USER MOD reduce.3.24.130724 H: found=0, std=0, add=793, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 794 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 NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 110 ZNZN :(H bumps) USER MOD NoAdj-H: A 66 HIS HE2 : A 66 HIS NE2 : A 108 ZNZN :(H bumps) USER MOD NoAdj-H: A 71 HIS HD1 : A 71 HIS ND1 : A 110 ZNZN :(H bumps) USER MOD Set 1.1: A 82 GLN : amide:sc= 0.53 K(o=1.1,f=-0.024) USER MOD Set 1.2: A 84 TYR OH : rot 166:sc= 0.596 USER MOD Set 2.1: A 74 THR OG1 : rot -63:sc= 0.932 USER MOD Set 2.2: A 85 THR OG1 : rot 180:sc= 0.82 USER MOD Set 3.1: A 20 ASN : amide:sc= 1.48 K(o=3.4,f=-1.2) USER MOD Set 3.2: A 44 LYS NZ :NH3+ -145:sc= 1.94 (180deg=1.11) USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= 1.03 (180deg=0.983) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.788 K(o=0.79,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.99 K(o=0.99,f=-1.3) USER MOD Single : A 16 THR OG1 : rot 88:sc= 0.55 USER MOD Single : A 17 CYS SG : rot 61:sc= 0.218 USER MOD Single : A 22 SER OG : rot 17:sc= 0.443 USER MOD Single : A 26 ASN : amide:sc= 2.14 K(o=2.1,f=-8.4!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00315 USER MOD Single : A 34 SER OG : rot -46:sc= 0.117 USER MOD Single : A 35 LYS NZ :NH3+ -146:sc= 0.0721 (180deg=0) USER MOD Single : A 39 MET CE :methyl -144:sc= -0.0346 (180deg=-3.35!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 2.07 K(o=2.1,f=-0.11) USER MOD Single : A 45 SER OG : rot 56:sc= 0.0184 USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0.953 (180deg=0.94) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0.0981 X(o=0.098,f=-0.11) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot -27:sc= 0.0443 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 172:sc= 0 (180deg=-0.102) USER MOD Single : A 86 MET CE :methyl -171:sc= 0 (180deg=-0.171) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc=-0.00293 X(o=-0.0029,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 2 -1.152 14.911 -8.636 1.00 0.00 N ATOM 2 CA CYS A 2 -0.683 15.386 -9.927 1.00 0.00 C ATOM 3 C CYS A 2 0.736 14.876 -10.277 1.00 0.00 C ATOM 4 O CYS A 2 1.351 15.321 -11.252 1.00 0.00 O ATOM 5 CB CYS A 2 -0.889 16.930 -10.012 1.00 0.00 C ATOM 6 SG CYS A 2 -0.806 17.896 -8.437 1.00 0.00 S ATOM 0 HA CYS A 2 -1.287 14.950 -10.722 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -0.138 17.332 -10.692 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -1.862 17.114 -10.468 1.00 0.00 H new ATOM 11 N GLY A 3 1.265 13.943 -9.477 1.00 0.00 N ATOM 12 CA GLY A 3 2.607 13.351 -9.577 1.00 0.00 C ATOM 13 C GLY A 3 3.692 14.318 -9.094 1.00 0.00 C ATOM 14 O GLY A 3 4.644 13.898 -8.439 1.00 0.00 O ATOM 0 H GLY A 3 0.737 13.557 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 3 2.646 12.436 -8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 3 2.804 13.070 -10.612 1.00 0.00 H new ATOM 18 N ASP A 4 3.511 15.624 -9.311 1.00 0.00 N ATOM 19 CA ASP A 4 4.362 16.657 -8.716 1.00 0.00 C ATOM 20 C ASP A 4 4.170 16.680 -7.180 1.00 0.00 C ATOM 21 O ASP A 4 5.040 17.183 -6.461 1.00 0.00 O ATOM 22 CB ASP A 4 4.055 18.023 -9.343 1.00 0.00 C ATOM 23 CG ASP A 4 4.705 18.180 -10.728 1.00 0.00 C ATOM 24 OD1 ASP A 4 5.957 18.241 -10.804 1.00 0.00 O ATOM 25 OD2 ASP A 4 3.977 18.271 -11.745 1.00 0.00 O ATOM 0 H ASP A 4 2.769 15.995 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 4 5.407 16.426 -8.921 1.00 0.00 H new ATOM 0 HB2 ASP A 4 2.976 18.146 -9.433 1.00 0.00 H new ATOM 0 HB3 ASP A 4 4.412 18.813 -8.683 1.00 0.00 H new ATOM 30 N CYS A 5 3.067 16.096 -6.680 1.00 0.00 N ATOM 31 CA CYS A 5 2.758 15.924 -5.264 1.00 0.00 C ATOM 32 C CYS A 5 3.796 15.044 -4.524 1.00 0.00 C ATOM 33 O CYS A 5 3.961 15.174 -3.310 1.00 0.00 O ATOM 34 CB CYS A 5 1.379 15.240 -5.090 1.00 0.00 C ATOM 35 SG CYS A 5 -0.056 16.157 -5.739 1.00 0.00 S ATOM 0 H CYS A 5 2.339 15.717 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 5 2.767 16.927 -4.837 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.414 14.267 -5.579 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.218 15.057 -4.028 1.00 0.00 H new ATOM 40 N VAL A 6 4.471 14.123 -5.228 1.00 0.00 N ATOM 41 CA VAL A 6 5.409 13.145 -4.643 1.00 0.00 C ATOM 42 C VAL A 6 6.867 13.442 -5.041 1.00 0.00 C ATOM 43 O VAL A 6 7.160 13.786 -6.188 1.00 0.00 O ATOM 44 CB VAL A 6 5.001 11.691 -4.991 1.00 0.00 C ATOM 45 CG1 VAL A 6 3.542 11.401 -4.610 1.00 0.00 C ATOM 46 CG2 VAL A 6 5.163 11.272 -6.457 1.00 0.00 C ATOM 0 H VAL A 6 4.380 14.033 -6.240 1.00 0.00 H new ATOM 0 HA VAL A 6 5.350 13.247 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 6 5.710 11.110 -4.401 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.296 10.372 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.410 11.546 -3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.883 12.080 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.846 10.236 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.550 11.914 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.209 11.367 -6.749 1.00 0.00 H new ATOM 56 N GLU A 7 7.809 13.301 -4.103 1.00 0.00 N ATOM 57 CA GLU A 7 9.252 13.491 -4.322 1.00 0.00 C ATOM 58 C GLU A 7 9.795 12.442 -5.315 1.00 0.00 C ATOM 59 O GLU A 7 10.579 12.770 -6.211 1.00 0.00 O ATOM 60 CB GLU A 7 9.985 13.426 -2.962 1.00 0.00 C ATOM 61 CG GLU A 7 11.507 13.530 -3.057 1.00 0.00 C ATOM 62 CD GLU A 7 12.178 13.215 -1.711 1.00 0.00 C ATOM 63 OE1 GLU A 7 12.481 12.020 -1.469 1.00 0.00 O ATOM 64 OE2 GLU A 7 12.438 14.149 -0.914 1.00 0.00 O ATOM 0 H GLU A 7 7.585 13.044 -3.142 1.00 0.00 H new ATOM 0 HA GLU A 7 9.430 14.471 -4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.617 14.232 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.728 12.488 -2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.873 12.840 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.785 14.534 -3.377 1.00 0.00 H new ATOM 71 N LYS A 8 9.339 11.189 -5.175 1.00 0.00 N ATOM 72 CA LYS A 8 9.660 10.033 -6.019 1.00 0.00 C ATOM 73 C LYS A 8 8.373 9.273 -6.349 1.00 0.00 C ATOM 74 O LYS A 8 7.501 9.123 -5.493 1.00 0.00 O ATOM 75 CB LYS A 8 10.635 9.102 -5.270 1.00 0.00 C ATOM 76 CG LYS A 8 12.015 9.735 -5.014 1.00 0.00 C ATOM 77 CD LYS A 8 13.008 8.746 -4.380 1.00 0.00 C ATOM 78 CE LYS A 8 12.699 8.397 -2.915 1.00 0.00 C ATOM 79 NZ LYS A 8 13.225 9.408 -1.959 1.00 0.00 N ATOM 0 H LYS A 8 8.696 10.942 -4.422 1.00 0.00 H new ATOM 0 HA LYS A 8 10.127 10.374 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.192 8.817 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.766 8.186 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.423 10.101 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.899 10.599 -4.359 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.014 7.828 -4.967 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.011 9.168 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.620 8.309 -2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.128 7.423 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.141 9.045 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 14.225 9.599 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.678 10.288 -2.048 1.00 0.00 H new ATOM 93 N GLU A 9 8.262 8.764 -7.574 1.00 0.00 N ATOM 94 CA GLU A 9 7.134 7.931 -8.015 1.00 0.00 C ATOM 95 C GLU A 9 7.357 6.484 -7.547 1.00 0.00 C ATOM 96 O GLU A 9 8.393 5.891 -7.861 1.00 0.00 O ATOM 97 CB GLU A 9 7.033 7.961 -9.553 1.00 0.00 C ATOM 98 CG GLU A 9 6.345 9.220 -10.092 1.00 0.00 C ATOM 99 CD GLU A 9 6.910 9.618 -11.471 1.00 0.00 C ATOM 100 OE1 GLU A 9 6.391 9.136 -12.508 1.00 0.00 O ATOM 101 OE2 GLU A 9 7.879 10.414 -11.528 1.00 0.00 O ATOM 0 H GLU A 9 8.960 8.918 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 9 6.210 8.319 -7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.035 7.893 -9.977 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.484 7.082 -9.891 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.272 9.045 -10.172 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.482 10.042 -9.389 1.00 0.00 H new ATOM 108 N TYR A 10 6.395 5.911 -6.811 1.00 0.00 N ATOM 109 CA TYR A 10 6.447 4.536 -6.276 1.00 0.00 C ATOM 110 C TYR A 10 7.798 4.194 -5.607 1.00 0.00 C ATOM 111 O TYR A 10 8.494 3.264 -6.035 1.00 0.00 O ATOM 112 CB TYR A 10 6.026 3.507 -7.344 1.00 0.00 C ATOM 113 CG TYR A 10 4.667 3.724 -7.992 1.00 0.00 C ATOM 114 CD1 TYR A 10 4.482 4.762 -8.930 1.00 0.00 C ATOM 115 CD2 TYR A 10 3.582 2.885 -7.661 1.00 0.00 C ATOM 116 CE1 TYR A 10 3.222 4.986 -9.508 1.00 0.00 C ATOM 117 CE2 TYR A 10 2.312 3.119 -8.225 1.00 0.00 C ATOM 118 CZ TYR A 10 2.128 4.165 -9.155 1.00 0.00 C ATOM 119 OH TYR A 10 0.899 4.377 -9.702 1.00 0.00 O ATOM 0 H TYR A 10 5.535 6.400 -6.563 1.00 0.00 H new ATOM 0 HA TYR A 10 5.715 4.481 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.782 3.500 -8.129 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.033 2.518 -6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.317 5.389 -9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 10 3.725 2.063 -6.975 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.089 5.785 -10.222 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.476 2.495 -7.945 1.00 0.00 H new ATOM 0 HH TYR A 10 0.265 3.719 -9.347 1.00 0.00 H new ATOM 129 N PRO A 11 8.196 4.937 -4.556 1.00 0.00 N ATOM 130 CA PRO A 11 9.461 4.720 -3.853 1.00 0.00 C ATOM 131 C PRO A 11 9.506 3.340 -3.186 1.00 0.00 C ATOM 132 O PRO A 11 8.490 2.862 -2.687 1.00 0.00 O ATOM 133 CB PRO A 11 9.515 5.839 -2.805 1.00 0.00 C ATOM 134 CG PRO A 11 8.050 6.152 -2.531 1.00 0.00 C ATOM 135 CD PRO A 11 7.452 6.023 -3.926 1.00 0.00 C ATOM 0 HA PRO A 11 10.313 4.744 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.031 5.516 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.047 6.713 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 11 7.604 5.450 -1.826 1.00 0.00 H new ATOM 0 HG3 PRO A 11 7.914 7.151 -2.116 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.387 5.797 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.557 6.951 -4.488 1.00 0.00 H new ATOM 143 N ASN A 12 10.665 2.684 -3.118 1.00 0.00 N ATOM 144 CA ASN A 12 10.758 1.408 -2.404 1.00 0.00 C ATOM 145 C ASN A 12 10.823 1.671 -0.888 1.00 0.00 C ATOM 146 O ASN A 12 11.414 2.662 -0.446 1.00 0.00 O ATOM 147 CB ASN A 12 11.970 0.610 -2.911 1.00 0.00 C ATOM 148 CG ASN A 12 11.893 0.264 -4.392 1.00 0.00 C ATOM 149 OD1 ASN A 12 12.778 0.587 -5.172 1.00 0.00 O ATOM 150 ND2 ASN A 12 10.841 -0.386 -4.841 1.00 0.00 N ATOM 0 H ASN A 12 11.537 3.006 -3.539 1.00 0.00 H new ATOM 0 HA ASN A 12 9.871 0.804 -2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 12 12.877 1.186 -2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.055 -0.311 -2.335 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.769 -0.616 -5.832 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.098 -0.660 -4.198 1.00 0.00 H new ATOM 157 N ARG A 13 10.203 0.796 -0.081 1.00 0.00 N ATOM 158 CA ARG A 13 10.091 0.952 1.386 1.00 0.00 C ATOM 159 C ARG A 13 10.746 -0.169 2.195 1.00 0.00 C ATOM 160 O ARG A 13 10.270 -0.526 3.273 1.00 0.00 O ATOM 161 CB ARG A 13 8.619 1.171 1.783 1.00 0.00 C ATOM 162 CG ARG A 13 7.885 2.331 1.096 1.00 0.00 C ATOM 163 CD ARG A 13 8.599 3.693 1.102 1.00 0.00 C ATOM 164 NE ARG A 13 9.101 4.075 2.438 1.00 0.00 N ATOM 165 CZ ARG A 13 10.341 4.378 2.782 1.00 0.00 C ATOM 166 NH1 ARG A 13 11.346 4.314 1.951 1.00 0.00 N ATOM 167 NH2 ARG A 13 10.605 4.751 4.000 1.00 0.00 N ATOM 0 H ARG A 13 9.758 -0.053 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 13 10.667 1.840 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.071 0.252 1.577 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.577 1.332 2.860 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.696 2.049 0.060 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.914 2.453 1.576 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.433 3.663 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.911 4.459 0.746 1.00 0.00 H new ATOM 0 HE ARG A 13 8.407 4.109 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.192 4.019 0.987 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.285 4.559 2.266 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.855 4.810 4.689 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.562 4.985 4.266 1.00 0.00 H new ATOM 181 N GLY A 14 11.816 -0.756 1.662 1.00 0.00 N ATOM 182 CA GLY A 14 12.553 -1.851 2.316 1.00 0.00 C ATOM 183 C GLY A 14 11.660 -3.049 2.667 1.00 0.00 C ATOM 184 O GLY A 14 11.825 -3.655 3.727 1.00 0.00 O ATOM 0 H GLY A 14 12.204 -0.488 0.758 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.357 -2.184 1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.020 -1.474 3.226 1.00 0.00 H new ATOM 188 N ASN A 15 10.702 -3.341 1.777 1.00 0.00 N ATOM 189 CA ASN A 15 9.702 -4.417 1.820 1.00 0.00 C ATOM 190 C ASN A 15 8.429 -4.089 2.652 1.00 0.00 C ATOM 191 O ASN A 15 7.586 -4.965 2.847 1.00 0.00 O ATOM 192 CB ASN A 15 10.326 -5.778 2.218 1.00 0.00 C ATOM 193 CG ASN A 15 11.529 -6.271 1.423 1.00 0.00 C ATOM 194 OD1 ASN A 15 12.166 -5.577 0.639 1.00 0.00 O ATOM 195 ND2 ASN A 15 11.881 -7.523 1.608 1.00 0.00 N ATOM 0 H ASN A 15 10.598 -2.779 0.932 1.00 0.00 H new ATOM 0 HA ASN A 15 9.345 -4.504 0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 15 10.620 -5.717 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 15 9.546 -6.536 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.678 -7.909 1.101 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.358 -8.109 2.258 1.00 0.00 H new ATOM 202 N THR A 16 8.245 -2.852 3.139 1.00 0.00 N ATOM 203 CA THR A 16 7.065 -2.456 3.944 1.00 0.00 C ATOM 204 C THR A 16 5.792 -2.401 3.085 1.00 0.00 C ATOM 205 O THR A 16 5.729 -1.591 2.163 1.00 0.00 O ATOM 206 CB THR A 16 7.311 -1.082 4.599 1.00 0.00 C ATOM 207 OG1 THR A 16 8.439 -1.139 5.447 1.00 0.00 O ATOM 208 CG2 THR A 16 6.142 -0.585 5.448 1.00 0.00 C ATOM 0 H THR A 16 8.908 -2.092 2.989 1.00 0.00 H new ATOM 0 HA THR A 16 6.920 -3.210 4.718 1.00 0.00 H new ATOM 0 HB THR A 16 7.454 -0.392 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.248 -0.942 4.930 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.390 0.387 5.875 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.253 -0.491 4.824 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.948 -1.296 6.251 1.00 0.00 H new ATOM 216 N CYS A 17 4.773 -3.223 3.381 1.00 0.00 N ATOM 217 CA CYS A 17 3.505 -3.283 2.642 1.00 0.00 C ATOM 218 C CYS A 17 2.320 -3.013 3.591 1.00 0.00 C ATOM 219 O CYS A 17 2.018 -3.839 4.456 1.00 0.00 O ATOM 220 CB CYS A 17 3.383 -4.661 1.971 1.00 0.00 C ATOM 221 SG CYS A 17 4.780 -4.998 0.858 1.00 0.00 S ATOM 0 H CYS A 17 4.810 -3.880 4.160 1.00 0.00 H new ATOM 0 HA CYS A 17 3.488 -2.513 1.870 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.334 -5.435 2.737 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.451 -4.710 1.409 1.00 0.00 H new ATOM 0 HG CYS A 17 5.887 -5.000 1.540 1.00 0.00 H new ATOM 227 N LEU A 18 1.673 -1.850 3.446 1.00 0.00 N ATOM 228 CA LEU A 18 0.580 -1.347 4.297 1.00 0.00 C ATOM 229 C LEU A 18 -0.724 -1.094 3.532 1.00 0.00 C ATOM 230 O LEU A 18 -0.728 -0.622 2.395 1.00 0.00 O ATOM 231 CB LEU A 18 1.041 -0.033 4.970 1.00 0.00 C ATOM 232 CG LEU A 18 1.743 -0.156 6.336 1.00 0.00 C ATOM 233 CD1 LEU A 18 2.815 -1.236 6.394 1.00 0.00 C ATOM 234 CD2 LEU A 18 2.385 1.183 6.700 1.00 0.00 C ATOM 0 H LEU A 18 1.907 -1.200 2.696 1.00 0.00 H new ATOM 0 HA LEU A 18 0.363 -2.120 5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.718 0.479 4.286 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.168 0.608 5.094 1.00 0.00 H new ATOM 0 HG LEU A 18 0.966 -0.442 7.045 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.258 -1.255 7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.367 -2.206 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.588 -1.021 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.882 1.097 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.116 1.455 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.615 1.953 6.755 1.00 0.00 H new ATOM 246 N GLU A 19 -1.840 -1.364 4.210 1.00 0.00 N ATOM 247 CA GLU A 19 -3.207 -1.134 3.734 1.00 0.00 C ATOM 248 C GLU A 19 -3.778 0.231 4.159 1.00 0.00 C ATOM 249 O GLU A 19 -4.893 0.567 3.764 1.00 0.00 O ATOM 250 CB GLU A 19 -4.129 -2.265 4.233 1.00 0.00 C ATOM 251 CG GLU A 19 -4.681 -2.137 5.665 1.00 0.00 C ATOM 252 CD GLU A 19 -3.636 -1.969 6.789 1.00 0.00 C ATOM 253 OE1 GLU A 19 -2.511 -2.513 6.693 1.00 0.00 O ATOM 254 OE2 GLU A 19 -3.956 -1.278 7.788 1.00 0.00 O ATOM 0 H GLU A 19 -1.816 -1.767 5.147 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.164 -1.130 2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.975 -2.339 3.549 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.580 -3.204 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.357 -1.282 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.277 -3.023 5.882 1.00 0.00 H new ATOM 261 N ASN A 20 -3.055 1.010 4.972 1.00 0.00 N ATOM 262 CA ASN A 20 -3.497 2.320 5.475 1.00 0.00 C ATOM 263 C ASN A 20 -2.343 3.333 5.627 1.00 0.00 C ATOM 264 O ASN A 20 -1.195 2.948 5.870 1.00 0.00 O ATOM 265 CB ASN A 20 -4.182 2.142 6.846 1.00 0.00 C ATOM 266 CG ASN A 20 -5.644 1.749 6.756 1.00 0.00 C ATOM 267 OD1 ASN A 20 -6.464 2.448 6.173 1.00 0.00 O ATOM 268 ND2 ASN A 20 -6.019 0.624 7.313 1.00 0.00 N ATOM 0 H ASN A 20 -2.129 0.744 5.306 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.190 2.721 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.646 1.381 7.413 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.100 3.074 7.406 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.994 0.330 7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.336 0.043 7.798 1.00 0.00 H new ATOM 275 N GLY A 21 -2.672 4.630 5.549 1.00 0.00 N ATOM 276 CA GLY A 21 -1.751 5.758 5.757 1.00 0.00 C ATOM 277 C GLY A 21 -1.610 6.714 4.563 1.00 0.00 C ATOM 278 O GLY A 21 -2.369 6.649 3.599 1.00 0.00 O ATOM 0 H GLY A 21 -3.621 4.934 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.090 6.329 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.766 5.362 6.003 1.00 0.00 H new ATOM 282 N SER A 22 -0.625 7.613 4.659 1.00 0.00 N ATOM 283 CA SER A 22 -0.209 8.606 3.649 1.00 0.00 C ATOM 284 C SER A 22 1.250 8.976 3.935 1.00 0.00 C ATOM 285 O SER A 22 1.556 9.503 5.007 1.00 0.00 O ATOM 286 CB SER A 22 -1.065 9.878 3.695 1.00 0.00 C ATOM 287 OG SER A 22 -2.376 9.635 3.206 1.00 0.00 O ATOM 0 H SER A 22 -0.054 7.675 5.502 1.00 0.00 H new ATOM 0 HA SER A 22 -0.333 8.168 2.658 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.119 10.246 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.592 10.659 3.100 1.00 0.00 H new ATOM 0 HG SER A 22 -2.547 8.670 3.193 1.00 0.00 H new ATOM 293 N PHE A 23 2.173 8.643 3.031 1.00 0.00 N ATOM 294 CA PHE A 23 3.621 8.810 3.232 1.00 0.00 C ATOM 295 C PHE A 23 4.151 10.254 3.156 1.00 0.00 C ATOM 296 O PHE A 23 4.731 10.690 2.160 1.00 0.00 O ATOM 297 CB PHE A 23 4.360 7.841 2.306 1.00 0.00 C ATOM 298 CG PHE A 23 5.850 7.661 2.554 1.00 0.00 C ATOM 299 CD1 PHE A 23 6.400 7.753 3.850 1.00 0.00 C ATOM 300 CD2 PHE A 23 6.694 7.354 1.470 1.00 0.00 C ATOM 301 CE1 PHE A 23 7.780 7.581 4.044 1.00 0.00 C ATOM 302 CE2 PHE A 23 8.078 7.206 1.662 1.00 0.00 C ATOM 303 CZ PHE A 23 8.627 7.358 2.947 1.00 0.00 C ATOM 0 H PHE A 23 1.936 8.243 2.123 1.00 0.00 H new ATOM 0 HA PHE A 23 3.828 8.559 4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.882 6.865 2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.225 8.181 1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.758 7.956 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 23 6.274 7.231 0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.192 7.620 5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.719 6.976 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.696 7.303 3.090 1.00 0.00 H new ATOM 313 N LEU A 24 3.954 11.012 4.236 1.00 0.00 N ATOM 314 CA LEU A 24 4.332 12.425 4.361 1.00 0.00 C ATOM 315 C LEU A 24 5.791 12.767 3.992 1.00 0.00 C ATOM 316 O LEU A 24 6.058 13.870 3.511 1.00 0.00 O ATOM 317 CB LEU A 24 4.000 12.929 5.778 1.00 0.00 C ATOM 318 CG LEU A 24 2.560 12.683 6.278 1.00 0.00 C ATOM 319 CD1 LEU A 24 2.343 13.418 7.600 1.00 0.00 C ATOM 320 CD2 LEU A 24 1.480 13.138 5.295 1.00 0.00 C ATOM 0 H LEU A 24 3.511 10.648 5.079 1.00 0.00 H new ATOM 0 HA LEU A 24 3.737 12.946 3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.689 12.457 6.478 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.195 14.001 5.813 1.00 0.00 H new ATOM 0 HG LEU A 24 2.463 11.604 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.326 13.243 7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.051 13.049 8.342 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.497 14.487 7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.496 12.933 5.715 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.581 14.208 5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.593 12.598 4.355 1.00 0.00 H new ATOM 332 N LEU A 25 6.733 11.836 4.182 1.00 0.00 N ATOM 333 CA LEU A 25 8.151 12.015 3.822 1.00 0.00 C ATOM 334 C LEU A 25 8.398 12.023 2.298 1.00 0.00 C ATOM 335 O LEU A 25 9.419 12.552 1.855 1.00 0.00 O ATOM 336 CB LEU A 25 9.012 10.940 4.510 1.00 0.00 C ATOM 337 CG LEU A 25 9.037 10.995 6.051 1.00 0.00 C ATOM 338 CD1 LEU A 25 9.996 9.933 6.593 1.00 0.00 C ATOM 339 CD2 LEU A 25 9.491 12.351 6.599 1.00 0.00 C ATOM 0 H LEU A 25 6.533 10.925 4.595 1.00 0.00 H new ATOM 0 HA LEU A 25 8.445 13.001 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.649 9.959 4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.035 11.030 4.144 1.00 0.00 H new ATOM 0 HG LEU A 25 8.011 10.819 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.009 9.977 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.663 8.945 6.274 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.999 10.119 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.486 12.323 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.499 12.567 6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.811 13.129 6.253 1.00 0.00 H new ATOM 351 N ASN A 26 7.464 11.501 1.493 1.00 0.00 N ATOM 352 CA ASN A 26 7.517 11.534 0.025 1.00 0.00 C ATOM 353 C ASN A 26 6.565 12.615 -0.498 1.00 0.00 C ATOM 354 O ASN A 26 6.871 13.260 -1.494 1.00 0.00 O ATOM 355 CB ASN A 26 7.143 10.149 -0.526 1.00 0.00 C ATOM 356 CG ASN A 26 7.347 10.039 -2.032 1.00 0.00 C ATOM 357 OD1 ASN A 26 8.232 10.637 -2.610 1.00 0.00 O ATOM 358 ND2 ASN A 26 6.571 9.262 -2.737 1.00 0.00 N ATOM 0 H ASN A 26 6.632 11.033 1.852 1.00 0.00 H new ATOM 0 HA ASN A 26 8.525 11.778 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.744 9.389 -0.026 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.100 9.938 -0.289 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.718 9.171 -3.742 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.818 8.745 -2.283 1.00 0.00 H new ATOM 365 N PHE A 27 5.434 12.853 0.172 1.00 0.00 N ATOM 366 CA PHE A 27 4.517 13.936 -0.201 1.00 0.00 C ATOM 367 C PHE A 27 5.193 15.295 0.021 1.00 0.00 C ATOM 368 O PHE A 27 5.394 15.728 1.158 1.00 0.00 O ATOM 369 CB PHE A 27 3.204 13.861 0.584 1.00 0.00 C ATOM 370 CG PHE A 27 2.168 14.916 0.201 1.00 0.00 C ATOM 371 CD1 PHE A 27 1.694 15.019 -1.124 1.00 0.00 C ATOM 372 CD2 PHE A 27 1.643 15.777 1.184 1.00 0.00 C ATOM 373 CE1 PHE A 27 0.678 15.941 -1.461 1.00 0.00 C ATOM 374 CE2 PHE A 27 0.629 16.694 0.853 1.00 0.00 C ATOM 375 CZ PHE A 27 0.135 16.762 -0.462 1.00 0.00 C ATOM 0 H PHE A 27 5.130 12.308 0.979 1.00 0.00 H new ATOM 0 HA PHE A 27 4.275 13.821 -1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.767 12.873 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.426 13.959 1.647 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.113 14.385 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.020 15.733 2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.323 16.013 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 27 0.228 17.349 1.612 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.664 17.448 -0.703 1.00 0.00 H new ATOM 385 N THR A 28 5.526 15.990 -1.062 1.00 0.00 N ATOM 386 CA THR A 28 6.164 17.325 -1.031 1.00 0.00 C ATOM 387 C THR A 28 5.133 18.458 -1.035 1.00 0.00 C ATOM 388 O THR A 28 5.487 19.634 -1.152 1.00 0.00 O ATOM 389 CB THR A 28 7.161 17.490 -2.196 1.00 0.00 C ATOM 390 OG1 THR A 28 6.623 17.066 -3.431 1.00 0.00 O ATOM 391 CG2 THR A 28 8.404 16.640 -1.939 1.00 0.00 C ATOM 0 H THR A 28 5.362 15.645 -2.008 1.00 0.00 H new ATOM 0 HA THR A 28 6.715 17.392 -0.093 1.00 0.00 H new ATOM 0 HB THR A 28 7.397 18.553 -2.250 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.290 17.191 -4.138 1.00 0.00 H new ATOM 0 HG21 THR A 28 9.105 16.761 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 28 8.878 16.960 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.117 15.592 -1.857 1.00 0.00 H new ATOM 399 N GLY A 29 3.851 18.104 -0.923 1.00 0.00 N ATOM 400 CA GLY A 29 2.712 19.008 -1.010 1.00 0.00 C ATOM 401 C GLY A 29 2.197 19.045 -2.452 1.00 0.00 C ATOM 402 O GLY A 29 2.972 18.835 -3.393 1.00 0.00 O ATOM 0 H GLY A 29 3.571 17.137 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.920 18.677 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.003 20.009 -0.691 1.00 0.00 H new ATOM 406 N CYS A 30 0.900 19.302 -2.611 1.00 0.00 N ATOM 407 CA CYS A 30 0.185 19.336 -3.879 1.00 0.00 C ATOM 408 C CYS A 30 0.810 20.263 -4.929 1.00 0.00 C ATOM 409 O CYS A 30 1.671 21.108 -4.647 1.00 0.00 O ATOM 410 CB CYS A 30 -1.283 19.727 -3.602 1.00 0.00 C ATOM 411 SG CYS A 30 -2.426 19.250 -4.960 1.00 0.00 S ATOM 0 H CYS A 30 0.292 19.502 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 30 0.247 18.339 -4.316 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.610 19.253 -2.677 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.343 20.804 -3.447 1.00 0.00 H new ATOM 416 N ALA A 31 0.292 20.155 -6.140 1.00 0.00 N ATOM 417 CA ALA A 31 0.596 21.052 -7.245 1.00 0.00 C ATOM 418 C ALA A 31 -0.674 21.623 -7.903 1.00 0.00 C ATOM 419 O ALA A 31 -0.567 22.616 -8.634 1.00 0.00 O ATOM 420 CB ALA A 31 1.570 20.420 -8.238 1.00 0.00 C ATOM 0 H ALA A 31 -0.370 19.421 -6.390 1.00 0.00 H new ATOM 0 HA ALA A 31 1.115 21.916 -6.829 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.771 21.122 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.503 20.177 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.132 19.509 -8.647 1.00 0.00 H new ATOM 426 N VAL A 32 -1.874 21.099 -7.604 1.00 0.00 N ATOM 427 CA VAL A 32 -3.133 21.706 -8.057 1.00 0.00 C ATOM 428 C VAL A 32 -3.397 22.984 -7.242 1.00 0.00 C ATOM 429 O VAL A 32 -3.893 23.970 -7.801 1.00 0.00 O ATOM 430 CB VAL A 32 -4.331 20.722 -7.977 1.00 0.00 C ATOM 431 CG1 VAL A 32 -5.715 21.383 -8.108 1.00 0.00 C ATOM 432 CG2 VAL A 32 -4.280 19.684 -9.107 1.00 0.00 C ATOM 0 H VAL A 32 -1.997 20.253 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.031 21.962 -9.111 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.224 20.282 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.490 20.620 -8.041 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.849 22.109 -7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.787 21.889 -9.071 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.133 19.011 -9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.315 20.193 -10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.356 19.110 -9.033 1.00 0.00 H new ATOM 442 N CYS A 33 -3.031 22.989 -5.954 1.00 0.00 N ATOM 443 CA CYS A 33 -3.212 24.099 -5.012 1.00 0.00 C ATOM 444 C CYS A 33 -1.967 24.496 -4.177 1.00 0.00 C ATOM 445 O CYS A 33 -1.936 25.607 -3.632 1.00 0.00 O ATOM 446 CB CYS A 33 -4.350 23.718 -4.066 1.00 0.00 C ATOM 447 SG CYS A 33 -3.842 22.326 -2.999 1.00 0.00 S ATOM 0 H CYS A 33 -2.580 22.183 -5.521 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.425 24.980 -5.617 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.625 24.575 -3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.234 23.442 -4.641 1.00 0.00 H new ATOM 452 N SER A 34 -0.952 23.625 -4.082 1.00 0.00 N ATOM 453 CA SER A 34 0.313 23.822 -3.340 1.00 0.00 C ATOM 454 C SER A 34 0.271 23.540 -1.814 1.00 0.00 C ATOM 455 O SER A 34 1.204 23.930 -1.102 1.00 0.00 O ATOM 456 CB SER A 34 0.953 25.189 -3.662 1.00 0.00 C ATOM 457 OG SER A 34 2.363 25.164 -3.490 1.00 0.00 O ATOM 0 H SER A 34 -0.988 22.716 -4.542 1.00 0.00 H new ATOM 0 HA SER A 34 0.960 23.031 -3.718 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.717 25.468 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.521 25.954 -3.016 1.00 0.00 H new ATOM 0 HG SER A 34 2.581 24.734 -2.637 1.00 0.00 H new ATOM 463 N LYS A 35 -0.758 22.869 -1.269 1.00 0.00 N ATOM 464 CA LYS A 35 -0.855 22.551 0.180 1.00 0.00 C ATOM 465 C LYS A 35 -0.048 21.307 0.581 1.00 0.00 C ATOM 466 O LYS A 35 0.026 20.341 -0.174 1.00 0.00 O ATOM 467 CB LYS A 35 -2.330 22.333 0.559 1.00 0.00 C ATOM 468 CG LYS A 35 -3.094 23.663 0.688 1.00 0.00 C ATOM 469 CD LYS A 35 -3.590 23.879 2.118 1.00 0.00 C ATOM 470 CE LYS A 35 -4.213 25.274 2.255 1.00 0.00 C ATOM 471 NZ LYS A 35 -4.619 25.560 3.656 1.00 0.00 N ATOM 0 H LYS A 35 -1.550 22.528 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.432 23.399 0.717 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.810 21.711 -0.196 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.386 21.790 1.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.444 24.488 0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.941 23.667 0.002 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.326 23.117 2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.762 23.772 2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.498 26.026 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.082 25.350 1.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.476 26.149 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.813 24.666 4.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.852 26.066 4.143 1.00 0.00 H new ATOM 485 N ARG A 36 0.497 21.288 1.807 1.00 0.00 N ATOM 486 CA ARG A 36 1.225 20.145 2.412 1.00 0.00 C ATOM 487 C ARG A 36 0.542 19.721 3.723 1.00 0.00 C ATOM 488 O ARG A 36 -0.242 20.490 4.268 1.00 0.00 O ATOM 489 CB ARG A 36 2.718 20.469 2.567 1.00 0.00 C ATOM 490 CG ARG A 36 3.529 19.186 2.828 1.00 0.00 C ATOM 491 CD ARG A 36 5.010 19.374 2.521 1.00 0.00 C ATOM 492 NE ARG A 36 5.725 18.089 2.661 1.00 0.00 N ATOM 493 CZ ARG A 36 6.828 17.821 3.333 1.00 0.00 C ATOM 494 NH1 ARG A 36 7.521 18.741 3.943 1.00 0.00 N ATOM 495 NH2 ARG A 36 7.254 16.594 3.398 1.00 0.00 N ATOM 0 H ARG A 36 0.445 22.092 2.432 1.00 0.00 H new ATOM 0 HA ARG A 36 1.179 19.284 1.746 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.084 20.960 1.665 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.860 21.169 3.391 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.410 18.887 3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.132 18.376 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.133 19.759 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.439 20.113 3.198 1.00 0.00 H new ATOM 0 HE ARG A 36 5.308 17.299 2.169 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.216 19.714 3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.368 18.488 4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.736 15.849 2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.106 16.377 3.915 1.00 0.00 H new ATOM 509 N ASP A 37 0.798 18.495 4.202 1.00 0.00 N ATOM 510 CA ASP A 37 0.174 17.872 5.394 1.00 0.00 C ATOM 511 C ASP A 37 -1.373 17.888 5.402 1.00 0.00 C ATOM 512 O ASP A 37 -2.041 17.851 6.438 1.00 0.00 O ATOM 513 CB ASP A 37 0.831 18.338 6.700 1.00 0.00 C ATOM 514 CG ASP A 37 0.654 19.822 7.081 1.00 0.00 C ATOM 515 OD1 ASP A 37 -0.352 20.179 7.739 1.00 0.00 O ATOM 516 OD2 ASP A 37 1.584 20.624 6.811 1.00 0.00 O ATOM 0 H ASP A 37 1.475 17.877 3.754 1.00 0.00 H new ATOM 0 HA ASP A 37 0.393 16.807 5.318 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.436 17.730 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.899 18.130 6.635 1.00 0.00 H new ATOM 521 N PHE A 38 -1.927 17.922 4.194 1.00 0.00 N ATOM 522 CA PHE A 38 -3.340 17.992 3.835 1.00 0.00 C ATOM 523 C PHE A 38 -3.747 16.810 2.949 1.00 0.00 C ATOM 524 O PHE A 38 -3.542 16.825 1.735 1.00 0.00 O ATOM 525 CB PHE A 38 -3.649 19.335 3.153 1.00 0.00 C ATOM 526 CG PHE A 38 -4.068 20.465 4.081 1.00 0.00 C ATOM 527 CD1 PHE A 38 -3.301 20.842 5.201 1.00 0.00 C ATOM 528 CD2 PHE A 38 -5.279 21.136 3.823 1.00 0.00 C ATOM 529 CE1 PHE A 38 -3.725 21.899 6.027 1.00 0.00 C ATOM 530 CE2 PHE A 38 -5.702 22.197 4.641 1.00 0.00 C ATOM 531 CZ PHE A 38 -4.924 22.579 5.747 1.00 0.00 C ATOM 0 H PHE A 38 -1.340 17.899 3.360 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.931 17.928 4.749 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.765 19.653 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -4.442 19.176 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.384 20.318 5.426 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -5.890 20.831 2.986 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.128 22.189 6.879 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -6.622 22.717 4.420 1.00 0.00 H new ATOM 0 HZ PHE A 38 -5.246 23.392 6.380 1.00 0.00 H new ATOM 541 N MET A 39 -4.360 15.796 3.558 1.00 0.00 N ATOM 542 CA MET A 39 -4.873 14.618 2.844 1.00 0.00 C ATOM 543 C MET A 39 -5.937 13.810 3.601 1.00 0.00 C ATOM 544 O MET A 39 -5.936 13.719 4.830 1.00 0.00 O ATOM 545 CB MET A 39 -3.750 13.670 2.373 1.00 0.00 C ATOM 546 CG MET A 39 -2.651 13.402 3.413 1.00 0.00 C ATOM 547 SD MET A 39 -1.014 14.083 3.025 1.00 0.00 S ATOM 548 CE MET A 39 -0.648 13.181 1.492 1.00 0.00 C ATOM 0 H MET A 39 -4.518 15.764 4.565 1.00 0.00 H new ATOM 0 HA MET A 39 -5.367 15.055 1.976 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.196 12.718 2.083 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.289 14.092 1.480 1.00 0.00 H new ATOM 0 HG2 MET A 39 -2.976 13.810 4.370 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.554 12.324 3.542 1.00 0.00 H new ATOM 0 HE1 MET A 39 0.416 12.950 1.451 1.00 0.00 H new ATOM 0 HE2 MET A 39 -1.221 12.254 1.469 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.919 13.796 0.634 1.00 0.00 H new ATOM 558 N LEU A 40 -6.808 13.197 2.800 1.00 0.00 N ATOM 559 CA LEU A 40 -7.938 12.313 3.099 1.00 0.00 C ATOM 560 C LEU A 40 -7.798 11.017 2.276 1.00 0.00 C ATOM 561 O LEU A 40 -7.028 10.954 1.315 1.00 0.00 O ATOM 562 CB LEU A 40 -9.249 13.041 2.705 1.00 0.00 C ATOM 563 CG LEU A 40 -9.961 13.912 3.757 1.00 0.00 C ATOM 564 CD1 LEU A 40 -10.972 13.080 4.553 1.00 0.00 C ATOM 565 CD2 LEU A 40 -9.049 14.570 4.776 1.00 0.00 C ATOM 0 H LEU A 40 -6.727 13.326 1.791 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.955 12.065 4.160 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.029 13.675 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.958 12.284 2.369 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.431 14.698 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.464 13.714 5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.718 12.667 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.454 12.267 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.646 15.160 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.505 13.803 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.340 15.221 4.264 1.00 0.00 H new ATOM 577 N ILE A 41 -8.590 10.001 2.622 1.00 0.00 N ATOM 578 CA ILE A 41 -8.683 8.709 1.934 1.00 0.00 C ATOM 579 C ILE A 41 -10.168 8.454 1.660 1.00 0.00 C ATOM 580 O ILE A 41 -11.012 8.658 2.537 1.00 0.00 O ATOM 581 CB ILE A 41 -8.065 7.587 2.803 1.00 0.00 C ATOM 582 CG1 ILE A 41 -6.534 7.769 2.938 1.00 0.00 C ATOM 583 CG2 ILE A 41 -8.408 6.193 2.232 1.00 0.00 C ATOM 584 CD1 ILE A 41 -5.889 6.861 3.996 1.00 0.00 C ATOM 0 H ILE A 41 -9.214 10.058 3.427 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.125 8.721 0.997 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.500 7.658 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.068 7.572 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.322 8.809 3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.962 5.422 2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.490 6.064 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.014 6.108 1.219 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.816 7.048 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.326 7.073 4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -6.067 5.817 3.737 1.00 0.00 H new ATOM 596 N THR A 42 -10.492 7.999 0.450 1.00 0.00 N ATOM 597 CA THR A 42 -11.870 7.675 0.045 1.00 0.00 C ATOM 598 C THR A 42 -11.910 6.516 -0.955 1.00 0.00 C ATOM 599 O THR A 42 -10.865 6.068 -1.431 1.00 0.00 O ATOM 600 CB THR A 42 -12.602 8.929 -0.478 1.00 0.00 C ATOM 601 OG1 THR A 42 -13.977 8.786 -0.195 1.00 0.00 O ATOM 602 CG2 THR A 42 -12.481 9.164 -1.986 1.00 0.00 C ATOM 0 H THR A 42 -9.804 7.842 -0.286 1.00 0.00 H new ATOM 0 HA THR A 42 -12.408 7.335 0.930 1.00 0.00 H new ATOM 0 HB THR A 42 -12.132 9.778 0.019 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.461 9.574 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.027 10.067 -2.258 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.431 9.281 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 42 -12.899 8.312 -2.522 1.00 0.00 H new ATOM 610 N ASN A 43 -13.113 6.035 -1.284 1.00 0.00 N ATOM 611 CA ASN A 43 -13.413 4.945 -2.235 1.00 0.00 C ATOM 612 C ASN A 43 -12.737 3.584 -1.928 1.00 0.00 C ATOM 613 O ASN A 43 -12.706 2.686 -2.773 1.00 0.00 O ATOM 614 CB ASN A 43 -13.282 5.484 -3.686 1.00 0.00 C ATOM 615 CG ASN A 43 -12.110 4.981 -4.520 1.00 0.00 C ATOM 616 OD1 ASN A 43 -12.279 4.423 -5.597 1.00 0.00 O ATOM 617 ND2 ASN A 43 -10.897 5.185 -4.071 1.00 0.00 N ATOM 0 H ASN A 43 -13.963 6.418 -0.869 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.453 4.647 -2.102 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -14.202 5.243 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -13.218 6.571 -3.637 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.092 4.879 -4.618 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.757 5.650 -3.174 1.00 0.00 H new ATOM 624 N LYS A 44 -12.201 3.436 -0.706 1.00 0.00 N ATOM 625 CA LYS A 44 -11.488 2.259 -0.192 1.00 0.00 C ATOM 626 C LYS A 44 -12.254 0.948 -0.406 1.00 0.00 C ATOM 627 O LYS A 44 -13.287 0.704 0.224 1.00 0.00 O ATOM 628 CB LYS A 44 -11.154 2.480 1.295 1.00 0.00 C ATOM 629 CG LYS A 44 -9.950 1.646 1.752 1.00 0.00 C ATOM 630 CD LYS A 44 -9.874 1.510 3.277 1.00 0.00 C ATOM 631 CE LYS A 44 -8.569 0.814 3.686 1.00 0.00 C ATOM 632 NZ LYS A 44 -7.398 1.720 3.577 1.00 0.00 N ATOM 0 H LYS A 44 -12.258 4.180 -0.010 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.566 2.151 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.947 3.536 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.022 2.223 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.009 0.654 1.305 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.033 2.107 1.386 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.929 2.495 3.740 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.728 0.939 3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.656 0.455 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.411 -0.060 3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.565 1.176 3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.598 2.464 2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.209 2.156 4.502 1.00 0.00 H new ATOM 646 N SER A 45 -11.733 0.112 -1.297 1.00 0.00 N ATOM 647 CA SER A 45 -12.266 -1.204 -1.648 1.00 0.00 C ATOM 648 C SER A 45 -11.405 -2.338 -1.092 1.00 0.00 C ATOM 649 O SER A 45 -10.202 -2.182 -0.861 1.00 0.00 O ATOM 650 CB SER A 45 -12.369 -1.316 -3.173 1.00 0.00 C ATOM 651 OG SER A 45 -13.356 -0.427 -3.674 1.00 0.00 O ATOM 0 H SER A 45 -10.888 0.342 -1.820 1.00 0.00 H new ATOM 0 HA SER A 45 -13.254 -1.301 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.404 -1.089 -3.626 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.619 -2.340 -3.452 1.00 0.00 H new ATOM 0 HG SER A 45 -13.153 0.486 -3.381 1.00 0.00 H new ATOM 657 N LEU A 46 -12.026 -3.505 -0.916 1.00 0.00 N ATOM 658 CA LEU A 46 -11.406 -4.736 -0.430 1.00 0.00 C ATOM 659 C LEU A 46 -11.955 -5.943 -1.202 1.00 0.00 C ATOM 660 O LEU A 46 -13.155 -6.026 -1.480 1.00 0.00 O ATOM 661 CB LEU A 46 -11.592 -4.854 1.094 1.00 0.00 C ATOM 662 CG LEU A 46 -11.159 -6.221 1.681 1.00 0.00 C ATOM 663 CD1 LEU A 46 -10.563 -6.034 3.079 1.00 0.00 C ATOM 664 CD2 LEU A 46 -12.324 -7.206 1.823 1.00 0.00 C ATOM 0 H LEU A 46 -13.019 -3.622 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.332 -4.711 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.020 -4.064 1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.641 -4.683 1.335 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.430 -6.626 0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.263 -7.003 3.479 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.692 -5.381 3.019 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.309 -5.585 3.735 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.958 -8.145 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -13.078 -6.784 2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.766 -7.391 0.844 1.00 0.00 H new ATOM 676 N LYS A 47 -11.057 -6.863 -1.563 1.00 0.00 N ATOM 677 CA LYS A 47 -11.318 -8.079 -2.338 1.00 0.00 C ATOM 678 C LYS A 47 -10.682 -9.301 -1.692 1.00 0.00 C ATOM 679 O LYS A 47 -9.620 -9.186 -1.089 1.00 0.00 O ATOM 680 CB LYS A 47 -10.796 -7.890 -3.766 1.00 0.00 C ATOM 681 CG LYS A 47 -11.764 -8.415 -4.825 1.00 0.00 C ATOM 682 CD LYS A 47 -11.277 -8.056 -6.236 1.00 0.00 C ATOM 683 CE LYS A 47 -12.204 -8.622 -7.319 1.00 0.00 C ATOM 684 NZ LYS A 47 -12.001 -10.079 -7.514 1.00 0.00 N ATOM 0 H LYS A 47 -10.073 -6.775 -1.308 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.394 -8.251 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.611 -6.831 -3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -9.839 -8.402 -3.869 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.859 -9.497 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.755 -7.993 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.220 -6.972 -6.336 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.269 -8.443 -6.382 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.242 -8.434 -7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.024 -8.101 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.669 -10.430 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.027 -10.254 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.164 -10.576 -6.615 1.00 0.00 H new ATOM 698 N GLU A 48 -11.309 -10.466 -1.809 1.00 0.00 N ATOM 699 CA GLU A 48 -10.740 -11.709 -1.263 1.00 0.00 C ATOM 700 C GLU A 48 -10.970 -12.918 -2.190 1.00 0.00 C ATOM 701 O GLU A 48 -12.106 -13.357 -2.391 1.00 0.00 O ATOM 702 CB GLU A 48 -11.364 -12.007 0.115 1.00 0.00 C ATOM 703 CG GLU A 48 -11.140 -10.938 1.190 1.00 0.00 C ATOM 704 CD GLU A 48 -11.764 -11.391 2.525 1.00 0.00 C ATOM 705 OE1 GLU A 48 -11.114 -12.151 3.283 1.00 0.00 O ATOM 706 OE2 GLU A 48 -12.920 -11.004 2.823 1.00 0.00 O ATOM 0 H GLU A 48 -12.209 -10.584 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.665 -11.556 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.437 -12.146 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.962 -12.952 0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.073 -10.760 1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.584 -9.994 0.874 1.00 0.00 H new ATOM 713 N GLU A 49 -9.883 -13.503 -2.709 1.00 0.00 N ATOM 714 CA GLU A 49 -9.875 -14.749 -3.494 1.00 0.00 C ATOM 715 C GLU A 49 -9.051 -15.876 -2.845 1.00 0.00 C ATOM 716 O GLU A 49 -7.839 -15.752 -2.710 1.00 0.00 O ATOM 717 CB GLU A 49 -9.398 -14.523 -4.937 1.00 0.00 C ATOM 718 CG GLU A 49 -10.477 -13.982 -5.888 1.00 0.00 C ATOM 719 CD GLU A 49 -10.759 -12.477 -5.741 1.00 0.00 C ATOM 720 OE1 GLU A 49 -9.836 -11.652 -5.931 1.00 0.00 O ATOM 721 OE2 GLU A 49 -11.940 -12.088 -5.574 1.00 0.00 O ATOM 0 H GLU A 49 -8.950 -13.109 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.916 -15.072 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.560 -13.826 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.022 -15.466 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.172 -14.183 -6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.403 -14.531 -5.717 1.00 0.00 H new ATOM 728 N ASP A 50 -9.663 -17.024 -2.557 1.00 0.00 N ATOM 729 CA ASP A 50 -9.018 -18.276 -2.084 1.00 0.00 C ATOM 730 C ASP A 50 -7.956 -18.182 -0.951 1.00 0.00 C ATOM 731 O ASP A 50 -7.118 -19.074 -0.786 1.00 0.00 O ATOM 732 CB ASP A 50 -8.451 -18.984 -3.333 1.00 0.00 C ATOM 733 CG ASP A 50 -8.187 -20.488 -3.130 1.00 0.00 C ATOM 734 OD1 ASP A 50 -9.071 -21.198 -2.589 1.00 0.00 O ATOM 735 OD2 ASP A 50 -7.122 -20.985 -3.573 1.00 0.00 O ATOM 0 H ASP A 50 -10.674 -17.125 -2.648 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.800 -18.841 -1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.149 -18.856 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.520 -18.497 -3.624 1.00 0.00 H new ATOM 740 N GLY A 51 -7.962 -17.097 -0.176 1.00 0.00 N ATOM 741 CA GLY A 51 -7.004 -16.799 0.907 1.00 0.00 C ATOM 742 C GLY A 51 -6.217 -15.503 0.671 1.00 0.00 C ATOM 743 O GLY A 51 -5.715 -14.904 1.623 1.00 0.00 O ATOM 0 H GLY A 51 -8.663 -16.365 -0.285 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.543 -16.723 1.851 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.305 -17.629 1.005 1.00 0.00 H new ATOM 747 N GLU A 52 -6.141 -15.039 -0.579 1.00 0.00 N ATOM 748 CA GLU A 52 -5.543 -13.759 -0.954 1.00 0.00 C ATOM 749 C GLU A 52 -6.497 -12.633 -0.537 1.00 0.00 C ATOM 750 O GLU A 52 -7.698 -12.706 -0.795 1.00 0.00 O ATOM 751 CB GLU A 52 -5.268 -13.718 -2.474 1.00 0.00 C ATOM 752 CG GLU A 52 -4.711 -12.383 -3.010 1.00 0.00 C ATOM 753 CD GLU A 52 -4.521 -12.364 -4.547 1.00 0.00 C ATOM 754 OE1 GLU A 52 -4.945 -13.306 -5.263 1.00 0.00 O ATOM 755 OE2 GLU A 52 -3.952 -11.373 -5.067 1.00 0.00 O ATOM 0 H GLU A 52 -6.504 -15.559 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.588 -13.630 -0.444 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.562 -14.511 -2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.196 -13.942 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.387 -11.576 -2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.753 -12.180 -2.531 1.00 0.00 H new ATOM 762 N GLU A 53 -5.961 -11.575 0.064 1.00 0.00 N ATOM 763 CA GLU A 53 -6.689 -10.377 0.469 1.00 0.00 C ATOM 764 C GLU A 53 -6.119 -9.181 -0.293 1.00 0.00 C ATOM 765 O GLU A 53 -4.907 -8.971 -0.312 1.00 0.00 O ATOM 766 CB GLU A 53 -6.570 -10.143 1.985 1.00 0.00 C ATOM 767 CG GLU A 53 -7.184 -11.271 2.827 1.00 0.00 C ATOM 768 CD GLU A 53 -7.143 -10.931 4.331 1.00 0.00 C ATOM 769 OE1 GLU A 53 -7.864 -10.003 4.773 1.00 0.00 O ATOM 770 OE2 GLU A 53 -6.397 -11.597 5.091 1.00 0.00 O ATOM 0 H GLU A 53 -4.968 -11.527 0.291 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.746 -10.504 0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.517 -10.036 2.247 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.059 -9.203 2.239 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.216 -11.439 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.642 -12.199 2.647 1.00 0.00 H new ATOM 777 N ILE A 54 -6.975 -8.378 -0.920 1.00 0.00 N ATOM 778 CA ILE A 54 -6.569 -7.219 -1.708 1.00 0.00 C ATOM 779 C ILE A 54 -7.248 -5.969 -1.153 1.00 0.00 C ATOM 780 O ILE A 54 -8.430 -6.008 -0.817 1.00 0.00 O ATOM 781 CB ILE A 54 -6.904 -7.414 -3.204 1.00 0.00 C ATOM 782 CG1 ILE A 54 -6.328 -8.724 -3.796 1.00 0.00 C ATOM 783 CG2 ILE A 54 -6.322 -6.222 -3.971 1.00 0.00 C ATOM 784 CD1 ILE A 54 -7.309 -9.905 -3.775 1.00 0.00 C ATOM 0 H ILE A 54 -7.985 -8.517 -0.894 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.488 -7.102 -1.634 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.988 -7.479 -3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.019 -8.540 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.433 -8.999 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.542 -6.330 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.767 -5.299 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.242 -6.188 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.830 -10.784 -4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.600 -10.118 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.195 -9.652 -4.357 1.00 0.00 H new ATOM 796 N VAL A 55 -6.518 -4.856 -1.088 1.00 0.00 N ATOM 797 CA VAL A 55 -7.021 -3.556 -0.633 1.00 0.00 C ATOM 798 C VAL A 55 -6.589 -2.486 -1.629 1.00 0.00 C ATOM 799 O VAL A 55 -5.395 -2.252 -1.822 1.00 0.00 O ATOM 800 CB VAL A 55 -6.454 -3.235 0.763 1.00 0.00 C ATOM 801 CG1 VAL A 55 -7.007 -1.914 1.297 1.00 0.00 C ATOM 802 CG2 VAL A 55 -6.763 -4.344 1.778 1.00 0.00 C ATOM 0 H VAL A 55 -5.534 -4.831 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.109 -3.582 -0.570 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.374 -3.158 0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.588 -1.716 2.283 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.736 -1.105 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.093 -1.977 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.345 -4.076 2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.843 -4.464 1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.321 -5.281 1.439 1.00 0.00 H new ATOM 812 N THR A 56 -7.553 -1.821 -2.263 1.00 0.00 N ATOM 813 CA THR A 56 -7.301 -0.725 -3.217 1.00 0.00 C ATOM 814 C THR A 56 -7.989 0.577 -2.794 1.00 0.00 C ATOM 815 O THR A 56 -9.172 0.563 -2.450 1.00 0.00 O ATOM 816 CB THR A 56 -7.602 -1.150 -4.662 1.00 0.00 C ATOM 817 OG1 THR A 56 -8.977 -1.405 -4.869 1.00 0.00 O ATOM 818 CG2 THR A 56 -6.848 -2.435 -5.030 1.00 0.00 C ATOM 0 H THR A 56 -8.544 -2.025 -2.132 1.00 0.00 H new ATOM 0 HA THR A 56 -6.234 -0.503 -3.194 1.00 0.00 H new ATOM 0 HB THR A 56 -7.281 -0.316 -5.286 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.124 -1.670 -5.801 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.081 -2.711 -6.058 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.775 -2.268 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.152 -3.240 -4.360 1.00 0.00 H new ATOM 826 N TYR A 57 -7.289 1.713 -2.823 1.00 0.00 N ATOM 827 CA TYR A 57 -7.845 3.027 -2.462 1.00 0.00 C ATOM 828 C TYR A 57 -7.136 4.199 -3.166 1.00 0.00 C ATOM 829 O TYR A 57 -6.290 4.008 -4.043 1.00 0.00 O ATOM 830 CB TYR A 57 -7.880 3.191 -0.936 1.00 0.00 C ATOM 831 CG TYR A 57 -6.565 3.190 -0.183 1.00 0.00 C ATOM 832 CD1 TYR A 57 -5.973 1.964 0.177 1.00 0.00 C ATOM 833 CD2 TYR A 57 -5.989 4.400 0.251 1.00 0.00 C ATOM 834 CE1 TYR A 57 -4.823 1.946 0.987 1.00 0.00 C ATOM 835 CE2 TYR A 57 -4.853 4.385 1.082 1.00 0.00 C ATOM 836 CZ TYR A 57 -4.271 3.157 1.461 1.00 0.00 C ATOM 837 OH TYR A 57 -3.204 3.144 2.302 1.00 0.00 O ATOM 0 H TYR A 57 -6.308 1.751 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.871 3.058 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.389 4.129 -0.714 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.496 2.389 -0.530 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -6.403 1.036 -0.169 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -6.420 5.342 -0.055 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.361 1.005 1.247 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.427 5.314 1.430 1.00 0.00 H new ATOM 0 HH TYR A 57 -2.954 4.064 2.527 1.00 0.00 H new ATOM 847 N ASP A 58 -7.460 5.423 -2.753 1.00 0.00 N ATOM 848 CA ASP A 58 -6.939 6.662 -3.325 1.00 0.00 C ATOM 849 C ASP A 58 -6.696 7.680 -2.191 1.00 0.00 C ATOM 850 O ASP A 58 -7.331 7.616 -1.132 1.00 0.00 O ATOM 851 CB ASP A 58 -8.023 7.267 -4.256 1.00 0.00 C ATOM 852 CG ASP A 58 -8.306 6.532 -5.584 1.00 0.00 C ATOM 853 OD1 ASP A 58 -8.579 5.310 -5.592 1.00 0.00 O ATOM 854 OD2 ASP A 58 -8.352 7.213 -6.636 1.00 0.00 O ATOM 0 H ASP A 58 -8.113 5.584 -1.986 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.016 6.455 -3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.956 7.322 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.732 8.290 -4.492 1.00 0.00 H new ATOM 859 N HIS A 59 -5.830 8.662 -2.446 1.00 0.00 N ATOM 860 CA HIS A 59 -5.511 9.770 -1.535 1.00 0.00 C ATOM 861 C HIS A 59 -6.045 11.067 -2.155 1.00 0.00 C ATOM 862 O HIS A 59 -5.953 11.249 -3.369 1.00 0.00 O ATOM 863 CB HIS A 59 -3.997 9.886 -1.291 1.00 0.00 C ATOM 864 CG HIS A 59 -3.298 8.635 -0.802 1.00 0.00 C ATOM 865 ND1 HIS A 59 -2.907 8.368 0.495 1.00 0.00 N ATOM 866 CD2 HIS A 59 -2.726 7.665 -1.591 1.00 0.00 C ATOM 867 CE1 HIS A 59 -2.110 7.283 0.476 1.00 0.00 C ATOM 868 NE2 HIS A 59 -1.966 6.818 -0.773 1.00 0.00 N ATOM 0 H HIS A 59 -5.311 8.712 -3.323 1.00 0.00 H new ATOM 0 HA HIS A 59 -5.979 9.583 -0.568 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -3.524 10.201 -2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.828 10.679 -0.563 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -3.175 8.900 1.323 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -2.843 7.572 -2.661 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -1.649 6.846 1.349 1.00 0.00 H new ATOM 876 N LEU A 60 -6.603 11.973 -1.353 1.00 0.00 N ATOM 877 CA LEU A 60 -7.232 13.218 -1.809 1.00 0.00 C ATOM 878 C LEU A 60 -6.752 14.406 -0.987 1.00 0.00 C ATOM 879 O LEU A 60 -6.742 14.335 0.239 1.00 0.00 O ATOM 880 CB LEU A 60 -8.770 13.148 -1.688 1.00 0.00 C ATOM 881 CG LEU A 60 -9.482 12.268 -2.726 1.00 0.00 C ATOM 882 CD1 LEU A 60 -9.518 10.792 -2.332 1.00 0.00 C ATOM 883 CD2 LEU A 60 -10.944 12.698 -2.858 1.00 0.00 C ATOM 0 H LEU A 60 -6.632 11.861 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.949 13.345 -2.854 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.021 12.779 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.168 14.160 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.919 12.390 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.034 10.222 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.499 10.419 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.047 10.681 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.443 12.070 -3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.443 12.592 -1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.990 13.739 -3.178 1.00 0.00 H new ATOM 895 N CYS A 61 -6.403 15.502 -1.653 1.00 0.00 N ATOM 896 CA CYS A 61 -5.971 16.746 -1.027 1.00 0.00 C ATOM 897 C CYS A 61 -7.071 17.302 -0.104 1.00 0.00 C ATOM 898 O CYS A 61 -8.198 17.539 -0.536 1.00 0.00 O ATOM 899 CB CYS A 61 -5.604 17.692 -2.184 1.00 0.00 C ATOM 900 SG CYS A 61 -4.597 19.111 -1.654 1.00 0.00 S ATOM 0 H CYS A 61 -6.413 15.550 -2.672 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.107 16.609 -0.376 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.060 17.132 -2.945 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -6.519 18.057 -2.651 1.00 0.00 H new ATOM 905 N LYS A 62 -6.785 17.527 1.183 1.00 0.00 N ATOM 906 CA LYS A 62 -7.768 18.096 2.131 1.00 0.00 C ATOM 907 C LYS A 62 -8.201 19.523 1.721 1.00 0.00 C ATOM 908 O LYS A 62 -9.205 20.027 2.225 1.00 0.00 O ATOM 909 CB LYS A 62 -7.173 18.015 3.556 1.00 0.00 C ATOM 910 CG LYS A 62 -7.832 18.835 4.679 1.00 0.00 C ATOM 911 CD LYS A 62 -9.258 18.390 5.015 1.00 0.00 C ATOM 912 CE LYS A 62 -9.865 19.344 6.052 1.00 0.00 C ATOM 913 NZ LYS A 62 -11.236 18.931 6.452 1.00 0.00 N ATOM 0 H LYS A 62 -5.877 17.324 1.601 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.690 17.514 2.112 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.185 16.968 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.128 18.318 3.495 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -7.218 18.763 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.848 19.885 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.869 18.382 4.112 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.250 17.372 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.224 19.377 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.895 20.354 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -11.610 19.602 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.854 18.924 5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.204 17.978 6.867 1.00 0.00 H new ATOM 927 N ASN A 63 -7.486 20.169 0.791 1.00 0.00 N ATOM 928 CA ASN A 63 -7.778 21.513 0.312 1.00 0.00 C ATOM 929 C ASN A 63 -8.631 21.487 -0.969 1.00 0.00 C ATOM 930 O ASN A 63 -9.798 21.886 -0.928 1.00 0.00 O ATOM 931 CB ASN A 63 -6.459 22.267 0.117 1.00 0.00 C ATOM 932 CG ASN A 63 -6.704 23.661 -0.430 1.00 0.00 C ATOM 933 OD1 ASN A 63 -7.397 24.472 0.171 1.00 0.00 O ATOM 934 ND2 ASN A 63 -6.150 23.994 -1.566 1.00 0.00 N ATOM 0 H ASN A 63 -6.668 19.755 0.343 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.376 22.040 1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -5.930 22.334 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -5.817 21.712 -0.567 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.295 24.928 -1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.572 23.320 -2.069 1.00 0.00 H new ATOM 941 N CYS A 64 -8.074 21.016 -2.091 1.00 0.00 N ATOM 942 CA CYS A 64 -8.750 20.977 -3.390 1.00 0.00 C ATOM 943 C CYS A 64 -9.492 19.655 -3.701 1.00 0.00 C ATOM 944 O CYS A 64 -10.206 19.571 -4.707 1.00 0.00 O ATOM 945 CB CYS A 64 -7.741 21.374 -4.491 1.00 0.00 C ATOM 946 SG CYS A 64 -6.228 20.345 -4.556 1.00 0.00 S ATOM 0 H CYS A 64 -7.124 20.645 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.560 21.705 -3.356 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.241 21.321 -5.458 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.450 22.413 -4.339 1.00 0.00 H new ATOM 951 N HIS A 65 -9.361 18.628 -2.847 1.00 0.00 N ATOM 952 CA HIS A 65 -9.951 17.277 -3.001 1.00 0.00 C ATOM 953 C HIS A 65 -9.645 16.581 -4.333 1.00 0.00 C ATOM 954 O HIS A 65 -10.298 15.609 -4.718 1.00 0.00 O ATOM 955 CB HIS A 65 -11.418 17.242 -2.548 1.00 0.00 C ATOM 956 CG HIS A 65 -11.557 17.564 -1.080 1.00 0.00 C ATOM 957 ND1 HIS A 65 -11.868 18.802 -0.541 1.00 0.00 N ATOM 958 CD2 HIS A 65 -11.327 16.700 -0.040 1.00 0.00 C ATOM 959 CE1 HIS A 65 -11.841 18.689 0.802 1.00 0.00 C ATOM 960 NE2 HIS A 65 -11.526 17.418 1.128 1.00 0.00 N ATOM 0 H HIS A 65 -8.817 18.715 -1.989 1.00 0.00 H new ATOM 0 HA HIS A 65 -9.419 16.631 -2.303 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.997 17.956 -3.134 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -11.836 16.255 -2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.045 15.660 -0.117 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.039 19.486 1.503 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.448 17.048 2.075 1.00 0.00 H new ATOM 969 N HIS A 66 -8.586 17.028 -4.995 1.00 0.00 N ATOM 970 CA HIS A 66 -7.996 16.387 -6.159 1.00 0.00 C ATOM 971 C HIS A 66 -7.351 15.070 -5.688 1.00 0.00 C ATOM 972 O HIS A 66 -6.834 15.000 -4.567 1.00 0.00 O ATOM 973 CB HIS A 66 -6.959 17.347 -6.729 1.00 0.00 C ATOM 974 CG HIS A 66 -5.642 16.737 -7.084 1.00 0.00 C ATOM 975 ND1 HIS A 66 -5.290 16.179 -8.292 1.00 0.00 N ATOM 976 CD2 HIS A 66 -4.505 16.917 -6.347 1.00 0.00 C ATOM 977 CE1 HIS A 66 -3.948 16.132 -8.324 1.00 0.00 C ATOM 978 NE2 HIS A 66 -3.437 16.615 -7.178 1.00 0.00 N ATOM 0 H HIS A 66 -8.096 17.881 -4.724 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.729 16.159 -6.933 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.375 17.815 -7.621 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.787 18.142 -6.003 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.927 15.862 -9.023 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.449 17.234 -5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.363 15.759 -9.152 1.00 0.00 H new ATOM 986 N VAL A 67 -7.350 14.028 -6.524 1.00 0.00 N ATOM 987 CA VAL A 67 -6.715 12.752 -6.179 1.00 0.00 C ATOM 988 C VAL A 67 -5.191 12.880 -6.294 1.00 0.00 C ATOM 989 O VAL A 67 -4.637 12.898 -7.396 1.00 0.00 O ATOM 990 CB VAL A 67 -7.260 11.596 -7.033 1.00 0.00 C ATOM 991 CG1 VAL A 67 -6.560 10.284 -6.679 1.00 0.00 C ATOM 992 CG2 VAL A 67 -8.765 11.396 -6.800 1.00 0.00 C ATOM 0 H VAL A 67 -7.783 14.043 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.961 12.511 -5.145 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.074 11.858 -8.075 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.961 9.480 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.490 10.382 -6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.729 10.054 -5.627 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.122 10.572 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.943 11.166 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.299 12.308 -7.068 1.00 0.00 H new ATOM 1002 N ILE A 68 -4.525 12.953 -5.139 1.00 0.00 N ATOM 1003 CA ILE A 68 -3.065 13.066 -5.002 1.00 0.00 C ATOM 1004 C ILE A 68 -2.356 11.845 -5.605 1.00 0.00 C ATOM 1005 O ILE A 68 -1.362 11.976 -6.325 1.00 0.00 O ATOM 1006 CB ILE A 68 -2.713 13.239 -3.505 1.00 0.00 C ATOM 1007 CG1 ILE A 68 -3.111 14.677 -3.113 1.00 0.00 C ATOM 1008 CG2 ILE A 68 -1.228 12.951 -3.184 1.00 0.00 C ATOM 1009 CD1 ILE A 68 -2.976 14.979 -1.624 1.00 0.00 C ATOM 0 H ILE A 68 -5.003 12.935 -4.238 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.717 13.939 -5.555 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.264 12.504 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.492 15.379 -3.672 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.144 14.852 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.052 13.092 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.989 11.924 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.594 13.634 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.275 16.010 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.617 14.304 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.940 14.839 -1.317 1.00 0.00 H new ATOM 1021 N ALA A 69 -2.865 10.646 -5.295 1.00 0.00 N ATOM 1022 CA ALA A 69 -2.285 9.369 -5.701 1.00 0.00 C ATOM 1023 C ALA A 69 -3.276 8.196 -5.549 1.00 0.00 C ATOM 1024 O ALA A 69 -4.300 8.315 -4.868 1.00 0.00 O ATOM 1025 CB ALA A 69 -1.052 9.155 -4.802 1.00 0.00 C ATOM 0 H ALA A 69 -3.714 10.539 -4.740 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.021 9.396 -6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.573 8.210 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.346 9.972 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.363 9.131 -3.758 1.00 0.00 H new ATOM 1031 N ARG A 70 -2.933 7.039 -6.134 1.00 0.00 N ATOM 1032 CA ARG A 70 -3.663 5.766 -6.018 1.00 0.00 C ATOM 1033 C ARG A 70 -2.782 4.750 -5.294 1.00 0.00 C ATOM 1034 O ARG A 70 -1.583 4.689 -5.565 1.00 0.00 O ATOM 1035 CB ARG A 70 -4.042 5.192 -7.391 1.00 0.00 C ATOM 1036 CG ARG A 70 -5.390 5.675 -7.924 1.00 0.00 C ATOM 1037 CD ARG A 70 -5.352 7.076 -8.540 1.00 0.00 C ATOM 1038 NE ARG A 70 -6.722 7.504 -8.860 1.00 0.00 N ATOM 1039 CZ ARG A 70 -7.188 8.094 -9.940 1.00 0.00 C ATOM 1040 NH1 ARG A 70 -6.440 8.386 -10.966 1.00 0.00 N ATOM 1041 NH2 ARG A 70 -8.449 8.409 -9.991 1.00 0.00 N ATOM 0 H ARG A 70 -2.106 6.960 -6.725 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.581 5.960 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.265 5.455 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.059 4.104 -7.325 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.746 4.969 -8.674 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.115 5.667 -7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.892 7.779 -7.845 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.740 7.073 -9.442 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.415 7.315 -8.136 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.446 8.157 -10.954 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.848 8.844 -11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.060 8.198 -9.202 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.827 8.867 -10.820 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.407 3.947 -4.433 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.776 2.935 -3.581 1.00 0.00 C ATOM 1057 C HIS A 71 -3.363 1.543 -3.798 1.00 0.00 C ATOM 1058 O HIS A 71 -4.581 1.363 -3.884 1.00 0.00 O ATOM 1059 CB HIS A 71 -3.028 3.314 -2.114 1.00 0.00 C ATOM 1060 CG HIS A 71 -2.105 2.653 -1.111 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -1.116 3.348 -0.413 1.00 0.00 N ATOM 1062 CD2 HIS A 71 -2.071 1.331 -0.728 1.00 0.00 C ATOM 1063 CE1 HIS A 71 -0.506 2.444 0.367 1.00 0.00 C ATOM 1064 NE2 HIS A 71 -1.072 1.232 0.218 1.00 0.00 N ATOM 0 H HIS A 71 -4.418 3.985 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.716 2.908 -3.832 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.934 4.395 -2.013 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -4.057 3.059 -1.861 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -2.700 0.533 -1.094 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.324 2.659 1.024 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.807 0.384 0.719 1.00 0.00 H new ATOM 1072 N GLU A 72 -2.502 0.537 -3.821 1.00 0.00 N ATOM 1073 CA GLU A 72 -2.871 -0.866 -3.909 1.00 0.00 C ATOM 1074 C GLU A 72 -1.970 -1.673 -2.969 1.00 0.00 C ATOM 1075 O GLU A 72 -0.748 -1.533 -2.977 1.00 0.00 O ATOM 1076 CB GLU A 72 -2.758 -1.343 -5.369 1.00 0.00 C ATOM 1077 CG GLU A 72 -2.822 -2.870 -5.490 1.00 0.00 C ATOM 1078 CD GLU A 72 -2.997 -3.303 -6.959 1.00 0.00 C ATOM 1079 OE1 GLU A 72 -4.153 -3.374 -7.441 1.00 0.00 O ATOM 1080 OE2 GLU A 72 -1.981 -3.575 -7.642 1.00 0.00 O ATOM 0 H GLU A 72 -1.493 0.681 -3.777 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.906 -1.012 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.562 -0.900 -5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -1.820 -0.986 -5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.910 -3.309 -5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.651 -3.251 -4.894 1.00 0.00 H new ATOM 1087 N TYR A 73 -2.576 -2.550 -2.178 1.00 0.00 N ATOM 1088 CA TYR A 73 -1.899 -3.498 -1.303 1.00 0.00 C ATOM 1089 C TYR A 73 -2.550 -4.856 -1.546 1.00 0.00 C ATOM 1090 O TYR A 73 -3.770 -4.988 -1.461 1.00 0.00 O ATOM 1091 CB TYR A 73 -2.008 -3.070 0.167 1.00 0.00 C ATOM 1092 CG TYR A 73 -1.790 -4.196 1.169 1.00 0.00 C ATOM 1093 CD1 TYR A 73 -0.534 -4.823 1.316 1.00 0.00 C ATOM 1094 CD2 TYR A 73 -2.882 -4.660 1.925 1.00 0.00 C ATOM 1095 CE1 TYR A 73 -0.365 -5.876 2.235 1.00 0.00 C ATOM 1096 CE2 TYR A 73 -2.719 -5.702 2.853 1.00 0.00 C ATOM 1097 CZ TYR A 73 -1.452 -6.293 3.035 1.00 0.00 C ATOM 1098 OH TYR A 73 -1.276 -7.260 3.976 1.00 0.00 O ATOM 0 H TYR A 73 -3.592 -2.623 -2.127 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.832 -3.542 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.278 -2.283 0.359 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.994 -2.637 0.334 1.00 0.00 H new ATOM 0 HD1 TYR A 73 0.303 -4.493 0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.855 -4.211 1.791 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.594 -6.364 2.328 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.565 -6.051 3.427 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.536 -7.845 3.709 1.00 0.00 H new ATOM 1108 N THR A 74 -1.756 -5.870 -1.867 1.00 0.00 N ATOM 1109 CA THR A 74 -2.260 -7.226 -2.118 1.00 0.00 C ATOM 1110 C THR A 74 -1.466 -8.208 -1.251 1.00 0.00 C ATOM 1111 O THR A 74 -0.244 -8.109 -1.117 1.00 0.00 O ATOM 1112 CB THR A 74 -2.237 -7.616 -3.616 1.00 0.00 C ATOM 1113 OG1 THR A 74 -1.040 -8.233 -4.030 1.00 0.00 O ATOM 1114 CG2 THR A 74 -2.446 -6.439 -4.583 1.00 0.00 C ATOM 0 H THR A 74 -0.744 -5.782 -1.962 1.00 0.00 H new ATOM 0 HA THR A 74 -3.314 -7.263 -1.841 1.00 0.00 H new ATOM 0 HB THR A 74 -3.075 -8.311 -3.670 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.295 -7.605 -3.925 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.415 -6.802 -5.610 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.414 -5.977 -4.390 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.657 -5.702 -4.435 1.00 0.00 H new ATOM 1122 N PHE A 75 -2.160 -9.144 -0.617 1.00 0.00 N ATOM 1123 CA PHE A 75 -1.567 -10.138 0.280 1.00 0.00 C ATOM 1124 C PHE A 75 -2.034 -11.552 -0.107 1.00 0.00 C ATOM 1125 O PHE A 75 -3.231 -11.771 -0.215 1.00 0.00 O ATOM 1126 CB PHE A 75 -1.953 -9.801 1.723 1.00 0.00 C ATOM 1127 CG PHE A 75 -1.737 -10.957 2.668 1.00 0.00 C ATOM 1128 CD1 PHE A 75 -0.432 -11.253 3.077 1.00 0.00 C ATOM 1129 CD2 PHE A 75 -2.801 -11.800 3.047 1.00 0.00 C ATOM 1130 CE1 PHE A 75 -0.181 -12.372 3.873 1.00 0.00 C ATOM 1131 CE2 PHE A 75 -2.545 -12.939 3.832 1.00 0.00 C ATOM 1132 CZ PHE A 75 -1.230 -13.228 4.239 1.00 0.00 C ATOM 0 H PHE A 75 -3.171 -9.239 -0.711 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.481 -10.115 0.192 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -1.368 -8.946 2.061 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.001 -9.502 1.754 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.384 -10.613 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.810 -11.572 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.825 -12.579 4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -3.357 -13.590 4.122 1.00 0.00 H new ATOM 0 HZ PHE A 75 -1.028 -14.108 4.832 1.00 0.00 H new ATOM 1142 N SER A 76 -1.126 -12.512 -0.287 1.00 0.00 N ATOM 1143 CA SER A 76 -1.396 -13.902 -0.719 1.00 0.00 C ATOM 1144 C SER A 76 -0.745 -14.959 0.171 1.00 0.00 C ATOM 1145 O SER A 76 0.376 -14.781 0.625 1.00 0.00 O ATOM 1146 CB SER A 76 -0.877 -14.129 -2.149 1.00 0.00 C ATOM 1147 OG SER A 76 -1.858 -13.834 -3.121 1.00 0.00 O ATOM 0 H SER A 76 -0.132 -12.343 -0.131 1.00 0.00 H new ATOM 0 HA SER A 76 -2.478 -14.016 -0.656 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.001 -13.506 -2.319 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.558 -15.166 -2.259 1.00 0.00 H new ATOM 0 HG SER A 76 -1.489 -13.989 -4.016 1.00 0.00 H new ATOM 1153 N ILE A 77 -1.412 -16.089 0.413 1.00 0.00 N ATOM 1154 CA ILE A 77 -0.828 -17.225 1.165 1.00 0.00 C ATOM 1155 C ILE A 77 -0.571 -18.399 0.210 1.00 0.00 C ATOM 1156 O ILE A 77 -1.503 -18.891 -0.433 1.00 0.00 O ATOM 1157 CB ILE A 77 -1.708 -17.640 2.363 1.00 0.00 C ATOM 1158 CG1 ILE A 77 -1.962 -16.406 3.252 1.00 0.00 C ATOM 1159 CG2 ILE A 77 -1.038 -18.808 3.118 1.00 0.00 C ATOM 1160 CD1 ILE A 77 -2.426 -16.690 4.683 1.00 0.00 C ATOM 0 H ILE A 77 -2.369 -16.252 0.099 1.00 0.00 H new ATOM 0 HA ILE A 77 0.125 -16.905 1.587 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.680 -18.002 2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.043 -15.822 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.712 -15.782 2.766 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.661 -19.100 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -0.920 -19.657 2.444 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.059 -18.493 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.572 -15.748 5.212 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -3.366 -17.242 4.658 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.671 -17.283 5.199 1.00 0.00 H new ATOM 1172 N MET A 78 0.687 -18.850 0.126 1.00 0.00 N ATOM 1173 CA MET A 78 1.118 -19.989 -0.694 1.00 0.00 C ATOM 1174 C MET A 78 1.744 -21.142 0.109 1.00 0.00 C ATOM 1175 O MET A 78 2.831 -20.983 0.653 1.00 0.00 O ATOM 1176 CB MET A 78 2.042 -19.531 -1.841 1.00 0.00 C ATOM 1177 CG MET A 78 3.207 -18.618 -1.415 1.00 0.00 C ATOM 1178 SD MET A 78 4.626 -18.549 -2.551 1.00 0.00 S ATOM 1179 CE MET A 78 3.808 -18.380 -4.159 1.00 0.00 C ATOM 0 H MET A 78 1.455 -18.420 0.642 1.00 0.00 H new ATOM 0 HA MET A 78 0.206 -20.403 -1.125 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.453 -20.414 -2.331 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.441 -19.005 -2.583 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.821 -17.607 -1.286 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.564 -18.950 -0.440 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.555 -18.184 -4.928 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.276 -19.302 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 78 3.100 -17.552 -4.122 1.00 0.00 H new ATOM 1189 N ASP A 79 1.102 -22.315 0.108 1.00 0.00 N ATOM 1190 CA ASP A 79 1.524 -23.596 0.718 1.00 0.00 C ATOM 1191 C ASP A 79 1.948 -23.571 2.209 1.00 0.00 C ATOM 1192 O ASP A 79 1.235 -24.095 3.067 1.00 0.00 O ATOM 1193 CB ASP A 79 2.627 -24.201 -0.170 1.00 0.00 C ATOM 1194 CG ASP A 79 2.949 -25.674 0.150 1.00 0.00 C ATOM 1195 OD1 ASP A 79 2.040 -26.435 0.560 1.00 0.00 O ATOM 1196 OD2 ASP A 79 4.111 -26.094 -0.067 1.00 0.00 O ATOM 0 H ASP A 79 0.198 -22.409 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 79 0.629 -24.217 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 79 2.322 -24.124 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.535 -23.608 -0.059 1.00 0.00 H new ATOM 1201 N GLU A 80 3.081 -22.942 2.529 1.00 0.00 N ATOM 1202 CA GLU A 80 3.651 -22.779 3.877 1.00 0.00 C ATOM 1203 C GLU A 80 4.151 -21.349 4.123 1.00 0.00 C ATOM 1204 O GLU A 80 4.806 -21.098 5.133 1.00 0.00 O ATOM 1205 CB GLU A 80 4.852 -23.713 4.111 1.00 0.00 C ATOM 1206 CG GLU A 80 4.667 -25.150 3.628 1.00 0.00 C ATOM 1207 CD GLU A 80 5.786 -26.071 4.156 1.00 0.00 C ATOM 1208 OE1 GLU A 80 6.926 -26.024 3.631 1.00 0.00 O ATOM 1209 OE2 GLU A 80 5.530 -26.864 5.097 1.00 0.00 O ATOM 0 H GLU A 80 3.663 -22.505 1.814 1.00 0.00 H new ATOM 0 HA GLU A 80 2.837 -23.022 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.723 -23.289 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.074 -23.732 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 80 3.699 -25.525 3.960 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.661 -25.171 2.538 1.00 0.00 H new ATOM 1216 N PHE A 81 3.916 -20.404 3.211 1.00 0.00 N ATOM 1217 CA PHE A 81 4.461 -19.052 3.351 1.00 0.00 C ATOM 1218 C PHE A 81 3.360 -18.016 3.089 1.00 0.00 C ATOM 1219 O PHE A 81 2.279 -18.318 2.576 1.00 0.00 O ATOM 1220 CB PHE A 81 5.573 -18.805 2.306 1.00 0.00 C ATOM 1221 CG PHE A 81 6.387 -19.998 1.837 1.00 0.00 C ATOM 1222 CD1 PHE A 81 7.076 -20.852 2.716 1.00 0.00 C ATOM 1223 CD2 PHE A 81 6.371 -20.292 0.463 1.00 0.00 C ATOM 1224 CE1 PHE A 81 7.779 -21.963 2.212 1.00 0.00 C ATOM 1225 CE2 PHE A 81 7.053 -21.405 -0.045 1.00 0.00 C ATOM 1226 CZ PHE A 81 7.770 -22.239 0.831 1.00 0.00 C ATOM 0 H PHE A 81 3.355 -20.548 2.372 1.00 0.00 H new ATOM 0 HA PHE A 81 4.858 -18.957 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.112 -18.349 1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.264 -18.071 2.721 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.066 -20.656 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.824 -19.650 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.326 -22.605 2.886 1.00 0.00 H new ATOM 0 HE2 PHE A 81 7.028 -21.621 -1.103 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.313 -23.089 0.446 1.00 0.00 H new ATOM 1236 N GLN A 82 3.684 -16.762 3.371 1.00 0.00 N ATOM 1237 CA GLN A 82 2.840 -15.598 3.134 1.00 0.00 C ATOM 1238 C GLN A 82 3.571 -14.622 2.225 1.00 0.00 C ATOM 1239 O GLN A 82 4.770 -14.432 2.376 1.00 0.00 O ATOM 1240 CB GLN A 82 2.489 -14.884 4.442 1.00 0.00 C ATOM 1241 CG GLN A 82 2.400 -15.726 5.707 1.00 0.00 C ATOM 1242 CD GLN A 82 1.936 -14.881 6.887 1.00 0.00 C ATOM 1243 OE1 GLN A 82 2.539 -13.884 7.259 1.00 0.00 O ATOM 1244 NE2 GLN A 82 0.834 -15.227 7.512 1.00 0.00 N ATOM 0 H GLN A 82 4.581 -16.517 3.789 1.00 0.00 H new ATOM 0 HA GLN A 82 1.917 -15.942 2.668 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.233 -14.106 4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.530 -14.384 4.304 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.707 -16.553 5.551 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.374 -16.163 5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.318 -16.055 7.215 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.494 -14.667 8.294 1.00 0.00 H new ATOM 1253 N GLU A 83 2.845 -13.962 1.338 1.00 0.00 N ATOM 1254 CA GLU A 83 3.328 -12.991 0.360 1.00 0.00 C ATOM 1255 C GLU A 83 2.621 -11.660 0.575 1.00 0.00 C ATOM 1256 O GLU A 83 1.394 -11.590 0.606 1.00 0.00 O ATOM 1257 CB GLU A 83 3.018 -13.442 -1.084 1.00 0.00 C ATOM 1258 CG GLU A 83 4.090 -14.324 -1.718 1.00 0.00 C ATOM 1259 CD GLU A 83 3.756 -14.638 -3.193 1.00 0.00 C ATOM 1260 OE1 GLU A 83 2.605 -15.036 -3.498 1.00 0.00 O ATOM 1261 OE2 GLU A 83 4.645 -14.478 -4.066 1.00 0.00 O ATOM 0 H GLU A 83 1.836 -14.096 1.275 1.00 0.00 H new ATOM 0 HA GLU A 83 4.406 -12.902 0.494 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.072 -13.984 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.880 -12.557 -1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 83 5.057 -13.824 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.178 -15.254 -1.157 1.00 0.00 H new ATOM 1268 N TYR A 84 3.403 -10.599 0.668 1.00 0.00 N ATOM 1269 CA TYR A 84 2.937 -9.230 0.846 1.00 0.00 C ATOM 1270 C TYR A 84 3.439 -8.376 -0.303 1.00 0.00 C ATOM 1271 O TYR A 84 4.631 -8.403 -0.602 1.00 0.00 O ATOM 1272 CB TYR A 84 3.512 -8.664 2.143 1.00 0.00 C ATOM 1273 CG TYR A 84 2.973 -9.330 3.394 1.00 0.00 C ATOM 1274 CD1 TYR A 84 1.814 -8.817 4.007 1.00 0.00 C ATOM 1275 CD2 TYR A 84 3.586 -10.493 3.906 1.00 0.00 C ATOM 1276 CE1 TYR A 84 1.301 -9.432 5.164 1.00 0.00 C ATOM 1277 CE2 TYR A 84 3.056 -11.131 5.046 1.00 0.00 C ATOM 1278 CZ TYR A 84 1.926 -10.583 5.695 1.00 0.00 C ATOM 1279 OH TYR A 84 1.409 -11.190 6.799 1.00 0.00 O ATOM 0 H TYR A 84 4.420 -10.667 0.620 1.00 0.00 H new ATOM 0 HA TYR A 84 1.847 -9.224 0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 84 4.597 -8.770 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.297 -7.597 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.319 -7.952 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.464 -10.896 3.423 1.00 0.00 H new ATOM 0 HE1 TYR A 84 0.426 -9.023 5.648 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.512 -12.035 5.422 1.00 0.00 H new ATOM 0 HH TYR A 84 1.814 -12.076 6.905 1.00 0.00 H new ATOM 1289 N THR A 85 2.557 -7.613 -0.942 1.00 0.00 N ATOM 1290 CA THR A 85 2.940 -6.703 -2.024 1.00 0.00 C ATOM 1291 C THR A 85 2.160 -5.392 -1.889 1.00 0.00 C ATOM 1292 O THR A 85 0.990 -5.364 -1.515 1.00 0.00 O ATOM 1293 CB THR A 85 2.774 -7.316 -3.435 1.00 0.00 C ATOM 1294 OG1 THR A 85 1.494 -7.073 -3.976 1.00 0.00 O ATOM 1295 CG2 THR A 85 2.946 -8.843 -3.498 1.00 0.00 C ATOM 0 H THR A 85 1.560 -7.606 -0.728 1.00 0.00 H new ATOM 0 HA THR A 85 4.007 -6.507 -1.921 1.00 0.00 H new ATOM 0 HB THR A 85 3.569 -6.826 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 85 1.434 -7.476 -4.867 1.00 0.00 H new ATOM 0 HG21 THR A 85 2.812 -9.182 -4.525 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.945 -9.111 -3.154 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.203 -9.320 -2.859 1.00 0.00 H new ATOM 1303 N MET A 86 2.810 -4.277 -2.181 1.00 0.00 N ATOM 1304 CA MET A 86 2.247 -2.929 -2.156 1.00 0.00 C ATOM 1305 C MET A 86 2.744 -2.146 -3.371 1.00 0.00 C ATOM 1306 O MET A 86 3.875 -2.324 -3.827 1.00 0.00 O ATOM 1307 CB MET A 86 2.623 -2.250 -0.834 1.00 0.00 C ATOM 1308 CG MET A 86 2.176 -0.791 -0.750 1.00 0.00 C ATOM 1309 SD MET A 86 2.643 0.050 0.788 1.00 0.00 S ATOM 1310 CE MET A 86 4.345 0.527 0.370 1.00 0.00 C ATOM 0 H MET A 86 3.792 -4.284 -2.456 1.00 0.00 H new ATOM 0 HA MET A 86 1.159 -2.966 -2.213 1.00 0.00 H new ATOM 0 HB2 MET A 86 2.178 -2.806 -0.009 1.00 0.00 H new ATOM 0 HB3 MET A 86 3.704 -2.299 -0.704 1.00 0.00 H new ATOM 0 HG2 MET A 86 2.601 -0.245 -1.592 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.092 -0.749 -0.858 1.00 0.00 H new ATOM 0 HE1 MET A 86 4.843 0.915 1.259 1.00 0.00 H new ATOM 0 HE2 MET A 86 4.887 -0.344 0.002 1.00 0.00 H new ATOM 0 HE3 MET A 86 4.328 1.297 -0.402 1.00 0.00 H new ATOM 1320 N LEU A 87 1.875 -1.282 -3.882 1.00 0.00 N ATOM 1321 CA LEU A 87 2.097 -0.420 -5.041 1.00 0.00 C ATOM 1322 C LEU A 87 1.245 0.864 -4.925 1.00 0.00 C ATOM 1323 O LEU A 87 0.032 0.846 -5.135 1.00 0.00 O ATOM 1324 CB LEU A 87 1.710 -1.213 -6.303 1.00 0.00 C ATOM 1325 CG LEU A 87 2.084 -0.504 -7.604 1.00 0.00 C ATOM 1326 CD1 LEU A 87 3.515 -0.839 -8.000 1.00 0.00 C ATOM 1327 CD2 LEU A 87 1.159 -0.888 -8.756 1.00 0.00 C ATOM 0 H LEU A 87 0.947 -1.156 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 87 3.143 -0.120 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.199 -2.187 -6.275 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.635 -1.395 -6.293 1.00 0.00 H new ATOM 0 HG LEU A 87 1.982 0.565 -7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.765 -0.326 -8.929 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.196 -0.516 -7.212 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.610 -1.915 -8.143 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.464 -0.359 -9.659 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.218 -1.963 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.134 -0.616 -8.505 1.00 0.00 H new ATOM 1339 N CYS A 88 1.890 1.980 -4.608 1.00 0.00 N ATOM 1340 CA CYS A 88 1.302 3.309 -4.475 1.00 0.00 C ATOM 1341 C CYS A 88 2.271 4.370 -5.021 1.00 0.00 C ATOM 1342 O CYS A 88 3.475 4.324 -4.741 1.00 0.00 O ATOM 1343 CB CYS A 88 1.009 3.582 -2.997 1.00 0.00 C ATOM 1344 SG CYS A 88 0.404 5.288 -2.746 1.00 0.00 S ATOM 0 H CYS A 88 2.894 1.983 -4.426 1.00 0.00 H new ATOM 0 HA CYS A 88 0.375 3.355 -5.046 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.265 2.873 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 88 1.913 3.424 -2.409 1.00 0.00 H new ATOM 1349 N LEU A 89 1.744 5.337 -5.777 1.00 0.00 N ATOM 1350 CA LEU A 89 2.506 6.464 -6.322 1.00 0.00 C ATOM 1351 C LEU A 89 3.158 7.305 -5.211 1.00 0.00 C ATOM 1352 O LEU A 89 4.273 7.799 -5.403 1.00 0.00 O ATOM 1353 CB LEU A 89 1.563 7.301 -7.215 1.00 0.00 C ATOM 1354 CG LEU A 89 2.107 8.665 -7.679 1.00 0.00 C ATOM 1355 CD1 LEU A 89 3.332 8.543 -8.567 1.00 0.00 C ATOM 1356 CD2 LEU A 89 1.087 9.450 -8.503 1.00 0.00 C ATOM 0 H LEU A 89 0.757 5.359 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 89 3.333 6.090 -6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.314 6.712 -8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.634 7.469 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 89 2.349 9.177 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.668 9.537 -8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.128 8.037 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.080 7.967 -9.457 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.520 10.404 -8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.817 8.877 -9.390 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.196 9.631 -7.902 1.00 0.00 H new ATOM 1368 N LEU A 90 2.500 7.431 -4.056 1.00 0.00 N ATOM 1369 CA LEU A 90 2.980 8.174 -2.898 1.00 0.00 C ATOM 1370 C LEU A 90 3.664 7.250 -1.892 1.00 0.00 C ATOM 1371 O LEU A 90 4.847 7.434 -1.597 1.00 0.00 O ATOM 1372 CB LEU A 90 1.777 8.862 -2.226 1.00 0.00 C ATOM 1373 CG LEU A 90 2.090 9.462 -0.839 1.00 0.00 C ATOM 1374 CD1 LEU A 90 3.204 10.501 -0.910 1.00 0.00 C ATOM 1375 CD2 LEU A 90 0.845 10.109 -0.240 1.00 0.00 C ATOM 0 H LEU A 90 1.588 7.002 -3.900 1.00 0.00 H new ATOM 0 HA LEU A 90 3.711 8.911 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.414 9.655 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.969 8.138 -2.123 1.00 0.00 H new ATOM 0 HG LEU A 90 2.421 8.640 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.394 10.899 0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.112 10.036 -1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.903 11.312 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.086 10.526 0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.496 10.905 -0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.062 9.359 -0.131 1.00 0.00 H new ATOM 1387 N CYS A 91 2.921 6.311 -1.327 1.00 0.00 N ATOM 1388 CA CYS A 91 3.384 5.451 -0.258 1.00 0.00 C ATOM 1389 C CYS A 91 4.534 4.529 -0.678 1.00 0.00 C ATOM 1390 O CYS A 91 5.469 4.333 0.101 1.00 0.00 O ATOM 1391 CB CYS A 91 2.190 4.696 0.326 1.00 0.00 C ATOM 1392 SG CYS A 91 0.950 5.864 0.961 1.00 0.00 S ATOM 0 H CYS A 91 1.958 6.124 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 91 3.819 6.073 0.524 1.00 0.00 H new ATOM 0 HB2 CYS A 91 1.743 4.062 -0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 91 2.525 4.039 1.129 1.00 0.00 H new ATOM 1397 N GLY A 92 4.500 4.009 -1.910 1.00 0.00 N ATOM 1398 CA GLY A 92 5.599 3.239 -2.482 1.00 0.00 C ATOM 1399 C GLY A 92 5.272 1.874 -3.077 1.00 0.00 C ATOM 1400 O GLY A 92 4.156 1.365 -2.969 1.00 0.00 O ATOM 0 H GLY A 92 3.703 4.114 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.062 3.843 -3.262 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.349 3.095 -1.704 1.00 0.00 H new ATOM 1404 N LYS A 93 6.294 1.255 -3.677 1.00 0.00 N ATOM 1405 CA LYS A 93 6.255 -0.104 -4.227 1.00 0.00 C ATOM 1406 C LYS A 93 7.173 -1.023 -3.427 1.00 0.00 C ATOM 1407 O LYS A 93 8.383 -0.803 -3.367 1.00 0.00 O ATOM 1408 CB LYS A 93 6.602 -0.083 -5.715 1.00 0.00 C ATOM 1409 CG LYS A 93 6.791 -1.496 -6.299 1.00 0.00 C ATOM 1410 CD LYS A 93 7.173 -1.435 -7.784 1.00 0.00 C ATOM 1411 CE LYS A 93 7.289 -2.851 -8.359 1.00 0.00 C ATOM 1412 NZ LYS A 93 7.664 -2.830 -9.797 1.00 0.00 N ATOM 0 H LYS A 93 7.203 1.702 -3.797 1.00 0.00 H new ATOM 0 HA LYS A 93 5.245 -0.503 -4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.810 0.429 -6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.516 0.493 -5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 93 7.567 -2.022 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 93 5.871 -2.068 -6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.423 -0.870 -8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.120 -0.908 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.035 -3.413 -7.796 1.00 0.00 H new ATOM 0 HE3 LYS A 93 6.339 -3.372 -8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.733 -3.805 -10.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.939 -2.315 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.582 -2.355 -9.909 1.00 0.00 H new ATOM 1426 N ALA A 94 6.594 -2.046 -2.812 1.00 0.00 N ATOM 1427 CA ALA A 94 7.300 -3.007 -1.976 1.00 0.00 C ATOM 1428 C ALA A 94 6.767 -4.447 -2.090 1.00 0.00 C ATOM 1429 O ALA A 94 5.614 -4.663 -2.458 1.00 0.00 O ATOM 1430 CB ALA A 94 7.226 -2.494 -0.536 1.00 0.00 C ATOM 0 H ALA A 94 5.594 -2.235 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 94 8.332 -3.077 -2.320 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.745 -3.188 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.698 -1.513 -0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.182 -2.415 -0.231 1.00 0.00 H new ATOM 1436 N GLU A 95 7.600 -5.435 -1.755 1.00 0.00 N ATOM 1437 CA GLU A 95 7.227 -6.856 -1.715 1.00 0.00 C ATOM 1438 C GLU A 95 8.054 -7.612 -0.661 1.00 0.00 C ATOM 1439 O GLU A 95 9.263 -7.403 -0.546 1.00 0.00 O ATOM 1440 CB GLU A 95 7.414 -7.465 -3.115 1.00 0.00 C ATOM 1441 CG GLU A 95 7.134 -8.970 -3.203 1.00 0.00 C ATOM 1442 CD GLU A 95 7.273 -9.461 -4.657 1.00 0.00 C ATOM 1443 OE1 GLU A 95 6.284 -9.389 -5.427 1.00 0.00 O ATOM 1444 OE2 GLU A 95 8.376 -9.918 -5.045 1.00 0.00 O ATOM 0 H GLU A 95 8.573 -5.269 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 95 6.180 -6.947 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.757 -6.946 -3.813 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.437 -7.280 -3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.828 -9.513 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.130 -9.181 -2.836 1.00 0.00 H new ATOM 1451 N ASP A 96 7.405 -8.496 0.102 1.00 0.00 N ATOM 1452 CA ASP A 96 7.998 -9.340 1.142 1.00 0.00 C ATOM 1453 C ASP A 96 7.375 -10.744 1.158 1.00 0.00 C ATOM 1454 O ASP A 96 6.201 -10.904 0.822 1.00 0.00 O ATOM 1455 CB ASP A 96 7.798 -8.699 2.528 1.00 0.00 C ATOM 1456 CG ASP A 96 8.878 -9.146 3.528 1.00 0.00 C ATOM 1457 OD1 ASP A 96 10.086 -9.054 3.196 1.00 0.00 O ATOM 1458 OD2 ASP A 96 8.523 -9.586 4.645 1.00 0.00 O ATOM 0 H ASP A 96 6.401 -8.650 0.006 1.00 0.00 H new ATOM 0 HA ASP A 96 9.061 -9.429 0.916 1.00 0.00 H new ATOM 0 HB2 ASP A 96 7.819 -7.613 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.814 -8.966 2.913 1.00 0.00 H new ATOM 1463 N THR A 97 8.124 -11.755 1.604 1.00 0.00 N ATOM 1464 CA THR A 97 7.598 -13.120 1.781 1.00 0.00 C ATOM 1465 C THR A 97 8.064 -13.705 3.121 1.00 0.00 C ATOM 1466 O THR A 97 9.244 -13.604 3.463 1.00 0.00 O ATOM 1467 CB THR A 97 7.977 -14.067 0.629 1.00 0.00 C ATOM 1468 OG1 THR A 97 8.006 -13.420 -0.629 1.00 0.00 O ATOM 1469 CG2 THR A 97 6.966 -15.204 0.502 1.00 0.00 C ATOM 0 H THR A 97 9.108 -11.657 1.853 1.00 0.00 H new ATOM 0 HA THR A 97 6.511 -13.036 1.776 1.00 0.00 H new ATOM 0 HB THR A 97 8.972 -14.435 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.253 -14.066 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.257 -15.859 -0.319 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.942 -15.775 1.430 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.977 -14.791 0.304 1.00 0.00 H new ATOM 1477 N ILE A 98 7.142 -14.297 3.890 1.00 0.00 N ATOM 1478 CA ILE A 98 7.381 -14.855 5.234 1.00 0.00 C ATOM 1479 C ILE A 98 7.017 -16.338 5.291 1.00 0.00 C ATOM 1480 O ILE A 98 5.891 -16.697 4.969 1.00 0.00 O ATOM 1481 CB ILE A 98 6.553 -14.107 6.309 1.00 0.00 C ATOM 1482 CG1 ILE A 98 6.492 -12.581 6.062 1.00 0.00 C ATOM 1483 CG2 ILE A 98 7.136 -14.426 7.692 1.00 0.00 C ATOM 1484 CD1 ILE A 98 5.818 -11.759 7.169 1.00 0.00 C ATOM 0 H ILE A 98 6.174 -14.406 3.586 1.00 0.00 H new ATOM 0 HA ILE A 98 8.444 -14.731 5.439 1.00 0.00 H new ATOM 0 HB ILE A 98 5.522 -14.456 6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.509 -12.211 5.927 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.961 -12.403 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.562 -13.905 8.458 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.086 -15.500 7.869 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.175 -14.099 7.733 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.829 -10.704 6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 98 4.787 -12.092 7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 98 6.359 -11.897 8.105 1.00 0.00 H new ATOM 1496 N SER A 99 7.905 -17.203 5.763 1.00 0.00 N ATOM 1497 CA SER A 99 7.588 -18.627 5.958 1.00 0.00 C ATOM 1498 C SER A 99 6.878 -18.836 7.306 1.00 0.00 C ATOM 1499 O SER A 99 7.265 -18.249 8.322 1.00 0.00 O ATOM 1500 CB SER A 99 8.839 -19.495 5.806 1.00 0.00 C ATOM 1501 OG SER A 99 9.912 -19.035 6.617 1.00 0.00 O ATOM 0 H SER A 99 8.858 -16.949 6.022 1.00 0.00 H new ATOM 0 HA SER A 99 6.897 -18.947 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.600 -20.525 6.072 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.151 -19.500 4.762 1.00 0.00 H new ATOM 0 HG SER A 99 10.690 -19.618 6.491 1.00 0.00 H new ATOM 1507 N ILE A 100 5.818 -19.651 7.316 1.00 0.00 N ATOM 1508 CA ILE A 100 4.968 -19.927 8.489 1.00 0.00 C ATOM 1509 C ILE A 100 4.665 -21.431 8.667 1.00 0.00 C ATOM 1510 O ILE A 100 5.069 -22.270 7.860 1.00 0.00 O ATOM 1511 CB ILE A 100 3.691 -19.038 8.480 1.00 0.00 C ATOM 1512 CG1 ILE A 100 2.815 -19.093 7.206 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.077 -17.567 8.728 1.00 0.00 C ATOM 1514 CD1 ILE A 100 2.047 -20.403 7.003 1.00 0.00 C ATOM 0 H ILE A 100 5.515 -20.155 6.483 1.00 0.00 H new ATOM 0 HA ILE A 100 5.537 -19.649 9.376 1.00 0.00 H new ATOM 0 HB ILE A 100 3.078 -19.460 9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.099 -18.272 7.240 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.452 -18.925 6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.179 -16.949 8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.570 -17.479 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.755 -17.231 7.943 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.463 -20.344 6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.752 -21.231 6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.378 -20.567 7.848 1.00 0.00 H new ATOM 1526 N LEU A 101 3.971 -21.786 9.754 1.00 0.00 N ATOM 1527 CA LEU A 101 3.602 -23.152 10.134 1.00 0.00 C ATOM 1528 C LEU A 101 2.172 -23.193 10.717 1.00 0.00 C ATOM 1529 O LEU A 101 1.699 -22.172 11.229 1.00 0.00 O ATOM 1530 CB LEU A 101 4.611 -23.605 11.209 1.00 0.00 C ATOM 1531 CG LEU A 101 6.031 -23.932 10.711 1.00 0.00 C ATOM 1532 CD1 LEU A 101 6.930 -24.229 11.913 1.00 0.00 C ATOM 1533 CD2 LEU A 101 6.058 -25.152 9.788 1.00 0.00 C ATOM 0 H LEU A 101 3.636 -21.094 10.424 1.00 0.00 H new ATOM 0 HA LEU A 101 3.623 -23.806 9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.684 -22.821 11.963 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.210 -24.488 11.706 1.00 0.00 H new ATOM 0 HG LEU A 101 6.383 -23.067 10.149 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.937 -24.461 11.566 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.964 -23.357 12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 101 6.531 -25.080 12.464 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.082 -25.341 9.464 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.681 -26.023 10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.431 -24.963 8.917 1.00 0.00 H new ATOM 1545 N PRO A 102 1.487 -24.356 10.707 1.00 0.00 N ATOM 1546 CA PRO A 102 0.143 -24.505 11.285 1.00 0.00 C ATOM 1547 C PRO A 102 0.110 -24.302 12.814 1.00 0.00 C ATOM 1548 O PRO A 102 -0.954 -24.066 13.387 1.00 0.00 O ATOM 1549 CB PRO A 102 -0.324 -25.907 10.875 1.00 0.00 C ATOM 1550 CG PRO A 102 0.979 -26.683 10.699 1.00 0.00 C ATOM 1551 CD PRO A 102 1.939 -25.627 10.154 1.00 0.00 C ATOM 0 HA PRO A 102 -0.525 -23.730 10.909 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.959 -26.357 11.638 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -0.904 -25.882 9.952 1.00 0.00 H new ATOM 0 HG2 PRO A 102 1.331 -27.099 11.643 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.861 -27.517 10.007 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.965 -25.840 10.452 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.921 -25.608 9.064 1.00 0.00 H new ATOM 1559 N ASP A 103 1.272 -24.353 13.477 1.00 0.00 N ATOM 1560 CA ASP A 103 1.459 -24.111 14.915 1.00 0.00 C ATOM 1561 C ASP A 103 1.378 -22.608 15.301 1.00 0.00 C ATOM 1562 O ASP A 103 1.536 -22.257 16.469 1.00 0.00 O ATOM 1563 CB ASP A 103 2.815 -24.718 15.315 1.00 0.00 C ATOM 1564 CG ASP A 103 3.013 -24.826 16.840 1.00 0.00 C ATOM 1565 OD1 ASP A 103 2.167 -25.457 17.520 1.00 0.00 O ATOM 1566 OD2 ASP A 103 4.047 -24.336 17.355 1.00 0.00 O ATOM 0 H ASP A 103 2.149 -24.574 13.005 1.00 0.00 H new ATOM 0 HA ASP A 103 0.643 -24.585 15.461 1.00 0.00 H new ATOM 0 HB2 ASP A 103 2.904 -25.711 14.874 1.00 0.00 H new ATOM 0 HB3 ASP A 103 3.615 -24.109 14.895 1.00 0.00 H new ATOM 1571 N ASP A 104 1.133 -21.719 14.326 1.00 0.00 N ATOM 1572 CA ASP A 104 1.040 -20.255 14.469 1.00 0.00 C ATOM 1573 C ASP A 104 2.295 -19.608 15.109 1.00 0.00 C ATOM 1574 O ASP A 104 2.240 -19.116 16.241 1.00 0.00 O ATOM 1575 CB ASP A 104 -0.291 -19.855 15.139 1.00 0.00 C ATOM 1576 CG ASP A 104 -0.494 -18.331 15.154 1.00 0.00 C ATOM 1577 OD1 ASP A 104 -0.341 -17.695 14.084 1.00 0.00 O ATOM 1578 OD2 ASP A 104 -0.814 -17.766 16.228 1.00 0.00 O ATOM 0 H ASP A 104 0.986 -22.018 13.362 1.00 0.00 H new ATOM 0 HA ASP A 104 1.027 -19.831 13.465 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -1.119 -20.326 14.609 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -0.310 -20.233 16.161 1.00 0.00 H new ATOM 1583 N PRO A 105 3.449 -19.598 14.407 1.00 0.00 N ATOM 1584 CA PRO A 105 4.702 -19.031 14.920 1.00 0.00 C ATOM 1585 C PRO A 105 4.721 -17.492 14.992 1.00 0.00 C ATOM 1586 O PRO A 105 5.632 -16.924 15.600 1.00 0.00 O ATOM 1587 CB PRO A 105 5.788 -19.553 13.972 1.00 0.00 C ATOM 1588 CG PRO A 105 5.056 -19.705 12.641 1.00 0.00 C ATOM 1589 CD PRO A 105 3.655 -20.139 13.067 1.00 0.00 C ATOM 0 HA PRO A 105 4.851 -19.337 15.955 1.00 0.00 H new ATOM 0 HB2 PRO A 105 6.622 -18.855 13.894 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.198 -20.503 14.315 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.036 -18.769 12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.532 -20.448 12.001 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.903 -19.760 12.375 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.568 -21.226 13.069 1.00 0.00 H new ATOM 1597 N ARG A 106 3.737 -16.811 14.378 1.00 0.00 N ATOM 1598 CA ARG A 106 3.589 -15.335 14.314 1.00 0.00 C ATOM 1599 C ARG A 106 4.874 -14.615 13.866 1.00 0.00 C ATOM 1600 O ARG A 106 5.241 -13.557 14.382 1.00 0.00 O ATOM 1601 CB ARG A 106 2.984 -14.807 15.635 1.00 0.00 C ATOM 1602 CG ARG A 106 1.580 -15.386 15.882 1.00 0.00 C ATOM 1603 CD ARG A 106 0.921 -14.868 17.167 1.00 0.00 C ATOM 1604 NE ARG A 106 1.622 -15.328 18.383 1.00 0.00 N ATOM 1605 CZ ARG A 106 1.477 -16.490 18.998 1.00 0.00 C ATOM 1606 NH1 ARG A 106 0.682 -17.428 18.569 1.00 0.00 N ATOM 1607 NH2 ARG A 106 2.145 -16.736 20.090 1.00 0.00 N ATOM 0 H ARG A 106 2.984 -17.293 13.887 1.00 0.00 H new ATOM 0 HA ARG A 106 2.880 -15.094 13.522 1.00 0.00 H new ATOM 0 HB2 ARG A 106 3.638 -15.069 16.467 1.00 0.00 H new ATOM 0 HB3 ARG A 106 2.930 -13.719 15.602 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.941 -15.144 15.033 1.00 0.00 H new ATOM 0 HG3 ARG A 106 1.647 -16.473 15.930 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.905 -13.778 17.150 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.116 -15.202 17.200 1.00 0.00 H new ATOM 0 HE ARG A 106 2.292 -14.678 18.794 1.00 0.00 H new ATOM 0 HH11 ARG A 106 0.134 -17.284 17.721 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.607 -18.307 19.081 1.00 0.00 H new ATOM 0 HH21 ARG A 106 2.779 -16.033 20.469 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.034 -17.632 20.565 1.00 0.00 H new ATOM 1621 N GLN A 107 5.564 -15.221 12.895 1.00 0.00 N ATOM 1622 CA GLN A 107 6.819 -14.761 12.290 1.00 0.00 C ATOM 1623 C GLN A 107 6.744 -13.300 11.805 1.00 0.00 C ATOM 1624 O GLN A 107 5.864 -12.928 11.016 1.00 0.00 O ATOM 1625 CB GLN A 107 7.184 -15.743 11.157 1.00 0.00 C ATOM 1626 CG GLN A 107 8.555 -15.494 10.504 1.00 0.00 C ATOM 1627 CD GLN A 107 9.751 -15.704 11.438 1.00 0.00 C ATOM 1628 OE1 GLN A 107 9.717 -16.456 12.404 1.00 0.00 O ATOM 1629 NE2 GLN A 107 10.860 -15.036 11.198 1.00 0.00 N ATOM 0 H GLN A 107 5.243 -16.098 12.485 1.00 0.00 H new ATOM 0 HA GLN A 107 7.608 -14.759 13.042 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.166 -16.758 11.555 1.00 0.00 H new ATOM 0 HB3 GLN A 107 6.415 -15.689 10.386 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.660 -16.157 9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.582 -14.473 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.912 -14.404 10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.667 -15.151 11.811 1.00 0.00 H new TER 1638 GLN A 107 HETATM 1639 ZN ZN A 108 -1.753 17.519 -6.393 1.00 0.00 ZN HETATM 1640 ZN ZN A 109 -4.144 20.159 -3.636 1.00 0.00 ZN HETATM 1641 ZN ZN A 110 -0.529 5.321 -0.681 1.00 0.00 ZN