USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 486 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 71 GLN : amide:sc= -0.226 K(o=-1,f=-2.1!) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= -0.783 USER MOD Set 2.1: A 77 SER OG : rot 140:sc= -1.26! USER MOD Set 2.2: A 97 TYR OH : rot -21:sc= 0.793 USER MOD Single : A 10 TYR OH : rot 139:sc= 0.00156 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 158:sc= -0.974 (180deg=-1.48) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0874 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc=-0.00606 X(o=-0.0061,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0179 X(o=-0.018,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.382 K(o=-0.38,f=-1.2!) USER MOD Single : A 35 CYS SG : rot -50:sc= -7.71! USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.597 USER MOD Single : A 39 ASN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 73:sc= 1.18 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 77:sc= 0.881 USER MOD Single : A 53 ASN : amide:sc= -0.406 K(o=-0.41,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 59 MET CE :methyl -134:sc= -0.291 (180deg=-3.54!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.265 K(o=-0.27,f=-2.8!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl -112:sc= -2.16! (180deg=-5.53!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.139 USER MOD Single : A 87 ASN : amide:sc= -0.0151 K(o=-0.015,f=-1.1) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.28 F(o=-1.4,f=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 12.653 -12.133 1.106 1.00 0.00 N ATOM 2 CA ASP A 5 13.050 -10.921 0.401 1.00 0.00 C ATOM 3 C ASP A 5 11.861 -9.982 0.217 1.00 0.00 C ATOM 4 O ASP A 5 11.050 -10.161 -0.692 1.00 0.00 O ATOM 5 CB ASP A 5 13.651 -11.273 -0.961 1.00 0.00 C ATOM 6 CG ASP A 5 15.150 -11.043 -1.009 1.00 0.00 C ATOM 7 OD1 ASP A 5 15.618 -10.051 -0.411 1.00 0.00 O ATOM 8 OD2 ASP A 5 15.855 -11.853 -1.644 1.00 0.00 O ATOM 0 HA ASP A 5 13.802 -10.411 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.439 -12.317 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.169 -10.674 -1.733 1.00 0.00 H new ATOM 11 N LEU A 6 11.767 -8.978 1.086 1.00 0.00 N ATOM 12 CA LEU A 6 10.680 -8.008 1.016 1.00 0.00 C ATOM 13 C LEU A 6 10.865 -7.077 -0.177 1.00 0.00 C ATOM 14 O LEU A 6 9.899 -6.509 -0.690 1.00 0.00 O ATOM 15 CB LEU A 6 10.613 -7.190 2.311 1.00 0.00 C ATOM 16 CG LEU A 6 9.429 -7.517 3.225 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.745 -7.135 4.663 1.00 0.00 C ATOM 18 CD2 LEU A 6 8.173 -6.799 2.750 1.00 0.00 C ATOM 0 H LEU A 6 12.429 -8.816 1.845 1.00 0.00 H new ATOM 0 HA LEU A 6 9.744 -8.553 0.891 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.536 -7.345 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.571 -6.132 2.052 1.00 0.00 H new ATOM 0 HG LEU A 6 9.250 -8.591 3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.893 -7.374 5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.619 -7.691 5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.950 -6.066 4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.342 -7.043 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.343 -5.722 2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.934 -7.117 1.735 1.00 0.00 H new ATOM 28 N GLY A 7 12.111 -6.928 -0.616 1.00 0.00 N ATOM 29 CA GLY A 7 12.403 -6.066 -1.748 1.00 0.00 C ATOM 30 C GLY A 7 11.855 -6.613 -3.052 1.00 0.00 C ATOM 31 O GLY A 7 11.322 -5.863 -3.869 1.00 0.00 O ATOM 0 H GLY A 7 12.924 -7.389 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.980 -5.078 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.482 -5.940 -1.836 1.00 0.00 H new ATOM 35 N ALA A 8 11.986 -7.923 -3.246 1.00 0.00 N ATOM 36 CA ALA A 8 11.499 -8.569 -4.460 1.00 0.00 C ATOM 37 C ALA A 8 9.990 -8.409 -4.596 1.00 0.00 C ATOM 38 O ALA A 8 9.486 -8.072 -5.667 1.00 0.00 O ATOM 39 CB ALA A 8 11.876 -10.044 -4.462 1.00 0.00 C ATOM 0 H ALA A 8 12.425 -8.557 -2.578 1.00 0.00 H new ATOM 0 HA ALA A 8 11.970 -8.084 -5.315 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.506 -10.513 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.961 -10.142 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.432 -10.534 -3.596 1.00 0.00 H new ATOM 45 N LEU A 9 9.274 -8.649 -3.501 1.00 0.00 N ATOM 46 CA LEU A 9 7.822 -8.525 -3.499 1.00 0.00 C ATOM 47 C LEU A 9 7.408 -7.097 -3.827 1.00 0.00 C ATOM 48 O LEU A 9 6.547 -6.873 -4.678 1.00 0.00 O ATOM 49 CB LEU A 9 7.249 -8.944 -2.147 1.00 0.00 C ATOM 50 CG LEU A 9 5.737 -9.146 -2.123 1.00 0.00 C ATOM 51 CD1 LEU A 9 5.361 -10.413 -2.869 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.232 -9.197 -0.692 1.00 0.00 C ATOM 0 H LEU A 9 9.676 -8.930 -2.606 1.00 0.00 H new ATOM 0 HA LEU A 9 7.422 -9.188 -4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.730 -9.872 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.511 -8.187 -1.408 1.00 0.00 H new ATOM 0 HG LEU A 9 5.265 -8.300 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.279 -10.543 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.693 -10.337 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.841 -11.270 -2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.152 -9.342 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.709 -10.025 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.473 -8.261 -0.188 1.00 0.00 H new ATOM 62 N TYR A 10 8.033 -6.135 -3.153 1.00 0.00 N ATOM 63 CA TYR A 10 7.734 -4.729 -3.389 1.00 0.00 C ATOM 64 C TYR A 10 7.908 -4.402 -4.866 1.00 0.00 C ATOM 65 O TYR A 10 7.089 -3.701 -5.457 1.00 0.00 O ATOM 66 CB TYR A 10 8.650 -3.831 -2.544 1.00 0.00 C ATOM 67 CG TYR A 10 8.628 -2.372 -2.957 1.00 0.00 C ATOM 68 CD1 TYR A 10 9.426 -1.910 -3.998 1.00 0.00 C ATOM 69 CD2 TYR A 10 7.801 -1.461 -2.313 1.00 0.00 C ATOM 70 CE1 TYR A 10 9.402 -0.585 -4.384 1.00 0.00 C ATOM 71 CE2 TYR A 10 7.772 -0.131 -2.692 1.00 0.00 C ATOM 72 CZ TYR A 10 8.575 0.301 -3.728 1.00 0.00 C ATOM 73 OH TYR A 10 8.547 1.622 -4.109 1.00 0.00 O ATOM 0 H TYR A 10 8.746 -6.304 -2.443 1.00 0.00 H new ATOM 0 HA TYR A 10 6.700 -4.542 -3.098 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.353 -3.907 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.672 -4.203 -2.613 1.00 0.00 H new ATOM 0 HD1 TYR A 10 10.077 -2.601 -4.514 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.170 -1.796 -1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.028 -0.244 -5.196 1.00 0.00 H new ATOM 0 HE2 TYR A 10 7.125 0.566 -2.180 1.00 0.00 H new ATOM 0 HH TYR A 10 7.622 1.947 -4.097 1.00 0.00 H new ATOM 81 N LEU A 11 8.987 -4.913 -5.449 1.00 0.00 N ATOM 82 CA LEU A 11 9.285 -4.678 -6.855 1.00 0.00 C ATOM 83 C LEU A 11 8.153 -5.183 -7.741 1.00 0.00 C ATOM 84 O LEU A 11 7.835 -4.571 -8.761 1.00 0.00 O ATOM 85 CB LEU A 11 10.602 -5.352 -7.238 1.00 0.00 C ATOM 86 CG LEU A 11 11.782 -4.397 -7.418 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.046 -4.993 -6.817 1.00 0.00 C ATOM 88 CD2 LEU A 11 11.989 -4.076 -8.889 1.00 0.00 C ATOM 0 H LEU A 11 9.672 -5.495 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 11 9.384 -3.603 -7.008 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.857 -6.082 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.455 -5.904 -8.166 1.00 0.00 H new ATOM 0 HG LEU A 11 11.557 -3.468 -6.893 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.876 -4.300 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.894 -5.171 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.275 -5.936 -7.313 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.833 -3.395 -8.998 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.192 -4.996 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.090 -3.606 -9.289 1.00 0.00 H new ATOM 98 N SER A 12 7.540 -6.294 -7.342 1.00 0.00 N ATOM 99 CA SER A 12 6.436 -6.862 -8.103 1.00 0.00 C ATOM 100 C SER A 12 5.270 -5.883 -8.141 1.00 0.00 C ATOM 101 O SER A 12 4.641 -5.691 -9.179 1.00 0.00 O ATOM 102 CB SER A 12 5.991 -8.190 -7.489 1.00 0.00 C ATOM 103 OG SER A 12 7.099 -9.042 -7.259 1.00 0.00 O ATOM 0 H SER A 12 7.788 -6.815 -6.501 1.00 0.00 H new ATOM 0 HA SER A 12 6.774 -7.048 -9.122 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.470 -8.004 -6.550 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.282 -8.682 -8.154 1.00 0.00 H new ATOM 0 HG SER A 12 6.788 -9.884 -6.865 1.00 0.00 H new ATOM 107 N MET A 13 5.004 -5.252 -7.000 1.00 0.00 N ATOM 108 CA MET A 13 3.924 -4.275 -6.900 1.00 0.00 C ATOM 109 C MET A 13 4.360 -2.943 -7.503 1.00 0.00 C ATOM 110 O MET A 13 3.531 -2.094 -7.829 1.00 0.00 O ATOM 111 CB MET A 13 3.507 -4.066 -5.440 1.00 0.00 C ATOM 112 CG MET A 13 3.961 -5.174 -4.502 1.00 0.00 C ATOM 113 SD MET A 13 4.197 -4.597 -2.811 1.00 0.00 S ATOM 114 CE MET A 13 2.570 -3.941 -2.453 1.00 0.00 C ATOM 0 H MET A 13 5.521 -5.400 -6.133 1.00 0.00 H new ATOM 0 HA MET A 13 3.069 -4.661 -7.455 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.914 -3.118 -5.089 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.421 -3.985 -5.391 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.223 -5.976 -4.509 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.895 -5.598 -4.871 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.421 -3.908 -1.374 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.485 -2.934 -2.862 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.812 -4.581 -2.905 1.00 0.00 H new ATOM 120 N LYS A 14 5.669 -2.773 -7.646 1.00 0.00 N ATOM 121 CA LYS A 14 6.236 -1.564 -8.202 1.00 0.00 C ATOM 122 C LYS A 14 6.083 -1.561 -9.724 1.00 0.00 C ATOM 123 O LYS A 14 6.164 -0.515 -10.369 1.00 0.00 O ATOM 124 CB LYS A 14 7.704 -1.463 -7.779 1.00 0.00 C ATOM 125 CG LYS A 14 8.597 -0.846 -8.821 1.00 0.00 C ATOM 126 CD LYS A 14 9.544 0.174 -8.220 1.00 0.00 C ATOM 127 CE LYS A 14 10.762 -0.488 -7.598 1.00 0.00 C ATOM 128 NZ LYS A 14 11.867 0.485 -7.374 1.00 0.00 N ATOM 0 H LYS A 14 6.361 -3.472 -7.378 1.00 0.00 H new ATOM 0 HA LYS A 14 5.705 -0.691 -7.822 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.769 -0.874 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.073 -2.461 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 14 9.172 -1.628 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.986 -0.368 -9.586 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.864 0.873 -8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.019 0.756 -7.462 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.482 -0.945 -6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.111 -1.291 -8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.680 -0.005 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.151 0.903 -8.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.542 1.238 -6.734 1.00 0.00 H new ATOM 134 N ASP A 15 5.843 -2.744 -10.285 1.00 0.00 N ATOM 135 CA ASP A 15 5.664 -2.891 -11.726 1.00 0.00 C ATOM 136 C ASP A 15 4.452 -2.095 -12.211 1.00 0.00 C ATOM 137 O ASP A 15 3.848 -1.338 -11.452 1.00 0.00 O ATOM 138 CB ASP A 15 5.505 -4.368 -12.090 1.00 0.00 C ATOM 139 CG ASP A 15 5.878 -4.656 -13.532 1.00 0.00 C ATOM 140 OD1 ASP A 15 7.082 -4.586 -13.859 1.00 0.00 O ATOM 141 OD2 ASP A 15 4.966 -4.953 -14.332 1.00 0.00 O ATOM 0 H ASP A 15 5.768 -3.616 -9.761 1.00 0.00 H new ATOM 0 HA ASP A 15 6.551 -2.496 -12.221 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.129 -4.970 -11.430 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.472 -4.672 -11.918 1.00 0.00 H new ATOM 144 N THR A 16 4.110 -2.266 -13.484 1.00 0.00 N ATOM 145 CA THR A 16 2.982 -1.556 -14.075 1.00 0.00 C ATOM 146 C THR A 16 1.670 -2.315 -13.887 1.00 0.00 C ATOM 147 O THR A 16 0.915 -2.043 -12.954 1.00 0.00 O ATOM 148 CB THR A 16 3.209 -1.307 -15.578 1.00 0.00 C ATOM 149 OG1 THR A 16 3.931 -2.404 -16.155 1.00 0.00 O ATOM 150 CG2 THR A 16 3.978 -0.014 -15.806 1.00 0.00 C ATOM 0 H THR A 16 4.598 -2.890 -14.126 1.00 0.00 H new ATOM 0 HA THR A 16 2.910 -0.601 -13.555 1.00 0.00 H new ATOM 0 HB THR A 16 2.234 -1.220 -16.058 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.069 -2.238 -17.111 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.125 0.138 -16.875 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.413 0.823 -15.395 1.00 0.00 H new ATOM 0 HG23 THR A 16 4.948 -0.075 -15.312 1.00 0.00 H new ATOM 158 N GLU A 17 1.399 -3.259 -14.788 1.00 0.00 N ATOM 159 CA GLU A 17 0.170 -4.046 -14.727 1.00 0.00 C ATOM 160 C GLU A 17 0.345 -5.281 -13.849 1.00 0.00 C ATOM 161 O GLU A 17 -0.581 -5.686 -13.145 1.00 0.00 O ATOM 162 CB GLU A 17 -0.260 -4.464 -16.134 1.00 0.00 C ATOM 163 CG GLU A 17 -0.407 -3.298 -17.096 1.00 0.00 C ATOM 164 CD GLU A 17 -1.118 -3.683 -18.379 1.00 0.00 C ATOM 165 OE1 GLU A 17 -0.806 -4.760 -18.931 1.00 0.00 O ATOM 166 OE2 GLU A 17 -1.986 -2.908 -18.833 1.00 0.00 O ATOM 0 H GLU A 17 2.013 -3.496 -15.567 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.605 -3.421 -14.284 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.472 -5.165 -16.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.210 -4.995 -16.072 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.959 -2.496 -16.606 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.581 -2.904 -17.337 1.00 0.00 H new ATOM 169 N LYS A 18 1.534 -5.877 -13.895 1.00 0.00 N ATOM 170 CA LYS A 18 1.823 -7.067 -13.102 1.00 0.00 C ATOM 171 C LYS A 18 1.553 -6.811 -11.624 1.00 0.00 C ATOM 172 O LYS A 18 0.973 -7.648 -10.933 1.00 0.00 O ATOM 173 CB LYS A 18 3.278 -7.497 -13.297 1.00 0.00 C ATOM 174 CG LYS A 18 3.454 -8.610 -14.317 1.00 0.00 C ATOM 175 CD LYS A 18 3.013 -9.953 -13.757 1.00 0.00 C ATOM 176 CE LYS A 18 4.204 -10.797 -13.330 1.00 0.00 C ATOM 177 NZ LYS A 18 3.940 -11.533 -12.064 1.00 0.00 N ATOM 0 H LYS A 18 2.311 -5.555 -14.472 1.00 0.00 H new ATOM 0 HA LYS A 18 1.167 -7.868 -13.442 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.864 -6.633 -13.610 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.682 -7.826 -12.340 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.876 -8.380 -15.212 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.500 -8.666 -14.619 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.354 -9.794 -12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.436 -10.490 -14.510 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.446 -11.509 -14.119 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.076 -10.155 -13.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.777 -12.096 -11.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.734 -10.854 -11.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.124 -12.165 -12.193 1.00 0.00 H new ATOM 183 N GLY A 19 1.980 -5.646 -11.146 1.00 0.00 N ATOM 184 CA GLY A 19 1.778 -5.297 -9.752 1.00 0.00 C ATOM 185 C GLY A 19 0.477 -4.558 -9.515 1.00 0.00 C ATOM 186 O GLY A 19 -0.503 -4.765 -10.229 1.00 0.00 O ATOM 0 H GLY A 19 2.462 -4.938 -11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.790 -6.205 -9.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.609 -4.679 -9.413 1.00 0.00 H new ATOM 190 N ILE A 20 0.475 -3.691 -8.507 1.00 0.00 N ATOM 191 CA ILE A 20 -0.706 -2.907 -8.166 1.00 0.00 C ATOM 192 C ILE A 20 -1.103 -1.985 -9.317 1.00 0.00 C ATOM 193 O ILE A 20 -0.482 -1.996 -10.379 1.00 0.00 O ATOM 194 CB ILE A 20 -0.463 -2.055 -6.905 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.711 -1.103 -7.131 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.204 -2.941 -5.694 1.00 0.00 C ATOM 197 CD1 ILE A 20 0.377 0.341 -6.843 1.00 0.00 C ATOM 0 H ILE A 20 1.283 -3.514 -7.910 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.514 -3.613 -7.973 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.360 -1.467 -6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.544 -1.409 -6.498 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.047 -1.191 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.035 -2.317 -4.816 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.067 -3.584 -5.522 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.676 -3.557 -5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.255 0.961 -7.024 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.435 0.663 -7.494 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.070 0.443 -5.802 1.00 0.00 H new ATOM 207 N LYS A 21 -2.143 -1.187 -9.096 1.00 0.00 N ATOM 208 CA LYS A 21 -2.625 -0.255 -10.112 1.00 0.00 C ATOM 209 C LYS A 21 -2.055 1.142 -9.877 1.00 0.00 C ATOM 210 O LYS A 21 -2.790 2.084 -9.578 1.00 0.00 O ATOM 211 CB LYS A 21 -4.151 -0.211 -10.097 1.00 0.00 C ATOM 212 CG LYS A 21 -4.796 -1.569 -10.237 1.00 0.00 C ATOM 213 CD LYS A 21 -5.965 -1.724 -9.284 1.00 0.00 C ATOM 214 CE LYS A 21 -7.269 -1.274 -9.923 1.00 0.00 C ATOM 215 NZ LYS A 21 -8.452 -1.912 -9.282 1.00 0.00 N ATOM 0 H LYS A 21 -2.669 -1.166 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.288 -0.602 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.484 0.246 -9.165 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.496 0.431 -10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.139 -1.707 -11.262 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.058 -2.347 -10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.050 -2.767 -8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.780 -1.140 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.355 -0.190 -9.846 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.256 -1.519 -10.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.321 -1.579 -9.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.383 -2.945 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.480 -1.658 -8.274 1.00 0.00 H new ATOM 221 N GLU A 22 -0.738 1.257 -10.006 1.00 0.00 N ATOM 222 CA GLU A 22 -0.043 2.523 -9.807 1.00 0.00 C ATOM 223 C GLU A 22 -0.692 3.648 -10.607 1.00 0.00 C ATOM 224 O GLU A 22 -0.578 3.702 -11.831 1.00 0.00 O ATOM 225 CB GLU A 22 1.430 2.388 -10.197 1.00 0.00 C ATOM 226 CG GLU A 22 1.651 1.611 -11.484 1.00 0.00 C ATOM 227 CD GLU A 22 2.868 2.090 -12.252 1.00 0.00 C ATOM 228 OE1 GLU A 22 2.859 3.252 -12.713 1.00 0.00 O ATOM 229 OE2 GLU A 22 3.829 1.306 -12.389 1.00 0.00 O ATOM 0 H GLU A 22 -0.125 0.479 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.113 2.776 -8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.861 3.383 -10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.967 1.894 -9.388 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.767 0.553 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.768 1.703 -12.116 1.00 0.00 H new ATOM 232 N LEU A 23 -1.371 4.543 -9.900 1.00 0.00 N ATOM 233 CA LEU A 23 -2.042 5.675 -10.530 1.00 0.00 C ATOM 234 C LEU A 23 -1.766 6.964 -9.763 1.00 0.00 C ATOM 235 O LEU A 23 -1.881 7.003 -8.538 1.00 0.00 O ATOM 236 CB LEU A 23 -3.550 5.427 -10.603 1.00 0.00 C ATOM 237 CG LEU A 23 -4.125 5.346 -12.015 1.00 0.00 C ATOM 238 CD1 LEU A 23 -3.897 3.963 -12.601 1.00 0.00 C ATOM 239 CD2 LEU A 23 -5.608 5.684 -12.010 1.00 0.00 C ATOM 0 H LEU A 23 -1.472 4.507 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.649 5.781 -11.541 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.775 4.497 -10.082 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.060 6.226 -10.065 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.609 6.076 -12.639 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.313 3.921 -13.608 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.827 3.757 -12.641 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.387 3.217 -11.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.999 5.621 -13.025 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.140 4.978 -11.372 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.749 6.696 -11.629 1.00 0.00 H new ATOM 249 N ASN A 24 -1.406 8.016 -10.490 1.00 0.00 N ATOM 250 CA ASN A 24 -1.116 9.307 -9.874 1.00 0.00 C ATOM 251 C ASN A 24 -2.365 9.885 -9.218 1.00 0.00 C ATOM 252 O ASN A 24 -3.486 9.597 -9.637 1.00 0.00 O ATOM 253 CB ASN A 24 -0.573 10.287 -10.917 1.00 0.00 C ATOM 254 CG ASN A 24 -1.645 10.772 -11.875 1.00 0.00 C ATOM 255 OD1 ASN A 24 -2.365 11.729 -11.587 1.00 0.00 O ATOM 256 ND2 ASN A 24 -1.758 10.113 -13.023 1.00 0.00 N ATOM 0 H ASN A 24 -1.308 8.001 -11.505 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.359 9.153 -9.105 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -0.130 11.144 -10.409 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.224 9.805 -11.483 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.462 10.395 -13.706 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.141 9.325 -13.222 1.00 0.00 H new ATOM 261 N LEU A 25 -2.166 10.695 -8.182 1.00 0.00 N ATOM 262 CA LEU A 25 -3.282 11.305 -7.468 1.00 0.00 C ATOM 263 C LEU A 25 -2.969 12.758 -7.119 1.00 0.00 C ATOM 264 O LEU A 25 -2.027 13.042 -6.377 1.00 0.00 O ATOM 265 CB LEU A 25 -3.589 10.512 -6.195 1.00 0.00 C ATOM 266 CG LEU A 25 -5.072 10.310 -5.889 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.409 8.823 -5.853 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.441 10.976 -4.572 1.00 0.00 C ATOM 0 H LEU A 25 -1.245 10.943 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.157 11.287 -8.117 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.115 9.533 -6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.127 11.022 -5.350 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.656 10.776 -6.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.469 8.695 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.182 8.375 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.817 8.334 -5.079 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.501 10.822 -4.371 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.851 10.540 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.235 12.045 -4.635 1.00 0.00 H new ATOM 278 N GLU A 26 -3.762 13.674 -7.668 1.00 0.00 N ATOM 279 CA GLU A 26 -3.571 15.100 -7.424 1.00 0.00 C ATOM 280 C GLU A 26 -4.442 15.576 -6.266 1.00 0.00 C ATOM 281 O GLU A 26 -5.549 15.076 -6.065 1.00 0.00 O ATOM 282 CB GLU A 26 -3.897 15.895 -8.689 1.00 0.00 C ATOM 283 CG GLU A 26 -3.605 17.382 -8.569 1.00 0.00 C ATOM 284 CD GLU A 26 -3.834 18.127 -9.869 1.00 0.00 C ATOM 285 OE1 GLU A 26 -4.934 17.988 -10.448 1.00 0.00 O ATOM 286 OE2 GLU A 26 -2.914 18.846 -10.312 1.00 0.00 O ATOM 0 H GLU A 26 -4.544 13.454 -8.285 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.528 15.266 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.324 15.487 -9.521 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.951 15.759 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.238 17.811 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.572 17.521 -8.252 1.00 0.00 H new ATOM 289 N LYS A 27 -3.934 16.544 -5.508 1.00 0.00 N ATOM 290 CA LYS A 27 -4.669 17.086 -4.368 1.00 0.00 C ATOM 291 C LYS A 27 -4.948 18.576 -4.552 1.00 0.00 C ATOM 292 O LYS A 27 -6.016 18.962 -5.030 1.00 0.00 O ATOM 293 CB LYS A 27 -3.886 16.856 -3.074 1.00 0.00 C ATOM 294 CG LYS A 27 -4.769 16.729 -1.843 1.00 0.00 C ATOM 295 CD LYS A 27 -5.015 15.274 -1.481 1.00 0.00 C ATOM 296 CE LYS A 27 -4.637 14.988 -0.037 1.00 0.00 C ATOM 297 NZ LYS A 27 -4.890 13.569 0.333 1.00 0.00 N ATOM 0 H LYS A 27 -3.019 16.968 -5.661 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.624 16.565 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.288 15.950 -3.177 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.190 17.682 -2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.299 17.239 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.722 17.226 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.066 15.032 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.437 14.630 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.583 15.220 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.206 15.642 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.619 13.415 1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.900 13.354 0.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.328 12.945 -0.280 1.00 0.00 H new ATOM 303 N ASP A 28 -3.983 19.407 -4.170 1.00 0.00 N ATOM 304 CA ASP A 28 -4.125 20.853 -4.290 1.00 0.00 C ATOM 305 C ASP A 28 -3.219 21.396 -5.390 1.00 0.00 C ATOM 306 O ASP A 28 -3.691 21.817 -6.446 1.00 0.00 O ATOM 307 CB ASP A 28 -3.794 21.530 -2.959 1.00 0.00 C ATOM 308 CG ASP A 28 -4.420 22.906 -2.837 1.00 0.00 C ATOM 309 OD1 ASP A 28 -4.054 23.796 -3.633 1.00 0.00 O ATOM 310 OD2 ASP A 28 -5.273 23.093 -1.946 1.00 0.00 O ATOM 0 H ASP A 28 -3.093 19.103 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.160 21.073 -4.553 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.142 20.902 -2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.712 21.616 -2.858 1.00 0.00 H new ATOM 313 N LYS A 29 -1.915 21.379 -5.134 1.00 0.00 N ATOM 314 CA LYS A 29 -0.938 21.865 -6.101 1.00 0.00 C ATOM 315 C LYS A 29 0.146 20.819 -6.342 1.00 0.00 C ATOM 316 O LYS A 29 1.025 21.003 -7.183 1.00 0.00 O ATOM 317 CB LYS A 29 -0.305 23.168 -5.608 1.00 0.00 C ATOM 318 CG LYS A 29 0.019 24.149 -6.723 1.00 0.00 C ATOM 319 CD LYS A 29 1.514 24.220 -6.983 1.00 0.00 C ATOM 320 CE LYS A 29 2.083 25.572 -6.585 1.00 0.00 C ATOM 321 NZ LYS A 29 2.719 25.534 -5.240 1.00 0.00 N ATOM 0 H LYS A 29 -1.510 21.033 -4.264 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.454 22.055 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.983 23.646 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.610 22.934 -5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -0.496 23.848 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.353 25.139 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.020 23.432 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.710 24.038 -8.040 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.818 25.888 -7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.287 26.316 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.094 26.475 -5.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.012 25.257 -4.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.496 24.843 -5.243 1.00 0.00 H new ATOM 327 N LYS A 30 0.074 19.721 -5.594 1.00 0.00 N ATOM 328 CA LYS A 30 1.046 18.641 -5.721 1.00 0.00 C ATOM 329 C LYS A 30 0.402 17.402 -6.332 1.00 0.00 C ATOM 330 O LYS A 30 -0.811 17.212 -6.247 1.00 0.00 O ATOM 331 CB LYS A 30 1.644 18.294 -4.354 1.00 0.00 C ATOM 332 CG LYS A 30 1.663 19.459 -3.374 1.00 0.00 C ATOM 333 CD LYS A 30 1.516 18.978 -1.939 1.00 0.00 C ATOM 334 CE LYS A 30 2.042 20.003 -0.947 1.00 0.00 C ATOM 335 NZ LYS A 30 1.465 19.809 0.412 1.00 0.00 N ATOM 0 H LYS A 30 -0.649 19.557 -4.893 1.00 0.00 H new ATOM 0 HA LYS A 30 1.843 18.982 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.074 17.474 -3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.663 17.934 -4.495 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.597 20.011 -3.481 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.855 20.150 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.466 18.774 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.055 18.039 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.128 19.932 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.805 21.006 -1.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.849 20.528 1.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.430 19.902 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.712 18.861 0.762 1.00 0.00 H new ATOM 341 N ILE A 31 1.226 16.559 -6.949 1.00 0.00 N ATOM 342 CA ILE A 31 0.746 15.333 -7.575 1.00 0.00 C ATOM 343 C ILE A 31 1.552 14.128 -7.105 1.00 0.00 C ATOM 344 O ILE A 31 2.645 13.866 -7.611 1.00 0.00 O ATOM 345 CB ILE A 31 0.818 15.416 -9.112 1.00 0.00 C ATOM 346 CG1 ILE A 31 0.127 16.686 -9.607 1.00 0.00 C ATOM 347 CG2 ILE A 31 0.185 14.182 -9.741 1.00 0.00 C ATOM 348 CD1 ILE A 31 0.391 16.985 -11.064 1.00 0.00 C ATOM 0 H ILE A 31 2.232 16.705 -7.028 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.295 15.213 -7.276 1.00 0.00 H new ATOM 0 HB ILE A 31 1.866 15.454 -9.410 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.948 16.589 -9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.461 17.531 -9.004 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.244 14.256 -10.827 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.717 13.291 -9.409 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.860 14.115 -9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.130 17.900 -11.348 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.462 17.114 -11.221 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.031 16.158 -11.676 1.00 0.00 H new ATOM 358 N PHE A 32 1.010 13.395 -6.136 1.00 0.00 N ATOM 359 CA PHE A 32 1.686 12.218 -5.603 1.00 0.00 C ATOM 360 C PHE A 32 1.864 11.161 -6.693 1.00 0.00 C ATOM 361 O PHE A 32 1.073 11.095 -7.637 1.00 0.00 O ATOM 362 CB PHE A 32 0.901 11.638 -4.424 1.00 0.00 C ATOM 363 CG PHE A 32 0.466 12.673 -3.423 1.00 0.00 C ATOM 364 CD1 PHE A 32 1.379 13.565 -2.885 1.00 0.00 C ATOM 365 CD2 PHE A 32 -0.859 12.752 -3.022 1.00 0.00 C ATOM 366 CE1 PHE A 32 0.982 14.517 -1.968 1.00 0.00 C ATOM 367 CE2 PHE A 32 -1.262 13.702 -2.104 1.00 0.00 C ATOM 368 CZ PHE A 32 -0.342 14.585 -1.576 1.00 0.00 C ATOM 0 H PHE A 32 0.107 13.595 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 32 2.672 12.520 -5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.021 11.120 -4.804 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.516 10.893 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.415 13.515 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -1.583 12.064 -3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.704 15.207 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.297 13.754 -1.799 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.656 15.328 -0.858 1.00 0.00 H new ATOM 376 N ASN A 33 2.913 10.348 -6.568 1.00 0.00 N ATOM 377 CA ASN A 33 3.198 9.311 -7.555 1.00 0.00 C ATOM 378 C ASN A 33 2.780 7.926 -7.065 1.00 0.00 C ATOM 379 O ASN A 33 3.011 7.564 -5.908 1.00 0.00 O ATOM 380 CB ASN A 33 4.688 9.309 -7.903 1.00 0.00 C ATOM 381 CG ASN A 33 4.953 9.816 -9.307 1.00 0.00 C ATOM 382 OD1 ASN A 33 5.655 10.809 -9.499 1.00 0.00 O ATOM 383 ND2 ASN A 33 4.392 9.133 -10.297 1.00 0.00 N ATOM 0 H ASN A 33 3.577 10.389 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 33 2.613 9.540 -8.446 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.227 9.930 -7.187 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.080 8.297 -7.805 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.535 9.425 -11.264 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.818 8.316 -10.091 1.00 0.00 H new ATOM 388 N HIS A 34 2.170 7.155 -7.966 1.00 0.00 N ATOM 389 CA HIS A 34 1.717 5.804 -7.650 1.00 0.00 C ATOM 390 C HIS A 34 0.915 5.789 -6.354 1.00 0.00 C ATOM 391 O HIS A 34 1.299 5.142 -5.381 1.00 0.00 O ATOM 392 CB HIS A 34 2.913 4.856 -7.540 1.00 0.00 C ATOM 393 CG HIS A 34 3.818 4.885 -8.734 1.00 0.00 C ATOM 394 ND1 HIS A 34 3.529 5.589 -9.883 1.00 0.00 N ATOM 395 CD2 HIS A 34 5.016 4.292 -8.950 1.00 0.00 C ATOM 396 CE1 HIS A 34 4.508 5.426 -10.755 1.00 0.00 C ATOM 397 NE2 HIS A 34 5.422 4.644 -10.214 1.00 0.00 N ATOM 0 H HIS A 34 1.979 7.447 -8.924 1.00 0.00 H new ATOM 0 HA HIS A 34 1.069 5.465 -8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.490 5.115 -6.652 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.547 3.839 -7.397 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.552 3.660 -8.258 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.552 5.860 -11.743 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.290 4.349 -10.662 1.00 0.00 H new ATOM 404 N CYS A 35 -0.193 6.518 -6.350 1.00 0.00 N ATOM 405 CA CYS A 35 -1.050 6.607 -5.174 1.00 0.00 C ATOM 406 C CYS A 35 -2.252 5.682 -5.292 1.00 0.00 C ATOM 407 O CYS A 35 -2.957 5.684 -6.302 1.00 0.00 O ATOM 408 CB CYS A 35 -1.512 8.046 -4.981 1.00 0.00 C ATOM 409 SG CYS A 35 -0.615 9.229 -6.008 1.00 0.00 S ATOM 0 H CYS A 35 -0.521 7.058 -7.151 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.471 6.292 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.576 8.112 -5.208 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.392 8.321 -3.933 1.00 0.00 H new ATOM 0 HG CYS A 35 0.664 9.045 -5.865 1.00 0.00 H new ATOM 413 N PHE A 36 -2.469 4.886 -4.254 1.00 0.00 N ATOM 414 CA PHE A 36 -3.575 3.941 -4.234 1.00 0.00 C ATOM 415 C PHE A 36 -4.209 3.873 -2.844 1.00 0.00 C ATOM 416 O PHE A 36 -3.955 4.727 -1.996 1.00 0.00 O ATOM 417 CB PHE A 36 -3.082 2.555 -4.667 1.00 0.00 C ATOM 418 CG PHE A 36 -1.720 2.192 -4.130 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.569 2.770 -4.650 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.590 1.265 -3.108 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.677 2.430 -4.161 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.344 0.925 -2.616 1.00 0.00 C ATOM 423 CZ PHE A 36 0.789 1.508 -3.144 1.00 0.00 C ATOM 0 H PHE A 36 -1.892 4.877 -3.413 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.337 4.282 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.802 1.806 -4.338 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.054 2.515 -5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.649 3.495 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.473 0.803 -2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.563 2.887 -4.576 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.257 0.203 -1.818 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.763 1.242 -2.760 1.00 0.00 H new ATOM 431 N THR A 37 -5.034 2.853 -2.619 1.00 0.00 N ATOM 432 CA THR A 37 -5.701 2.677 -1.334 1.00 0.00 C ATOM 433 C THR A 37 -5.003 1.610 -0.494 1.00 0.00 C ATOM 434 O THR A 37 -4.026 1.002 -0.936 1.00 0.00 O ATOM 435 CB THR A 37 -7.181 2.291 -1.515 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.332 1.443 -2.661 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.046 3.533 -1.678 1.00 0.00 C ATOM 0 H THR A 37 -5.256 2.137 -3.310 1.00 0.00 H new ATOM 0 HA THR A 37 -5.647 3.634 -0.816 1.00 0.00 H new ATOM 0 HB THR A 37 -7.506 1.754 -0.624 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.276 1.201 -2.767 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.087 3.237 -1.804 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.952 4.161 -0.792 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.719 4.092 -2.555 1.00 0.00 H new ATOM 445 N GLY A 38 -5.506 1.393 0.718 1.00 0.00 N ATOM 446 CA GLY A 38 -4.914 0.404 1.605 1.00 0.00 C ATOM 447 C GLY A 38 -5.413 -1.004 1.339 1.00 0.00 C ATOM 448 O GLY A 38 -4.619 -1.931 1.195 1.00 0.00 O ATOM 0 H GLY A 38 -6.313 1.884 1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.830 0.427 1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.134 0.673 2.638 1.00 0.00 H new ATOM 452 N ASN A 39 -6.731 -1.162 1.279 1.00 0.00 N ATOM 453 CA ASN A 39 -7.336 -2.468 1.033 1.00 0.00 C ATOM 454 C ASN A 39 -6.937 -3.012 -0.338 1.00 0.00 C ATOM 455 O ASN A 39 -7.188 -4.176 -0.651 1.00 0.00 O ATOM 456 CB ASN A 39 -8.860 -2.375 1.138 1.00 0.00 C ATOM 457 CG ASN A 39 -9.498 -1.826 -0.124 1.00 0.00 C ATOM 458 OD1 ASN A 39 -10.251 -2.521 -0.805 1.00 0.00 O ATOM 459 ND2 ASN A 39 -9.199 -0.571 -0.439 1.00 0.00 N ATOM 0 H ASN A 39 -7.402 -0.403 1.397 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.967 -3.157 1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.267 -3.364 1.346 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.124 -1.737 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.599 -0.146 -1.276 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.569 -0.032 0.156 1.00 0.00 H new ATOM 464 N CYS A 40 -6.314 -2.162 -1.150 1.00 0.00 N ATOM 465 CA CYS A 40 -5.880 -2.553 -2.486 1.00 0.00 C ATOM 466 C CYS A 40 -4.708 -3.525 -2.416 1.00 0.00 C ATOM 467 O CYS A 40 -4.724 -4.578 -3.053 1.00 0.00 O ATOM 468 CB CYS A 40 -5.485 -1.318 -3.299 1.00 0.00 C ATOM 469 SG CYS A 40 -5.417 -1.599 -5.084 1.00 0.00 S ATOM 0 H CYS A 40 -6.098 -1.196 -0.904 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.714 -3.053 -2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.198 -0.519 -3.095 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.510 -0.970 -2.960 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.077 -0.497 -5.684 1.00 0.00 H new ATOM 473 N VAL A 41 -3.690 -3.164 -1.637 1.00 0.00 N ATOM 474 CA VAL A 41 -2.510 -4.006 -1.483 1.00 0.00 C ATOM 475 C VAL A 41 -2.869 -5.350 -0.863 1.00 0.00 C ATOM 476 O VAL A 41 -2.307 -6.382 -1.227 1.00 0.00 O ATOM 477 CB VAL A 41 -1.442 -3.327 -0.606 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.203 -4.202 -0.494 1.00 0.00 C ATOM 479 CG2 VAL A 41 -1.086 -1.962 -1.167 1.00 0.00 C ATOM 0 H VAL A 41 -3.660 -2.295 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.106 -4.162 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.853 -3.192 0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.539 -3.704 0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.472 -5.158 -0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.213 -4.372 -1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.330 -1.495 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.695 -2.075 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.977 -1.335 -1.190 1.00 0.00 H new ATOM 489 N ILE A 42 -3.804 -5.331 0.081 1.00 0.00 N ATOM 490 CA ILE A 42 -4.233 -6.551 0.752 1.00 0.00 C ATOM 491 C ILE A 42 -4.857 -7.528 -0.234 1.00 0.00 C ATOM 492 O ILE A 42 -4.523 -8.712 -0.242 1.00 0.00 O ATOM 493 CB ILE A 42 -5.245 -6.256 1.879 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.802 -5.045 2.705 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.413 -7.475 2.768 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.458 -5.219 3.383 1.00 0.00 C ATOM 0 H ILE A 42 -4.278 -4.485 0.398 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.340 -6.998 1.190 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.207 -6.021 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.759 -4.171 2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.557 -4.841 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.130 -7.253 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.778 -8.312 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.453 -7.737 3.212 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.216 -4.319 3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.500 -6.072 4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.690 -5.392 2.629 1.00 0.00 H new ATOM 506 N ASP A 43 -5.766 -7.028 -1.066 1.00 0.00 N ATOM 507 CA ASP A 43 -6.436 -7.863 -2.057 1.00 0.00 C ATOM 508 C ASP A 43 -5.446 -8.381 -3.097 1.00 0.00 C ATOM 509 O ASP A 43 -5.446 -9.565 -3.426 1.00 0.00 O ATOM 510 CB ASP A 43 -7.553 -7.077 -2.745 1.00 0.00 C ATOM 511 CG ASP A 43 -8.929 -7.456 -2.231 1.00 0.00 C ATOM 512 OD1 ASP A 43 -9.187 -7.260 -1.025 1.00 0.00 O ATOM 513 OD2 ASP A 43 -9.748 -7.951 -3.034 1.00 0.00 O ATOM 0 H ASP A 43 -6.055 -6.050 -1.074 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.869 -8.719 -1.539 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.391 -6.010 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.509 -7.253 -3.820 1.00 0.00 H new ATOM 516 N TRP A 44 -4.607 -7.485 -3.611 1.00 0.00 N ATOM 517 CA TRP A 44 -3.614 -7.851 -4.618 1.00 0.00 C ATOM 518 C TRP A 44 -2.696 -8.960 -4.104 1.00 0.00 C ATOM 519 O TRP A 44 -2.528 -9.990 -4.757 1.00 0.00 O ATOM 520 CB TRP A 44 -2.784 -6.627 -5.014 1.00 0.00 C ATOM 521 CG TRP A 44 -1.776 -6.911 -6.085 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.978 -6.870 -7.435 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.405 -7.281 -5.897 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.821 -7.193 -8.096 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.160 -7.451 -7.175 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.399 -7.487 -4.773 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.493 -7.814 -7.359 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.720 -7.849 -4.957 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.256 -8.010 -6.240 1.00 0.00 C ATOM 0 H TRP A 44 -4.595 -6.500 -3.347 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.144 -8.222 -5.495 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.454 -5.839 -5.356 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.268 -6.246 -4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.914 -6.619 -7.913 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.709 -7.234 -9.109 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.004 -7.366 -3.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.909 -7.936 -8.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.350 -8.011 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.292 -8.295 -6.349 1.00 0.00 H new ATOM 538 N LEU A 45 -2.109 -8.740 -2.932 1.00 0.00 N ATOM 539 CA LEU A 45 -1.211 -9.718 -2.328 1.00 0.00 C ATOM 540 C LEU A 45 -1.933 -11.043 -2.096 1.00 0.00 C ATOM 541 O LEU A 45 -1.361 -12.117 -2.290 1.00 0.00 O ATOM 542 CB LEU A 45 -0.660 -9.185 -1.004 1.00 0.00 C ATOM 543 CG LEU A 45 0.844 -8.910 -0.990 1.00 0.00 C ATOM 544 CD1 LEU A 45 1.132 -7.498 -1.469 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.412 -9.126 0.403 1.00 0.00 C ATOM 0 H LEU A 45 -2.239 -7.892 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.382 -9.890 -3.015 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.184 -8.262 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.889 -9.904 -0.217 1.00 0.00 H new ATOM 0 HG LEU A 45 1.328 -9.610 -1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.207 -7.320 -1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.760 -7.376 -2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.636 -6.783 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.483 -8.926 0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.922 -8.450 1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.238 -10.157 0.711 1.00 0.00 H new ATOM 555 N VAL A 46 -3.190 -10.954 -1.676 1.00 0.00 N ATOM 556 CA VAL A 46 -4.001 -12.137 -1.411 1.00 0.00 C ATOM 557 C VAL A 46 -4.270 -12.916 -2.699 1.00 0.00 C ATOM 558 O VAL A 46 -4.360 -14.145 -2.685 1.00 0.00 O ATOM 559 CB VAL A 46 -5.335 -11.748 -0.731 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.392 -12.831 -0.899 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.111 -11.450 0.743 1.00 0.00 C ATOM 0 H VAL A 46 -3.672 -10.070 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.441 -12.780 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.705 -10.849 -1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.314 -12.519 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.583 -12.991 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.037 -13.759 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.059 -11.178 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.706 -12.334 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.407 -10.624 0.844 1.00 0.00 H new ATOM 571 N SER A 47 -4.386 -12.197 -3.813 1.00 0.00 N ATOM 572 CA SER A 47 -4.636 -12.829 -5.105 1.00 0.00 C ATOM 573 C SER A 47 -3.395 -13.565 -5.598 1.00 0.00 C ATOM 574 O SER A 47 -3.471 -14.389 -6.509 1.00 0.00 O ATOM 575 CB SER A 47 -5.071 -11.790 -6.137 1.00 0.00 C ATOM 576 OG SER A 47 -6.008 -10.882 -5.587 1.00 0.00 O ATOM 0 H SER A 47 -4.311 -11.180 -3.847 1.00 0.00 H new ATOM 0 HA SER A 47 -5.440 -13.553 -4.974 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.199 -11.243 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.510 -12.292 -6.999 1.00 0.00 H new ATOM 0 HG SER A 47 -5.551 -10.276 -4.967 1.00 0.00 H new ATOM 580 N ASN A 48 -2.252 -13.262 -4.988 1.00 0.00 N ATOM 581 CA ASN A 48 -0.994 -13.896 -5.364 1.00 0.00 C ATOM 582 C ASN A 48 -0.633 -15.009 -4.385 1.00 0.00 C ATOM 583 O ASN A 48 -1.448 -15.402 -3.551 1.00 0.00 O ATOM 584 CB ASN A 48 0.129 -12.858 -5.413 1.00 0.00 C ATOM 585 CG ASN A 48 0.644 -12.629 -6.820 1.00 0.00 C ATOM 586 OD1 ASN A 48 -0.053 -12.065 -7.664 1.00 0.00 O ATOM 587 ND2 ASN A 48 1.871 -13.067 -7.082 1.00 0.00 N ATOM 0 H ASN A 48 -2.172 -12.582 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.117 -14.334 -6.354 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.234 -11.915 -5.004 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.951 -13.186 -4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.270 -12.941 -8.012 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.414 -13.529 -6.353 1.00 0.00 H new ATOM 592 N GLN A 49 0.592 -15.512 -4.494 1.00 0.00 N ATOM 593 CA GLN A 49 1.060 -16.581 -3.618 1.00 0.00 C ATOM 594 C GLN A 49 1.653 -16.014 -2.333 1.00 0.00 C ATOM 595 O GLN A 49 2.034 -16.762 -1.433 1.00 0.00 O ATOM 596 CB GLN A 49 2.100 -17.440 -4.339 1.00 0.00 C ATOM 597 CG GLN A 49 2.037 -18.911 -3.964 1.00 0.00 C ATOM 598 CD GLN A 49 3.271 -19.677 -4.397 1.00 0.00 C ATOM 599 OE1 GLN A 49 4.270 -19.724 -3.680 1.00 0.00 O ATOM 600 NE2 GLN A 49 3.207 -20.284 -5.576 1.00 0.00 N ATOM 0 H GLN A 49 1.279 -15.197 -5.180 1.00 0.00 H new ATOM 0 HA GLN A 49 0.204 -17.202 -3.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.958 -17.341 -5.415 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.095 -17.058 -4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.918 -19.002 -2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.156 -19.361 -4.421 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.358 -20.219 -6.138 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.007 -20.816 -5.920 1.00 0.00 H new ATOM 605 N SER A 50 1.726 -14.689 -2.254 1.00 0.00 N ATOM 606 CA SER A 50 2.269 -14.021 -1.076 1.00 0.00 C ATOM 607 C SER A 50 1.446 -14.358 0.162 1.00 0.00 C ATOM 608 O SER A 50 1.970 -14.878 1.148 1.00 0.00 O ATOM 609 CB SER A 50 2.296 -12.506 -1.288 1.00 0.00 C ATOM 610 OG SER A 50 1.528 -12.134 -2.420 1.00 0.00 O ATOM 0 H SER A 50 1.416 -14.057 -2.992 1.00 0.00 H new ATOM 0 HA SER A 50 3.288 -14.376 -0.924 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.908 -12.005 -0.401 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.326 -12.172 -1.418 1.00 0.00 H new ATOM 0 HG SER A 50 0.575 -12.171 -2.195 1.00 0.00 H new ATOM 614 N VAL A 51 0.152 -14.065 0.098 1.00 0.00 N ATOM 615 CA VAL A 51 -0.753 -14.341 1.205 1.00 0.00 C ATOM 616 C VAL A 51 -2.038 -14.986 0.711 1.00 0.00 C ATOM 617 O VAL A 51 -2.246 -15.140 -0.493 1.00 0.00 O ATOM 618 CB VAL A 51 -1.114 -13.060 1.983 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.088 -12.547 2.761 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.640 -11.991 1.037 1.00 0.00 C ATOM 0 H VAL A 51 -0.294 -13.635 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.227 -15.025 1.871 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.901 -13.303 2.697 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.188 -11.643 3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.415 -13.308 3.469 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.900 -12.322 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.890 -11.094 1.604 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.876 -11.752 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.532 -12.360 0.531 1.00 0.00 H new ATOM 630 N ARG A 52 -2.896 -15.357 1.649 1.00 0.00 N ATOM 631 CA ARG A 52 -4.167 -15.984 1.322 1.00 0.00 C ATOM 632 C ARG A 52 -5.311 -15.227 1.982 1.00 0.00 C ATOM 633 O ARG A 52 -6.234 -14.766 1.315 1.00 0.00 O ATOM 634 CB ARG A 52 -4.172 -17.443 1.780 1.00 0.00 C ATOM 635 CG ARG A 52 -4.846 -18.389 0.802 1.00 0.00 C ATOM 636 CD ARG A 52 -4.015 -19.640 0.574 1.00 0.00 C ATOM 637 NE ARG A 52 -4.203 -20.186 -0.766 1.00 0.00 N ATOM 638 CZ ARG A 52 -3.206 -20.438 -1.610 1.00 0.00 C ATOM 639 NH1 ARG A 52 -1.952 -20.199 -1.249 1.00 0.00 N ATOM 640 NH2 ARG A 52 -3.462 -20.932 -2.813 1.00 0.00 N ATOM 0 H ARG A 52 -2.733 -15.234 2.648 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.301 -15.955 0.241 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.144 -17.769 1.936 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.678 -17.510 2.743 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.828 -18.668 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.005 -17.879 -0.148 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.961 -19.407 0.726 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.285 -20.394 1.314 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.155 -20.386 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.751 -19.821 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.189 -20.393 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.425 -21.120 -3.093 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.696 -21.125 -3.459 1.00 0.00 H new ATOM 648 N ASN A 53 -5.238 -15.102 3.302 1.00 0.00 N ATOM 649 CA ASN A 53 -6.263 -14.395 4.063 1.00 0.00 C ATOM 650 C ASN A 53 -6.017 -12.889 4.052 1.00 0.00 C ATOM 651 O ASN A 53 -4.943 -12.427 3.666 1.00 0.00 O ATOM 652 CB ASN A 53 -6.312 -14.910 5.504 1.00 0.00 C ATOM 653 CG ASN A 53 -5.799 -16.331 5.631 1.00 0.00 C ATOM 654 OD1 ASN A 53 -4.924 -16.616 6.450 1.00 0.00 O ATOM 655 ND2 ASN A 53 -6.338 -17.231 4.818 1.00 0.00 N ATOM 0 H ASN A 53 -4.479 -15.481 3.869 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.224 -14.587 3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.718 -14.255 6.141 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.338 -14.864 5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.030 -18.203 4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.060 -16.951 4.155 1.00 0.00 H new ATOM 660 N ARG A 54 -7.017 -12.131 4.493 1.00 0.00 N ATOM 661 CA ARG A 54 -6.911 -10.678 4.549 1.00 0.00 C ATOM 662 C ARG A 54 -5.940 -10.252 5.645 1.00 0.00 C ATOM 663 O ARG A 54 -5.164 -9.311 5.471 1.00 0.00 O ATOM 664 CB ARG A 54 -8.285 -10.057 4.800 1.00 0.00 C ATOM 665 CG ARG A 54 -8.522 -8.775 4.022 1.00 0.00 C ATOM 666 CD ARG A 54 -9.346 -7.779 4.824 1.00 0.00 C ATOM 667 NE ARG A 54 -10.366 -8.437 5.636 1.00 0.00 N ATOM 668 CZ ARG A 54 -11.545 -8.832 5.165 1.00 0.00 C ATOM 669 NH1 ARG A 54 -11.852 -8.638 3.888 1.00 0.00 N ATOM 670 NH2 ARG A 54 -12.419 -9.424 5.968 1.00 0.00 N ATOM 0 H ARG A 54 -7.911 -12.500 4.817 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.531 -10.325 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.056 -10.781 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.393 -9.851 5.865 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.564 -8.327 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.035 -9.005 3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.686 -7.201 5.471 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.824 -7.074 4.144 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.162 -8.603 6.622 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.183 -8.185 3.266 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.757 -8.942 3.529 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.187 -9.577 6.949 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.323 -9.726 5.604 1.00 0.00 H new ATOM 678 N GLN A 55 -5.987 -10.957 6.772 1.00 0.00 N ATOM 679 CA GLN A 55 -5.111 -10.658 7.895 1.00 0.00 C ATOM 680 C GLN A 55 -3.657 -10.927 7.525 1.00 0.00 C ATOM 681 O GLN A 55 -2.755 -10.198 7.939 1.00 0.00 O ATOM 682 CB GLN A 55 -5.504 -11.492 9.108 1.00 0.00 C ATOM 683 CG GLN A 55 -5.541 -10.701 10.406 1.00 0.00 C ATOM 684 CD GLN A 55 -5.740 -11.586 11.620 1.00 0.00 C ATOM 685 OE1 GLN A 55 -5.023 -12.569 11.811 1.00 0.00 O ATOM 686 NE2 GLN A 55 -6.719 -11.242 12.450 1.00 0.00 N ATOM 0 H GLN A 55 -6.623 -11.739 6.929 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.218 -9.602 8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.486 -11.932 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.799 -12.317 9.215 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.610 -10.144 10.515 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.347 -9.969 10.358 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.289 -10.419 12.253 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.900 -11.801 13.284 1.00 0.00 H new ATOM 691 N GLU A 56 -3.440 -11.974 6.736 1.00 0.00 N ATOM 692 CA GLU A 56 -2.100 -12.340 6.300 1.00 0.00 C ATOM 693 C GLU A 56 -1.509 -11.252 5.411 1.00 0.00 C ATOM 694 O GLU A 56 -0.338 -10.895 5.541 1.00 0.00 O ATOM 695 CB GLU A 56 -2.130 -13.671 5.545 1.00 0.00 C ATOM 696 CG GLU A 56 -1.939 -14.884 6.441 1.00 0.00 C ATOM 697 CD GLU A 56 -1.405 -16.084 5.686 1.00 0.00 C ATOM 698 OE1 GLU A 56 -0.172 -16.168 5.502 1.00 0.00 O ATOM 699 OE2 GLU A 56 -2.217 -16.940 5.280 1.00 0.00 O ATOM 0 H GLU A 56 -4.178 -12.585 6.385 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.472 -12.449 7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.083 -13.762 5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.349 -13.665 4.784 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.251 -14.631 7.248 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.891 -15.144 6.903 1.00 0.00 H new ATOM 702 N GLY A 57 -2.329 -10.720 4.508 1.00 0.00 N ATOM 703 CA GLY A 57 -1.869 -9.673 3.618 1.00 0.00 C ATOM 704 C GLY A 57 -1.715 -8.346 4.331 1.00 0.00 C ATOM 705 O GLY A 57 -1.019 -7.450 3.851 1.00 0.00 O ATOM 0 H GLY A 57 -3.302 -10.996 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.913 -9.963 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.574 -9.562 2.795 1.00 0.00 H new ATOM 709 N LEU A 58 -2.365 -8.220 5.485 1.00 0.00 N ATOM 710 CA LEU A 58 -2.299 -6.996 6.272 1.00 0.00 C ATOM 711 C LEU A 58 -0.973 -6.903 7.020 1.00 0.00 C ATOM 712 O LEU A 58 -0.335 -5.850 7.038 1.00 0.00 O ATOM 713 CB LEU A 58 -3.465 -6.935 7.263 1.00 0.00 C ATOM 714 CG LEU A 58 -4.277 -5.637 7.233 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.472 -5.733 8.169 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.401 -4.449 7.608 1.00 0.00 C ATOM 0 H LEU A 58 -2.944 -8.953 5.895 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.371 -6.150 5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.136 -7.770 7.062 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.073 -7.077 8.270 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.645 -5.487 6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.037 -4.802 8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.113 -6.558 7.858 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.124 -5.908 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.995 -3.536 7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.003 -4.593 8.612 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.577 -4.366 6.899 1.00 0.00 H new ATOM 726 N MET A 59 -0.563 -8.011 7.635 1.00 0.00 N ATOM 727 CA MET A 59 0.692 -8.048 8.380 1.00 0.00 C ATOM 728 C MET A 59 1.882 -7.903 7.437 1.00 0.00 C ATOM 729 O MET A 59 2.848 -7.204 7.745 1.00 0.00 O ATOM 730 CB MET A 59 0.806 -9.345 9.184 1.00 0.00 C ATOM 731 CG MET A 59 0.387 -10.576 8.406 1.00 0.00 C ATOM 732 SD MET A 59 1.354 -12.037 8.833 1.00 0.00 S ATOM 733 CE MET A 59 2.995 -11.517 8.336 1.00 0.00 C ATOM 0 H MET A 59 -1.079 -8.891 7.632 1.00 0.00 H new ATOM 0 HA MET A 59 0.698 -7.209 9.076 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.837 -9.468 9.516 1.00 0.00 H new ATOM 0 HB3 MET A 59 0.190 -9.264 10.080 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.668 -10.777 8.594 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.489 -10.378 7.339 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.474 -12.316 7.770 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.921 -10.625 7.714 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.590 -11.293 9.222 1.00 0.00 H new ATOM 739 N ILE A 60 1.802 -8.555 6.280 1.00 0.00 N ATOM 740 CA ILE A 60 2.870 -8.480 5.290 1.00 0.00 C ATOM 741 C ILE A 60 3.013 -7.051 4.774 1.00 0.00 C ATOM 742 O ILE A 60 4.102 -6.475 4.802 1.00 0.00 O ATOM 743 CB ILE A 60 2.611 -9.433 4.102 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.618 -10.893 4.574 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.649 -9.218 3.005 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.975 -11.388 5.028 1.00 0.00 C ATOM 0 H ILE A 60 1.012 -9.139 6.007 1.00 0.00 H new ATOM 0 HA ILE A 60 3.794 -8.787 5.781 1.00 0.00 H new ATOM 0 HB ILE A 60 1.627 -9.210 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.910 -11.002 5.395 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.264 -11.528 3.762 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.450 -9.898 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.595 -8.189 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.645 -9.413 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.895 -12.428 5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.684 -11.314 4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.324 -10.779 5.862 1.00 0.00 H new ATOM 756 N ALA A 61 1.900 -6.481 4.320 1.00 0.00 N ATOM 757 CA ALA A 61 1.898 -5.114 3.815 1.00 0.00 C ATOM 758 C ALA A 61 2.362 -4.152 4.899 1.00 0.00 C ATOM 759 O ALA A 61 2.953 -3.110 4.612 1.00 0.00 O ATOM 760 CB ALA A 61 0.510 -4.732 3.322 1.00 0.00 C ATOM 0 H ALA A 61 0.992 -6.944 4.292 1.00 0.00 H new ATOM 0 HA ALA A 61 2.590 -5.051 2.975 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.526 -3.708 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.210 -5.407 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.202 -4.807 4.144 1.00 0.00 H new ATOM 766 N SER A 62 2.099 -4.519 6.152 1.00 0.00 N ATOM 767 CA SER A 62 2.501 -3.702 7.288 1.00 0.00 C ATOM 768 C SER A 62 4.019 -3.598 7.343 1.00 0.00 C ATOM 769 O SER A 62 4.570 -2.530 7.604 1.00 0.00 O ATOM 770 CB SER A 62 1.966 -4.299 8.592 1.00 0.00 C ATOM 771 OG SER A 62 2.676 -3.798 9.712 1.00 0.00 O ATOM 0 H SER A 62 1.609 -5.378 6.403 1.00 0.00 H new ATOM 0 HA SER A 62 2.081 -2.704 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.906 -4.065 8.695 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.051 -5.385 8.560 1.00 0.00 H new ATOM 0 HG SER A 62 2.314 -4.193 10.532 1.00 0.00 H new ATOM 775 N SER A 63 4.688 -4.718 7.079 1.00 0.00 N ATOM 776 CA SER A 63 6.144 -4.754 7.081 1.00 0.00 C ATOM 777 C SER A 63 6.690 -3.894 5.948 1.00 0.00 C ATOM 778 O SER A 63 7.750 -3.280 6.075 1.00 0.00 O ATOM 779 CB SER A 63 6.648 -6.189 6.932 1.00 0.00 C ATOM 780 OG SER A 63 7.513 -6.539 7.999 1.00 0.00 O ATOM 0 H SER A 63 4.244 -5.610 6.862 1.00 0.00 H new ATOM 0 HA SER A 63 6.496 -4.358 8.034 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.801 -6.875 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.174 -6.297 5.983 1.00 0.00 H new ATOM 0 HG SER A 63 7.820 -7.462 7.882 1.00 0.00 H new ATOM 784 N LEU A 64 5.949 -3.851 4.843 1.00 0.00 N ATOM 785 CA LEU A 64 6.346 -3.058 3.685 1.00 0.00 C ATOM 786 C LEU A 64 6.528 -1.596 4.077 1.00 0.00 C ATOM 787 O LEU A 64 7.615 -1.035 3.945 1.00 0.00 O ATOM 788 CB LEU A 64 5.297 -3.171 2.575 1.00 0.00 C ATOM 789 CG LEU A 64 5.695 -4.047 1.387 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.519 -4.891 0.924 1.00 0.00 C ATOM 791 CD2 LEU A 64 6.219 -3.188 0.247 1.00 0.00 C ATOM 0 H LEU A 64 5.071 -4.356 4.726 1.00 0.00 H new ATOM 0 HA LEU A 64 7.296 -3.445 3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.377 -3.567 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.071 -2.170 2.208 1.00 0.00 H new ATOM 0 HG LEU A 64 6.491 -4.719 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.824 -5.507 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.189 -5.534 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.700 -4.239 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.498 -3.827 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.443 -2.491 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.092 -2.629 0.584 1.00 0.00 H new ATOM 801 N LEU A 65 5.450 -0.988 4.568 1.00 0.00 N ATOM 802 CA LEU A 65 5.479 0.407 4.991 1.00 0.00 C ATOM 803 C LEU A 65 6.398 0.582 6.197 1.00 0.00 C ATOM 804 O LEU A 65 6.991 1.644 6.389 1.00 0.00 O ATOM 805 CB LEU A 65 4.060 0.884 5.324 1.00 0.00 C ATOM 806 CG LEU A 65 3.972 2.145 6.190 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.533 3.350 5.449 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.532 2.400 6.609 1.00 0.00 C ATOM 0 H LEU A 65 4.544 -1.443 4.682 1.00 0.00 H new ATOM 0 HA LEU A 65 5.870 1.013 4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.529 1.069 4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.535 0.077 5.835 1.00 0.00 H new ATOM 0 HG LEU A 65 4.572 1.988 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.460 4.233 6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.578 3.169 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.963 3.512 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.486 3.299 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.913 2.535 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.164 1.549 7.182 1.00 0.00 H new ATOM 818 N ASN A 66 6.515 -0.471 7.002 1.00 0.00 N ATOM 819 CA ASN A 66 7.367 -0.437 8.186 1.00 0.00 C ATOM 820 C ASN A 66 8.813 -0.158 7.798 1.00 0.00 C ATOM 821 O ASN A 66 9.518 0.586 8.479 1.00 0.00 O ATOM 822 CB ASN A 66 7.278 -1.761 8.946 1.00 0.00 C ATOM 823 CG ASN A 66 7.251 -1.567 10.450 1.00 0.00 C ATOM 824 OD1 ASN A 66 7.076 -0.452 10.942 1.00 0.00 O ATOM 825 ND2 ASN A 66 7.424 -2.657 11.190 1.00 0.00 N ATOM 0 H ASN A 66 6.031 -1.357 6.856 1.00 0.00 H new ATOM 0 HA ASN A 66 7.017 0.367 8.834 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.380 -2.295 8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.129 -2.387 8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.415 -2.589 12.208 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.566 -3.561 10.740 1.00 0.00 H new ATOM 830 N GLU A 67 9.247 -0.759 6.694 1.00 0.00 N ATOM 831 CA GLU A 67 10.607 -0.575 6.206 1.00 0.00 C ATOM 832 C GLU A 67 10.743 0.759 5.484 1.00 0.00 C ATOM 833 O GLU A 67 11.852 1.246 5.261 1.00 0.00 O ATOM 834 CB GLU A 67 10.995 -1.719 5.268 1.00 0.00 C ATOM 835 CG GLU A 67 10.951 -3.089 5.926 1.00 0.00 C ATOM 836 CD GLU A 67 11.912 -3.207 7.093 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.070 -2.756 6.956 1.00 0.00 O ATOM 838 OE2 GLU A 67 11.509 -3.750 8.143 1.00 0.00 O ATOM 0 H GLU A 67 8.674 -1.378 6.121 1.00 0.00 H new ATOM 0 HA GLU A 67 11.280 -0.577 7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.324 -1.716 4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.001 -1.540 4.888 1.00 0.00 H new ATOM 0 HG2 GLU A 67 9.937 -3.289 6.273 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.190 -3.852 5.185 1.00 0.00 H new ATOM 841 N GLY A 68 9.606 1.343 5.118 1.00 0.00 N ATOM 842 CA GLY A 68 9.617 2.615 4.420 1.00 0.00 C ATOM 843 C GLY A 68 9.297 2.467 2.947 1.00 0.00 C ATOM 844 O GLY A 68 9.423 3.420 2.178 1.00 0.00 O ATOM 0 H GLY A 68 8.678 0.958 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.892 3.286 4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.597 3.079 4.531 1.00 0.00 H new ATOM 848 N TYR A 69 8.880 1.267 2.556 1.00 0.00 N ATOM 849 CA TYR A 69 8.538 0.989 1.166 1.00 0.00 C ATOM 850 C TYR A 69 7.319 1.798 0.737 1.00 0.00 C ATOM 851 O TYR A 69 7.326 2.440 -0.311 1.00 0.00 O ATOM 852 CB TYR A 69 8.268 -0.504 0.977 1.00 0.00 C ATOM 853 CG TYR A 69 9.523 -1.346 0.907 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.484 -1.120 -0.072 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.747 -2.368 1.821 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.631 -1.888 -0.137 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.891 -3.141 1.762 1.00 0.00 C ATOM 858 CZ TYR A 69 11.829 -2.896 0.782 1.00 0.00 C ATOM 859 OH TYR A 69 12.970 -3.665 0.719 1.00 0.00 O ATOM 0 H TYR A 69 8.771 0.470 3.184 1.00 0.00 H new ATOM 0 HA TYR A 69 9.383 1.280 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.649 -0.859 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.694 -0.647 0.062 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.332 -0.331 -0.794 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.015 -2.562 2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.368 -1.699 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 69 11.049 -3.933 2.480 1.00 0.00 H new ATOM 0 HH TYR A 69 12.956 -4.330 1.439 1.00 0.00 H new ATOM 867 N LEU A 70 6.272 1.759 1.558 1.00 0.00 N ATOM 868 CA LEU A 70 5.042 2.487 1.269 1.00 0.00 C ATOM 869 C LEU A 70 5.054 3.856 1.941 1.00 0.00 C ATOM 870 O LEU A 70 5.932 4.154 2.751 1.00 0.00 O ATOM 871 CB LEU A 70 3.829 1.690 1.757 1.00 0.00 C ATOM 872 CG LEU A 70 3.008 0.990 0.669 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.235 2.010 -0.149 1.00 0.00 C ATOM 874 CD2 LEU A 70 3.904 0.147 -0.228 1.00 0.00 C ATOM 0 H LEU A 70 6.252 1.230 2.430 1.00 0.00 H new ATOM 0 HA LEU A 70 4.975 2.625 0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.174 0.937 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.171 2.365 2.304 1.00 0.00 H new ATOM 0 HG LEU A 70 2.294 0.324 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.657 1.497 -0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.560 2.564 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.933 2.702 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.299 -0.340 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.646 0.787 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.410 -0.610 0.371 1.00 0.00 H new ATOM 884 N GLN A 71 4.068 4.682 1.604 1.00 0.00 N ATOM 885 CA GLN A 71 3.958 6.016 2.184 1.00 0.00 C ATOM 886 C GLN A 71 2.496 6.363 2.464 1.00 0.00 C ATOM 887 O GLN A 71 1.676 6.406 1.546 1.00 0.00 O ATOM 888 CB GLN A 71 4.578 7.058 1.251 1.00 0.00 C ATOM 889 CG GLN A 71 5.194 8.237 1.987 1.00 0.00 C ATOM 890 CD GLN A 71 6.655 8.447 1.642 1.00 0.00 C ATOM 891 OE1 GLN A 71 7.363 7.504 1.284 1.00 0.00 O ATOM 892 NE2 GLN A 71 7.115 9.690 1.746 1.00 0.00 N ATOM 0 H GLN A 71 3.335 4.451 0.933 1.00 0.00 H new ATOM 0 HA GLN A 71 4.503 6.023 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.344 6.579 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.812 7.425 0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.635 9.141 1.747 1.00 0.00 H new ATOM 0 HG3 GLN A 71 5.098 8.079 3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.493 10.441 2.046 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.090 9.893 1.525 1.00 0.00 H new ATOM 897 N PRO A 72 2.146 6.611 3.742 1.00 0.00 N ATOM 898 CA PRO A 72 0.776 6.944 4.134 1.00 0.00 C ATOM 899 C PRO A 72 0.373 8.355 3.714 1.00 0.00 C ATOM 900 O PRO A 72 1.073 9.326 4.004 1.00 0.00 O ATOM 901 CB PRO A 72 0.787 6.831 5.668 1.00 0.00 C ATOM 902 CG PRO A 72 2.113 6.244 6.031 1.00 0.00 C ATOM 903 CD PRO A 72 3.043 6.579 4.904 1.00 0.00 C ATOM 0 HA PRO A 72 0.056 6.283 3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 72 0.653 7.808 6.132 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -0.028 6.198 6.018 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.477 6.657 6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.037 5.165 6.165 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.538 7.537 5.059 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.827 5.830 4.790 1.00 0.00 H new ATOM 905 N ALA A 73 -0.766 8.458 3.035 1.00 0.00 N ATOM 906 CA ALA A 73 -1.277 9.744 2.578 1.00 0.00 C ATOM 907 C ALA A 73 -2.644 10.031 3.191 1.00 0.00 C ATOM 908 O ALA A 73 -3.431 9.114 3.436 1.00 0.00 O ATOM 909 CB ALA A 73 -1.360 9.775 1.059 1.00 0.00 C ATOM 0 H ALA A 73 -1.354 7.662 2.789 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.585 10.521 2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.744 10.743 0.735 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.367 9.619 0.637 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.029 8.986 0.715 1.00 0.00 H new ATOM 915 N GLY A 74 -2.919 11.308 3.437 1.00 0.00 N ATOM 916 CA GLY A 74 -4.188 11.697 4.022 1.00 0.00 C ATOM 917 C GLY A 74 -4.070 12.000 5.503 1.00 0.00 C ATOM 918 O GLY A 74 -2.976 11.969 6.063 1.00 0.00 O ATOM 0 H GLY A 74 -2.284 12.082 3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.571 12.576 3.503 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.914 10.898 3.874 1.00 0.00 H new ATOM 922 N ASP A 75 -5.202 12.294 6.138 1.00 0.00 N ATOM 923 CA ASP A 75 -5.218 12.603 7.563 1.00 0.00 C ATOM 924 C ASP A 75 -5.422 11.340 8.391 1.00 0.00 C ATOM 925 O ASP A 75 -4.942 11.241 9.521 1.00 0.00 O ATOM 926 CB ASP A 75 -6.324 13.615 7.877 1.00 0.00 C ATOM 927 CG ASP A 75 -6.836 14.317 6.634 1.00 0.00 C ATOM 928 OD1 ASP A 75 -7.719 13.751 5.956 1.00 0.00 O ATOM 929 OD2 ASP A 75 -6.356 15.432 6.341 1.00 0.00 O ATOM 0 H ASP A 75 -6.117 12.324 5.689 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.253 13.037 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.151 13.104 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.945 14.357 8.580 1.00 0.00 H new ATOM 932 N MET A 76 -6.138 10.377 7.820 1.00 0.00 N ATOM 933 CA MET A 76 -6.409 9.115 8.498 1.00 0.00 C ATOM 934 C MET A 76 -5.112 8.367 8.791 1.00 0.00 C ATOM 935 O MET A 76 -4.776 8.114 9.949 1.00 0.00 O ATOM 936 CB MET A 76 -7.334 8.247 7.646 1.00 0.00 C ATOM 937 CG MET A 76 -8.144 7.247 8.454 1.00 0.00 C ATOM 938 SD MET A 76 -9.021 6.067 7.413 1.00 0.00 S ATOM 939 CE MET A 76 -8.653 4.529 8.252 1.00 0.00 C ATOM 0 H MET A 76 -6.542 10.447 6.886 1.00 0.00 H new ATOM 0 HA MET A 76 -6.900 9.335 9.446 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.016 8.892 7.093 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.737 7.708 6.910 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.480 6.707 9.129 1.00 0.00 H new ATOM 0 HG3 MET A 76 -8.862 7.783 9.074 1.00 0.00 H new ATOM 0 HE1 MET A 76 -8.005 3.918 7.624 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.150 4.741 9.195 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.580 3.991 8.448 1.00 0.00 H new ATOM 945 N SER A 77 -4.385 8.019 7.734 1.00 0.00 N ATOM 946 CA SER A 77 -3.123 7.302 7.881 1.00 0.00 C ATOM 947 C SER A 77 -2.110 8.147 8.645 1.00 0.00 C ATOM 948 O SER A 77 -1.189 7.619 9.265 1.00 0.00 O ATOM 949 CB SER A 77 -2.559 6.925 6.509 1.00 0.00 C ATOM 950 OG SER A 77 -1.968 5.638 6.538 1.00 0.00 O ATOM 0 H SER A 77 -4.647 8.221 6.769 1.00 0.00 H new ATOM 0 HA SER A 77 -3.315 6.390 8.447 1.00 0.00 H new ATOM 0 HB2 SER A 77 -3.356 6.946 5.766 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.818 7.662 6.202 1.00 0.00 H new ATOM 0 HG SER A 77 -2.187 5.159 5.711 1.00 0.00 H new ATOM 954 N LYS A 78 -2.292 9.463 8.597 1.00 0.00 N ATOM 955 CA LYS A 78 -1.399 10.386 9.286 1.00 0.00 C ATOM 956 C LYS A 78 -1.407 10.130 10.789 1.00 0.00 C ATOM 957 O LYS A 78 -0.365 10.179 11.443 1.00 0.00 O ATOM 958 CB LYS A 78 -1.808 11.833 9.002 1.00 0.00 C ATOM 959 CG LYS A 78 -0.787 12.856 9.472 1.00 0.00 C ATOM 960 CD LYS A 78 -1.362 13.753 10.556 1.00 0.00 C ATOM 961 CE LYS A 78 -0.883 13.336 11.936 1.00 0.00 C ATOM 962 NZ LYS A 78 0.329 14.093 12.354 1.00 0.00 N ATOM 0 H LYS A 78 -3.051 9.914 8.087 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.388 10.221 8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.965 11.954 7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.762 12.034 9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.096 12.343 9.852 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.463 13.464 8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.072 14.786 10.366 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.451 13.716 10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.680 13.498 12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.663 12.268 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.625 13.780 13.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.098 13.919 11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.112 15.110 12.378 1.00 0.00 H new ATOM 968 N SER A 79 -2.589 9.855 11.329 1.00 0.00 N ATOM 969 CA SER A 79 -2.736 9.590 12.755 1.00 0.00 C ATOM 970 C SER A 79 -2.483 8.117 13.063 1.00 0.00 C ATOM 971 O SER A 79 -2.183 7.754 14.201 1.00 0.00 O ATOM 972 CB SER A 79 -4.133 9.992 13.230 1.00 0.00 C ATOM 973 OG SER A 79 -4.245 9.885 14.638 1.00 0.00 O ATOM 0 H SER A 79 -3.460 9.810 10.800 1.00 0.00 H new ATOM 0 HA SER A 79 -1.995 10.186 13.288 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.344 11.016 12.922 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.879 9.356 12.754 1.00 0.00 H new ATOM 0 HG SER A 79 -5.147 10.149 14.915 1.00 0.00 H new ATOM 977 N ALA A 80 -2.605 7.274 12.043 1.00 0.00 N ATOM 978 CA ALA A 80 -2.389 5.841 12.207 1.00 0.00 C ATOM 979 C ALA A 80 -0.940 5.538 12.584 1.00 0.00 C ATOM 980 O ALA A 80 -0.680 4.727 13.473 1.00 0.00 O ATOM 981 CB ALA A 80 -2.769 5.099 10.934 1.00 0.00 C ATOM 0 H ALA A 80 -2.852 7.558 11.095 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.027 5.497 13.021 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.602 4.031 11.072 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.821 5.276 10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.156 5.458 10.107 1.00 0.00 H new ATOM 987 N VAL A 81 -0.002 6.192 11.904 1.00 0.00 N ATOM 988 CA VAL A 81 1.419 5.987 12.173 1.00 0.00 C ATOM 989 C VAL A 81 1.873 6.797 13.382 1.00 0.00 C ATOM 990 O VAL A 81 3.032 6.720 13.793 1.00 0.00 O ATOM 991 CB VAL A 81 2.295 6.372 10.961 1.00 0.00 C ATOM 992 CG1 VAL A 81 3.524 5.478 10.887 1.00 0.00 C ATOM 993 CG2 VAL A 81 1.500 6.295 9.666 1.00 0.00 C ATOM 0 H VAL A 81 -0.199 6.867 11.165 1.00 0.00 H new ATOM 0 HA VAL A 81 1.543 4.923 12.376 1.00 0.00 H new ATOM 0 HB VAL A 81 2.623 7.403 11.094 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.130 5.763 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.111 5.591 11.798 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.212 4.439 10.783 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.141 6.571 8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.135 5.278 9.523 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.654 6.981 9.717 1.00 0.00 H new ATOM 1003 N ASP A 82 0.955 7.574 13.949 1.00 0.00 N ATOM 1004 CA ASP A 82 1.260 8.400 15.111 1.00 0.00 C ATOM 1005 C ASP A 82 1.267 7.564 16.388 1.00 0.00 C ATOM 1006 O ASP A 82 2.297 7.432 17.050 1.00 0.00 O ATOM 1007 CB ASP A 82 0.243 9.535 15.234 1.00 0.00 C ATOM 1008 CG ASP A 82 0.398 10.315 16.524 1.00 0.00 C ATOM 1009 OD1 ASP A 82 1.329 11.142 16.609 1.00 0.00 O ATOM 1010 OD2 ASP A 82 -0.414 10.099 17.449 1.00 0.00 O ATOM 0 H ASP A 82 -0.008 7.648 13.621 1.00 0.00 H new ATOM 0 HA ASP A 82 2.254 8.825 14.974 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.355 10.213 14.388 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.765 9.123 15.181 1.00 0.00 H new ATOM 1013 N GLY A 83 0.109 7.007 16.728 1.00 0.00 N ATOM 1014 CA GLY A 83 -0.003 6.194 17.926 1.00 0.00 C ATOM 1015 C GLY A 83 0.704 4.860 17.795 1.00 0.00 C ATOM 1016 O GLY A 83 1.922 4.809 17.619 1.00 0.00 O ATOM 0 H GLY A 83 -0.755 7.104 16.195 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.415 6.741 18.772 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.057 6.022 18.147 1.00 0.00 H new ATOM 1020 N THR A 84 -0.061 3.777 17.883 1.00 0.00 N ATOM 1021 CA THR A 84 0.500 2.435 17.775 1.00 0.00 C ATOM 1022 C THR A 84 1.109 2.205 16.396 1.00 0.00 C ATOM 1023 O THR A 84 0.396 2.148 15.393 1.00 0.00 O ATOM 1024 CB THR A 84 -0.568 1.357 18.038 1.00 0.00 C ATOM 1025 OG1 THR A 84 -1.872 1.951 18.064 1.00 0.00 O ATOM 1026 CG2 THR A 84 -0.303 0.645 19.355 1.00 0.00 C ATOM 0 H THR A 84 -1.070 3.802 18.029 1.00 0.00 H new ATOM 0 HA THR A 84 1.280 2.355 18.533 1.00 0.00 H new ATOM 0 HB THR A 84 -0.520 0.626 17.231 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.544 1.257 18.230 1.00 0.00 H new ATOM 0 HG21 THR A 84 -1.070 -0.112 19.520 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.676 0.168 19.320 1.00 0.00 H new ATOM 0 HG23 THR A 84 -0.326 1.368 20.170 1.00 0.00 H new ATOM 1034 N ALA A 85 2.430 2.074 16.355 1.00 0.00 N ATOM 1035 CA ALA A 85 3.137 1.848 15.100 1.00 0.00 C ATOM 1036 C ALA A 85 3.174 0.364 14.751 1.00 0.00 C ATOM 1037 O ALA A 85 3.863 -0.047 13.818 1.00 0.00 O ATOM 1038 CB ALA A 85 4.548 2.410 15.179 1.00 0.00 C ATOM 0 H ALA A 85 3.033 2.120 17.176 1.00 0.00 H new ATOM 0 HA ALA A 85 2.596 2.367 14.309 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.063 2.234 14.235 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.502 3.482 15.373 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.091 1.918 15.986 1.00 0.00 H new ATOM 1044 N GLU A 86 2.426 -0.434 15.508 1.00 0.00 N ATOM 1045 CA GLU A 86 2.369 -1.872 15.276 1.00 0.00 C ATOM 1046 C GLU A 86 1.548 -2.185 14.033 1.00 0.00 C ATOM 1047 O GLU A 86 1.780 -3.185 13.354 1.00 0.00 O ATOM 1048 CB GLU A 86 1.773 -2.585 16.491 1.00 0.00 C ATOM 1049 CG GLU A 86 2.150 -4.053 16.583 1.00 0.00 C ATOM 1050 CD GLU A 86 3.585 -4.260 17.032 1.00 0.00 C ATOM 1051 OE1 GLU A 86 3.997 -3.616 18.019 1.00 0.00 O ATOM 1052 OE2 GLU A 86 4.296 -5.065 16.394 1.00 0.00 O ATOM 0 H GLU A 86 1.852 -0.109 16.286 1.00 0.00 H new ATOM 0 HA GLU A 86 3.386 -2.232 15.120 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.103 -2.077 17.397 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.687 -2.499 16.455 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.479 -4.554 17.281 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.006 -4.523 15.610 1.00 0.00 H new ATOM 1055 N ASN A 87 0.590 -1.313 13.740 1.00 0.00 N ATOM 1056 CA ASN A 87 -0.272 -1.480 12.575 1.00 0.00 C ATOM 1057 C ASN A 87 -0.331 -0.191 11.755 1.00 0.00 C ATOM 1058 O ASN A 87 -1.381 0.446 11.658 1.00 0.00 O ATOM 1059 CB ASN A 87 -1.682 -1.888 13.010 1.00 0.00 C ATOM 1060 CG ASN A 87 -2.341 -2.837 12.026 1.00 0.00 C ATOM 1061 OD1 ASN A 87 -1.954 -2.908 10.859 1.00 0.00 O ATOM 1062 ND2 ASN A 87 -3.343 -3.572 12.494 1.00 0.00 N ATOM 0 H ASN A 87 0.390 -0.481 14.295 1.00 0.00 H new ATOM 0 HA ASN A 87 0.149 -2.269 11.951 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.634 -2.362 13.990 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.298 -0.995 13.118 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.825 -4.228 11.879 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.631 -3.481 13.468 1.00 0.00 H new ATOM 1067 N PRO A 88 0.801 0.217 11.146 1.00 0.00 N ATOM 1068 CA PRO A 88 0.865 1.435 10.334 1.00 0.00 C ATOM 1069 C PRO A 88 0.008 1.328 9.080 1.00 0.00 C ATOM 1070 O PRO A 88 -0.462 2.333 8.546 1.00 0.00 O ATOM 1071 CB PRO A 88 2.349 1.554 9.956 1.00 0.00 C ATOM 1072 CG PRO A 88 3.069 0.627 10.875 1.00 0.00 C ATOM 1073 CD PRO A 88 2.100 -0.471 11.198 1.00 0.00 C ATOM 0 HA PRO A 88 0.487 2.302 10.876 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.512 1.279 8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.703 2.578 10.074 1.00 0.00 H new ATOM 0 HG2 PRO A 88 3.967 0.228 10.402 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.388 1.144 11.780 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.156 -1.285 10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.290 -0.903 12.181 1.00 0.00 H new ATOM 1075 N PHE A 89 -0.188 0.099 8.613 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.986 -0.150 7.419 1.00 0.00 C ATOM 1077 C PHE A 89 -2.449 -0.395 7.778 1.00 0.00 C ATOM 1078 O PHE A 89 -2.754 -1.122 8.725 1.00 0.00 O ATOM 1079 CB PHE A 89 -0.430 -1.351 6.651 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.795 -1.351 5.195 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -2.020 -1.845 4.777 1.00 0.00 C ATOM 1082 CD2 PHE A 89 0.083 -0.856 4.247 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -2.362 -1.846 3.438 1.00 0.00 C ATOM 1084 CE2 PHE A 89 -0.251 -0.853 2.907 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.476 -1.349 2.501 1.00 0.00 C ATOM 0 H PHE A 89 0.196 -0.741 9.045 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.931 0.736 6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.656 -1.362 6.745 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.799 -2.268 7.110 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.716 -2.234 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.041 -0.467 4.559 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.320 -2.234 3.124 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.444 -0.464 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.740 -1.348 1.454 1.00 0.00 H new ATOM 1093 N LEU A 90 -3.347 0.216 7.012 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.780 0.068 7.241 1.00 0.00 C ATOM 1095 C LEU A 90 -5.455 -0.585 6.038 1.00 0.00 C ATOM 1096 O LEU A 90 -5.207 -0.204 4.894 1.00 0.00 O ATOM 1097 CB LEU A 90 -5.418 1.432 7.518 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.940 2.122 8.798 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -5.284 3.602 8.767 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -5.549 1.456 10.022 1.00 0.00 C ATOM 0 H LEU A 90 -3.107 0.820 6.226 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.920 -0.574 8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.216 2.089 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.499 1.306 7.573 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.856 2.024 8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.936 4.076 9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.799 4.070 7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.364 3.723 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.198 1.960 10.923 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.636 1.522 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.250 0.408 10.053 1.00 0.00 H new ATOM 1110 N ASP A 91 -6.308 -1.568 6.305 1.00 0.00 N ATOM 1111 CA ASP A 91 -7.019 -2.271 5.244 1.00 0.00 C ATOM 1112 C ASP A 91 -8.300 -1.529 4.872 1.00 0.00 C ATOM 1113 O ASP A 91 -9.265 -2.132 4.401 1.00 0.00 O ATOM 1114 CB ASP A 91 -7.350 -3.700 5.681 1.00 0.00 C ATOM 1115 CG ASP A 91 -8.394 -3.743 6.779 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -8.267 -2.968 7.750 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -9.341 -4.551 6.666 1.00 0.00 O ATOM 0 H ASP A 91 -6.524 -1.896 7.247 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.372 -2.310 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.708 -4.266 4.821 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.441 -4.190 6.029 1.00 0.00 H new ATOM 1120 N ASN A 92 -8.298 -0.219 5.090 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.454 0.612 4.784 1.00 0.00 C ATOM 1122 C ASN A 92 -9.221 1.426 3.511 1.00 0.00 C ATOM 1123 O ASN A 92 -8.090 1.800 3.203 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.755 1.545 5.957 1.00 0.00 C ATOM 1125 CG ASN A 92 -11.240 1.657 6.245 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -11.767 2.872 6.169 1.00 0.00 O flip ATOM 1127 ND2 ASN A 92 -11.904 0.661 6.531 1.00 0.00 N flip ATOM 0 H ASN A 92 -7.505 0.291 5.479 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.310 -0.042 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.242 1.181 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.355 2.535 5.741 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.456 -0.254 6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -12.902 0.751 6.721 1.00 0.00 H new ATOM 1132 N PRO A 93 -10.295 1.707 2.747 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.210 2.470 1.501 1.00 0.00 C ATOM 1134 C PRO A 93 -10.067 3.967 1.750 1.00 0.00 C ATOM 1135 O PRO A 93 -9.665 4.718 0.861 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.547 2.173 0.798 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.239 1.150 1.641 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.675 1.301 3.022 1.00 0.00 C ATOM 0 HA PRO A 93 -9.335 2.189 0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.150 3.077 0.708 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.382 1.799 -0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -13.317 1.309 1.641 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.065 0.145 1.256 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -12.213 2.051 3.602 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.721 0.369 3.585 1.00 0.00 H new ATOM 1140 N ASP A 94 -10.403 4.396 2.962 1.00 0.00 N ATOM 1141 CA ASP A 94 -10.316 5.806 3.327 1.00 0.00 C ATOM 1142 C ASP A 94 -8.862 6.259 3.415 1.00 0.00 C ATOM 1143 O ASP A 94 -8.523 7.370 3.006 1.00 0.00 O ATOM 1144 CB ASP A 94 -11.027 6.054 4.658 1.00 0.00 C ATOM 1145 CG ASP A 94 -12.537 6.019 4.523 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -13.076 6.789 3.699 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -13.180 5.221 5.238 1.00 0.00 O ATOM 0 H ASP A 94 -10.738 3.787 3.709 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.808 6.389 2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.712 5.301 5.381 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.723 7.023 5.054 1.00 0.00 H new ATOM 1150 N ALA A 95 -8.005 5.391 3.945 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.587 5.701 4.082 1.00 0.00 C ATOM 1152 C ALA A 95 -5.874 5.590 2.738 1.00 0.00 C ATOM 1153 O ALA A 95 -6.200 4.724 1.926 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.940 4.775 5.102 1.00 0.00 C ATOM 0 H ALA A 95 -8.269 4.467 4.287 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.495 6.729 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.881 5.018 5.194 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.427 4.902 6.069 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -6.048 3.741 4.775 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.903 6.468 2.506 1.00 0.00 N ATOM 1161 CA PHE A 96 -4.151 6.459 1.256 1.00 0.00 C ATOM 1162 C PHE A 96 -2.755 5.881 1.453 1.00 0.00 C ATOM 1163 O PHE A 96 -2.173 5.989 2.531 1.00 0.00 O ATOM 1164 CB PHE A 96 -4.040 7.873 0.691 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.303 8.383 0.065 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -5.814 7.791 -1.079 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.976 9.458 0.618 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -6.974 8.264 -1.661 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -7.136 9.935 0.042 1.00 0.00 C ATOM 1170 CZ PHE A 96 -7.635 9.337 -1.097 1.00 0.00 C ATOM 0 H PHE A 96 -4.619 7.193 3.165 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.692 5.827 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.745 8.551 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.244 7.894 -0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.299 6.950 -1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.590 9.929 1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -7.362 7.796 -2.554 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.652 10.775 0.482 1.00 0.00 H new ATOM 0 HZ PHE A 96 -8.543 9.709 -1.548 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.225 5.276 0.395 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.891 4.686 0.429 1.00 0.00 C ATOM 1180 C TYR A 97 -0.261 4.730 -0.961 1.00 0.00 C ATOM 1181 O TYR A 97 -0.641 3.962 -1.842 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.954 3.238 0.927 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.274 3.114 2.401 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.368 3.537 3.366 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.482 2.576 2.825 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.659 3.424 4.713 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.779 2.461 4.170 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.865 2.888 5.109 1.00 0.00 C ATOM 1189 OH TYR A 97 -2.159 2.777 6.449 1.00 0.00 O ATOM 0 H TYR A 97 -2.702 5.181 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.277 5.265 1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.708 2.699 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.002 2.754 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.577 3.960 3.059 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.201 2.242 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.056 3.755 5.452 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.722 2.039 4.483 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.328 2.795 6.969 1.00 0.00 H new ATOM 1197 N TYR A 98 0.693 5.637 -1.155 1.00 0.00 N ATOM 1198 CA TYR A 98 1.357 5.773 -2.449 1.00 0.00 C ATOM 1199 C TYR A 98 2.798 5.274 -2.388 1.00 0.00 C ATOM 1200 O TYR A 98 3.253 4.778 -1.354 1.00 0.00 O ATOM 1201 CB TYR A 98 1.323 7.231 -2.917 1.00 0.00 C ATOM 1202 CG TYR A 98 2.061 8.195 -2.013 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.438 8.752 -0.903 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.377 8.555 -2.276 1.00 0.00 C ATOM 1205 CE1 TYR A 98 2.105 9.642 -0.082 1.00 0.00 C ATOM 1206 CE2 TYR A 98 4.052 9.442 -1.459 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.411 9.982 -0.364 1.00 0.00 C ATOM 1208 OH TYR A 98 4.078 10.868 0.451 1.00 0.00 O ATOM 0 H TYR A 98 1.022 6.284 -0.439 1.00 0.00 H new ATOM 0 HA TYR A 98 0.816 5.157 -3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.752 7.289 -3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.284 7.550 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.416 8.485 -0.678 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.881 8.134 -3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.606 10.069 0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.075 9.711 -1.677 1.00 0.00 H new ATOM 0 HH TYR A 98 4.989 11.000 0.115 1.00 0.00 H new ATOM 1216 N PHE A 99 3.512 5.408 -3.507 1.00 0.00 N ATOM 1217 CA PHE A 99 4.902 4.969 -3.584 1.00 0.00 C ATOM 1218 C PHE A 99 5.855 6.163 -3.527 1.00 0.00 C ATOM 1219 O PHE A 99 5.550 7.233 -4.056 1.00 0.00 O ATOM 1220 CB PHE A 99 5.142 4.175 -4.874 1.00 0.00 C ATOM 1221 CG PHE A 99 4.706 2.735 -4.799 1.00 0.00 C ATOM 1222 CD1 PHE A 99 4.929 1.981 -3.657 1.00 0.00 C ATOM 1223 CD2 PHE A 99 4.072 2.135 -5.877 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.529 0.659 -3.593 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.671 0.814 -5.818 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.900 0.076 -4.674 1.00 0.00 C ATOM 0 H PHE A 99 3.150 5.816 -4.369 1.00 0.00 H new ATOM 0 HA PHE A 99 5.099 4.325 -2.727 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.611 4.662 -5.692 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.204 4.210 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.421 2.432 -2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.889 2.708 -6.774 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.709 0.083 -2.697 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.179 0.360 -6.665 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.587 -0.957 -4.625 1.00 0.00 H new TER 1234 PHE A 99