12 H new ATOM 0 HB3 ASP A 47 -3.281 -9.292 -4.355 1.00 72.12 H new ATOM 770 N TYR A 48 -2.101 -6.430 -2.708 1.00 51.30 N ATOM 771 CA TYR A 48 -2.178 -4.981 -2.897 1.00 15.30 C ATOM 772 C TYR A 48 -2.086 -4.273 -1.552 1.00 43.35 C ATOM 773 O TYR A 48 -2.853 -4.569 -0.632 1.00 31.42 O ATOM 774 CB TYR A 48 -3.481 -4.578 -3.609 1.00 61.31 C ATOM 775 CG TYR A 48 -3.496 -4.916 -5.086 1.00 2.04 C ATOM 776 CD1 TYR A 48 -2.910 -4.059 -6.012 1.00 11.23 C ATOM 777 CD2 TYR A 48 -4.081 -6.085 -5.553 1.00 13.12 C ATOM 778 CE1 TYR A 48 -2.904 -4.362 -7.358 1.00 72.00 C ATOM 779 CE2 TYR A 48 -4.079 -6.391 -6.898 1.00 1.10 C ATOM 780 CZ TYR A 48 -3.491 -5.527 -7.795 1.00 42.21 C ATOM 781 OH TYR A 48 -3.477 -5.835 -9.135 1.00 50.42 O ATOM 0 H TYR A 48 -2.508 -6.753 -1.830 1.00 51.30 H new ATOM 0 HA TYR A 48 -1.339 -4.680 -3.525 1.00 15.30 H new ATOM 0 HB2 TYR A 48 -4.320 -5.076 -3.123 1.00 61.31 H new ATOM 0 HB3 TYR A 48 -3.634 -3.505 -3.489 1.00 61.31 H new ATOM 0 HD1 TYR A 48 -2.452 -3.142 -5.672 1.00 11.23 H new ATOM 0 HD2 TYR A 48 -4.544 -6.765 -4.853 1.00 13.12 H new ATOM 0 HE1 TYR A 48 -2.441 -3.689 -8.064 1.00 72.00 H new ATOM 0 HE2 TYR A 48 -4.537 -7.305 -7.246 1.00 1.10 H new ATOM 0 HH TYR A 48 -4.100 -6.571 -9.308 1.00 50.42 H new ATOM 791 N ILE A 49 -1.142 -3.346 -1.445 1.00 21.31 N ATOM 792 CA ILE A 49 -0.936 -2.580 -0.222 1.00 71.14 C ATOM 793 C ILE A 49 -1.324 -1.126 -0.457 1.00 51.34 C ATOM 794 O ILE A 49 -0.690 -0.433 -1.257 1.00 3.10 O ATOM 795 CB ILE A 49 0.543 -2.626 0.245 1.00 53.54 C ATOM 796 CG1 ILE A 49 1.058 -4.076 0.312 1.00 71.12 C ATOM 797 CG2 ILE A 49 0.692 -1.936 1.603 1.00 52.42 C ATOM 798 CD1 ILE A 49 0.273 -4.969 1.249 1.00 63.01 C ATOM 0 H ILE A 49 -0.500 -3.105 -2.200 1.00 21.31 H new ATOM 0 HA ILE A 49 -1.559 -3.027 0.553 1.00 71.14 H new ATOM 0 HB ILE A 49 1.149 -2.091 -0.486 1.00 53.54 H new ATOM 0 HG12 ILE A 49 1.032 -4.506 -0.689 1.00 71.12 H new ATOM 0 HG13 ILE A 49 2.101 -4.065 0.627 1.00 71.12 H new ATOM 0 HG21 ILE A 49 1.735 -1.976 1.919 1.00 52.42 H new ATOM 0 HG22 ILE A 49 0.377 -0.896 1.519 1.00 52.42 H new ATOM 0 HG23 ILE A 49 0.070 -2.445 2.340 1.00 52.42 H new ATOM 0 HD11 ILE A 49 0.700 -5.972 1.238 1.00 63.01 H new ATOM 0 HD12 ILE A 49 0.320 -4.566 2.261 1.00 63.01 H new ATOM 0 HD13 ILE A 49 -0.766 -5.013 0.924 1.00 63.01 H new ATOM 810 N VAL A 50 -2.366 -0.670 0.227 1.00 71.54 N ATOM 811 CA VAL A 50 -2.831 0.708 0.102 1.00 61.13 C ATOM 812 C VAL A 50 -2.730 1.422 1.446 1.00 31.32 C ATOM 813 O VAL A 50 -3.433 1.079 2.396 1.00 31.33 O ATOM 814 CB VAL A 50 -4.291 0.782 -0.408 1.00 21.31 C ATOM 815 CG1 VAL A 50 -4.737 2.237 -0.565 1.00 53.21 C ATOM 816 CG2 VAL A 50 -4.443 0.017 -1.723 1.00 34.01 C ATOM 0 H VAL A 50 -2.909 -1.237 0.878 1.00 71.54 H new ATOM 0 HA VAL A 50 -2.190 1.200 -0.630 1.00 61.13 H new ATOM 0 HB VAL A 50 -4.937 0.311 0.333 1.00 21.31 H new ATOM 0 HG11 VAL A 50 -5.766 2.265 -0.924 1.00 53.21 H new ATOM 0 HG12 VAL A 50 -4.675 2.743 0.399 1.00 53.21 H new ATOM 0 HG13 VAL A 50 -4.088 2.741 -1.281 1.00 53.21 H new ATOM 0 HG21 VAL A 50 -5.476 0.081 -2.064 1.00 34.01 H new ATOM 0 HG22 VAL A 50 -3.785 0.452 -2.475 1.00 34.01 H new ATOM 0 HG23 VAL A 50 -4.177 -1.029 -1.569 1.00 34.01 H new ATOM 826 N GLY A 51 -1.840 2.402 1.524 1.00 31.43 N ATOM 827 CA GLY A 51 -1.669 3.165 2.747 1.00 13.44 C ATOM 828 C GLY A 51 -2.056 4.616 2.559 1.00 14.10 C ATOM 829 O GLY A 51 -1.500 5.293 1.692 1.00 4.23 O ATOM 0 H GLY A 51 -1.229 2.684 0.757 1.00 31.43 H new ATOM 0 HA2 GLY A 51 -2.277 2.726 3.538 1.00 13.44 H new ATOM 0 HA3 GLY A 51 -0.630 3.104 3.072 1.00 13.44 H new ATOM 833 N ASP A 52 -3.012 5.087 3.353 1.00 35.44 N ATOM 834 CA ASP A 52 -3.459 6.481 3.296 1.00 25.43 C ATOM 835 C ASP A 52 -3.206 7.161 4.634 1.00 51.23 C ATOM 836 O ASP A 52 -3.332 6.535 5.691 1.00 64.54 O ATOM 837 CB ASP A 52 -4.954 6.572 2.934 1.00 3.02 C ATOM 838 CG ASP A 52 -5.502 8.000 2.997 1.00 43.44 C ATOM 839 OD1 ASP A 52 -4.805 8.940 2.546 1.00 42.33 O ATOM 840 OD2 ASP A 52 -6.632 8.189 3.488 1.00 51.40 O ATOM 0 H ASP A 52 -3.497 4.522 4.050 1.00 35.44 H new ATOM 0 HA ASP A 52 -2.890 6.989 2.517 1.00 25.43 H new ATOM 0 HB2 ASP A 52 -5.103 6.176 1.929 1.00 3.02 H new ATOM 0 HB3 ASP A 52 -5.525 5.940 3.614 1.00 3.02 H new ATOM 845 N TRP A 53 -2.822 8.430 4.582 1.00 63.32 N ATOM 846 CA TRP A 53 -2.590 9.212 5.790 1.00 11.54 C ATOM 847 C TRP A 53 -3.923 9.641 6.399 1.00 4.04 C ATOM 848 O TRP A 53 -4.067 9.717 7.625 1.00 64.21 O ATOM 849 CB TRP A 53 -1.724 10.445 5.481 1.00 14.55 C ATOM 850 CG TRP A 53 -0.331 10.109 5.016 1.00 44.42 C ATOM 851 CD1 TRP A 53 0.031 9.624 3.792 1.00 30.15 C ATOM 852 CD2 TRP A 53 0.885 10.238 5.766 1.00 3.32 C ATOM 853 NE1 TRP A 53 1.390 9.437 3.739 1.00 3.53 N ATOM 854 CE2 TRP A 53 1.937 9.807 4.936 1.00 41.15 C ATOM 855 CE3 TRP A 53 1.184 10.676 7.059 1.00 20.41 C ATOM 856 CZ2 TRP A 53 3.264 9.801 5.357 1.00 33.44 C ATOM 857 CZ3 TRP A 53 2.503 10.668 7.477 1.00 33.24 C ATOM 858 CH2 TRP A 53 3.529 10.233 6.627 1.00 21.25 C ATOM 0 H TRP A 53 -2.664 8.941 3.714 1.00 63.32 H new ATOM 0 HA TRP A 53 -2.056 8.590 6.508 1.00 11.54 H new ATOM 0 HB2 TRP A 53 -2.219 11.042 4.715 1.00 14.55 H new ATOM 0 HB3 TRP A 53 -1.659 11.065 6.375 1.00 14.55 H new ATOM 0 HD1 TRP A 53 -0.653 9.417 2.982 1.00 30.15 H new ATOM 0 HE1 TRP A 53 1.908 9.080 2.936 1.00 3.53 H new ATOM 0 HE3 TRP A 53 0.400 11.015 7.720 1.00 20.41 H new ATOM 0 HZ2 TRP A 53 4.056 9.467 4.703 1.00 33.44 H new ATOM 0 HZ3 TRP A 53 2.746 11.002 8.475 1.00 33.24 H new ATOM 0 HH2 TRP A 53 4.549 10.239 6.982 1.00 21.25 H new ATOM 869 N GLY A 54 -4.902 9.905 5.533 1.00 12.32 N ATOM 870 CA GLY A 54 -6.199 10.381 5.977 1.00 21.43 C ATOM 871 C GLY A 54 -6.093 11.664 6.780 1.00 74.14 C ATOM 872 O GLY A 54 -6.084 12.762 6.221 1.00 61.24 O ATOM 0 H GLY A 54 -4.815 9.795 4.523 1.00 12.32 H new ATOM 0 HA2 GLY A 54 -6.839 10.548 5.111 1.00 21.43 H new ATOM 0 HA3 GLY A 54 -6.678 9.613 6.584 1.00 21.43 H new ATOM 876 N TYR A 55 -5.998 11.517 8.098 1.00 61.14 N ATOM 877 CA TYR A 55 -5.846 12.655 9.003 1.00 44.51 C ATOM 878 C TYR A 55 -4.365 12.904 9.292 1.00 33.51 C ATOM 879 O TYR A 55 -3.947 14.039 9.525 1.00 53.21 O ATOM 880 CB TYR A 55 -6.612 12.398 10.312 1.00 33.12 C ATOM 881 CG TYR A 55 -6.523 13.540 11.313 1.00 54.34 C ATOM 882 CD1 TYR A 55 -7.344 14.659 11.201 1.00 14.11 C ATOM 883 CD2 TYR A 55 -5.617 13.497 12.368 1.00 3.35 C ATOM 884 CE1 TYR A 55 -7.262 15.698 12.109 1.00 35.54 C ATOM 885 CE2 TYR A 55 -5.530 14.532 13.279 1.00 63.23 C ATOM 886 CZ TYR A 55 -6.355 15.630 13.146 1.00 34.41 C ATOM 887 OH TYR A 55 -6.273 16.665 14.055 1.00 31.34 O ATOM 0 H TYR A 55 -6.024 10.612 8.568 1.00 61.14 H new ATOM 0 HA TYR A 55 -6.262 13.543 8.526 1.00 44.51 H new ATOM 0 HB2 TYR A 55 -7.661 12.214 10.078 1.00 33.12 H new ATOM 0 HB3 TYR A 55 -6.225 11.491 10.776 1.00 33.12 H new ATOM 0 HD1 TYR A 55 -8.057 14.716 10.391 1.00 14.11 H new ATOM 0 HD2 TYR A 55 -4.970 12.639 12.477 1.00 3.35 H new ATOM 0 HE1 TYR A 55 -7.905 16.559 12.007 1.00 35.54 H new ATOM 0 HE2 TYR A 55 -4.820 14.482 14.091 1.00 63.23 H new ATOM 0 HH TYR A 55 -5.586 16.460 14.723 1.00 31.34 H new ATOM 897 N GLY A 56 -3.579 11.834 9.258 1.00 41.32 N ATOM 898 CA GLY A 56 -2.158 11.926 9.552 1.00 42.33 C ATOM 899 C GLY A 56 -1.574 10.588 9.957 1.00 71.54 C ATOM 900 O GLY A 56 -0.434 10.269 9.622 1.00 31.25 O ATOM 0 H GLY A 56 -3.904 10.894 9.030 1.00 41.32 H new ATOM 0 HA2 GLY A 56 -1.630 12.301 8.675 1.00 42.33 H new ATOM 0 HA3 GLY A 56 -2.000 12.648 10.353 1.00 42.33 H new ATOM 904 N GLN A 57 -2.361 9.802 10.685 1.00 0.52 N ATOM 905 CA GLN A 57 -1.928 8.481 11.128 1.00 22.33 C ATOM 906 C GLN A 57 -1.923 7.500 9.952 1.00 61.31 C ATOM 907 O GLN A 57 -2.933 6.864 9.652 1.00 13.23 O ATOM 908 CB GLN A 57 -2.822 7.962 12.268 1.00 61.34 C ATOM 909 CG GLN A 57 -2.632 8.695 13.596 1.00 72.51 C ATOM 910 CD GLN A 57 -3.026 10.165 13.553 1.00 45.30 C ATOM 911 OE1 GLN A 57 -2.212 11.035 13.244 1.00 4.22 O ATOM 912 NE2 GLN A 57 -4.278 10.450 13.868 1.00 40.15 N ATOM 0 H GLN A 57 -3.303 10.057 10.981 1.00 0.52 H new ATOM 0 HA GLN A 57 -0.912 8.565 11.512 1.00 22.33 H new ATOM 0 HB2 GLN A 57 -3.865 8.048 11.964 1.00 61.34 H new ATOM 0 HB3 GLN A 57 -2.620 6.902 12.419 1.00 61.34 H new ATOM 0 HG2 GLN A 57 -3.221 8.194 14.364 1.00 72.51 H new ATOM 0 HG3 GLN A 57 -1.587 8.618 13.896 1.00 72.51 H new ATOM 0 HE21 GLN A 57 -4.924 9.701 14.119 1.00 40.15 H new ATOM 0 HE22 GLN A 57 -4.598 11.418 13.860 1.00 40.15 H new ATOM 921 N LEU A 58 -0.778 7.424 9.279 1.00 10.34 N ATOM 922 CA LEU A 58 -0.593 6.553 8.119 1.00 63.23 C ATOM 923 C LEU A 58 -0.804 5.083 8.506 1.00 61.51 C ATOM 924 O LEU A 58 -0.028 4.517 9.281 1.00 64.15 O ATOM 925 CB LEU A 58 0.821 6.787 7.535 1.00 74.52 C ATOM 926 CG LEU A 58 1.172 6.075 6.207 1.00 35.02 C ATOM 927 CD1 LEU A 58 1.514 4.603 6.423 1.00 54.12 C ATOM 928 CD2 LEU A 58 0.040 6.216 5.193 1.00 34.45 C ATOM 0 H LEU A 58 0.051 7.966 9.523 1.00 10.34 H new ATOM 0 HA LEU A 58 -1.334 6.794 7.357 1.00 63.23 H new ATOM 0 HB2 LEU A 58 0.950 7.859 7.386 1.00 74.52 H new ATOM 0 HB3 LEU A 58 1.550 6.479 8.285 1.00 74.52 H new ATOM 0 HG LEU A 58 2.059 6.566 5.807 1.00 35.02 H new ATOM 0 HD11 LEU A 58 1.754 4.141 5.465 1.00 54.12 H new ATOM 0 HD12 LEU A 58 2.372 4.523 7.090 1.00 54.12 H new ATOM 0 HD13 LEU A 58 0.660 4.093 6.868 1.00 54.12 H new ATOM 0 HD21 LEU A 58 0.314 5.706 4.269 1.00 34.45 H new ATOM 0 HD22 LEU A 58 -0.869 5.771 5.598 1.00 34.45 H new ATOM 0 HD23 LEU A 58 -0.134 7.272 4.987 1.00 34.45 H new ATOM 940 N ARG A 59 -1.861 4.479 7.964 1.00 23.13 N ATOM 941 CA ARG A 59 -2.152 3.059 8.179 1.00 22.13 C ATOM 942 C ARG A 59 -2.218 2.327 6.837 1.00 55.34 C ATOM 943 O ARG A 59 -2.689 2.881 5.843 1.00 11.14 O ATOM 944 CB ARG A 59 -3.479 2.874 8.943 1.00 2.35 C ATOM 945 CG ARG A 59 -3.913 1.411 9.070 1.00 13.02 C ATOM 946 CD ARG A 59 -5.287 1.258 9.719 1.00 3.54 C ATOM 947 NE ARG A 59 -5.275 1.568 11.151 1.00 73.11 N ATOM 948 CZ ARG A 59 -6.228 1.183 12.008 1.00 74.45 C ATOM 949 NH1 ARG A 59 -7.268 0.474 11.575 1.00 14.13 N ATOM 950 NH2 ARG A 59 -6.141 1.504 13.294 1.00 14.30 N ATOM 0 H ARG A 59 -2.537 4.955 7.367 1.00 23.13 H new ATOM 0 HA ARG A 59 -1.348 2.636 8.782 1.00 22.13 H new ATOM 0 HB2 ARG A 59 -3.377 3.302 9.940 1.00 2.35 H new ATOM 0 HB3 ARG A 59 -4.263 3.434 8.434 1.00 2.35 H new ATOM 0 HG2 ARG A 59 -3.930 0.954 8.080 1.00 13.02 H new ATOM 0 HG3 ARG A 59 -3.175 0.867 9.659 1.00 13.02 H new ATOM 0 HD2 ARG A 59 -5.997 1.914 9.216 1.00 3.54 H new ATOM 0 HD3 ARG A 59 -5.640 0.237 9.576 1.00 3.54 H new ATOM 0 HE ARG A 59 -4.493 2.110 11.517 1.00 73.11 H new ATOM 0 HH11 ARG A 59 -7.339 0.223 10.589 1.00 14.13 H new ATOM 0 HH12 ARG A 59 -7.994 0.181 12.229 1.00 14.13 H new ATOM 0 HH21 ARG A 59 -5.346 2.046 13.632 1.00 14.30 H new ATOM 0 HH22 ARG A 59 -6.870 1.209 13.944 1.00 14.30 H new ATOM 964 N LEU A 60 -1.733 1.087 6.814 1.00 30.11 N ATOM 965 CA LEU A 60 -1.783 0.251 5.614 1.00 33.44 C ATOM 966 C LEU A 60 -3.023 -0.643 5.636 1.00 4.14 C ATOM 967 O LEU A 60 -3.339 -1.264 6.653 1.00 71.31 O ATOM 968 CB LEU A 60 -0.509 -0.609 5.494 1.00 25.12 C ATOM 969 CG LEU A 60 0.708 0.072 4.832 1.00 64.30 C ATOM 970 CD1 LEU A 60 1.039 1.399 5.505 1.00 75.24 C ATOM 971 CD2 LEU A 60 1.924 -0.855 4.859 1.00 61.22 C ATOM 0 H LEU A 60 -1.298 0.636 7.619 1.00 30.11 H new ATOM 0 HA LEU A 60 -1.840 0.907 4.745 1.00 33.44 H new ATOM 0 HB2 LEU A 60 -0.219 -0.935 6.493 1.00 25.12 H new ATOM 0 HB3 LEU A 60 -0.752 -1.506 4.925 1.00 25.12 H new ATOM 0 HG LEU A 60 0.446 0.279 3.794 1.00 64.30 H new ATOM 0 HD11 LEU A 60 1.901 1.851 5.014 1.00 75.24 H new ATOM 0 HD12 LEU A 60 0.183 2.070 5.427 1.00 75.24 H new ATOM 0 HD13 LEU A 60 1.270 1.226 6.556 1.00 75.24 H new ATOM 0 HD21 LEU A 60 2.772 -0.357 4.388 1.00 61.22 H new ATOM 0 HD22 LEU A 60 2.174 -1.097 5.892 1.00 61.22 H new ATOM 0 HD23 LEU A 60 1.694 -1.772 4.316 1.00 61.22 H new ATOM 983 N LYS A 61 -3.724 -0.692 4.512 1.00 72.40 N ATOM 984 CA LYS A 61 -4.886 -1.552 4.345 1.00 62.50 C ATOM 985 C LYS A 61 -4.749 -2.326 3.037 1.00 0.44 C ATOM 986 O LYS A 61 -4.301 -1.777 2.026 1.00 65.43 O ATOM 987 CB LYS A 61 -6.184 -0.722 4.345 1.00 41.33 C ATOM 988 CG LYS A 61 -7.447 -1.538 4.068 1.00 31.35 C ATOM 989 CD LYS A 61 -7.707 -2.583 5.148 1.00 64.02 C ATOM 990 CE LYS A 61 -8.828 -3.536 4.750 1.00 75.12 C ATOM 991 NZ LYS A 61 -9.125 -4.529 5.816 1.00 40.04 N ATOM 0 H LYS A 61 -3.502 -0.134 3.688 1.00 72.40 H new ATOM 0 HA LYS A 61 -4.937 -2.252 5.179 1.00 62.50 H new ATOM 0 HB2 LYS A 61 -6.287 -0.229 5.312 1.00 41.33 H new ATOM 0 HB3 LYS A 61 -6.100 0.064 3.594 1.00 41.33 H new ATOM 0 HG2 LYS A 61 -8.303 -0.867 4.001 1.00 31.35 H new ATOM 0 HG3 LYS A 61 -7.353 -2.033 3.101 1.00 31.35 H new ATOM 0 HD2 LYS A 61 -6.795 -3.151 5.333 1.00 64.02 H new ATOM 0 HD3 LYS A 61 -7.967 -2.085 6.082 1.00 64.02 H new ATOM 0 HE2 LYS A 61 -9.728 -2.963 4.528 1.00 75.12 H new ATOM 0 HE3 LYS A 61 -8.550 -4.059 3.835 1.00 75.12 H new ATOM 0 HZ1 LYS A 61 -9.893 -5.156 5.502 1.00 40.04 H new ATOM 0 HZ2 LYS A 61 -8.274 -5.094 6.011 1.00 40.04 H new ATOM 0 HZ3 LYS A 61 -9.416 -4.032 6.682 1.00 40.04 H new ATOM 1005 N GLY A 62 -5.106 -3.600 3.066 1.00 32.32 N ATOM 1006 CA GLY A 62 -5.014 -4.426 1.881 1.00 61.52 C ATOM 1007 C GLY A 62 -6.323 -4.487 1.120 1.00 32.22 C ATOM 1008 O GLY A 62 -7.400 -4.436 1.720 1.00 42.43 O ATOM 0 H GLY A 62 -5.460 -4.079 3.894 1.00 32.32 H new ATOM 0 HA2 GLY A 62 -4.234 -4.035 1.228 1.00 61.52 H new ATOM 0 HA3 GLY A 62 -4.715 -5.435 2.166 1.00 61.52 H new ATOM 1012 N PHE A 63 -6.225 -4.597 -0.201 1.00 32.12 N ATOM 1013 CA PHE A 63 -7.390 -4.719 -1.075 1.00 45.13 C ATOM 1014 C PHE A 63 -7.114 -5.757 -2.156 1.00 11.23 C ATOM 1015 O PHE A 63 -5.971 -6.167 -2.353 1.00 75.34 O ATOM 1016 CB PHE A 63 -7.739 -3.370 -1.727 1.00 60.40 C ATOM 1017 CG PHE A 63 -8.205 -2.315 -0.754 1.00 11.21 C ATOM 1018 CD1 PHE A 63 -9.548 -2.210 -0.416 1.00 73.33 C ATOM 1019 CD2 PHE A 63 -7.303 -1.431 -0.184 1.00 22.23 C ATOM 1020 CE1 PHE A 63 -9.978 -1.242 0.472 1.00 11.53 C ATOM 1021 CE2 PHE A 63 -7.729 -0.463 0.704 1.00 12.22 C ATOM 1022 CZ PHE A 63 -9.066 -0.369 1.032 1.00 64.45 C ATOM 0 H PHE A 63 -5.334 -4.604 -0.698 1.00 32.12 H new ATOM 0 HA PHE A 63 -8.240 -5.035 -0.470 1.00 45.13 H new ATOM 0 HB2 PHE A 63 -6.862 -2.998 -2.257 1.00 60.40 H new ATOM 0 HB3 PHE A 63 -8.518 -3.530 -2.473 1.00 60.40 H new ATOM 0 HD1 PHE A 63 -10.264 -2.892 -0.851 1.00 73.33 H new ATOM 0 HD2 PHE A 63 -6.255 -1.500 -0.437 1.00 22.23 H new ATOM 0 HE1 PHE A 63 -11.025 -1.168 0.727 1.00 11.53 H new ATOM 0 HE2 PHE A 63 -7.016 0.220 1.142 1.00 12.22 H new ATOM 0 HZ PHE A 63 -9.399 0.388 1.727 1.00 64.45 H new ATOM 1032 N PHE A 64 -8.166 -6.177 -2.844 1.00 22.34 N ATOM 1033 CA PHE A 64 -8.048 -7.144 -3.932 1.00 32.24 C ATOM 1034 C PHE A 64 -8.457 -6.494 -5.250 1.00 65.43 C ATOM 1035 O PHE A 64 -9.349 -5.637 -5.273 1.00 33.51 O ATOM 1036 CB PHE A 64 -8.920 -8.376 -3.653 1.00 41.13 C ATOM 1037 CG PHE A 64 -8.592 -9.065 -2.353 1.00 3.35 C ATOM 1038 CD1 PHE A 64 -7.502 -9.920 -2.254 1.00 43.33 C ATOM 1039 CD2 PHE A 64 -9.372 -8.855 -1.225 1.00 70.05 C ATOM 1040 CE1 PHE A 64 -7.201 -10.550 -1.061 1.00 10.41 C ATOM 1041 CE2 PHE A 64 -9.076 -9.483 -0.032 1.00 71.14 C ATOM 1042 CZ PHE A 64 -7.989 -10.332 0.049 1.00 24.54 C ATOM 0 H PHE A 64 -9.120 -5.861 -2.668 1.00 22.34 H new ATOM 0 HA PHE A 64 -7.010 -7.467 -4.003 1.00 32.24 H new ATOM 0 HB2 PHE A 64 -9.967 -8.074 -3.641 1.00 41.13 H new ATOM 0 HB3 PHE A 64 -8.803 -9.087 -4.471 1.00 41.13 H new ATOM 0 HD1 PHE A 64 -6.881 -10.095 -3.120 1.00 43.33 H new ATOM 0 HD2 PHE A 64 -10.222 -8.191 -1.281 1.00 70.05 H new ATOM 0 HE1 PHE A 64 -6.350 -11.212 -0.999 1.00 10.41 H new ATOM 0 HE2 PHE A 64 -9.693 -9.311 0.837 1.00 71.14 H new ATOM 0 HZ PHE A 64 -7.757 -10.825 0.982 1.00 24.54 H new ATOM 1052 N ASP A 65 -7.810 -6.899 -6.339 1.00 2.32 N ATOM 1053 CA ASP A 65 -8.083 -6.330 -7.661 1.00 31.31 C ATOM 1054 C ASP A 65 -9.481 -6.702 -8.144 1.00 61.42 C ATOM 1055 O ASP A 65 -9.819 -7.882 -8.262 1.00 73.33 O ATOM 1056 CB ASP A 65 -7.025 -6.788 -8.682 1.00 65.54 C ATOM 1057 CG ASP A 65 -6.859 -8.302 -8.741 1.00 10.12 C ATOM 1058 OD1 ASP A 65 -6.104 -8.850 -7.912 1.00 25.42 O ATOM 1059 OD2 ASP A 65 -7.469 -8.951 -9.616 1.00 50.02 O ATOM 0 H ASP A 65 -7.090 -7.621 -6.335 1.00 2.32 H new ATOM 0 HA ASP A 65 -8.033 -5.245 -7.571 1.00 31.31 H new ATOM 0 HB2 ASP A 65 -7.301 -6.421 -9.670 1.00 65.54 H new ATOM 0 HB3 ASP A 65 -6.067 -6.334 -8.430 1.00 65.54 H new ATOM 1064 N ASP A 66 -10.303 -5.684 -8.393 1.00 42.32 N ATOM 1065 CA ASP A 66 -11.641 -5.883 -8.953 1.00 5.43 C ATOM 1066 C ASP A 66 -11.553 -5.971 -10.470 1.00 54.03 C ATOM 1067 O ASP A 66 -12.087 -6.896 -11.091 1.00 44.14 O ATOM 1068 CB ASP A 66 -12.586 -4.734 -8.564 1.00 51.25 C ATOM 1069 CG ASP A 66 -12.798 -4.612 -7.064 1.00 64.51 C ATOM 1070 OD1 ASP A 66 -13.475 -5.483 -6.476 1.00 23.42 O ATOM 1071 OD2 ASP A 66 -12.302 -3.632 -6.468 1.00 24.02 O ATOM 0 H ASP A 66 -10.065 -4.708 -8.215 1.00 42.32 H new ATOM 0 HA ASP A 66 -12.043 -6.811 -8.547 1.00 5.43 H new ATOM 0 HB2 ASP A 66 -12.182 -3.796 -8.944 1.00 51.25 H new ATOM 0 HB3 ASP A 66 -13.550 -4.886 -9.049 1.00 51.25 H new ATOM 1076 N GLN A 67 -10.860 -5.003 -11.057 1.00 4.44 N ATOM 1077 CA GLN A 67 -10.714 -4.923 -12.502 1.00 13.22 C ATOM 1078 C GLN A 67 -9.599 -5.846 -12.984 1.00 11.12 C ATOM 1079 O GLN A 67 -8.426 -5.465 -13.011 1.00 35.14 O ATOM 1080 CB GLN A 67 -10.440 -3.471 -12.934 1.00 20.41 C ATOM 1081 CG GLN A 67 -11.579 -2.505 -12.614 1.00 72.14 C ATOM 1082 CD GLN A 67 -12.802 -2.705 -13.498 1.00 22.53 C ATOM 1083 OE1 GLN A 67 -13.082 -3.808 -13.967 1.00 13.21 O ATOM 1084 NE2 GLN A 67 -13.539 -1.633 -13.734 1.00 15.15 N ATOM 0 H GLN A 67 -10.387 -4.257 -10.547 1.00 4.44 H new ATOM 0 HA GLN A 67 -11.647 -5.250 -12.960 1.00 13.22 H new ATOM 0 HB2 GLN A 67 -9.532 -3.122 -12.443 1.00 20.41 H new ATOM 0 HB3 GLN A 67 -10.250 -3.451 -14.007 1.00 20.41 H new ATOM 0 HG2 GLN A 67 -11.869 -2.628 -11.571 1.00 72.14 H new ATOM 0 HG3 GLN A 67 -11.221 -1.482 -12.726 1.00 72.14 H new ATOM 0 HE21 GLN A 67 -13.277 -0.735 -13.329 1.00 15.15 H new ATOM 0 HE22 GLN A 67 -14.370 -1.704 -14.321 1.00 15.15 H new ATOM 1093 N ASN A 68 -9.977 -7.071 -13.328 1.00 72.31 N ATOM 1094 CA ASN A 68 -9.067 -8.034 -13.940 1.00 32.44 C ATOM 1095 C ASN A 68 -9.858 -8.904 -14.908 1.00 61.11 C ATOM 1096 O ASN A 68 -11.058 -9.121 -14.699 1.00 64.24 O ATOM 1097 CB ASN A 68 -8.379 -8.906 -12.880 1.00 1.10 C ATOM 1098 CG ASN A 68 -7.315 -9.818 -13.476 1.00 43.13 C ATOM 1099 OD1 ASN A 68 -6.660 -9.471 -14.464 1.00 73.22 O ATOM 1100 ND2 ASN A 68 -7.141 -10.994 -12.893 1.00 74.12 N ATOM 0 H ASN A 68 -10.923 -7.426 -13.191 1.00 72.31 H new ATOM 0 HA ASN A 68 -8.285 -7.494 -14.474 1.00 32.44 H new ATOM 0 HB2 ASN A 68 -7.922 -8.264 -12.127 1.00 1.10 H new ATOM 0 HB3 ASN A 68 -9.128 -9.512 -12.370 1.00 1.10 H new ATOM 0 HD21 ASN A 68 -6.448 -11.647 -13.259 1.00 74.12 H new ATOM 0 HD22 ASN A 68 -7.700 -11.247 -12.078 1.00 74.12 H new ATOM 1107 N GLN A 69 -9.193 -9.390 -15.959 1.00 54.34 N ATOM 1108 CA GLN A 69 -9.861 -10.120 -17.040 1.00 14.42 C ATOM 1109 C GLN A 69 -10.803 -9.179 -17.799 1.00 51.54 C ATOM 1110 O GLN A 69 -11.869 -8.813 -17.299 1.00 50.02 O ATOM 1111 CB GLN A 69 -10.613 -11.348 -16.494 1.00 41.40 C ATOM 1112 CG GLN A 69 -11.455 -12.080 -17.534 1.00 34.35 C ATOM 1113 CD GLN A 69 -12.086 -13.344 -16.979 1.00 34.01 C ATOM 1114 OE1 GLN A 69 -11.522 -14.434 -17.087 1.00 72.23 O ATOM 1115 NE2 GLN A 69 -13.248 -13.205 -16.356 1.00 34.42 N ATOM 0 H GLN A 69 -8.186 -9.290 -16.085 1.00 54.34 H new ATOM 0 HA GLN A 69 -9.107 -10.487 -17.736 1.00 14.42 H new ATOM 0 HB2 GLN A 69 -9.889 -12.046 -16.073 1.00 41.40 H new ATOM 0 HB3 GLN A 69 -11.261 -11.030 -15.677 1.00 41.40 H new ATOM 0 HG2 GLN A 69 -12.238 -11.415 -17.897 1.00 34.35 H new ATOM 0 HG3 GLN A 69 -10.830 -12.334 -18.390 1.00 34.35 H new ATOM 0 HE21 GLN A 69 -13.683 -12.285 -16.288 1.00 34.42 H new ATOM 0 HE22 GLN A 69 -13.707 -14.018 -15.945 1.00 34.42 H new ATOM 1124 N LYS A 70 -10.383 -8.779 -19.003 1.00 23.35 N ATOM 1125 CA LYS A 70 -11.086 -7.759 -19.785 1.00 51.11 C ATOM 1126 C LYS A 70 -11.153 -6.457 -18.977 1.00 60.33 C ATOM 1127 O LYS A 70 -12.095 -5.667 -19.092 1.00 34.22 O ATOM 1128 CB LYS A 70 -12.496 -8.239 -20.180 1.00 32.23 C ATOM 1129 CG LYS A 70 -13.189 -7.337 -21.203 1.00 12.42 C ATOM 1130 CD LYS A 70 -14.610 -7.797 -21.510 1.00 11.10 C ATOM 1131 CE LYS A 70 -15.298 -6.863 -22.500 1.00 32.35 C ATOM 1132 NZ LYS A 70 -16.705 -7.266 -22.771 1.00 32.21 N ATOM 0 H LYS A 70 -9.551 -9.151 -19.461 1.00 23.35 H new ATOM 0 HA LYS A 70 -10.536 -7.577 -20.708 1.00 51.11 H new ATOM 0 HB2 LYS A 70 -12.426 -9.248 -20.587 1.00 32.23 H new ATOM 0 HB3 LYS A 70 -13.114 -8.299 -19.284 1.00 32.23 H new ATOM 0 HG2 LYS A 70 -13.214 -6.315 -20.825 1.00 12.42 H new ATOM 0 HG3 LYS A 70 -12.607 -7.322 -22.125 1.00 12.42 H new ATOM 0 HD2 LYS A 70 -14.586 -8.808 -21.918 1.00 11.10 H new ATOM 0 HD3 LYS A 70 -15.187 -7.839 -20.586 1.00 11.10 H new ATOM 0 HE2 LYS A 70 -15.283 -5.846 -22.108 1.00 32.35 H new ATOM 0 HE3 LYS A 70 -14.739 -6.852 -23.435 1.00 32.35 H new ATOM 0 HZ1 LYS A 70 -17.132 -6.603 -23.449 1.00 32.21 H new ATOM 0 HZ2 LYS A 70 -16.720 -8.226 -23.170 1.00 32.21 H new ATOM 0 HZ3 LYS A 70 -17.247 -7.251 -21.884 1.00 32.21 H new ATOM 1146 N ALA A 71 -10.127 -6.245 -18.161 1.00 60.32 N ATOM 1147 CA ALA A 71 -10.064 -5.093 -17.272 1.00 74.45 C ATOM 1148 C ALA A 71 -9.935 -3.792 -18.056 1.00 1.23 C ATOM 1149 O ALA A 71 -9.329 -3.759 -19.130 1.00 1.04 O ATOM 1150 CB ALA A 71 -8.890 -5.238 -16.311 1.00 71.42 C ATOM 0 H ALA A 71 -9.319 -6.864 -18.098 1.00 60.32 H new ATOM 0 HA ALA A 71 -10.995 -5.056 -16.706 1.00 74.45 H new ATOM 0 HB1 ALA A 71 -8.851 -4.372 -15.650 1.00 71.42 H new ATOM 0 HB2 ALA A 71 -9.016 -6.143 -15.716 1.00 71.42 H new ATOM 0 HB3 ALA A 71 -7.961 -5.303 -16.878 1.00 71.42 H new ATOM 1156 N THR A 72 -10.522 -2.726 -17.525 1.00 72.42 N ATOM 1157 CA THR A 72 -10.328 -1.394 -18.081 1.00 42.34 C ATOM 1158 C THR A 72 -8.858 -0.987 -17.944 1.00 71.04 C ATOM 1159 O THR A 72 -8.324 -0.245 -18.771 1.00 70.40 O ATOM 1160 CB THR A 72 -11.240 -0.351 -17.387 1.00 64.32 C ATOM 1161 OG1 THR A 72 -10.960 0.965 -17.889 1.00 3.03 O ATOM 1162 CG2 THR A 72 -11.064 -0.372 -15.868 1.00 62.55 C ATOM 0 H THR A 72 -11.136 -2.759 -16.711 1.00 72.42 H new ATOM 0 HA THR A 72 -10.601 -1.422 -19.136 1.00 42.34 H new ATOM 0 HB THR A 72 -12.273 -0.615 -17.612 1.00 64.32 H new ATOM 0 HG1 THR A 72 -11.543 1.615 -17.445 1.00 3.03 H new ATOM 0 HG21 THR A 72 -11.719 0.372 -15.415 1.00 62.55 H new ATOM 0 HG22 THR A 72 -11.319 -1.360 -15.486 1.00 62.55 H new ATOM 0 HG23 THR A 72 -10.028 -0.143 -15.619 1.00 62.55 H new ATOM 1170 N PHE A 73 -8.218 -1.505 -16.899 1.00 32.24 N ATOM 1171 CA PHE A 73 -6.801 -1.283 -16.647 1.00 21.21 C ATOM 1172 C PHE A 73 -6.356 -2.187 -15.499 1.00 4.34 C ATOM 1173 O PHE A 73 -7.119 -2.412 -14.556 1.00 24.23 O ATOM 1174 CB PHE A 73 -6.532 0.196 -16.312 1.00 40.14 C ATOM 1175 CG PHE A 73 -5.072 0.527 -16.114 1.00 71.23 C ATOM 1176 CD1 PHE A 73 -4.169 0.393 -17.162 1.00 60.52 C ATOM 1177 CD2 PHE A 73 -4.604 0.978 -14.887 1.00 52.33 C ATOM 1178 CE1 PHE A 73 -2.831 0.696 -16.986 1.00 54.12 C ATOM 1179 CE2 PHE A 73 -3.268 1.281 -14.708 1.00 54.40 C ATOM 1180 CZ PHE A 73 -2.381 1.139 -15.758 1.00 10.14 C ATOM 0 H PHE A 73 -8.672 -2.093 -16.201 1.00 32.24 H new ATOM 0 HA PHE A 73 -6.230 -1.526 -17.543 1.00 21.21 H new ATOM 0 HB2 PHE A 73 -6.929 0.817 -17.115 1.00 40.14 H new ATOM 0 HB3 PHE A 73 -7.079 0.458 -15.406 1.00 40.14 H new ATOM 0 HD1 PHE A 73 -4.516 0.048 -18.125 1.00 60.52 H new ATOM 0 HD2 PHE A 73 -5.292 1.093 -14.063 1.00 52.33 H new ATOM 0 HE1 PHE A 73 -2.139 0.586 -17.808 1.00 54.12 H new ATOM 0 HE2 PHE A 73 -2.917 1.629 -13.748 1.00 54.40 H new ATOM 0 HZ PHE A 73 -1.336 1.374 -15.618 1.00 10.14 H new ATOM 1190 N GLU A 74 -5.143 -2.729 -15.594 1.00 21.23 N ATOM 1191 CA GLU A 74 -4.608 -3.602 -14.550 1.00 0.13 C ATOM 1192 C GLU A 74 -4.360 -2.802 -13.266 1.00 70.32 C ATOM 1193 O GLU A 74 -4.266 -1.577 -13.304 1.00 2.54 O ATOM 1194 CB GLU A 74 -3.313 -4.277 -15.035 1.00 64.24 C ATOM 1195 CG GLU A 74 -2.719 -5.269 -14.035 1.00 12.15 C ATOM 1196 CD GLU A 74 -1.534 -6.051 -14.589 1.00 41.45 C ATOM 1197 OE1 GLU A 74 -0.462 -5.445 -14.809 1.00 61.43 O ATOM 1198 OE2 GLU A 74 -1.666 -7.280 -14.785 1.00 44.43 O ATOM 0 H GLU A 74 -4.513 -2.579 -16.382 1.00 21.23 H new ATOM 0 HA GLU A 74 -5.338 -4.381 -14.331 1.00 0.13 H new ATOM 0 HB2 GLU A 74 -3.515 -4.797 -15.971 1.00 64.24 H new ATOM 0 HB3 GLU A 74 -2.573 -3.507 -15.251 1.00 64.24 H new ATOM 0 HG2 GLU A 74 -2.403 -4.729 -13.143 1.00 12.15 H new ATOM 0 HG3 GLU A 74 -3.494 -5.970 -13.725 1.00 12.15 H new ATOM 1205 N THR A 75 -4.291 -3.511 -12.136 1.00 14.31 N ATOM 1206 CA THR A 75 -4.066 -2.914 -10.812 1.00 31.53 C ATOM 1207 C THR A 75 -5.124 -1.856 -10.465 1.00 51.41 C ATOM 1208 O THR A 75 -4.906 -1.007 -9.598 1.00 61.31 O ATOM 1209 CB THR A 75 -2.633 -2.312 -10.664 1.00 64.24 C ATOM 1210 OG1 THR A 75 -2.382 -1.296 -11.648 1.00 3.11 O ATOM 1211 CG2 THR A 75 -1.572 -3.397 -10.788 1.00 61.20 C ATOM 0 H THR A 75 -4.390 -4.526 -12.112 1.00 14.31 H new ATOM 0 HA THR A 75 -4.159 -3.734 -10.100 1.00 31.53 H new ATOM 0 HB THR A 75 -2.580 -1.862 -9.673 1.00 64.24 H new ATOM 0 HG1 THR A 75 -3.222 -1.056 -12.092 1.00 3.11 H new ATOM 0 HG21 THR A 75 -0.583 -2.952 -10.681 1.00 61.20 H new ATOM 0 HG22 THR A 75 -1.721 -4.142 -10.007 1.00 61.20 H new ATOM 0 HG23 THR A 75 -1.652 -3.874 -11.765 1.00 61.20 H new ATOM 1219 N LYS A 76 -6.279 -1.930 -11.126 1.00 54.31 N ATOM 1220 CA LYS A 76 -7.387 -1.016 -10.860 1.00 23.13 C ATOM 1221 C LYS A 76 -8.380 -1.665 -9.892 1.00 44.15 C ATOM 1222 O LYS A 76 -8.973 -2.705 -10.192 1.00 73.22 O ATOM 1223 CB LYS A 76 -8.088 -0.633 -12.173 1.00 2.22 C ATOM 1224 CG LYS A 76 -9.245 0.350 -12.004 1.00 31.35 C ATOM 1225 CD LYS A 76 -8.786 1.683 -11.412 1.00 60.24 C ATOM 1226 CE LYS A 76 -9.958 2.633 -11.195 1.00 50.45 C ATOM 1227 NZ LYS A 76 -9.523 3.929 -10.614 1.00 70.13 N ATOM 0 H LYS A 76 -6.471 -2.618 -11.854 1.00 54.31 H new ATOM 0 HA LYS A 76 -6.994 -0.108 -10.402 1.00 23.13 H new ATOM 0 HB2 LYS A 76 -7.353 -0.198 -12.850 1.00 2.22 H new ATOM 0 HB3 LYS A 76 -8.463 -1.539 -12.649 1.00 2.22 H new ATOM 0 HG2 LYS A 76 -9.715 0.526 -12.972 1.00 31.35 H new ATOM 0 HG3 LYS A 76 -10.003 -0.091 -11.357 1.00 31.35 H new ATOM 0 HD2 LYS A 76 -8.280 1.505 -10.463 1.00 60.24 H new ATOM 0 HD3 LYS A 76 -8.059 2.147 -12.079 1.00 60.24 H new ATOM 0 HE2 LYS A 76 -10.460 2.812 -12.146 1.00 50.45 H new ATOM 0 HE3 LYS A 76 -10.686 2.165 -10.533 1.00 50.45 H new ATOM 0 HZ1 LYS A 76 -10.350 4.546 -10.482 1.00 70.13 H new ATOM 0 HZ2 LYS A 76 -9.066 3.762 -9.695 1.00 70.13 H new ATOM 0 HZ3 LYS A 76 -8.847 4.389 -11.257 1.00 70.13 H new ATOM 1241 N ILE A 77 -8.543 -1.054 -8.723 1.00 42.03 N ATOM 1242 CA ILE A 77 -9.442 -1.572 -7.693 1.00 53.20 C ATOM 1243 C ILE A 77 -10.651 -0.644 -7.539 1.00 74.34 C ATOM 1244 O ILE A 77 -10.496 0.543 -7.237 1.00 33.14 O ATOM 1245 CB ILE A 77 -8.703 -1.705 -6.334 1.00 34.10 C ATOM 1246 CG1 ILE A 77 -7.433 -2.565 -6.494 1.00 51.51 C ATOM 1247 CG2 ILE A 77 -9.626 -2.303 -5.274 1.00 34.24 C ATOM 1248 CD1 ILE A 77 -6.599 -2.676 -5.233 1.00 24.23 C ATOM 0 H ILE A 77 -8.061 -0.193 -8.462 1.00 42.03 H new ATOM 0 HA ILE A 77 -9.783 -2.561 -8.000 1.00 53.20 H new ATOM 0 HB ILE A 77 -8.407 -0.709 -6.005 1.00 34.10 H new ATOM 0 HG12 ILE A 77 -7.723 -3.566 -6.815 1.00 51.51 H new ATOM 0 HG13 ILE A 77 -6.818 -2.141 -7.288 1.00 51.51 H new ATOM 0 HG21 ILE A 77 -9.089 -2.388 -4.329 1.00 34.24 H new ATOM 0 HG22 ILE A 77 -10.494 -1.657 -5.141 1.00 34.24 H new ATOM 0 HG23 ILE A 77 -9.955 -3.292 -5.594 1.00 34.24 H new ATOM 0 HD11 ILE A 77 -5.725 -3.297 -5.429 1.00 24.23 H new ATOM 0 HD12 ILE A 77 -6.277 -1.682 -4.921 1.00 24.23 H new ATOM 0 HD13 ILE A 77 -7.195 -3.129 -4.441 1.00 24.23 H new ATOM 1260 N SER A 78 -11.847 -1.189 -7.742 1.00 65.35 N ATOM 1261 CA SER A 78 -13.078 -0.406 -7.716 1.00 12.15 C ATOM 1262 C SER A 78 -13.518 -0.120 -6.281 1.00 13.24 C ATOM 1263 O SER A 78 -13.918 1.003 -5.957 1.00 53.41 O ATOM 1264 CB SER A 78 -14.179 -1.150 -8.477 1.00 13.04 C ATOM 1265 OG SER A 78 -13.789 -1.395 -9.820 1.00 12.31 O ATOM 0 H SER A 78 -11.990 -2.182 -7.928 1.00 65.35 H new ATOM 0 HA SER A 78 -12.891 0.551 -8.202 1.00 12.15 H new ATOM 0 HB2 SER A 78 -14.396 -2.095 -7.979 1.00 13.04 H new ATOM 0 HB3 SER A 78 -15.097 -0.563 -8.462 1.00 13.04 H new ATOM 0 HG SER A 78 -14.506 -1.873 -10.287 1.00 12.31 H new ATOM 1271 N THR A 79 -13.426 -1.130 -5.418 1.00 63.41 N ATOM 1272 CA THR A 79 -13.837 -0.982 -4.025 1.00 21.23 C ATOM 1273 C THR A 79 -12.912 -0.003 -3.293 1.00 45.44 C ATOM 1274 O THR A 79 -13.244 0.503 -2.215 1.00 11.31 O ATOM 1275 CB THR A 79 -13.862 -2.346 -3.287 1.00 71.54 C ATOM 1276 OG1 THR A 79 -14.467 -2.196 -1.994 1.00 63.25 O ATOM 1277 CG2 THR A 79 -12.460 -2.928 -3.127 1.00 30.53 C ATOM 0 H THR A 79 -13.072 -2.056 -5.658 1.00 63.41 H new ATOM 0 HA THR A 79 -14.851 -0.583 -4.024 1.00 21.23 H new ATOM 0 HB THR A 79 -14.449 -3.036 -3.893 1.00 71.54 H new ATOM 0 HG1 THR A 79 -15.284 -1.660 -2.075 1.00 63.25 H new ATOM 0 HG21 THR A 79 -12.520 -3.883 -2.605 1.00 30.53 H new ATOM 0 HG22 THR A 79 -12.014 -3.079 -4.110 1.00 30.53 H new ATOM 0 HG23 THR A 79 -11.843 -2.238 -2.551 1.00 30.53 H new ATOM 1285 N LEU A 80 -11.758 0.268 -3.902 1.00 13.02 N ATOM 1286 CA LEU A 80 -10.791 1.211 -3.353 1.00 31.21 C ATOM 1287 C LEU A 80 -11.364 2.628 -3.367 1.00 21.30 C ATOM 1288 O LEU A 80 -11.215 3.370 -2.396 1.00 54.43 O ATOM 1289 CB LEU A 80 -9.480 1.153 -4.154 1.00 65.34 C ATOM 1290 CG LEU A 80 -8.366 2.110 -3.694 1.00 50.21 C ATOM 1291 CD1 LEU A 80 -8.069 1.922 -2.210 1.00 11.51 C ATOM 1292 CD2 LEU A 80 -7.100 1.897 -4.526 1.00 30.11 C ATOM 0 H LEU A 80 -11.471 -0.158 -4.783 1.00 13.02 H new ATOM 0 HA LEU A 80 -10.580 0.935 -2.320 1.00 31.21 H new ATOM 0 HB2 LEU A 80 -9.096 0.134 -4.112 1.00 65.34 H new ATOM 0 HB3 LEU A 80 -9.706 1.366 -5.199 1.00 65.34 H new ATOM 0 HG LEU A 80 -8.711 3.133 -3.845 1.00 50.21 H new ATOM 0 HD11 LEU A 80 -7.279 2.609 -1.907 1.00 11.51 H new ATOM 0 HD12 LEU A 80 -8.969 2.126 -1.630 1.00 11.51 H new ATOM 0 HD13 LEU A 80 -7.747 0.896 -2.031 1.00 11.51 H new ATOM 0 HD21 LEU A 80 -6.323 2.582 -4.187 1.00 30.11 H new ATOM 0 HD22 LEU A 80 -6.755 0.870 -4.408 1.00 30.11 H new ATOM 0 HD23 LEU A 80 -7.319 2.088 -5.577 1.00 30.11 H new ATOM 1304 N ASP A 81 -12.039 2.982 -4.464 1.00 74.11 N ATOM 1305 CA ASP A 81 -12.637 4.312 -4.610 1.00 13.11 C ATOM 1306 C ASP A 81 -13.614 4.592 -3.473 1.00 24.31 C ATOM 1307 O ASP A 81 -13.660 5.704 -2.940 1.00 20.12 O ATOM 1308 CB ASP A 81 -13.358 4.443 -5.961 1.00 2.15 C ATOM 1309 CG ASP A 81 -14.065 5.786 -6.116 1.00 12.32 C ATOM 1310 OD1 ASP A 81 -13.396 6.787 -6.455 1.00 21.03 O ATOM 1311 OD2 ASP A 81 -15.295 5.849 -5.903 1.00 71.52 O ATOM 0 H ASP A 81 -12.185 2.366 -5.264 1.00 74.11 H new ATOM 0 HA ASP A 81 -11.831 5.045 -4.571 1.00 13.11 H new ATOM 0 HB2 ASP A 81 -12.636 4.320 -6.768 1.00 2.15 H new ATOM 0 HB3 ASP A 81 -14.087 3.638 -6.060 1.00 2.15 H new ATOM 1316 N GLU A 82 -14.376 3.563 -3.098 1.00 51.32 N ATOM 1317 CA GLU A 82 -15.334 3.667 -2.000 1.00 44.41 C ATOM 1318 C GLU A 82 -14.608 4.014 -0.706 1.00 12.34 C ATOM 1319 O GLU A 82 -14.970 4.960 -0.005 1.00 43.00 O ATOM 1320 CB GLU A 82 -16.088 2.342 -1.818 1.00 60.51 C ATOM 1321 CG GLU A 82 -16.741 1.804 -3.084 1.00 72.22 C ATOM 1322 CD GLU A 82 -17.486 0.504 -2.830 1.00 75.55 C ATOM 1323 OE1 GLU A 82 -16.828 -0.528 -2.580 1.00 62.22 O ATOM 1324 OE2 GLU A 82 -18.736 0.510 -2.849 1.00 75.54 O ATOM 0 H GLU A 82 -14.347 2.645 -3.542 1.00 51.32 H new ATOM 0 HA GLU A 82 -16.048 4.454 -2.241 1.00 44.41 H new ATOM 0 HB2 GLU A 82 -15.393 1.593 -1.437 1.00 60.51 H new ATOM 0 HB3 GLU A 82 -16.857 2.479 -1.058 1.00 60.51 H new ATOM 0 HG2 GLU A 82 -17.433 2.548 -3.479 1.00 72.22 H new ATOM 0 HG3 GLU A 82 -15.978 1.642 -3.845 1.00 72.22 H new ATOM 1331 N TYR A 83 -13.555 3.250 -0.420 1.00 12.42 N ATOM 1332 CA TYR A 83 -12.771 3.431 0.798 1.00 12.41 C ATOM 1333 C TYR A 83 -12.200 4.846 0.855 1.00 64.02 C ATOM 1334 O TYR A 83 -12.329 5.541 1.864 1.00 21.12 O ATOM 1335 CB TYR A 83 -11.638 2.394 0.850 1.00 51.24 C ATOM 1336 CG TYR A 83 -10.755 2.493 2.082 1.00 10.41 C ATOM 1337 CD1 TYR A 83 -11.141 1.918 3.288 1.00 60.33 C ATOM 1338 CD2 TYR A 83 -9.530 3.156 2.034 1.00 75.53 C ATOM 1339 CE1 TYR A 83 -10.335 2.000 4.406 1.00 1.41 C ATOM 1340 CE2 TYR A 83 -8.722 3.242 3.150 1.00 73.15 C ATOM 1341 CZ TYR A 83 -9.128 2.662 4.333 1.00 53.11 C ATOM 1342 OH TYR A 83 -8.322 2.750 5.446 1.00 1.10 O ATOM 0 H TYR A 83 -13.224 2.495 -1.021 1.00 12.42 H new ATOM 0 HA TYR A 83 -13.420 3.286 1.661 1.00 12.41 H new ATOM 0 HB2 TYR A 83 -12.073 1.396 0.809 1.00 51.24 H new ATOM 0 HB3 TYR A 83 -11.016 2.508 -0.038 1.00 51.24 H new ATOM 0 HD1 TYR A 83 -12.086 1.399 3.351 1.00 60.33 H new ATOM 0 HD2 TYR A 83 -9.208 3.610 1.109 1.00 75.53 H new ATOM 0 HE1 TYR A 83 -10.649 1.547 5.335 1.00 1.41 H new ATOM 0 HE2 TYR A 83 -7.776 3.761 3.097 1.00 73.15 H new ATOM 0 HH TYR A 83 -7.508 3.248 5.222 1.00 1.10 H new ATOM 1352 N ILE A 84 -11.585 5.269 -0.244 1.00 50.22 N ATOM 1353 CA ILE A 84 -10.999 6.604 -0.331 1.00 54.51 C ATOM 1354 C ILE A 84 -12.070 7.674 -0.125 1.00 4.24 C ATOM 1355 O ILE A 84 -11.847 8.653 0.582 1.00 32.14 O ATOM 1356 CB ILE A 84 -10.287 6.828 -1.692 1.00 1.53 C ATOM 1357 CG1 ILE A 84 -9.185 5.772 -1.908 1.00 42.22 C ATOM 1358 CG2 ILE A 84 -9.705 8.239 -1.775 1.00 4.30 C ATOM 1359 CD1 ILE A 84 -8.129 5.740 -0.818 1.00 72.05 C ATOM 0 H ILE A 84 -11.479 4.707 -1.088 1.00 50.22 H new ATOM 0 HA ILE A 84 -10.253 6.684 0.460 1.00 54.51 H new ATOM 0 HB ILE A 84 -11.027 6.719 -2.485 1.00 1.53 H new ATOM 0 HG12 ILE A 84 -9.649 4.788 -1.977 1.00 42.22 H new ATOM 0 HG13 ILE A 84 -8.698 5.962 -2.864 1.00 42.22 H new ATOM 0 HG21 ILE A 84 -9.211 8.373 -2.737 1.00 4.30 H new ATOM 0 HG22 ILE A 84 -10.507 8.970 -1.674 1.00 4.30 H new ATOM 0 HG23 ILE A 84 -8.981 8.382 -0.973 1.00 4.30 H new ATOM 0 HD11 ILE A 84 -7.392 4.970 -1.047 1.00 72.05 H new ATOM 0 HD12 ILE A 84 -7.635 6.710 -0.762 1.00 72.05 H new ATOM 0 HD13 ILE A 84 -8.601 5.517 0.139 1.00 72.05 H new ATOM 1371 N TYR A 85 -13.245 7.458 -0.715 1.00 14.30 N ATOM 1372 CA TYR A 85 -14.351 8.410 -0.621 1.00 30.42 C ATOM 1373 C TYR A 85 -14.818 8.560 0.828 1.00 54.41 C ATOM 1374 O TYR A 85 -15.053 9.675 1.302 1.00 2.31 O ATOM 1375 CB TYR A 85 -15.516 7.962 -1.514 1.00 55.31 C ATOM 1376 CG TYR A 85 -16.740 8.858 -1.429 1.00 72.43 C ATOM 1377 CD1 TYR A 85 -16.656 10.216 -1.714 1.00 54.51 C ATOM 1378 CD2 TYR A 85 -17.976 8.343 -1.055 1.00 62.24 C ATOM 1379 CE1 TYR A 85 -17.767 11.032 -1.631 1.00 42.14 C ATOM 1380 CE2 TYR A 85 -19.090 9.153 -0.971 1.00 13.13 C ATOM 1381 CZ TYR A 85 -18.981 10.494 -1.259 1.00 35.24 C ATOM 1382 OH TYR A 85 -20.091 11.305 -1.175 1.00 63.14 O ATOM 0 H TYR A 85 -13.456 6.626 -1.267 1.00 14.30 H new ATOM 0 HA TYR A 85 -13.997 9.381 -0.967 1.00 30.42 H new ATOM 0 HB2 TYR A 85 -15.175 7.928 -2.549 1.00 55.31 H new ATOM 0 HB3 TYR A 85 -15.802 6.947 -1.239 1.00 55.31 H new ATOM 0 HD1 TYR A 85 -15.706 10.640 -2.005 1.00 54.51 H new ATOM 0 HD2 TYR A 85 -18.066 7.291 -0.826 1.00 62.24 H new ATOM 0 HE1 TYR A 85 -17.686 12.085 -1.856 1.00 42.14 H new ATOM 0 HE2 TYR A 85 -20.043 8.736 -0.681 1.00 13.13 H new ATOM 0 HH TYR A 85 -20.866 10.771 -0.901 1.00 63.14 H new ATOM 1392 N GLU A 86 -14.925 7.437 1.534 1.00 52.32 N ATOM 1393 CA GLU A 86 -15.387 7.438 2.922 1.00 72.31 C ATOM 1394 C GLU A 86 -14.458 8.278 3.800 1.00 40.51 C ATOM 1395 O GLU A 86 -14.896 8.905 4.767 1.00 14.53 O ATOM 1396 CB GLU A 86 -15.447 6.005 3.470 1.00 60.14 C ATOM 1397 CG GLU A 86 -16.412 5.090 2.724 1.00 63.25 C ATOM 1398 CD GLU A 86 -17.855 5.562 2.791 1.00 33.33 C ATOM 1399 OE1 GLU A 86 -18.413 5.627 3.905 1.00 65.42 O ATOM 1400 OE2 GLU A 86 -18.445 5.859 1.728 1.00 21.55 O ATOM 0 H GLU A 86 -14.698 6.512 1.168 1.00 52.32 H new ATOM 0 HA GLU A 86 -16.386 7.873 2.942 1.00 72.31 H new ATOM 0 HB2 GLU A 86 -14.448 5.571 3.430 1.00 60.14 H new ATOM 0 HB3 GLU A 86 -15.737 6.041 4.520 1.00 60.14 H new ATOM 0 HG2 GLU A 86 -16.106 5.023 1.680 1.00 63.25 H new ATOM 0 HG3 GLU A 86 -16.345 4.085 3.140 1.00 63.25 H new ATOM 1407 N TYR A 87 -13.175 8.288 3.452 1.00 32.44 N ATOM 1408 CA TYR A 87 -12.163 8.989 4.242 1.00 5.01 C ATOM 1409 C TYR A 87 -11.772 10.324 3.615 1.00 44.41 C ATOM 1410 O TYR A 87 -11.191 11.179 4.289 1.00 52.31 O ATOM 1411 CB TYR A 87 -10.914 8.110 4.402 1.00 71.04 C ATOM 1412 CG TYR A 87 -11.117 6.906 5.303 1.00 44.24 C ATOM 1413 CD1 TYR A 87 -11.911 5.835 4.902 1.00 72.41 C ATOM 1414 CD2 TYR A 87 -10.517 6.841 6.556 1.00 21.05 C ATOM 1415 CE1 TYR A 87 -12.101 4.740 5.721 1.00 65.20 C ATOM 1416 CE2 TYR A 87 -10.701 5.749 7.380 1.00 54.32 C ATOM 1417 CZ TYR A 87 -11.494 4.699 6.958 1.00 64.41 C ATOM 1418 OH TYR A 87 -11.679 3.608 7.779 1.00 14.22 O ATOM 0 H TYR A 87 -12.808 7.817 2.625 1.00 32.44 H new ATOM 0 HA TYR A 87 -12.599 9.193 5.220 1.00 5.01 H new ATOM 0 HB2 TYR A 87 -10.597 7.765 3.418 1.00 71.04 H new ATOM 0 HB3 TYR A 87 -10.103 8.718 4.803 1.00 71.04 H new ATOM 0 HD1 TYR A 87 -12.387 5.861 3.933 1.00 72.41 H new ATOM 0 HD2 TYR A 87 -9.896 7.659 6.890 1.00 21.05 H new ATOM 0 HE1 TYR A 87 -12.722 3.919 5.394 1.00 65.20 H new ATOM 0 HE2 TYR A 87 -10.227 5.715 8.350 1.00 54.32 H new ATOM 0 HH TYR A 87 -11.181 3.738 8.613 1.00 14.22 H new ATOM 1428 N CYS A 88 -12.093 10.520 2.342 1.00 72.34 N ATOM 1429 CA CYS A 88 -11.590 11.681 1.613 1.00 42.24 C ATOM 1430 C CYS A 88 -12.488 12.093 0.452 1.00 34.33 C ATOM 1431 O CYS A 88 -12.732 11.319 -0.477 1.00 35.03 O ATOM 1432 CB CYS A 88 -10.188 11.376 1.075 1.00 42.33 C ATOM 1433 SG CYS A 88 -9.510 12.642 -0.048 1.00 72.24 S ATOM 0 H CYS A 88 -12.692 9.899 1.797 1.00 72.34 H new ATOM 0 HA CYS A 88 -11.569 12.512 2.318 1.00 42.24 H new ATOM 0 HB2 CYS A 88 -9.508 11.257 1.919 1.00 42.33 H new ATOM 0 HB3 CYS A 88 -10.215 10.421 0.550 1.00 42.33 H new ATOM 1438 N ASN A 89 -12.989 13.323 0.524 1.00 14.34 N ATOM 1439 CA ASN A 89 -13.563 13.995 -0.635 1.00 2.33 C ATOM 1440 C ASN A 89 -12.572 15.060 -1.103 1.00 35.21 C ATOM 1441 O ASN A 89 -12.307 15.215 -2.296 1.00 11.22 O ATOM 1442 CB ASN A 89 -14.919 14.629 -0.288 1.00 21.23 C ATOM 1443 CG ASN A 89 -15.584 15.296 -1.487 1.00 65.03 C ATOM 1444 OD1 ASN A 89 -15.367 14.901 -2.634 1.00 52.10 O ATOM 1445 ND2 ASN A 89 -16.403 16.308 -1.232 1.00 4.30 N ATOM 0 H ASN A 89 -13.008 13.877 1.380 1.00 14.34 H new ATOM 0 HA ASN A 89 -13.741 13.272 -1.431 1.00 2.33 H new ATOM 0 HB2 ASN A 89 -15.583 13.861 0.109 1.00 21.23 H new ATOM 0 HB3 ASN A 89 -14.778 15.368 0.501 1.00 21.23 H new ATOM 0 HD21 ASN A 89 -16.877 16.786 -1.998 1.00 4.30 H new ATOM 0 HD22 ASN A 89 -16.559 16.608 -0.270 1.00 4.30 H new ATOM 1452 N PHE A 90 -12.020 15.782 -0.128 1.00 14.13 N ATOM 1453 CA PHE A 90 -10.944 16.745 -0.358 1.00 5.25 C ATOM 1454 C PHE A 90 -9.962 16.707 0.816 1.00 61.11 C ATOM 1455 O PHE A 90 -10.092 17.482 1.764 1.00 35.22 O ATOM 1456 CB PHE A 90 -11.487 18.179 -0.520 1.00 61.23 C ATOM 1457 CG PHE A 90 -12.286 18.416 -1.776 1.00 64.55 C ATOM 1458 CD1 PHE A 90 -11.653 18.757 -2.964 1.00 42.14 C ATOM 1459 CD2 PHE A 90 -13.669 18.306 -1.770 1.00 31.24 C ATOM 1460 CE1 PHE A 90 -12.383 18.980 -4.115 1.00 62.34 C ATOM 1461 CE2 PHE A 90 -14.402 18.529 -2.918 1.00 33.02 C ATOM 1462 CZ PHE A 90 -13.759 18.865 -4.094 1.00 74.24 C ATOM 0 H PHE A 90 -12.308 15.715 0.848 1.00 14.13 H new ATOM 0 HA PHE A 90 -10.439 16.466 -1.283 1.00 5.25 H new ATOM 0 HB2 PHE A 90 -12.112 18.415 0.341 1.00 61.23 H new ATOM 0 HB3 PHE A 90 -10.647 18.874 -0.504 1.00 61.23 H new ATOM 0 HD1 PHE A 90 -10.577 18.849 -2.988 1.00 42.14 H new ATOM 0 HD2 PHE A 90 -14.179 18.042 -0.855 1.00 31.24 H new ATOM 0 HE1 PHE A 90 -11.877 19.244 -5.032 1.00 62.34 H new ATOM 0 HE2 PHE A 90 -15.478 18.441 -2.897 1.00 33.02 H new ATOM 0 HZ PHE A 90 -14.331 19.037 -4.994 1.00 74.24 H new ATOM 1472 N GLY A 91 -9.010 15.777 0.774 1.00 71.33 N ATOM 1473 CA GLY A 91 -8.007 15.686 1.828 1.00 14.23 C ATOM 1474 C GLY A 91 -7.573 14.257 2.093 1.00 75.00 C ATOM 1475 O GLY A 91 -8.214 13.540 2.867 1.00 12.25 O ATOM 0 H GLY A 91 -8.914 15.085 0.031 1.00 71.33 H new ATOM 0 HA2 GLY A 91 -7.137 16.281 1.550 1.00 14.23 H new ATOM 0 HA3 GLY A 91 -8.408 16.117 2.745 1.00 14.23 H new ATOM 1479 N CYS A 92 -6.484 13.849 1.446 1.00 24.54 N ATOM 1480 CA CYS A 92 -5.951 12.493 1.577 1.00 44.32 C ATOM 1481 C CYS A 92 -4.645 12.353 0.800 1.00 24.34 C ATOM 1482 O CYS A 92 -4.286 13.230 0.010 1.00 5.42 O ATOM 1483 CB CYS A 92 -6.970 11.463 1.073 1.00 11.10 C ATOM 1484 SG CYS A 92 -7.699 11.878 -0.547 1.00 2.44 S ATOM 0 H CYS A 92 -5.947 14.446 0.818 1.00 24.54 H new ATOM 0 HA CYS A 92 -5.754 12.307 2.633 1.00 44.32 H new ATOM 0 HB2 CYS A 92 -6.484 10.490 1.003 1.00 11.10 H new ATOM 0 HB3 CYS A 92 -7.770 11.368 1.807 1.00 11.10 H new ATOM 1489 N ALA A 93 -3.948 11.250 1.032 1.00 44.24 N ATOM 1490 CA ALA A 93 -2.691 10.956 0.359 1.00 12.15 C ATOM 1491 C ALA A 93 -2.364 9.479 0.521 1.00 23.53 C ATOM 1492 O ALA A 93 -1.962 9.047 1.599 1.00 72.23 O ATOM 1493 CB ALA A 93 -1.566 11.823 0.924 1.00 54.24 C ATOM 0 H ALA A 93 -4.239 10.531 1.695 1.00 44.24 H new ATOM 0 HA ALA A 93 -2.790 11.184 -0.702 1.00 12.15 H new ATOM 0 HB1 ALA A 93 -0.634 11.590 0.410 1.00 54.24 H new ATOM 0 HB2 ALA A 93 -1.809 12.875 0.777 1.00 54.24 H new ATOM 0 HB3 ALA A 93 -1.452 11.623 1.989 1.00 54.24 H new ATOM 1499 N TYR A 94 -2.545 8.702 -0.542 1.00 45.03 N ATOM 1500 CA TYR A 94 -2.392 7.253 -0.452 1.00 12.53 C ATOM 1501 C TYR A 94 -1.509 6.713 -1.569 1.00 60.54 C ATOM 1502 O TYR A 94 -1.291 7.375 -2.588 1.00 52.03 O ATOM 1503 CB TYR A 94 -3.766 6.561 -0.484 1.00 15.43 C ATOM 1504 CG TYR A 94 -4.492 6.650 -1.818 1.00 73.15 C ATOM 1505 CD1 TYR A 94 -5.285 7.748 -2.133 1.00 21.03 C ATOM 1506 CD2 TYR A 94 -4.384 5.628 -2.756 1.00 5.34 C ATOM 1507 CE1 TYR A 94 -5.948 7.824 -3.342 1.00 20.31 C ATOM 1508 CE2 TYR A 94 -5.044 5.698 -3.967 1.00 75.53 C ATOM 1509 CZ TYR A 94 -5.824 6.798 -4.255 1.00 32.35 C ATOM 1510 OH TYR A 94 -6.478 6.871 -5.466 1.00 43.31 O ATOM 0 H TYR A 94 -2.796 9.047 -1.469 1.00 45.03 H new ATOM 0 HA TYR A 94 -1.905 7.034 0.498 1.00 12.53 H new ATOM 0 HB2 TYR A 94 -3.634 5.510 -0.227 1.00 15.43 H new ATOM 0 HB3 TYR A 94 -4.397 7.001 0.288 1.00 15.43 H new ATOM 0 HD1 TYR A 94 -5.384 8.554 -1.421 1.00 21.03 H new ATOM 0 HD2 TYR A 94 -3.774 4.765 -2.533 1.00 5.34 H new ATOM 0 HE1 TYR A 94 -6.561 8.683 -3.571 1.00 20.31 H new ATOM 0 HE2 TYR A 94 -4.950 4.896 -4.684 1.00 75.53 H new ATOM 0 HH TYR A 94 -5.837 6.726 -6.193 1.00 43.31 H new ATOM 1520 N PHE A 95 -1.016 5.497 -1.364 1.00 14.32 N ATOM 1521 CA PHE A 95 -0.196 4.800 -2.350 1.00 13.40 C ATOM 1522 C PHE A 95 -0.680 3.361 -2.500 1.00 63.34 C ATOM 1523 O PHE A 95 -1.171 2.770 -1.535 1.00 31.34 O ATOM 1524 CB PHE A 95 1.285 4.827 -1.937 1.00 41.41 C ATOM 1525 CG PHE A 95 1.553 4.279 -0.553 1.00 63.31 C ATOM 1526 CD1 PHE A 95 1.806 2.928 -0.358 1.00 12.22 C ATOM 1527 CD2 PHE A 95 1.558 5.119 0.551 1.00 71.21 C ATOM 1528 CE1 PHE A 95 2.054 2.427 0.905 1.00 4.12 C ATOM 1529 CE2 PHE A 95 1.807 4.624 1.819 1.00 61.31 C ATOM 1530 CZ PHE A 95 2.054 3.276 1.996 1.00 12.22 C ATOM 0 H PHE A 95 -1.173 4.965 -0.508 1.00 14.32 H new ATOM 0 HA PHE A 95 -0.291 5.308 -3.309 1.00 13.40 H new ATOM 0 HB2 PHE A 95 1.863 4.253 -2.661 1.00 41.41 H new ATOM 0 HB3 PHE A 95 1.645 5.855 -1.985 1.00 41.41 H new ATOM 0 HD1 PHE A 95 1.809 2.259 -1.206 1.00 12.22 H new ATOM 0 HD2 PHE A 95 1.365 6.173 0.419 1.00 71.21 H new ATOM 0 HE1 PHE A 95 2.248 1.373 1.040 1.00 4.12 H new ATOM 0 HE2 PHE A 95 1.808 5.290 2.669 1.00 61.31 H new ATOM 0 HZ PHE A 95 2.247 2.886 2.985 1.00 12.22 H new ATOM 1540 N VAL A 96 -0.556 2.811 -3.710 1.00 61.32 N ATOM 1541 CA VAL A 96 -0.965 1.436 -3.987 1.00 41.33 C ATOM 1542 C VAL A 96 0.213 0.629 -4.543 1.00 33.11 C ATOM 1543 O VAL A 96 0.757 0.952 -5.605 1.00 1.21 O ATOM 1544 CB VAL A 96 -2.148 1.380 -4.995 1.00 61.31 C ATOM 1545 CG1 VAL A 96 -2.632 -0.056 -5.195 1.00 33.20 C ATOM 1546 CG2 VAL A 96 -3.299 2.280 -4.539 1.00 73.53 C ATOM 0 H VAL A 96 -0.173 3.303 -4.517 1.00 61.32 H new ATOM 0 HA VAL A 96 -1.296 1.001 -3.044 1.00 41.33 H new ATOM 0 HB VAL A 96 -1.786 1.751 -5.954 1.00 61.31 H new ATOM 0 HG11 VAL A 96 -3.459 -0.066 -5.904 1.00 33.20 H new ATOM 0 HG12 VAL A 96 -1.815 -0.665 -5.582 1.00 33.20 H new ATOM 0 HG13 VAL A 96 -2.967 -0.463 -4.241 1.00 33.20 H new ATOM 0 HG21 VAL A 96 -4.114 2.223 -5.261 1.00 73.53 H new ATOM 0 HG22 VAL A 96 -3.655 1.949 -3.563 1.00 73.53 H new ATOM 0 HG23 VAL A 96 -2.949 3.310 -4.467 1.00 73.53 H new ATOM 1556 N LEU A 97 0.618 -0.395 -3.800 1.00 21.01 N ATOM 1557 CA LEU A 97 1.654 -1.330 -4.236 1.00 1.34 C ATOM 1558 C LEU A 97 1.023 -2.671 -4.607 1.00 72.35 C ATOM 1559 O LEU A 97 0.007 -3.058 -4.031 1.00 5.31 O ATOM 1560 CB LEU A 97 2.700 -1.547 -3.124 1.00 34.52 C ATOM 1561 CG LEU A 97 3.861 -0.534 -3.068 1.00 43.34 C ATOM 1562 CD1 LEU A 97 3.361 0.884 -2.836 1.00 74.21 C ATOM 1563 CD2 LEU A 97 4.858 -0.930 -1.982 1.00 52.15 C ATOM 0 H LEU A 97 0.238 -0.602 -2.876 1.00 21.01 H new ATOM 0 HA LEU A 97 2.152 -0.905 -5.108 1.00 1.34 H new ATOM 0 HB2 LEU A 97 2.186 -1.531 -2.163 1.00 34.52 H new ATOM 0 HB3 LEU A 97 3.123 -2.545 -3.242 1.00 34.52 H new ATOM 0 HG LEU A 97 4.362 -0.552 -4.036 1.00 43.34 H new ATOM 0 HD11 LEU A 97 4.209 1.568 -2.803 1.00 74.21 H new ATOM 0 HD12 LEU A 97 2.694 1.172 -3.649 1.00 74.21 H new ATOM 0 HD13 LEU A 97 2.821 0.929 -1.890 1.00 74.21 H new ATOM 0 HD21 LEU A 97 5.672 -0.206 -1.954 1.00 52.15 H new ATOM 0 HD22 LEU A 97 4.355 -0.948 -1.015 1.00 52.15 H new ATOM 0 HD23 LEU A 97 5.260 -1.919 -2.200 1.00 52.15 H new ATOM 1575 N LYS A 98 1.626 -3.375 -5.564 1.00 10.34 N ATOM 1576 CA LYS A 98 1.169 -4.716 -5.935 1.00 11.21 C ATOM 1577 C LYS A 98 2.256 -5.744 -5.634 1.00 12.43 C ATOM 1578 O LYS A 98 3.449 -5.437 -5.712 1.00 63.32 O ATOM 1579 CB LYS A 98 0.789 -4.791 -7.423 1.00 50.51 C ATOM 1580 CG LYS A 98 0.316 -6.183 -7.855 1.00 62.00 C ATOM 1581 CD LYS A 98 0.007 -6.252 -9.347 1.00 0.14 C ATOM 1582 CE LYS A 98 -0.481 -7.638 -9.763 1.00 20.53 C ATOM 1583 NZ LYS A 98 -1.755 -8.012 -9.087 1.00 34.22 N ATOM 0 H LYS A 98 2.430 -3.041 -6.096 1.00 10.34 H new ATOM 0 HA LYS A 98 0.280 -4.937 -5.344 1.00 11.21 H new ATOM 0 HB2 LYS A 98 0.000 -4.067 -7.627 1.00 50.51 H new ATOM 0 HB3 LYS A 98 1.650 -4.503 -8.026 1.00 50.51 H new ATOM 0 HG2 LYS A 98 1.084 -6.917 -7.611 1.00 62.00 H new ATOM 0 HG3 LYS A 98 -0.575 -6.453 -7.289 1.00 62.00 H new ATOM 0 HD2 LYS A 98 -0.752 -5.510 -9.595 1.00 0.14 H new ATOM 0 HD3 LYS A 98 0.901 -5.996 -9.915 1.00 0.14 H new ATOM 0 HE2 LYS A 98 -0.624 -7.662 -10.843 1.00 20.53 H new ATOM 0 HE3 LYS A 98 0.284 -8.377 -9.527 1.00 20.53 H new ATOM 0 HZ1 LYS A 98 -2.214 -8.783 -9.613 1.00 34.22 H new ATOM 0 HZ2 LYS A 98 -1.554 -8.328 -8.117 1.00 34.22 H new ATOM 0 HZ3 LYS A 98 -2.388 -7.187 -9.058 1.00 34.22 H new ATOM 1597 N ARG A 99 1.836 -6.956 -5.288 1.00 52.12 N ATOM 1598 CA ARG A 99 2.759 -8.050 -5.025 1.00 23.34 C ATOM 1599 C ARG A 99 3.257 -8.645 -6.345 1.00 32.20 C ATOM 1600 O ARG A 99 2.490 -9.248 -7.104 1.00 61.34 O ATOM 1601 CB ARG A 99 2.080 -9.125 -4.163 1.00 63.24 C ATOM 1602 CG ARG A 99 2.954 -10.340 -3.863 1.00 0.32 C ATOM 1603 CD ARG A 99 4.271 -9.954 -3.199 1.00 12.02 C ATOM 1604 NE ARG A 99 5.043 -11.134 -2.805 1.00 21.44 N ATOM 1605 CZ ARG A 99 6.156 -11.550 -3.412 1.00 4.33 C ATOM 1606 NH1 ARG A 99 6.656 -10.867 -4.437 1.00 14.00 N ATOM 1607 NH2 ARG A 99 6.766 -12.649 -2.991 1.00 73.13 N ATOM 0 H ARG A 99 0.853 -7.205 -5.183 1.00 52.12 H new ATOM 0 HA ARG A 99 3.617 -7.665 -4.474 1.00 23.34 H new ATOM 0 HB2 ARG A 99 1.770 -8.674 -3.220 1.00 63.24 H new ATOM 0 HB3 ARG A 99 1.175 -9.460 -4.669 1.00 63.24 H new ATOM 0 HG2 ARG A 99 2.409 -11.026 -3.214 1.00 0.32 H new ATOM 0 HG3 ARG A 99 3.160 -10.875 -4.790 1.00 0.32 H new ATOM 0 HD2 ARG A 99 4.860 -9.346 -3.885 1.00 12.02 H new ATOM 0 HD3 ARG A 99 4.070 -9.340 -2.321 1.00 12.02 H new ATOM 0 HE ARG A 99 4.706 -11.677 -2.010 1.00 21.44 H new ATOM 0 HH11 ARG A 99 6.189 -10.021 -4.763 1.00 14.00 H new ATOM 0 HH12 ARG A 99 7.507 -11.189 -4.898 1.00 14.00 H new ATOM 0 HH21 ARG A 99 6.384 -13.175 -2.205 1.00 73.13 H new ATOM 0 HH22 ARG A 99 7.617 -12.969 -3.453 1.00 73.13 H new ATOM 1621 N ILE A 100 4.539 -8.450 -6.619 1.00 43.22 N ATOM 1622 CA ILE A 100 5.161 -8.944 -7.845 1.00 44.21 C ATOM 1623 C ILE A 100 5.353 -10.465 -7.766 1.00 20.43 C ATOM 1624 O ILE A 100 5.113 -11.067 -6.715 1.00 21.15 O ATOM 1625 CB ILE A 100 6.523 -8.230 -8.085 1.00 72.52 C ATOM 1626 CG1 ILE A 100 6.359 -6.717 -7.897 1.00 61.54 C ATOM 1627 CG2 ILE A 100 7.082 -8.522 -9.477 1.00 30.33 C ATOM 1628 CD1 ILE A 100 5.309 -6.102 -8.794 1.00 74.24 C ATOM 0 H ILE A 100 5.177 -7.947 -6.002 1.00 43.22 H new ATOM 0 HA ILE A 100 4.505 -8.722 -8.687 1.00 44.21 H new ATOM 0 HB ILE A 100 7.233 -8.618 -7.355 1.00 72.52 H new ATOM 0 HG12 ILE A 100 6.099 -6.515 -6.858 1.00 61.54 H new ATOM 0 HG13 ILE A 100 7.316 -6.231 -8.087 1.00 61.54 H new ATOM 0 HG21 ILE A 100 8.033 -8.005 -9.603 1.00 30.33 H new ATOM 0 HG22 ILE A 100 7.235 -9.595 -9.590 1.00 30.33 H new ATOM 0 HG23 ILE A 100 6.377 -8.175 -10.232 1.00 30.33 H new ATOM 0 HD11 ILE A 100 5.250 -5.030 -8.604 1.00 74.24 H new ATOM 0 HD12 ILE A 100 5.577 -6.271 -9.837 1.00 74.24 H new ATOM 0 HD13 ILE A 100 4.342 -6.560 -8.589 1.00 74.24 H new ATOM 1640 N ARG A 101 5.764 -11.072 -8.878 1.00 51.31 N ATOM 1641 CA ARG A 101 5.955 -12.520 -8.962 1.00 54.52 C ATOM 1642 C ARG A 101 6.819 -13.051 -7.810 1.00 1.11 C ATOM 1643 O ARG A 101 6.293 -13.640 -6.863 1.00 63.42 O ATOM 1644 CB ARG A 101 6.566 -12.893 -10.328 1.00 22.32 C ATOM 1645 CG ARG A 101 5.543 -12.996 -11.466 1.00 72.24 C ATOM 1646 CD ARG A 101 4.687 -11.738 -11.626 1.00 13.44 C ATOM 1647 NE ARG A 101 5.469 -10.568 -12.046 1.00 22.02 N ATOM 1648 CZ ARG A 101 5.012 -9.309 -12.014 1.00 60.03 C ATOM 1649 NH1 ARG A 101 3.811 -9.039 -11.523 1.00 25.02 N ATOM 1650 NH2 ARG A 101 5.769 -8.314 -12.455 1.00 11.43 N ATOM 0 H ARG A 101 5.974 -10.576 -9.744 1.00 51.31 H new ATOM 0 HA ARG A 101 4.978 -12.994 -8.870 1.00 54.52 H new ATOM 0 HB2 ARG A 101 7.315 -12.148 -10.594 1.00 22.32 H new ATOM 0 HB3 ARG A 101 7.085 -13.847 -10.233 1.00 22.32 H new ATOM 0 HG2 ARG A 101 6.068 -13.191 -12.401 1.00 72.24 H new ATOM 0 HG3 ARG A 101 4.891 -13.850 -11.283 1.00 72.24 H new ATOM 0 HD2 ARG A 101 3.903 -11.928 -12.359 1.00 13.44 H new ATOM 0 HD3 ARG A 101 4.192 -11.518 -10.680 1.00 13.44 H new ATOM 0 HE ARG A 101 6.419 -10.724 -12.383 1.00 22.02 H new ATOM 0 HH11 ARG A 101 3.225 -9.793 -11.165 1.00 25.02 H new ATOM 0 HH12 ARG A 101 3.473 -8.077 -11.503 1.00 25.02 H new ATOM 0 HH21 ARG A 101 6.702 -8.506 -12.820 1.00 11.43 H new ATOM 0 HH22 ARG A 101 5.418 -7.356 -12.429 1.00 11.43 H new ATOM 1664 N LYS A 102 8.134 -12.829 -7.871 1.00 1.10 N ATOM 1665 CA LYS A 102 9.044 -13.320 -6.834 1.00 32.34 C ATOM 1666 C LYS A 102 10.477 -12.878 -7.105 1.00 31.04 C ATOM 1667 O LYS A 102 10.855 -12.618 -8.249 1.00 72.32 O ATOM 1668 CB LYS A 102 8.973 -14.853 -6.715 1.00 65.31 C ATOM 1669 CG LYS A 102 9.362 -15.605 -7.983 1.00 54.12 C ATOM 1670 CD LYS A 102 9.145 -17.116 -7.850 1.00 12.01 C ATOM 1671 CE LYS A 102 10.108 -17.778 -6.861 1.00 0.45 C ATOM 1672 NZ LYS A 102 9.872 -17.372 -5.447 1.00 61.30 N ATOM 0 H LYS A 102 8.591 -12.315 -8.624 1.00 1.10 H new ATOM 0 HA LYS A 102 8.724 -12.886 -5.887 1.00 32.34 H new ATOM 0 HB2 LYS A 102 9.627 -15.172 -5.903 1.00 65.31 H new ATOM 0 HB3 LYS A 102 7.958 -15.136 -6.437 1.00 65.31 H new ATOM 0 HG2 LYS A 102 8.776 -15.228 -8.821 1.00 54.12 H new ATOM 0 HG3 LYS A 102 10.409 -15.409 -8.213 1.00 54.12 H new ATOM 0 HD2 LYS A 102 8.120 -17.303 -7.530 1.00 12.01 H new ATOM 0 HD3 LYS A 102 9.263 -17.581 -8.829 1.00 12.01 H new ATOM 0 HE2 LYS A 102 10.013 -18.861 -6.941 1.00 0.45 H new ATOM 0 HE3 LYS A 102 11.132 -17.527 -7.138 1.00 0.45 H new ATOM 0 HZ1 LYS A 102 9.930 -18.208 -4.831 1.00 61.30 H new ATOM 0 HZ2 LYS A 102 10.593 -16.680 -5.160 1.00 61.30 H new ATOM 0 HZ3 LYS A 102 8.928 -16.944 -5.362 1.00 61.30 H new ATOM 1686 N LEU A 103 11.270 -12.831 -6.036 1.00 1.34 N ATOM 1687 CA LEU A 103 12.630 -12.304 -6.085 1.00 62.20 C ATOM 1688 C LEU A 103 13.502 -13.113 -7.045 1.00 13.22 C ATOM 1689 O LEU A 103 13.723 -14.309 -6.836 1.00 15.34 O ATOM 1690 CB LEU A 103 13.263 -12.308 -4.676 1.00 3.10 C ATOM 1691 CG LEU A 103 12.643 -11.342 -3.641 1.00 21.33 C ATOM 1692 CD1 LEU A 103 12.697 -9.903 -4.141 1.00 71.51 C ATOM 1693 CD2 LEU A 103 11.210 -11.739 -3.289 1.00 63.30 C ATOM 0 H LEU A 103 10.987 -13.157 -5.112 1.00 1.34 H new ATOM 0 HA LEU A 103 12.574 -11.278 -6.450 1.00 62.20 H new ATOM 0 HB2 LEU A 103 13.202 -13.321 -4.277 1.00 3.10 H new ATOM 0 HB3 LEU A 103 14.321 -12.068 -4.776 1.00 3.10 H new ATOM 0 HG LEU A 103 13.238 -11.412 -2.730 1.00 21.33 H new ATOM 0 HD11 LEU A 103 12.255 -9.242 -3.396 1.00 71.51 H new ATOM 0 HD12 LEU A 103 13.735 -9.616 -4.311 1.00 71.51 H new ATOM 0 HD13 LEU A 103 12.140 -9.821 -5.074 1.00 71.51 H new ATOM 0 HD21 LEU A 103 10.807 -11.037 -2.559 1.00 63.30 H new ATOM 0 HD22 LEU A 103 10.595 -11.719 -4.189 1.00 63.30 H new ATOM 0 HD23 LEU A 103 11.204 -12.744 -2.868 1.00 63.30 H new ATOM 1705 N GLU A 104 13.974 -12.463 -8.107 1.00 5.35 N ATOM 1706 CA GLU A 104 14.892 -13.091 -9.053 1.00 21.10 C ATOM 1707 C GLU A 104 16.296 -13.169 -8.450 1.00 1.33 C ATOM 1708 O GLU A 104 16.937 -12.141 -8.210 1.00 70.53 O ATOM 1709 CB GLU A 104 14.942 -12.315 -10.378 1.00 30.20 C ATOM 1710 CG GLU A 104 13.613 -12.265 -11.129 1.00 63.01 C ATOM 1711 CD GLU A 104 13.746 -11.638 -12.513 1.00 61.20 C ATOM 1712 OE1 GLU A 104 13.801 -10.392 -12.608 1.00 40.12 O ATOM 1713 OE2 GLU A 104 13.812 -12.387 -13.514 1.00 64.00 O ATOM 0 H GLU A 104 13.734 -11.498 -8.334 1.00 5.35 H new ATOM 0 HA GLU A 104 14.526 -14.097 -9.257 1.00 21.10 H new ATOM 0 HB2 GLU A 104 15.270 -11.295 -10.176 1.00 30.20 H new ATOM 0 HB3 GLU A 104 15.694 -12.770 -11.023 1.00 30.20 H new ATOM 0 HG2 GLU A 104 13.218 -13.276 -11.228 1.00 63.01 H new ATOM 0 HG3 GLU A 104 12.890 -11.696 -10.544 1.00 63.01 H new ATOM 1720 N HIS A 105 16.765 -14.386 -8.190 1.00 52.31 N ATOM 1721 CA HIS A 105 18.117 -14.595 -7.683 1.00 55.22 C ATOM 1722 C HIS A 105 19.120 -14.454 -8.825 1.00 14.41 C ATOM 1723 O HIS A 105 19.327 -15.385 -9.606 1.00 35.53 O ATOM 1724 CB HIS A 105 18.251 -15.975 -7.017 1.00 62.12 C ATOM 1725 CG HIS A 105 19.640 -16.277 -6.528 1.00 25.52 C ATOM 1726 ND1 HIS A 105 20.507 -17.120 -7.188 1.00 44.10 N ATOM 1727 CD2 HIS A 105 20.312 -15.840 -5.432 1.00 41.51 C ATOM 1728 CE1 HIS A 105 21.648 -17.190 -6.526 1.00 44.32 C ATOM 1729 NE2 HIS A 105 21.555 -16.423 -5.457 1.00 53.35 N ATOM 0 H HIS A 105 16.228 -15.243 -8.322 1.00 52.31 H new ATOM 0 HA HIS A 105 18.325 -13.839 -6.926 1.00 55.22 H new ATOM 0 HB2 HIS A 105 17.559 -16.032 -6.177 1.00 62.12 H new ATOM 0 HB3 HIS A 105 17.951 -16.743 -7.730 1.00 62.12 H new ATOM 0 HD2 HIS A 105 19.938 -15.160 -4.680 1.00 41.51 H new ATOM 0 HE1 HIS A 105 22.510 -17.775 -6.811 1.00 44.32 H new ATOM 0 HE2 HIS A 105 22.288 -16.285 -4.761 1.00 53.35 H new ATOM 1738 N HIS A 106 19.719 -13.273 -8.931 1.00 34.05 N ATOM 1739 CA HIS A 106 20.667 -12.977 -10.000 1.00 3.33 C ATOM 1740 C HIS A 106 21.937 -13.804 -9.804 1.00 62.20 C ATOM 1741 O HIS A 106 22.881 -13.364 -9.146 1.00 73.31 O ATOM 1742 CB HIS A 106 20.982 -11.471 -10.032 1.00 62.44 C ATOM 1743 CG HIS A 106 21.560 -10.984 -11.332 1.00 22.34 C ATOM 1744 ND1 HIS A 106 20.782 -10.707 -12.434 1.00 31.11 N ATOM 1745 CD2 HIS A 106 22.834 -10.698 -11.696 1.00 71.11 C ATOM 1746 CE1 HIS A 106 21.547 -10.271 -13.415 1.00 10.12 C ATOM 1747 NE2 HIS A 106 22.798 -10.252 -12.998 1.00 55.25 N ATOM 0 H HIS A 106 19.563 -12.499 -8.285 1.00 34.05 H new ATOM 0 HA HIS A 106 20.226 -13.245 -10.960 1.00 3.33 H new ATOM 0 HB2 HIS A 106 20.067 -10.916 -9.825 1.00 62.44 H new ATOM 0 HB3 HIS A 106 21.682 -11.242 -9.229 1.00 62.44 H new ATOM 0 HD2 HIS A 106 23.714 -10.801 -11.079 1.00 71.11 H new ATOM 0 HE1 HIS A 106 21.206 -9.978 -14.397 1.00 10.12 H new ATOM 0 HE2 HIS A 106 23.604 -9.956 -13.548 1.00 55.25 H new ATOM 1756 N HIS A 107 21.924 -15.020 -10.350 1.00 53.24 N ATOM 1757 CA HIS A 107 23.018 -15.981 -10.170 1.00 43.31 C ATOM 1758 C HIS A 107 24.346 -15.449 -10.709 1.00 23.42 C ATOM 1759 O HIS A 107 25.414 -15.867 -10.257 1.00 41.31 O ATOM 1760 CB HIS A 107 22.680 -17.322 -10.843 1.00 54.24 C ATOM 1761 CG HIS A 107 22.375 -17.210 -12.309 1.00 41.20 C ATOM 1762 ND1 HIS A 107 23.328 -17.340 -13.298 1.00 64.33 N ATOM 1763 CD2 HIS A 107 21.207 -16.968 -12.947 1.00 22.21 C ATOM 1764 CE1 HIS A 107 22.754 -17.185 -14.478 1.00 42.30 C ATOM 1765 NE2 HIS A 107 21.467 -16.956 -14.293 1.00 53.53 N ATOM 0 H HIS A 107 21.159 -15.368 -10.928 1.00 53.24 H new ATOM 0 HA HIS A 107 23.132 -16.135 -9.097 1.00 43.31 H new ATOM 0 HB2 HIS A 107 23.518 -18.006 -10.708 1.00 54.24 H new ATOM 0 HB3 HIS A 107 21.822 -17.765 -10.337 1.00 54.24 H new ATOM 0 HD2 HIS A 107 20.245 -16.813 -12.481 1.00 22.21 H new ATOM 0 HE1 HIS A 107 23.254 -17.237 -15.434 1.00 42.30 H new ATOM 0 HE2 HIS A 107 20.780 -16.797 -15.030 1.00 53.53 H new ATOM 1774 N HIS A 108 24.287 -14.540 -11.678 1.00 34.03 N ATOM 1775 CA HIS A 108 25.504 -13.968 -12.245 1.00 23.43 C ATOM 1776 C HIS A 108 26.149 -13.001 -11.251 1.00 53.21 C ATOM 1777 O HIS A 108 25.936 -11.787 -11.313 1.00 24.13 O ATOM 1778 CB HIS A 108 25.221 -13.255 -13.569 1.00 74.23 C ATOM 1779 CG HIS A 108 26.463 -12.735 -14.234 1.00 74.22 C ATOM 1780 ND1 HIS A 108 26.956 -11.469 -14.016 1.00 75.45 N ATOM 1781 CD2 HIS A 108 27.323 -13.325 -15.100 1.00 51.13 C ATOM 1782 CE1 HIS A 108 28.059 -11.301 -14.718 1.00 14.32 C ATOM 1783 NE2 HIS A 108 28.308 -12.411 -15.383 1.00 4.54 N ATOM 0 H HIS A 108 23.420 -14.187 -12.083 1.00 34.03 H new ATOM 0 HA HIS A 108 26.196 -14.786 -12.446 1.00 23.43 H new ATOM 0 HB2 HIS A 108 24.715 -13.944 -14.245 1.00 74.23 H new ATOM 0 HB3 HIS A 108 24.537 -12.425 -13.389 1.00 74.23 H new ATOM 0 HD2 HIS A 108 27.247 -14.328 -15.494 1.00 51.13 H new ATOM 0 HE1 HIS A 108 28.659 -10.403 -14.744 1.00 14.32 H new ATOM 0 HE2 HIS A 108 29.101 -12.566 -16.005 1.00 4.54 H new ATOM 1792 N HIS A 109 26.904 -13.562 -10.316 1.00 23.32 N ATOM 1793 CA HIS A 109 27.620 -12.787 -9.313 1.00 52.21 C ATOM 1794 C HIS A 109 28.702 -13.650 -8.672 1.00 31.24 C ATOM 1795 O HIS A 109 28.401 -14.658 -8.031 1.00 62.42 O ATOM 1796 CB HIS A 109 26.659 -12.263 -8.236 1.00 4.32 C ATOM 1797 CG HIS A 109 27.348 -11.560 -7.104 1.00 64.42 C ATOM 1798 ND1 HIS A 109 27.696 -12.190 -5.927 1.00 11.23 N ATOM 1799 CD2 HIS A 109 27.763 -10.277 -6.976 1.00 32.25 C ATOM 1800 CE1 HIS A 109 28.286 -11.326 -5.125 1.00 1.20 C ATOM 1801 NE2 HIS A 109 28.338 -10.159 -5.738 1.00 4.34 N ATOM 0 H HIS A 109 27.037 -14.570 -10.232 1.00 23.32 H new ATOM 0 HA HIS A 109 28.082 -11.930 -9.803 1.00 52.21 H new ATOM 0 HB2 HIS A 109 25.948 -11.578 -8.698 1.00 4.32 H new ATOM 0 HB3 HIS A 109 26.084 -13.099 -7.837 1.00 4.32 H new ATOM 0 HD2 HIS A 109 27.660 -9.494 -7.712 1.00 32.25 H new ATOM 0 HE1 HIS A 109 28.663 -11.537 -4.135 1.00 1.20 H new ATOM 0 HE2 HIS A 109 28.742 -9.305 -5.352 1.00 4.34 H new ATOM 1810 N HIS A 110 29.954 -13.267 -8.871 1.00 31.42 N ATOM 1811 CA HIS A 110 31.082 -13.979 -8.284 1.00 32.53 C ATOM 1812 C HIS A 110 31.222 -13.611 -6.808 1.00 15.22 C ATOM 1813 O HIS A 110 30.788 -14.408 -5.950 1.00 38.25 O ATOM 1814 CB HIS A 110 32.374 -13.653 -9.046 1.00 64.40 C ATOM 1815 CG HIS A 110 33.587 -14.354 -8.506 1.00 52.30 C ATOM 1816 ND1 HIS A 110 34.454 -13.767 -7.615 1.00 43.24 N ATOM 1817 CD2 HIS A 110 34.083 -15.593 -8.748 1.00 64.43 C ATOM 1818 CE1 HIS A 110 35.426 -14.608 -7.329 1.00 73.20 C ATOM 1819 NE2 HIS A 110 35.226 -15.723 -8.002 1.00 61.22 N ATOM 1820 OXT HIS A 110 31.729 -12.507 -6.513 1.00 38.25 O ATOM 0 H HIS A 110 30.217 -12.461 -9.439 1.00 31.42 H new ATOM 0 HA HIS A 110 30.901 -15.051 -8.360 1.00 32.53 H new ATOM 0 HB2 HIS A 110 32.245 -13.924 -10.094 1.00 64.40 H new ATOM 0 HB3 HIS A 110 32.543 -12.577 -9.013 1.00 64.40 H new ATOM 0 HD2 HIS A 110 33.658 -16.337 -9.405 1.00 64.43 H new ATOM 0 HE1 HIS A 110 36.249 -14.416 -6.656 1.00 73.20 H new ATOM 0 HE2 HIS A 110 35.824 -16.549 -7.973 1.00 61.22 H new TER 1829 HIS A 110