USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 880 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 ASN : amide:sc= 0.891 K(o=1.8,f=-3.6) USER MOD Set 1.2: A 36 THR OG1 : rot 174:sc= 0.923 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.069 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 144:sc= -1.42 (180deg=-6.75!) USER MOD Single : A 11 CYS SG : rot 31:sc= 0.0568 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.0498 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.052) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.324 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.318 X(o=-0.32,f=-0.32) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.477 USER MOD Single : A 64 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.091) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0237) USER MOD Single : A 72 THR OG1 : rot -101:sc= 0.0647 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.0152 X(o=-0.015,f=-0.46) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -125:sc= -2.8! (180deg=-6!) USER MOD Single : A 91 ASN :FLIP amide:sc= -1.52 F(o=-2.5,f=-1.5) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 104 ASN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 105 ASN : amide:sc= -0.0866 K(o=-0.087,f=-1.1) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 42:sc= 0.263 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.926 -15.599 -6.998 1.00 33.12 N ATOM 2 CA GLY A 1 13.794 -15.963 -7.829 1.00 75.41 C ATOM 3 C GLY A 1 12.530 -15.218 -7.447 1.00 42.02 C ATOM 4 O GLY A 1 12.475 -14.526 -6.430 1.00 13.42 O ATOM 0 H1 GLY A 1 15.559 -14.968 -7.530 1.00 33.12 H new ATOM 0 H2 GLY A 1 14.587 -15.110 -6.145 1.00 33.12 H new ATOM 0 H3 GLY A 1 15.444 -16.457 -6.722 1.00 33.12 H new ATOM 0 HA2 GLY A 1 14.032 -15.757 -8.872 1.00 75.41 H new ATOM 0 HA3 GLY A 1 13.618 -17.036 -7.748 1.00 75.41 H new ATOM 8 N PRO A 2 11.485 -15.355 -8.275 1.00 55.23 N ATOM 9 CA PRO A 2 10.196 -14.695 -8.040 1.00 44.44 C ATOM 10 C PRO A 2 9.453 -15.284 -6.847 1.00 33.20 C ATOM 11 O PRO A 2 9.869 -16.294 -6.281 1.00 3.43 O ATOM 12 CB PRO A 2 9.422 -14.957 -9.335 1.00 4.13 C ATOM 13 CG PRO A 2 10.026 -16.199 -9.893 1.00 60.31 C ATOM 14 CD PRO A 2 11.479 -16.164 -9.505 1.00 75.15 C ATOM 0 HA PRO A 2 10.316 -13.637 -7.806 1.00 44.44 H new ATOM 0 HB2 PRO A 2 8.357 -15.087 -9.140 1.00 4.13 H new ATOM 0 HB3 PRO A 2 9.519 -14.123 -10.030 1.00 4.13 H new ATOM 0 HG2 PRO A 2 9.536 -17.086 -9.491 1.00 60.31 H new ATOM 0 HG3 PRO A 2 9.912 -16.236 -10.976 1.00 60.31 H new ATOM 0 HD2 PRO A 2 11.872 -17.165 -9.329 1.00 75.15 H new ATOM 0 HD3 PRO A 2 12.092 -15.713 -10.285 1.00 75.15 H new ATOM 22 N GLY A 3 8.348 -14.647 -6.470 1.00 20.21 N ATOM 23 CA GLY A 3 7.563 -15.123 -5.346 1.00 63.02 C ATOM 24 C GLY A 3 7.261 -14.027 -4.344 1.00 13.44 C ATOM 25 O GLY A 3 6.167 -13.976 -3.781 1.00 4.21 O ATOM 0 H GLY A 3 7.983 -13.810 -6.923 1.00 20.21 H new ATOM 0 HA2 GLY A 3 6.627 -15.544 -5.713 1.00 63.02 H new ATOM 0 HA3 GLY A 3 8.101 -15.929 -4.847 1.00 63.02 H new ATOM 29 N SER A 4 8.232 -13.148 -4.119 1.00 71.15 N ATOM 30 CA SER A 4 8.066 -12.050 -3.174 1.00 71.12 C ATOM 31 C SER A 4 6.845 -11.208 -3.528 1.00 55.45 C ATOM 32 O SER A 4 6.416 -11.171 -4.682 1.00 31.11 O ATOM 33 CB SER A 4 9.318 -11.171 -3.156 1.00 71.40 C ATOM 34 OG SER A 4 9.374 -10.339 -4.301 1.00 54.55 O ATOM 0 H SER A 4 9.142 -13.175 -4.578 1.00 71.15 H new ATOM 0 HA SER A 4 7.916 -12.477 -2.182 1.00 71.12 H new ATOM 0 HB2 SER A 4 9.322 -10.556 -2.256 1.00 71.40 H new ATOM 0 HB3 SER A 4 10.207 -11.800 -3.116 1.00 71.40 H new ATOM 0 HG SER A 4 10.182 -9.786 -4.264 1.00 54.55 H new ATOM 40 N MET A 5 6.289 -10.533 -2.528 1.00 51.33 N ATOM 41 CA MET A 5 5.117 -9.689 -2.734 1.00 32.11 C ATOM 42 C MET A 5 5.485 -8.212 -2.629 1.00 61.11 C ATOM 43 O MET A 5 5.730 -7.700 -1.537 1.00 60.42 O ATOM 44 CB MET A 5 4.031 -10.030 -1.712 1.00 70.04 C ATOM 45 CG MET A 5 2.766 -9.201 -1.869 1.00 61.42 C ATOM 46 SD MET A 5 1.736 -9.217 -0.389 1.00 44.23 S ATOM 47 CE MET A 5 2.841 -8.457 0.799 1.00 21.30 C ATOM 0 H MET A 5 6.630 -10.554 -1.567 1.00 51.33 H new ATOM 0 HA MET A 5 4.735 -9.879 -3.737 1.00 32.11 H new ATOM 0 HB2 MET A 5 3.777 -11.086 -1.803 1.00 70.04 H new ATOM 0 HB3 MET A 5 4.429 -9.883 -0.708 1.00 70.04 H new ATOM 0 HG2 MET A 5 3.038 -8.172 -2.107 1.00 61.42 H new ATOM 0 HG3 MET A 5 2.189 -9.581 -2.712 1.00 61.42 H new ATOM 0 HE1 MET A 5 2.266 -7.834 1.484 1.00 21.30 H new ATOM 0 HE2 MET A 5 3.359 -9.233 1.363 1.00 21.30 H new ATOM 0 HE3 MET A 5 3.572 -7.841 0.274 1.00 21.30 H new ATOM 57 N ASN A 6 5.521 -7.533 -3.771 1.00 70.21 N ATOM 58 CA ASN A 6 5.861 -6.115 -3.807 1.00 35.33 C ATOM 59 C ASN A 6 4.641 -5.256 -3.485 1.00 73.20 C ATOM 60 O ASN A 6 3.648 -5.272 -4.214 1.00 44.41 O ATOM 61 CB ASN A 6 6.416 -5.737 -5.181 1.00 22.13 C ATOM 62 CG ASN A 6 7.747 -6.404 -5.469 1.00 63.23 C ATOM 63 OD1 ASN A 6 8.791 -5.968 -4.983 1.00 72.21 O ATOM 64 ND2 ASN A 6 7.716 -7.467 -6.264 1.00 65.04 N ATOM 0 H ASN A 6 5.319 -7.942 -4.683 1.00 70.21 H new ATOM 0 HA ASN A 6 6.624 -5.930 -3.051 1.00 35.33 H new ATOM 0 HB2 ASN A 6 5.697 -6.019 -5.950 1.00 22.13 H new ATOM 0 HB3 ASN A 6 6.535 -4.655 -5.237 1.00 22.13 H new ATOM 0 HD21 ASN A 6 8.580 -7.957 -6.494 1.00 65.04 H new ATOM 0 HD22 ASN A 6 6.828 -7.794 -6.644 1.00 65.04 H new ATOM 71 N ILE A 7 4.723 -4.509 -2.390 1.00 1.22 N ATOM 72 CA ILE A 7 3.628 -3.642 -1.973 1.00 34.30 C ATOM 73 C ILE A 7 3.775 -2.245 -2.568 1.00 33.34 C ATOM 74 O ILE A 7 4.887 -1.744 -2.735 1.00 41.23 O ATOM 75 CB ILE A 7 3.552 -3.529 -0.439 1.00 41.22 C ATOM 76 CG1 ILE A 7 3.447 -4.919 0.192 1.00 14.52 C ATOM 77 CG2 ILE A 7 2.369 -2.664 -0.029 1.00 64.22 C ATOM 78 CD1 ILE A 7 3.427 -4.896 1.705 1.00 51.45 C ATOM 0 H ILE A 7 5.537 -4.486 -1.775 1.00 1.22 H new ATOM 0 HA ILE A 7 2.708 -4.096 -2.342 1.00 34.30 H new ATOM 0 HB ILE A 7 4.465 -3.055 -0.079 1.00 41.22 H new ATOM 0 HG12 ILE A 7 2.540 -5.405 -0.168 1.00 14.52 H new ATOM 0 HG13 ILE A 7 4.288 -5.526 -0.143 1.00 14.52 H new ATOM 0 HG21 ILE A 7 2.329 -2.594 1.058 1.00 64.22 H new ATOM 0 HG22 ILE A 7 2.483 -1.666 -0.453 1.00 64.22 H new ATOM 0 HG23 ILE A 7 1.446 -3.111 -0.398 1.00 64.22 H new ATOM 0 HD11 ILE A 7 3.351 -5.915 2.083 1.00 51.45 H new ATOM 0 HD12 ILE A 7 4.345 -4.439 2.074 1.00 51.45 H new ATOM 0 HD13 ILE A 7 2.570 -4.317 2.049 1.00 51.45 H new ATOM 90 N LEU A 8 2.645 -1.621 -2.883 1.00 21.40 N ATOM 91 CA LEU A 8 2.647 -0.281 -3.458 1.00 53.41 C ATOM 92 C LEU A 8 2.013 0.723 -2.500 1.00 0.53 C ATOM 93 O LEU A 8 0.920 0.496 -1.979 1.00 50.42 O ATOM 94 CB LEU A 8 1.896 -0.275 -4.791 1.00 43.12 C ATOM 95 CG LEU A 8 2.292 0.821 -5.779 1.00 44.33 C ATOM 96 CD1 LEU A 8 1.954 2.194 -5.219 1.00 60.24 C ATOM 97 CD2 LEU A 8 3.775 0.730 -6.112 1.00 14.30 C ATOM 0 H LEU A 8 1.716 -2.022 -2.750 1.00 21.40 H new ATOM 0 HA LEU A 8 3.683 0.012 -3.630 1.00 53.41 H new ATOM 0 HB2 LEU A 8 2.044 -1.241 -5.273 1.00 43.12 H new ATOM 0 HB3 LEU A 8 0.830 -0.182 -4.584 1.00 43.12 H new ATOM 0 HG LEU A 8 1.724 0.676 -6.698 1.00 44.33 H new ATOM 0 HD11 LEU A 8 2.244 2.961 -5.937 1.00 60.24 H new ATOM 0 HD12 LEU A 8 0.882 2.257 -5.033 1.00 60.24 H new ATOM 0 HD13 LEU A 8 2.494 2.349 -4.285 1.00 60.24 H new ATOM 0 HD21 LEU A 8 4.039 1.518 -6.817 1.00 14.30 H new ATOM 0 HD22 LEU A 8 4.361 0.848 -5.200 1.00 14.30 H new ATOM 0 HD23 LEU A 8 3.989 -0.241 -6.558 1.00 14.30 H new ATOM 109 N LEU A 9 2.705 1.834 -2.274 1.00 15.15 N ATOM 110 CA LEU A 9 2.209 2.875 -1.379 1.00 44.44 C ATOM 111 C LEU A 9 2.124 4.217 -2.100 1.00 23.31 C ATOM 112 O LEU A 9 2.965 4.536 -2.941 1.00 24.51 O ATOM 113 CB LEU A 9 3.116 2.998 -0.154 1.00 42.22 C ATOM 114 CG LEU A 9 2.559 3.811 1.015 1.00 64.52 C ATOM 115 CD1 LEU A 9 1.214 3.257 1.457 1.00 50.04 C ATOM 116 CD2 LEU A 9 3.542 3.816 2.176 1.00 3.14 C ATOM 0 H LEU A 9 3.610 2.038 -2.697 1.00 15.15 H new ATOM 0 HA LEU A 9 1.207 2.593 -1.054 1.00 44.44 H new ATOM 0 HB2 LEU A 9 3.347 1.995 0.205 1.00 42.22 H new ATOM 0 HB3 LEU A 9 4.058 3.449 -0.468 1.00 42.22 H new ATOM 0 HG LEU A 9 2.414 4.839 0.682 1.00 64.52 H new ATOM 0 HD11 LEU A 9 0.833 3.848 2.290 1.00 50.04 H new ATOM 0 HD12 LEU A 9 0.510 3.305 0.626 1.00 50.04 H new ATOM 0 HD13 LEU A 9 1.333 2.220 1.772 1.00 50.04 H new ATOM 0 HD21 LEU A 9 3.130 4.399 2.999 1.00 3.14 H new ATOM 0 HD22 LEU A 9 3.718 2.793 2.508 1.00 3.14 H new ATOM 0 HD23 LEU A 9 4.484 4.260 1.853 1.00 3.14 H new ATOM 128 N VAL A 10 1.105 5.000 -1.764 1.00 51.31 N ATOM 129 CA VAL A 10 0.912 6.309 -2.377 1.00 21.14 C ATOM 130 C VAL A 10 0.829 7.404 -1.318 1.00 63.34 C ATOM 131 O VAL A 10 -0.246 7.691 -0.790 1.00 62.22 O ATOM 132 CB VAL A 10 -0.366 6.344 -3.236 1.00 61.42 C ATOM 133 CG1 VAL A 10 -0.437 7.637 -4.034 1.00 13.04 C ATOM 134 CG2 VAL A 10 -0.419 5.136 -4.159 1.00 33.24 C ATOM 0 H VAL A 10 0.400 4.751 -1.070 1.00 51.31 H new ATOM 0 HA VAL A 10 1.776 6.490 -3.017 1.00 21.14 H new ATOM 0 HB VAL A 10 -1.230 6.306 -2.573 1.00 61.42 H new ATOM 0 HG11 VAL A 10 -1.346 7.644 -4.635 1.00 13.04 H new ATOM 0 HG12 VAL A 10 -0.447 8.486 -3.351 1.00 13.04 H new ATOM 0 HG13 VAL A 10 0.431 7.708 -4.689 1.00 13.04 H new ATOM 0 HG21 VAL A 10 -1.328 5.176 -4.759 1.00 33.24 H new ATOM 0 HG22 VAL A 10 0.450 5.142 -4.817 1.00 33.24 H new ATOM 0 HG23 VAL A 10 -0.417 4.223 -3.564 1.00 33.24 H new ATOM 144 N CYS A 11 1.970 8.013 -1.014 1.00 73.42 N ATOM 145 CA CYS A 11 2.027 9.077 -0.018 1.00 42.12 C ATOM 146 C CYS A 11 3.132 10.073 -0.350 1.00 44.02 C ATOM 147 O CYS A 11 4.266 9.687 -0.631 1.00 3.01 O ATOM 148 CB CYS A 11 2.255 8.488 1.375 1.00 61.11 C ATOM 149 SG CYS A 11 3.763 7.501 1.521 1.00 51.43 S ATOM 0 H CYS A 11 2.868 7.788 -1.443 1.00 73.42 H new ATOM 0 HA CYS A 11 1.073 9.604 -0.030 1.00 42.12 H new ATOM 0 HB2 CYS A 11 2.294 9.301 2.100 1.00 61.11 H new ATOM 0 HB3 CYS A 11 1.400 7.866 1.639 1.00 61.11 H new ATOM 0 HG CYS A 11 4.667 7.967 0.711 1.00 51.43 H new ATOM 155 N GLY A 12 2.793 11.359 -0.318 1.00 62.55 N ATOM 156 CA GLY A 12 3.768 12.390 -0.620 1.00 4.35 C ATOM 157 C GLY A 12 4.302 13.066 0.628 1.00 61.31 C ATOM 158 O GLY A 12 3.905 12.728 1.743 1.00 53.33 O ATOM 0 H GLY A 12 1.861 11.704 -0.088 1.00 62.55 H new ATOM 0 HA2 GLY A 12 4.597 11.951 -1.175 1.00 4.35 H new ATOM 0 HA3 GLY A 12 3.312 13.138 -1.268 1.00 4.35 H new ATOM 162 N ALA A 13 5.207 14.021 0.441 1.00 55.31 N ATOM 163 CA ALA A 13 5.795 14.746 1.560 1.00 23.33 C ATOM 164 C ALA A 13 6.399 13.786 2.579 1.00 75.20 C ATOM 165 O ALA A 13 5.820 13.543 3.636 1.00 31.13 O ATOM 166 CB ALA A 13 4.752 15.634 2.222 1.00 61.41 C ATOM 0 H ALA A 13 5.549 14.310 -0.475 1.00 55.31 H new ATOM 0 HA ALA A 13 6.596 15.375 1.172 1.00 23.33 H new ATOM 0 HB1 ALA A 13 5.206 16.169 3.056 1.00 61.41 H new ATOM 0 HB2 ALA A 13 4.371 16.351 1.495 1.00 61.41 H new ATOM 0 HB3 ALA A 13 3.931 15.019 2.590 1.00 61.41 H new ATOM 172 N GLY A 14 7.567 13.241 2.252 1.00 61.20 N ATOM 173 CA GLY A 14 8.229 12.312 3.150 1.00 63.35 C ATOM 174 C GLY A 14 9.519 11.767 2.570 1.00 4.04 C ATOM 175 O GLY A 14 10.493 11.559 3.294 1.00 4.31 O ATOM 0 H GLY A 14 8.066 13.426 1.382 1.00 61.20 H new ATOM 0 HA2 GLY A 14 8.442 12.813 4.094 1.00 63.35 H new ATOM 0 HA3 GLY A 14 7.556 11.484 3.373 1.00 63.35 H new ATOM 179 N MET A 15 9.527 11.532 1.262 1.00 23.12 N ATOM 180 CA MET A 15 10.709 11.007 0.588 1.00 71.03 C ATOM 181 C MET A 15 11.133 9.674 1.194 1.00 21.23 C ATOM 182 O MET A 15 10.467 9.145 2.083 1.00 33.31 O ATOM 183 CB MET A 15 11.860 12.010 0.675 1.00 63.23 C ATOM 184 CG MET A 15 12.605 12.197 -0.637 1.00 70.24 C ATOM 185 SD MET A 15 14.380 12.412 -0.404 1.00 61.30 S ATOM 186 CE MET A 15 14.758 13.562 -1.724 1.00 11.32 C ATOM 0 H MET A 15 8.729 11.697 0.648 1.00 23.12 H new ATOM 0 HA MET A 15 10.457 10.845 -0.460 1.00 71.03 H new ATOM 0 HB2 MET A 15 11.468 12.973 1.001 1.00 63.23 H new ATOM 0 HB3 MET A 15 12.563 11.678 1.438 1.00 63.23 H new ATOM 0 HG2 MET A 15 12.429 11.332 -1.277 1.00 70.24 H new ATOM 0 HG3 MET A 15 12.203 13.066 -1.158 1.00 70.24 H new ATOM 0 HE1 MET A 15 15.823 13.793 -1.711 1.00 11.32 H new ATOM 0 HE2 MET A 15 14.495 13.115 -2.683 1.00 11.32 H new ATOM 0 HE3 MET A 15 14.186 14.479 -1.583 1.00 11.32 H new ATOM 196 N SER A 16 12.246 9.134 0.706 1.00 2.34 N ATOM 197 CA SER A 16 12.757 7.860 1.198 1.00 72.14 C ATOM 198 C SER A 16 13.156 7.965 2.666 1.00 2.11 C ATOM 199 O SER A 16 13.252 9.061 3.220 1.00 22.13 O ATOM 200 CB SER A 16 13.958 7.412 0.362 1.00 73.45 C ATOM 201 OG SER A 16 13.593 6.384 -0.544 1.00 22.33 O ATOM 0 H SER A 16 12.811 9.559 -0.029 1.00 2.34 H new ATOM 0 HA SER A 16 11.963 7.119 1.108 1.00 72.14 H new ATOM 0 HB2 SER A 16 14.359 8.262 -0.190 1.00 73.45 H new ATOM 0 HB3 SER A 16 14.751 7.057 1.020 1.00 73.45 H new ATOM 0 HG SER A 16 14.377 6.116 -1.068 1.00 22.33 H new ATOM 207 N THR A 17 13.389 6.816 3.294 1.00 73.13 N ATOM 208 CA THR A 17 13.777 6.776 4.698 1.00 55.13 C ATOM 209 C THR A 17 12.663 7.310 5.591 1.00 2.53 C ATOM 210 O THR A 17 12.917 7.790 6.696 1.00 0.21 O ATOM 211 CB THR A 17 15.058 7.593 4.950 1.00 11.22 C ATOM 212 OG1 THR A 17 15.960 7.442 3.848 1.00 63.51 O ATOM 213 CG2 THR A 17 15.740 7.147 6.235 1.00 52.34 C ATOM 0 H THR A 17 13.315 5.900 2.851 1.00 73.13 H new ATOM 0 HA THR A 17 13.967 5.731 4.944 1.00 55.13 H new ATOM 0 HB THR A 17 14.780 8.642 5.050 1.00 11.22 H new ATOM 0 HG1 THR A 17 16.771 7.966 4.015 1.00 63.51 H new ATOM 0 HG21 THR A 17 16.642 7.738 6.392 1.00 52.34 H new ATOM 0 HG22 THR A 17 15.061 7.290 7.076 1.00 52.34 H new ATOM 0 HG23 THR A 17 16.006 6.093 6.159 1.00 52.34 H new ATOM 221 N SER A 18 11.429 7.225 5.106 1.00 62.02 N ATOM 222 CA SER A 18 10.276 7.703 5.859 1.00 33.24 C ATOM 223 C SER A 18 9.999 6.802 7.059 1.00 23.42 C ATOM 224 O SER A 18 10.426 5.648 7.094 1.00 5.12 O ATOM 225 CB SER A 18 9.041 7.766 4.959 1.00 22.22 C ATOM 226 OG SER A 18 7.880 7.350 5.656 1.00 70.41 O ATOM 0 H SER A 18 11.202 6.829 4.194 1.00 62.02 H new ATOM 0 HA SER A 18 10.502 8.705 6.223 1.00 33.24 H new ATOM 0 HB2 SER A 18 8.905 8.784 4.594 1.00 22.22 H new ATOM 0 HB3 SER A 18 9.191 7.132 4.085 1.00 22.22 H new ATOM 0 HG SER A 18 7.104 7.401 5.059 1.00 70.41 H new ATOM 232 N MET A 19 9.281 7.338 8.041 1.00 55.05 N ATOM 233 CA MET A 19 8.946 6.582 9.242 1.00 34.31 C ATOM 234 C MET A 19 8.129 5.342 8.894 1.00 64.25 C ATOM 235 O MET A 19 8.493 4.223 9.258 1.00 4.44 O ATOM 236 CB MET A 19 8.167 7.462 10.222 1.00 32.45 C ATOM 237 CG MET A 19 8.864 8.772 10.549 1.00 51.41 C ATOM 238 SD MET A 19 10.343 8.542 11.554 1.00 33.24 S ATOM 239 CE MET A 19 11.231 10.056 11.203 1.00 54.43 C ATOM 0 H MET A 19 8.920 8.292 8.028 1.00 55.05 H new ATOM 0 HA MET A 19 9.876 6.262 9.712 1.00 34.31 H new ATOM 0 HB2 MET A 19 7.185 7.678 9.802 1.00 32.45 H new ATOM 0 HB3 MET A 19 8.004 6.906 11.145 1.00 32.45 H new ATOM 0 HG2 MET A 19 9.135 9.276 9.621 1.00 51.41 H new ATOM 0 HG3 MET A 19 8.170 9.426 11.076 1.00 51.41 H new ATOM 0 HE1 MET A 19 12.171 10.062 11.754 1.00 54.43 H new ATOM 0 HE2 MET A 19 11.436 10.118 10.134 1.00 54.43 H new ATOM 0 HE3 MET A 19 10.627 10.911 11.507 1.00 54.43 H new ATOM 249 N LEU A 20 7.023 5.546 8.188 1.00 55.22 N ATOM 250 CA LEU A 20 6.154 4.445 7.790 1.00 33.32 C ATOM 251 C LEU A 20 6.951 3.346 7.094 1.00 75.04 C ATOM 252 O LEU A 20 7.036 2.220 7.583 1.00 21.23 O ATOM 253 CB LEU A 20 5.045 4.950 6.866 1.00 4.52 C ATOM 254 CG LEU A 20 3.748 5.385 7.549 1.00 12.41 C ATOM 255 CD1 LEU A 20 2.787 5.989 6.537 1.00 44.53 C ATOM 256 CD2 LEU A 20 3.101 4.207 8.264 1.00 43.43 C ATOM 0 H LEU A 20 6.706 6.465 7.879 1.00 55.22 H new ATOM 0 HA LEU A 20 5.704 4.027 8.691 1.00 33.32 H new ATOM 0 HB2 LEU A 20 5.432 5.794 6.295 1.00 4.52 H new ATOM 0 HB3 LEU A 20 4.809 4.162 6.151 1.00 4.52 H new ATOM 0 HG LEU A 20 3.989 6.147 8.290 1.00 12.41 H new ATOM 0 HD11 LEU A 20 1.870 6.292 7.042 1.00 44.53 H new ATOM 0 HD12 LEU A 20 3.249 6.859 6.071 1.00 44.53 H new ATOM 0 HD13 LEU A 20 2.552 5.249 5.772 1.00 44.53 H new ATOM 0 HD21 LEU A 20 2.179 4.535 8.744 1.00 43.43 H new ATOM 0 HD22 LEU A 20 2.875 3.423 7.542 1.00 43.43 H new ATOM 0 HD23 LEU A 20 3.785 3.819 9.019 1.00 43.43 H new ATOM 268 N VAL A 21 7.534 3.683 5.948 1.00 63.21 N ATOM 269 CA VAL A 21 8.328 2.727 5.184 1.00 5.01 C ATOM 270 C VAL A 21 9.382 2.062 6.063 1.00 45.55 C ATOM 271 O VAL A 21 9.656 0.870 5.925 1.00 42.20 O ATOM 272 CB VAL A 21 9.025 3.403 3.988 1.00 34.24 C ATOM 273 CG1 VAL A 21 9.874 4.575 4.458 1.00 62.42 C ATOM 274 CG2 VAL A 21 9.868 2.394 3.223 1.00 10.44 C ATOM 0 H VAL A 21 7.472 4.610 5.528 1.00 63.21 H new ATOM 0 HA VAL A 21 7.638 1.970 4.811 1.00 5.01 H new ATOM 0 HB VAL A 21 8.260 3.788 3.313 1.00 34.24 H new ATOM 0 HG11 VAL A 21 10.359 5.040 3.600 1.00 62.42 H new ATOM 0 HG12 VAL A 21 9.239 5.307 4.957 1.00 62.42 H new ATOM 0 HG13 VAL A 21 10.633 4.218 5.154 1.00 62.42 H new ATOM 0 HG21 VAL A 21 10.353 2.889 2.382 1.00 10.44 H new ATOM 0 HG22 VAL A 21 10.627 1.977 3.885 1.00 10.44 H new ATOM 0 HG23 VAL A 21 9.229 1.592 2.853 1.00 10.44 H new ATOM 284 N GLN A 22 9.969 2.841 6.965 1.00 2.44 N ATOM 285 CA GLN A 22 10.994 2.327 7.866 1.00 53.50 C ATOM 286 C GLN A 22 10.414 1.278 8.809 1.00 73.45 C ATOM 287 O GLN A 22 11.020 0.231 9.038 1.00 44.33 O ATOM 288 CB GLN A 22 11.611 3.469 8.675 1.00 43.52 C ATOM 289 CG GLN A 22 12.796 4.129 7.988 1.00 14.41 C ATOM 290 CD GLN A 22 14.065 4.055 8.813 1.00 4.45 C ATOM 291 OE1 GLN A 22 14.475 2.978 9.246 1.00 1.54 O ATOM 292 NE2 GLN A 22 14.695 5.202 9.035 1.00 5.51 N ATOM 0 H GLN A 22 9.753 3.830 7.092 1.00 2.44 H new ATOM 0 HA GLN A 22 11.770 1.857 7.262 1.00 53.50 H new ATOM 0 HB2 GLN A 22 10.847 4.222 8.866 1.00 43.52 H new ATOM 0 HB3 GLN A 22 11.930 3.086 9.644 1.00 43.52 H new ATOM 0 HG2 GLN A 22 12.966 3.649 7.024 1.00 14.41 H new ATOM 0 HG3 GLN A 22 12.559 5.174 7.787 1.00 14.41 H new ATOM 0 HE21 GLN A 22 14.319 6.072 8.657 1.00 5.51 H new ATOM 0 HE22 GLN A 22 15.555 5.214 9.584 1.00 5.51 H new ATOM 301 N ARG A 23 9.235 1.565 9.352 1.00 21.43 N ATOM 302 CA ARG A 23 8.573 0.646 10.271 1.00 22.12 C ATOM 303 C ARG A 23 8.196 -0.653 9.564 1.00 3.20 C ATOM 304 O ARG A 23 8.307 -1.737 10.137 1.00 15.34 O ATOM 305 CB ARG A 23 7.324 1.297 10.865 1.00 55.33 C ATOM 306 CG ARG A 23 7.608 2.585 11.620 1.00 10.51 C ATOM 307 CD ARG A 23 7.456 2.397 13.121 1.00 15.52 C ATOM 308 NE ARG A 23 8.508 1.549 13.675 1.00 33.42 N ATOM 309 CZ ARG A 23 8.403 0.915 14.838 1.00 45.10 C ATOM 310 NH1 ARG A 23 7.301 1.032 15.565 1.00 51.54 N ATOM 311 NH2 ARG A 23 9.404 0.161 15.275 1.00 63.31 N ATOM 0 H ARG A 23 8.719 2.426 9.172 1.00 21.43 H new ATOM 0 HA ARG A 23 9.270 0.412 11.076 1.00 22.12 H new ATOM 0 HB2 ARG A 23 6.617 1.505 10.062 1.00 55.33 H new ATOM 0 HB3 ARG A 23 6.842 0.589 11.539 1.00 55.33 H new ATOM 0 HG2 ARG A 23 8.619 2.924 11.395 1.00 10.51 H new ATOM 0 HG3 ARG A 23 6.927 3.365 11.279 1.00 10.51 H new ATOM 0 HD2 ARG A 23 7.478 3.370 13.612 1.00 15.52 H new ATOM 0 HD3 ARG A 23 6.483 1.954 13.334 1.00 15.52 H new ATOM 0 HE ARG A 23 9.370 1.437 13.141 1.00 33.42 H new ATOM 0 HH11 ARG A 23 6.530 1.610 15.232 1.00 51.54 H new ATOM 0 HH12 ARG A 23 7.224 0.544 16.457 1.00 51.54 H new ATOM 0 HH21 ARG A 23 10.254 0.068 14.718 1.00 63.31 H new ATOM 0 HH22 ARG A 23 9.324 -0.326 16.168 1.00 63.31 H new ATOM 325 N ILE A 24 7.752 -0.533 8.318 1.00 73.53 N ATOM 326 CA ILE A 24 7.359 -1.698 7.533 1.00 44.42 C ATOM 327 C ILE A 24 8.567 -2.564 7.193 1.00 1.02 C ATOM 328 O ILE A 24 8.584 -3.761 7.476 1.00 64.11 O ATOM 329 CB ILE A 24 6.654 -1.286 6.228 1.00 1.41 C ATOM 330 CG1 ILE A 24 5.397 -0.469 6.538 1.00 5.52 C ATOM 331 CG2 ILE A 24 6.303 -2.515 5.404 1.00 12.12 C ATOM 332 CD1 ILE A 24 5.089 0.585 5.498 1.00 44.33 C ATOM 0 H ILE A 24 7.655 0.357 7.830 1.00 73.53 H new ATOM 0 HA ILE A 24 6.664 -2.272 8.146 1.00 44.42 H new ATOM 0 HB ILE A 24 7.334 -0.665 5.646 1.00 1.41 H new ATOM 0 HG12 ILE A 24 4.546 -1.145 6.622 1.00 5.52 H new ATOM 0 HG13 ILE A 24 5.517 0.014 7.508 1.00 5.52 H new ATOM 0 HG21 ILE A 24 5.805 -2.207 4.485 1.00 12.12 H new ATOM 0 HG22 ILE A 24 7.214 -3.060 5.158 1.00 12.12 H new ATOM 0 HG23 ILE A 24 5.638 -3.160 5.978 1.00 12.12 H new ATOM 0 HD11 ILE A 24 4.186 1.124 5.783 1.00 44.33 H new ATOM 0 HD12 ILE A 24 5.923 1.284 5.430 1.00 44.33 H new ATOM 0 HD13 ILE A 24 4.936 0.107 4.530 1.00 44.33 H new ATOM 344 N GLU A 25 9.578 -1.949 6.585 1.00 52.42 N ATOM 345 CA GLU A 25 10.790 -2.665 6.208 1.00 63.22 C ATOM 346 C GLU A 25 11.464 -3.280 7.432 1.00 55.43 C ATOM 347 O GLU A 25 12.029 -4.370 7.361 1.00 62.43 O ATOM 348 CB GLU A 25 11.764 -1.723 5.496 1.00 4.10 C ATOM 349 CG GLU A 25 12.356 -0.659 6.405 1.00 33.23 C ATOM 350 CD GLU A 25 13.306 0.270 5.674 1.00 22.43 C ATOM 351 OE1 GLU A 25 12.826 1.245 5.058 1.00 33.52 O ATOM 352 OE2 GLU A 25 14.529 0.023 5.718 1.00 30.53 O ATOM 0 H GLU A 25 9.581 -0.958 6.344 1.00 52.42 H new ATOM 0 HA GLU A 25 10.509 -3.469 5.528 1.00 63.22 H new ATOM 0 HB2 GLU A 25 12.574 -2.311 5.063 1.00 4.10 H new ATOM 0 HB3 GLU A 25 11.247 -1.236 4.670 1.00 4.10 H new ATOM 0 HG2 GLU A 25 11.549 -0.074 6.846 1.00 33.23 H new ATOM 0 HG3 GLU A 25 12.886 -1.142 7.226 1.00 33.23 H new ATOM 359 N LYS A 26 11.398 -2.571 8.554 1.00 33.11 N ATOM 360 CA LYS A 26 11.998 -3.045 9.795 1.00 61.03 C ATOM 361 C LYS A 26 11.276 -4.285 10.310 1.00 61.40 C ATOM 362 O LYS A 26 11.879 -5.347 10.465 1.00 21.44 O ATOM 363 CB LYS A 26 11.962 -1.943 10.856 1.00 2.13 C ATOM 364 CG LYS A 26 13.123 -0.968 10.760 1.00 14.13 C ATOM 365 CD LYS A 26 14.328 -1.455 11.547 1.00 60.42 C ATOM 366 CE LYS A 26 15.592 -0.706 11.151 1.00 34.15 C ATOM 367 NZ LYS A 26 16.728 -1.016 12.063 1.00 33.23 N ATOM 0 H LYS A 26 10.935 -1.665 8.629 1.00 33.11 H new ATOM 0 HA LYS A 26 13.035 -3.310 9.590 1.00 61.03 H new ATOM 0 HB2 LYS A 26 11.027 -1.391 10.763 1.00 2.13 H new ATOM 0 HB3 LYS A 26 11.965 -2.402 11.845 1.00 2.13 H new ATOM 0 HG2 LYS A 26 13.401 -0.833 9.715 1.00 14.13 H new ATOM 0 HG3 LYS A 26 12.812 0.007 11.135 1.00 14.13 H new ATOM 0 HD2 LYS A 26 14.145 -1.323 12.613 1.00 60.42 H new ATOM 0 HD3 LYS A 26 14.468 -2.523 11.377 1.00 60.42 H new ATOM 0 HE2 LYS A 26 15.865 -0.968 10.129 1.00 34.15 H new ATOM 0 HE3 LYS A 26 15.398 0.367 11.164 1.00 34.15 H new ATOM 0 HZ1 LYS A 26 17.571 -0.487 11.760 1.00 33.23 H new ATOM 0 HZ2 LYS A 26 16.478 -0.742 13.035 1.00 33.23 H new ATOM 0 HZ3 LYS A 26 16.930 -2.036 12.032 1.00 33.23 H new ATOM 381 N TYR A 27 9.982 -4.144 10.573 1.00 72.15 N ATOM 382 CA TYR A 27 9.177 -5.254 11.071 1.00 41.32 C ATOM 383 C TYR A 27 9.337 -6.485 10.183 1.00 4.24 C ATOM 384 O TYR A 27 9.534 -7.595 10.675 1.00 64.45 O ATOM 385 CB TYR A 27 7.704 -4.851 11.143 1.00 61.03 C ATOM 386 CG TYR A 27 6.779 -5.995 11.495 1.00 44.11 C ATOM 387 CD1 TYR A 27 6.514 -6.317 12.820 1.00 4.13 C ATOM 388 CD2 TYR A 27 6.173 -6.755 10.502 1.00 42.43 C ATOM 389 CE1 TYR A 27 5.671 -7.361 13.147 1.00 41.41 C ATOM 390 CE2 TYR A 27 5.328 -7.800 10.819 1.00 74.11 C ATOM 391 CZ TYR A 27 5.080 -8.099 12.142 1.00 20.43 C ATOM 392 OH TYR A 27 4.239 -9.141 12.462 1.00 25.24 O ATOM 0 H TYR A 27 9.467 -3.272 10.450 1.00 72.15 H new ATOM 0 HA TYR A 27 9.528 -5.503 12.072 1.00 41.32 H new ATOM 0 HB2 TYR A 27 7.588 -4.060 11.884 1.00 61.03 H new ATOM 0 HB3 TYR A 27 7.403 -4.434 10.182 1.00 61.03 H new ATOM 0 HD1 TYR A 27 6.975 -5.741 13.608 1.00 4.13 H new ATOM 0 HD2 TYR A 27 6.366 -6.524 9.465 1.00 42.43 H new ATOM 0 HE1 TYR A 27 5.476 -7.598 14.182 1.00 41.41 H new ATOM 0 HE2 TYR A 27 4.864 -8.380 10.035 1.00 74.11 H new ATOM 0 HH TYR A 27 3.906 -9.557 11.640 1.00 25.24 H new ATOM 402 N ALA A 28 9.252 -6.277 8.873 1.00 11.24 N ATOM 403 CA ALA A 28 9.390 -7.367 7.917 1.00 60.42 C ATOM 404 C ALA A 28 10.796 -7.957 7.955 1.00 20.04 C ATOM 405 O ALA A 28 10.968 -9.174 8.030 1.00 2.15 O ATOM 406 CB ALA A 28 9.056 -6.883 6.513 1.00 24.41 C ATOM 0 H ALA A 28 9.088 -5.363 8.450 1.00 11.24 H new ATOM 0 HA ALA A 28 8.688 -8.153 8.196 1.00 60.42 H new ATOM 0 HB1 ALA A 28 9.163 -7.708 5.809 1.00 24.41 H new ATOM 0 HB2 ALA A 28 8.030 -6.517 6.489 1.00 24.41 H new ATOM 0 HB3 ALA A 28 9.735 -6.077 6.235 1.00 24.41 H new ATOM 412 N LYS A 29 11.799 -7.088 7.902 1.00 2.44 N ATOM 413 CA LYS A 29 13.191 -7.521 7.931 1.00 33.13 C ATOM 414 C LYS A 29 13.483 -8.326 9.194 1.00 5.41 C ATOM 415 O LYS A 29 14.352 -9.197 9.199 1.00 64.54 O ATOM 416 CB LYS A 29 14.125 -6.312 7.856 1.00 12.44 C ATOM 417 CG LYS A 29 15.599 -6.679 7.873 1.00 73.11 C ATOM 418 CD LYS A 29 16.014 -7.378 6.589 1.00 35.32 C ATOM 419 CE LYS A 29 16.732 -6.427 5.645 1.00 50.10 C ATOM 420 NZ LYS A 29 17.885 -7.084 4.968 1.00 3.42 N ATOM 0 H LYS A 29 11.674 -6.078 7.839 1.00 2.44 H new ATOM 0 HA LYS A 29 13.365 -8.160 7.065 1.00 33.13 H new ATOM 0 HB2 LYS A 29 13.909 -5.753 6.946 1.00 12.44 H new ATOM 0 HB3 LYS A 29 13.915 -5.649 8.695 1.00 12.44 H new ATOM 0 HG2 LYS A 29 16.198 -5.778 8.008 1.00 73.11 H new ATOM 0 HG3 LYS A 29 15.804 -7.328 8.724 1.00 73.11 H new ATOM 0 HD2 LYS A 29 16.666 -8.219 6.825 1.00 35.32 H new ATOM 0 HD3 LYS A 29 15.133 -7.787 6.095 1.00 35.32 H new ATOM 0 HE2 LYS A 29 16.031 -6.061 4.895 1.00 50.10 H new ATOM 0 HE3 LYS A 29 17.084 -5.559 6.202 1.00 50.10 H new ATOM 0 HZ1 LYS A 29 18.349 -6.403 4.333 1.00 3.42 H new ATOM 0 HZ2 LYS A 29 18.567 -7.411 5.682 1.00 3.42 H new ATOM 0 HZ3 LYS A 29 17.546 -7.897 4.416 1.00 3.42 H new ATOM 434 N SER A 30 12.752 -8.027 10.263 1.00 31.52 N ATOM 435 CA SER A 30 12.934 -8.722 11.532 1.00 23.43 C ATOM 436 C SER A 30 12.146 -10.028 11.556 1.00 41.03 C ATOM 437 O SER A 30 12.635 -11.054 12.030 1.00 40.24 O ATOM 438 CB SER A 30 12.497 -7.828 12.695 1.00 63.32 C ATOM 439 OG SER A 30 13.592 -7.092 13.211 1.00 10.33 O ATOM 0 H SER A 30 12.028 -7.308 10.276 1.00 31.52 H new ATOM 0 HA SER A 30 13.993 -8.956 11.640 1.00 23.43 H new ATOM 0 HB2 SER A 30 11.720 -7.142 12.358 1.00 63.32 H new ATOM 0 HB3 SER A 30 12.062 -8.440 13.485 1.00 63.32 H new ATOM 0 HG SER A 30 13.287 -6.527 13.952 1.00 10.33 H new ATOM 445 N LYS A 31 10.922 -9.982 11.041 1.00 60.14 N ATOM 446 CA LYS A 31 10.065 -11.160 11.000 1.00 73.31 C ATOM 447 C LYS A 31 10.550 -12.152 9.946 1.00 3.25 C ATOM 448 O LYS A 31 10.160 -13.318 9.953 1.00 54.23 O ATOM 449 CB LYS A 31 8.619 -10.754 10.705 1.00 42.11 C ATOM 450 CG LYS A 31 7.881 -10.206 11.915 1.00 4.13 C ATOM 451 CD LYS A 31 7.746 -11.255 13.006 1.00 15.02 C ATOM 452 CE LYS A 31 6.766 -10.815 14.083 1.00 0.21 C ATOM 453 NZ LYS A 31 6.074 -11.974 14.712 1.00 54.32 N ATOM 0 H LYS A 31 10.501 -9.141 10.646 1.00 60.14 H new ATOM 0 HA LYS A 31 10.109 -11.644 11.976 1.00 73.31 H new ATOM 0 HB2 LYS A 31 8.616 -10.001 9.917 1.00 42.11 H new ATOM 0 HB3 LYS A 31 8.079 -11.620 10.322 1.00 42.11 H new ATOM 0 HG2 LYS A 31 8.414 -9.339 12.306 1.00 4.13 H new ATOM 0 HG3 LYS A 31 6.891 -9.863 11.614 1.00 4.13 H new ATOM 0 HD2 LYS A 31 7.410 -12.195 12.569 1.00 15.02 H new ATOM 0 HD3 LYS A 31 8.721 -11.443 13.455 1.00 15.02 H new ATOM 0 HE2 LYS A 31 7.298 -10.251 14.849 1.00 0.21 H new ATOM 0 HE3 LYS A 31 6.026 -10.143 13.648 1.00 0.21 H new ATOM 0 HZ1 LYS A 31 5.415 -11.632 15.440 1.00 54.32 H new ATOM 0 HZ2 LYS A 31 5.545 -12.498 13.986 1.00 54.32 H new ATOM 0 HZ3 LYS A 31 6.778 -12.603 15.150 1.00 54.32 H new ATOM 467 N ASN A 32 11.404 -11.678 9.045 1.00 31.33 N ATOM 468 CA ASN A 32 11.944 -12.524 7.986 1.00 54.50 C ATOM 469 C ASN A 32 10.835 -13.000 7.053 1.00 74.22 C ATOM 470 O ASN A 32 10.609 -14.201 6.902 1.00 21.55 O ATOM 471 CB ASN A 32 12.672 -13.727 8.588 1.00 71.54 C ATOM 472 CG ASN A 32 13.409 -13.378 9.866 1.00 51.55 C ATOM 473 OD1 ASN A 32 14.314 -12.543 9.865 1.00 50.34 O ATOM 474 ND2 ASN A 32 13.025 -14.018 10.964 1.00 45.43 N ATOM 0 H ASN A 32 11.737 -10.714 9.026 1.00 31.33 H new ATOM 0 HA ASN A 32 12.653 -11.932 7.407 1.00 54.50 H new ATOM 0 HB2 ASN A 32 11.951 -14.519 8.792 1.00 71.54 H new ATOM 0 HB3 ASN A 32 13.381 -14.121 7.859 1.00 71.54 H new ATOM 0 HD21 ASN A 32 13.485 -13.825 11.854 1.00 45.43 H new ATOM 0 HD22 ASN A 32 12.270 -14.702 10.918 1.00 45.43 H new ATOM 481 N ILE A 33 10.148 -12.050 6.427 1.00 15.14 N ATOM 482 CA ILE A 33 9.064 -12.373 5.507 1.00 73.20 C ATOM 483 C ILE A 33 9.427 -11.992 4.076 1.00 71.24 C ATOM 484 O ILE A 33 10.090 -10.983 3.841 1.00 60.51 O ATOM 485 CB ILE A 33 7.758 -11.658 5.901 1.00 4.23 C ATOM 486 CG1 ILE A 33 7.345 -12.050 7.322 1.00 71.32 C ATOM 487 CG2 ILE A 33 6.652 -11.991 4.912 1.00 53.43 C ATOM 488 CD1 ILE A 33 6.371 -11.083 7.956 1.00 30.42 C ATOM 0 H ILE A 33 10.323 -11.051 6.540 1.00 15.14 H new ATOM 0 HA ILE A 33 8.910 -13.450 5.567 1.00 73.20 H new ATOM 0 HB ILE A 33 7.929 -10.582 5.876 1.00 4.23 H new ATOM 0 HG12 ILE A 33 6.896 -13.043 7.300 1.00 71.32 H new ATOM 0 HG13 ILE A 33 8.237 -12.116 7.946 1.00 71.32 H new ATOM 0 HG21 ILE A 33 5.736 -11.478 5.204 1.00 53.43 H new ATOM 0 HG22 ILE A 33 6.947 -11.667 3.914 1.00 53.43 H new ATOM 0 HG23 ILE A 33 6.480 -13.067 4.908 1.00 53.43 H new ATOM 0 HD11 ILE A 33 6.123 -11.423 8.961 1.00 30.42 H new ATOM 0 HD12 ILE A 33 6.824 -10.093 8.010 1.00 30.42 H new ATOM 0 HD13 ILE A 33 5.463 -11.034 7.355 1.00 30.42 H new ATOM 500 N ASN A 34 8.984 -12.805 3.122 1.00 72.21 N ATOM 501 CA ASN A 34 9.261 -12.553 1.713 1.00 40.43 C ATOM 502 C ASN A 34 8.292 -11.520 1.144 1.00 32.54 C ATOM 503 O ASN A 34 7.276 -11.871 0.545 1.00 14.14 O ATOM 504 CB ASN A 34 9.165 -13.852 0.912 1.00 22.34 C ATOM 505 CG ASN A 34 9.948 -14.984 1.550 1.00 3.12 C ATOM 506 OD1 ASN A 34 9.370 -15.910 2.118 1.00 25.43 O ATOM 507 ND2 ASN A 34 11.272 -14.913 1.459 1.00 12.21 N ATOM 0 H ASN A 34 8.432 -13.644 3.300 1.00 72.21 H new ATOM 0 HA ASN A 34 10.274 -12.159 1.633 1.00 40.43 H new ATOM 0 HB2 ASN A 34 8.119 -14.143 0.822 1.00 22.34 H new ATOM 0 HB3 ASN A 34 9.537 -13.681 -0.098 1.00 22.34 H new ATOM 0 HD21 ASN A 34 11.851 -15.645 1.870 1.00 12.21 H new ATOM 0 HD22 ASN A 34 11.709 -14.126 0.978 1.00 12.21 H new ATOM 514 N ALA A 35 8.614 -10.245 1.337 1.00 63.03 N ATOM 515 CA ALA A 35 7.775 -9.161 0.842 1.00 61.53 C ATOM 516 C ALA A 35 8.603 -7.914 0.553 1.00 14.55 C ATOM 517 O ALA A 35 9.755 -7.808 0.976 1.00 33.20 O ATOM 518 CB ALA A 35 6.673 -8.847 1.843 1.00 23.31 C ATOM 0 H ALA A 35 9.451 -9.938 1.833 1.00 63.03 H new ATOM 0 HA ALA A 35 7.318 -9.486 -0.093 1.00 61.53 H new ATOM 0 HB1 ALA A 35 6.054 -8.035 1.460 1.00 23.31 H new ATOM 0 HB2 ALA A 35 6.056 -9.733 1.995 1.00 23.31 H new ATOM 0 HB3 ALA A 35 7.118 -8.547 2.792 1.00 23.31 H new ATOM 524 N THR A 36 8.008 -6.968 -0.168 1.00 74.23 N ATOM 525 CA THR A 36 8.691 -5.729 -0.514 1.00 2.11 C ATOM 526 C THR A 36 7.763 -4.529 -0.360 1.00 52.24 C ATOM 527 O THR A 36 6.542 -4.678 -0.317 1.00 72.21 O ATOM 528 CB THR A 36 9.228 -5.767 -1.957 1.00 54.23 C ATOM 529 OG1 THR A 36 8.839 -6.990 -2.593 1.00 33.02 O ATOM 530 CG2 THR A 36 10.743 -5.639 -1.975 1.00 52.20 C ATOM 0 H THR A 36 7.054 -7.037 -0.523 1.00 74.23 H new ATOM 0 HA THR A 36 9.530 -5.627 0.175 1.00 2.11 H new ATOM 0 HB THR A 36 8.802 -4.924 -2.501 1.00 54.23 H new ATOM 0 HG1 THR A 36 9.098 -6.964 -3.538 1.00 33.02 H new ATOM 0 HG21 THR A 36 11.098 -5.669 -3.005 1.00 52.20 H new ATOM 0 HG22 THR A 36 11.034 -4.693 -1.518 1.00 52.20 H new ATOM 0 HG23 THR A 36 11.184 -6.463 -1.415 1.00 52.20 H new ATOM 538 N ILE A 37 8.349 -3.339 -0.280 1.00 25.00 N ATOM 539 CA ILE A 37 7.574 -2.114 -0.133 1.00 61.40 C ATOM 540 C ILE A 37 8.156 -0.990 -0.985 1.00 73.34 C ATOM 541 O ILE A 37 9.371 -0.879 -1.136 1.00 41.30 O ATOM 542 CB ILE A 37 7.522 -1.654 1.336 1.00 55.41 C ATOM 543 CG1 ILE A 37 6.568 -0.466 1.487 1.00 44.44 C ATOM 544 CG2 ILE A 37 8.913 -1.289 1.827 1.00 25.04 C ATOM 545 CD1 ILE A 37 5.140 -0.784 1.103 1.00 22.10 C ATOM 0 H ILE A 37 9.359 -3.198 -0.315 1.00 25.00 H new ATOM 0 HA ILE A 37 6.562 -2.338 -0.472 1.00 61.40 H new ATOM 0 HB ILE A 37 7.148 -2.476 1.946 1.00 55.41 H new ATOM 0 HG12 ILE A 37 6.589 -0.123 2.521 1.00 44.44 H new ATOM 0 HG13 ILE A 37 6.927 0.358 0.870 1.00 44.44 H new ATOM 0 HG21 ILE A 37 8.859 -0.966 2.867 1.00 25.04 H new ATOM 0 HG22 ILE A 37 9.566 -2.159 1.751 1.00 25.04 H new ATOM 0 HG23 ILE A 37 9.314 -0.480 1.216 1.00 25.04 H new ATOM 0 HD11 ILE A 37 4.521 0.104 1.235 1.00 22.10 H new ATOM 0 HD12 ILE A 37 5.105 -1.099 0.060 1.00 22.10 H new ATOM 0 HD13 ILE A 37 4.763 -1.587 1.737 1.00 22.10 H new ATOM 557 N GLU A 38 7.278 -0.159 -1.538 1.00 35.33 N ATOM 558 CA GLU A 38 7.704 0.957 -2.374 1.00 34.23 C ATOM 559 C GLU A 38 6.634 2.044 -2.417 1.00 60.41 C ATOM 560 O GLU A 38 5.444 1.754 -2.531 1.00 34.01 O ATOM 561 CB GLU A 38 8.011 0.471 -3.792 1.00 45.33 C ATOM 562 CG GLU A 38 8.479 1.576 -4.725 1.00 62.23 C ATOM 563 CD GLU A 38 9.788 1.243 -5.414 1.00 32.22 C ATOM 564 OE1 GLU A 38 10.851 1.414 -4.782 1.00 71.41 O ATOM 565 OE2 GLU A 38 9.749 0.812 -6.585 1.00 42.21 O ATOM 0 H GLU A 38 6.268 -0.238 -1.422 1.00 35.33 H new ATOM 0 HA GLU A 38 8.609 1.380 -1.938 1.00 34.23 H new ATOM 0 HB2 GLU A 38 8.778 -0.302 -3.744 1.00 45.33 H new ATOM 0 HB3 GLU A 38 7.117 0.008 -4.210 1.00 45.33 H new ATOM 0 HG2 GLU A 38 7.713 1.759 -5.478 1.00 62.23 H new ATOM 0 HG3 GLU A 38 8.596 2.500 -4.158 1.00 62.23 H new ATOM 572 N ALA A 39 7.068 3.296 -2.326 1.00 0.21 N ATOM 573 CA ALA A 39 6.149 4.428 -2.357 1.00 71.32 C ATOM 574 C ALA A 39 6.384 5.293 -3.590 1.00 33.52 C ATOM 575 O ALA A 39 7.526 5.595 -3.939 1.00 0.50 O ATOM 576 CB ALA A 39 6.293 5.259 -1.091 1.00 70.32 C ATOM 0 H ALA A 39 8.050 3.553 -2.230 1.00 0.21 H new ATOM 0 HA ALA A 39 5.133 4.038 -2.409 1.00 71.32 H new ATOM 0 HB1 ALA A 39 5.601 6.101 -1.128 1.00 70.32 H new ATOM 0 HB2 ALA A 39 6.067 4.641 -0.222 1.00 70.32 H new ATOM 0 HB3 ALA A 39 7.314 5.632 -1.015 1.00 70.32 H new ATOM 582 N ILE A 40 5.298 5.687 -4.245 1.00 43.25 N ATOM 583 CA ILE A 40 5.388 6.518 -5.440 1.00 12.30 C ATOM 584 C ILE A 40 4.133 7.369 -5.613 1.00 42.13 C ATOM 585 O ILE A 40 3.221 7.322 -4.789 1.00 14.03 O ATOM 586 CB ILE A 40 5.594 5.665 -6.705 1.00 42.22 C ATOM 587 CG1 ILE A 40 4.587 4.514 -6.741 1.00 25.02 C ATOM 588 CG2 ILE A 40 7.018 5.133 -6.758 1.00 62.41 C ATOM 589 CD1 ILE A 40 3.823 4.420 -8.043 1.00 13.52 C ATOM 0 H ILE A 40 4.346 5.445 -3.969 1.00 43.25 H new ATOM 0 HA ILE A 40 6.251 7.170 -5.307 1.00 12.30 H new ATOM 0 HB ILE A 40 5.429 6.293 -7.580 1.00 42.22 H new ATOM 0 HG12 ILE A 40 5.114 3.575 -6.570 1.00 25.02 H new ATOM 0 HG13 ILE A 40 3.879 4.636 -5.921 1.00 25.02 H new ATOM 0 HG21 ILE A 40 7.149 4.532 -7.658 1.00 62.41 H new ATOM 0 HG22 ILE A 40 7.718 5.968 -6.775 1.00 62.41 H new ATOM 0 HG23 ILE A 40 7.209 4.517 -5.879 1.00 62.41 H new ATOM 0 HD11 ILE A 40 3.128 3.582 -7.997 1.00 13.52 H new ATOM 0 HD12 ILE A 40 3.268 5.344 -8.207 1.00 13.52 H new ATOM 0 HD13 ILE A 40 4.522 4.267 -8.865 1.00 13.52 H new ATOM 601 N ALA A 41 4.095 8.144 -6.692 1.00 20.41 N ATOM 602 CA ALA A 41 2.952 9.002 -6.976 1.00 53.13 C ATOM 603 C ALA A 41 1.900 8.262 -7.795 1.00 60.01 C ATOM 604 O ALA A 41 2.217 7.329 -8.532 1.00 44.21 O ATOM 605 CB ALA A 41 3.403 10.259 -7.705 1.00 55.20 C ATOM 0 H ALA A 41 4.843 8.195 -7.384 1.00 20.41 H new ATOM 0 HA ALA A 41 2.500 9.289 -6.026 1.00 53.13 H new ATOM 0 HB1 ALA A 41 2.539 10.890 -7.911 1.00 55.20 H new ATOM 0 HB2 ALA A 41 4.112 10.806 -7.083 1.00 55.20 H new ATOM 0 HB3 ALA A 41 3.882 9.983 -8.644 1.00 55.20 H new ATOM 611 N GLU A 42 0.646 8.683 -7.660 1.00 33.20 N ATOM 612 CA GLU A 42 -0.452 8.058 -8.387 1.00 75.24 C ATOM 613 C GLU A 42 -0.203 8.102 -9.892 1.00 42.34 C ATOM 614 O GLU A 42 -0.735 7.286 -10.646 1.00 50.22 O ATOM 615 CB GLU A 42 -1.774 8.754 -8.058 1.00 34.01 C ATOM 616 CG GLU A 42 -1.764 10.246 -8.345 1.00 71.24 C ATOM 617 CD GLU A 42 -1.428 11.074 -7.120 1.00 50.15 C ATOM 618 OE1 GLU A 42 -0.998 10.485 -6.107 1.00 14.34 O ATOM 619 OE2 GLU A 42 -1.593 12.311 -7.177 1.00 33.33 O ATOM 0 H GLU A 42 0.366 9.454 -7.054 1.00 33.20 H new ATOM 0 HA GLU A 42 -0.512 7.015 -8.076 1.00 75.24 H new ATOM 0 HB2 GLU A 42 -2.574 8.287 -8.633 1.00 34.01 H new ATOM 0 HB3 GLU A 42 -2.005 8.597 -7.005 1.00 34.01 H new ATOM 0 HG2 GLU A 42 -1.039 10.456 -9.131 1.00 71.24 H new ATOM 0 HG3 GLU A 42 -2.741 10.546 -8.725 1.00 71.24 H new ATOM 626 N THR A 43 0.611 9.062 -10.323 1.00 72.51 N ATOM 627 CA THR A 43 0.929 9.214 -11.737 1.00 63.44 C ATOM 628 C THR A 43 1.538 7.937 -12.305 1.00 73.51 C ATOM 629 O THR A 43 1.174 7.496 -13.395 1.00 31.15 O ATOM 630 CB THR A 43 1.907 10.382 -11.969 1.00 53.13 C ATOM 631 OG1 THR A 43 3.138 10.134 -11.282 1.00 64.21 O ATOM 632 CG2 THR A 43 1.306 11.693 -11.488 1.00 4.44 C ATOM 0 H THR A 43 1.061 9.745 -9.713 1.00 72.51 H new ATOM 0 HA THR A 43 -0.009 9.425 -12.251 1.00 63.44 H new ATOM 0 HB THR A 43 2.099 10.460 -13.039 1.00 53.13 H new ATOM 0 HG1 THR A 43 3.755 10.880 -11.436 1.00 64.21 H new ATOM 0 HG21 THR A 43 2.014 12.503 -11.662 1.00 4.44 H new ATOM 0 HG22 THR A 43 0.384 11.893 -12.035 1.00 4.44 H new ATOM 0 HG23 THR A 43 1.088 11.624 -10.422 1.00 4.44 H new ATOM 640 N ARG A 44 2.467 7.346 -11.559 1.00 53.32 N ATOM 641 CA ARG A 44 3.126 6.119 -11.989 1.00 52.31 C ATOM 642 C ARG A 44 2.596 4.917 -11.213 1.00 31.02 C ATOM 643 O ARG A 44 3.223 3.858 -11.185 1.00 31.22 O ATOM 644 CB ARG A 44 4.639 6.235 -11.799 1.00 42.13 C ATOM 645 CG ARG A 44 5.267 7.372 -12.591 1.00 33.44 C ATOM 646 CD ARG A 44 6.436 7.994 -11.843 1.00 33.54 C ATOM 647 NE ARG A 44 6.556 9.425 -12.107 1.00 62.32 N ATOM 648 CZ ARG A 44 7.670 10.118 -11.900 1.00 53.33 C ATOM 649 NH1 ARG A 44 8.753 9.516 -11.430 1.00 11.34 N ATOM 650 NH2 ARG A 44 7.702 11.418 -12.166 1.00 15.01 N ATOM 0 H ARG A 44 2.780 7.698 -10.654 1.00 53.32 H new ATOM 0 HA ARG A 44 2.909 5.971 -13.047 1.00 52.31 H new ATOM 0 HB2 ARG A 44 4.854 6.379 -10.740 1.00 42.13 H new ATOM 0 HB3 ARG A 44 5.107 5.296 -12.094 1.00 42.13 H new ATOM 0 HG2 ARG A 44 5.609 6.999 -13.556 1.00 33.44 H new ATOM 0 HG3 ARG A 44 4.515 8.135 -12.792 1.00 33.44 H new ATOM 0 HD2 ARG A 44 6.309 7.832 -10.773 1.00 33.54 H new ATOM 0 HD3 ARG A 44 7.360 7.493 -12.133 1.00 33.54 H new ATOM 0 HE ARG A 44 5.741 9.919 -12.470 1.00 62.32 H new ATOM 0 HH11 ARG A 44 8.733 8.517 -11.226 1.00 11.34 H new ATOM 0 HH12 ARG A 44 9.607 10.052 -11.272 1.00 11.34 H new ATOM 0 HH21 ARG A 44 6.871 11.885 -12.529 1.00 15.01 H new ATOM 0 HH22 ARG A 44 8.558 11.950 -12.007 1.00 15.01 H new ATOM 664 N LEU A 45 1.438 5.089 -10.584 1.00 2.41 N ATOM 665 CA LEU A 45 0.824 4.019 -9.807 1.00 22.44 C ATOM 666 C LEU A 45 0.275 2.927 -10.721 1.00 41.40 C ATOM 667 O LEU A 45 0.565 1.745 -10.538 1.00 11.34 O ATOM 668 CB LEU A 45 -0.298 4.577 -8.930 1.00 3.02 C ATOM 669 CG LEU A 45 -1.283 3.553 -8.366 1.00 24.45 C ATOM 670 CD1 LEU A 45 -1.776 3.986 -6.994 1.00 30.23 C ATOM 671 CD2 LEU A 45 -2.452 3.356 -9.317 1.00 74.42 C ATOM 0 H LEU A 45 0.906 5.959 -10.597 1.00 2.41 H new ATOM 0 HA LEU A 45 1.592 3.581 -9.169 1.00 22.44 H new ATOM 0 HB2 LEU A 45 0.153 5.114 -8.096 1.00 3.02 H new ATOM 0 HB3 LEU A 45 -0.859 5.307 -9.514 1.00 3.02 H new ATOM 0 HG LEU A 45 -0.764 2.600 -8.259 1.00 24.45 H new ATOM 0 HD11 LEU A 45 -2.476 3.245 -6.608 1.00 30.23 H new ATOM 0 HD12 LEU A 45 -0.929 4.073 -6.314 1.00 30.23 H new ATOM 0 HD13 LEU A 45 -2.277 4.951 -7.075 1.00 30.23 H new ATOM 0 HD21 LEU A 45 -3.142 2.624 -8.898 1.00 74.42 H new ATOM 0 HD22 LEU A 45 -2.971 4.304 -9.458 1.00 74.42 H new ATOM 0 HD23 LEU A 45 -2.083 2.998 -10.278 1.00 74.42 H new ATOM 683 N SER A 46 -0.518 3.333 -11.707 1.00 42.24 N ATOM 684 CA SER A 46 -1.109 2.391 -12.651 1.00 53.30 C ATOM 685 C SER A 46 -0.063 1.880 -13.636 1.00 61.34 C ATOM 686 O SER A 46 -0.281 0.888 -14.330 1.00 71.12 O ATOM 687 CB SER A 46 -2.262 3.051 -13.410 1.00 2.41 C ATOM 688 OG SER A 46 -1.822 4.210 -14.097 1.00 33.02 O ATOM 0 H SER A 46 -0.766 4.308 -11.873 1.00 42.24 H new ATOM 0 HA SER A 46 -1.495 1.543 -12.085 1.00 53.30 H new ATOM 0 HB2 SER A 46 -2.687 2.342 -14.121 1.00 2.41 H new ATOM 0 HB3 SER A 46 -3.056 3.317 -12.712 1.00 2.41 H new ATOM 0 HG SER A 46 -2.576 4.613 -14.576 1.00 33.02 H new ATOM 694 N GLU A 47 1.074 2.566 -13.691 1.00 44.12 N ATOM 695 CA GLU A 47 2.155 2.182 -14.592 1.00 50.24 C ATOM 696 C GLU A 47 3.057 1.136 -13.945 1.00 24.02 C ATOM 697 O GLU A 47 3.750 0.386 -14.632 1.00 52.11 O ATOM 698 CB GLU A 47 2.979 3.409 -14.987 1.00 50.53 C ATOM 699 CG GLU A 47 2.955 3.706 -16.477 1.00 30.33 C ATOM 700 CD GLU A 47 4.287 4.213 -16.993 1.00 23.20 C ATOM 701 OE1 GLU A 47 5.316 3.559 -16.720 1.00 4.21 O ATOM 702 OE2 GLU A 47 4.301 5.262 -17.670 1.00 2.34 O ATOM 0 H GLU A 47 1.271 3.390 -13.123 1.00 44.12 H new ATOM 0 HA GLU A 47 1.710 1.748 -15.488 1.00 50.24 H new ATOM 0 HB2 GLU A 47 2.603 4.278 -14.446 1.00 50.53 H new ATOM 0 HB3 GLU A 47 4.012 3.259 -14.672 1.00 50.53 H new ATOM 0 HG2 GLU A 47 2.680 2.801 -17.019 1.00 30.33 H new ATOM 0 HG3 GLU A 47 2.184 4.448 -16.683 1.00 30.33 H new ATOM 709 N VAL A 48 3.045 1.093 -12.616 1.00 61.31 N ATOM 710 CA VAL A 48 3.862 0.139 -11.874 1.00 53.22 C ATOM 711 C VAL A 48 3.006 -0.978 -11.288 1.00 55.32 C ATOM 712 O VAL A 48 3.492 -2.079 -11.033 1.00 31.15 O ATOM 713 CB VAL A 48 4.636 0.830 -10.736 1.00 34.32 C ATOM 714 CG1 VAL A 48 5.495 1.958 -11.282 1.00 43.43 C ATOM 715 CG2 VAL A 48 3.675 1.345 -9.675 1.00 53.41 C ATOM 0 H VAL A 48 2.479 1.708 -12.031 1.00 61.31 H new ATOM 0 HA VAL A 48 4.574 -0.287 -12.581 1.00 53.22 H new ATOM 0 HB VAL A 48 5.295 0.097 -10.271 1.00 34.32 H new ATOM 0 HG11 VAL A 48 6.034 2.434 -10.463 1.00 43.43 H new ATOM 0 HG12 VAL A 48 6.209 1.556 -12.001 1.00 43.43 H new ATOM 0 HG13 VAL A 48 4.859 2.694 -11.774 1.00 43.43 H new ATOM 0 HG21 VAL A 48 4.239 1.830 -8.878 1.00 53.41 H new ATOM 0 HG22 VAL A 48 2.989 2.063 -10.124 1.00 53.41 H new ATOM 0 HG23 VAL A 48 3.108 0.511 -9.262 1.00 53.41 H new ATOM 725 N VAL A 49 1.725 -0.687 -11.077 1.00 51.42 N ATOM 726 CA VAL A 49 0.800 -1.667 -10.523 1.00 14.13 C ATOM 727 C VAL A 49 0.853 -2.976 -11.302 1.00 70.22 C ATOM 728 O VAL A 49 0.618 -4.050 -10.749 1.00 11.10 O ATOM 729 CB VAL A 49 -0.647 -1.138 -10.527 1.00 52.10 C ATOM 730 CG1 VAL A 49 -1.167 -1.017 -11.951 1.00 72.44 C ATOM 731 CG2 VAL A 49 -1.546 -2.042 -9.697 1.00 52.41 C ATOM 0 H VAL A 49 1.306 0.220 -11.282 1.00 51.42 H new ATOM 0 HA VAL A 49 1.110 -1.848 -9.494 1.00 14.13 H new ATOM 0 HB VAL A 49 -0.654 -0.145 -10.078 1.00 52.10 H new ATOM 0 HG11 VAL A 49 -2.190 -0.642 -11.934 1.00 72.44 H new ATOM 0 HG12 VAL A 49 -0.537 -0.326 -12.511 1.00 72.44 H new ATOM 0 HG13 VAL A 49 -1.147 -1.996 -12.430 1.00 72.44 H new ATOM 0 HG21 VAL A 49 -2.564 -1.654 -9.710 1.00 52.41 H new ATOM 0 HG22 VAL A 49 -1.536 -3.049 -10.115 1.00 52.41 H new ATOM 0 HG23 VAL A 49 -1.183 -2.072 -8.670 1.00 52.41 H new ATOM 741 N ASP A 50 1.164 -2.879 -12.590 1.00 2.22 N ATOM 742 CA ASP A 50 1.250 -4.056 -13.447 1.00 4.12 C ATOM 743 C ASP A 50 2.224 -5.078 -12.869 1.00 33.44 C ATOM 744 O ASP A 50 2.103 -6.277 -13.123 1.00 40.34 O ATOM 745 CB ASP A 50 1.690 -3.655 -14.856 1.00 60.44 C ATOM 746 CG ASP A 50 1.138 -4.584 -15.920 1.00 13.25 C ATOM 747 OD1 ASP A 50 0.020 -5.106 -15.729 1.00 14.21 O ATOM 748 OD2 ASP A 50 1.824 -4.790 -16.943 1.00 24.22 O ATOM 0 H ASP A 50 1.361 -1.997 -13.064 1.00 2.22 H new ATOM 0 HA ASP A 50 0.261 -4.511 -13.499 1.00 4.12 H new ATOM 0 HB2 ASP A 50 1.361 -2.636 -15.060 1.00 60.44 H new ATOM 0 HB3 ASP A 50 2.779 -3.654 -14.907 1.00 60.44 H new ATOM 753 N ARG A 51 3.188 -4.597 -12.091 1.00 12.43 N ATOM 754 CA ARG A 51 4.183 -5.469 -11.478 1.00 72.33 C ATOM 755 C ARG A 51 3.881 -5.682 -9.998 1.00 74.11 C ATOM 756 O ARG A 51 3.942 -6.806 -9.497 1.00 13.42 O ATOM 757 CB ARG A 51 5.583 -4.876 -11.644 1.00 70.45 C ATOM 758 CG ARG A 51 5.923 -4.510 -13.080 1.00 64.33 C ATOM 759 CD ARG A 51 7.285 -5.052 -13.485 1.00 34.31 C ATOM 760 NE ARG A 51 8.353 -4.548 -12.627 1.00 31.41 N ATOM 761 CZ ARG A 51 9.643 -4.762 -12.856 1.00 44.41 C ATOM 762 NH1 ARG A 51 10.024 -5.466 -13.913 1.00 4.04 N ATOM 763 NH2 ARG A 51 10.556 -4.269 -12.029 1.00 30.34 N ATOM 0 H ARG A 51 3.301 -3.608 -11.870 1.00 12.43 H new ATOM 0 HA ARG A 51 4.143 -6.435 -11.982 1.00 72.33 H new ATOM 0 HB2 ARG A 51 5.667 -3.985 -11.021 1.00 70.45 H new ATOM 0 HB3 ARG A 51 6.318 -5.592 -11.277 1.00 70.45 H new ATOM 0 HG2 ARG A 51 5.159 -4.907 -13.748 1.00 64.33 H new ATOM 0 HG3 ARG A 51 5.913 -3.426 -13.192 1.00 64.33 H new ATOM 0 HD2 ARG A 51 7.269 -6.141 -13.442 1.00 34.31 H new ATOM 0 HD3 ARG A 51 7.491 -4.777 -14.519 1.00 34.31 H new ATOM 0 HE ARG A 51 8.094 -4.001 -11.806 1.00 31.41 H new ATOM 0 HH11 ARG A 51 9.325 -5.845 -14.552 1.00 4.04 H new ATOM 0 HH12 ARG A 51 11.016 -5.629 -14.087 1.00 4.04 H new ATOM 0 HH21 ARG A 51 10.267 -3.725 -11.216 1.00 30.34 H new ATOM 0 HH22 ARG A 51 11.547 -4.434 -12.206 1.00 30.34 H new ATOM 777 N PHE A 52 3.558 -4.597 -9.302 1.00 55.15 N ATOM 778 CA PHE A 52 3.247 -4.665 -7.880 1.00 5.14 C ATOM 779 C PHE A 52 2.027 -5.545 -7.629 1.00 54.14 C ATOM 780 O PHE A 52 1.289 -5.881 -8.557 1.00 63.00 O ATOM 781 CB PHE A 52 3.002 -3.261 -7.322 1.00 34.32 C ATOM 782 CG PHE A 52 4.265 -2.501 -7.032 1.00 35.42 C ATOM 783 CD1 PHE A 52 4.906 -2.638 -5.812 1.00 33.22 C ATOM 784 CD2 PHE A 52 4.811 -1.652 -7.980 1.00 22.40 C ATOM 785 CE1 PHE A 52 6.068 -1.940 -5.542 1.00 55.50 C ATOM 786 CE2 PHE A 52 5.973 -0.951 -7.716 1.00 63.51 C ATOM 787 CZ PHE A 52 6.603 -1.097 -6.496 1.00 53.32 C ATOM 0 H PHE A 52 3.505 -3.660 -9.701 1.00 55.15 H new ATOM 0 HA PHE A 52 4.102 -5.108 -7.369 1.00 5.14 H new ATOM 0 HB2 PHE A 52 2.403 -2.695 -8.035 1.00 34.32 H new ATOM 0 HB3 PHE A 52 2.417 -3.340 -6.406 1.00 34.32 H new ATOM 0 HD1 PHE A 52 4.493 -3.298 -5.063 1.00 33.22 H new ATOM 0 HD2 PHE A 52 4.323 -1.536 -8.937 1.00 22.40 H new ATOM 0 HE1 PHE A 52 6.557 -2.054 -4.586 1.00 55.50 H new ATOM 0 HE2 PHE A 52 6.387 -0.290 -8.463 1.00 63.51 H new ATOM 0 HZ PHE A 52 7.513 -0.553 -6.288 1.00 53.32 H new ATOM 797 N ASP A 53 1.819 -5.914 -6.371 1.00 33.51 N ATOM 798 CA ASP A 53 0.687 -6.755 -5.997 1.00 63.12 C ATOM 799 C ASP A 53 -0.483 -5.905 -5.508 1.00 65.44 C ATOM 800 O ASP A 53 -1.475 -5.733 -6.215 1.00 11.11 O ATOM 801 CB ASP A 53 1.100 -7.751 -4.912 1.00 13.45 C ATOM 802 CG ASP A 53 1.769 -8.984 -5.483 1.00 21.41 C ATOM 803 OD1 ASP A 53 1.269 -9.517 -6.495 1.00 71.03 O ATOM 804 OD2 ASP A 53 2.794 -9.418 -4.917 1.00 4.01 O ATOM 0 H ASP A 53 2.419 -5.644 -5.592 1.00 33.51 H new ATOM 0 HA ASP A 53 0.367 -7.306 -6.881 1.00 63.12 H new ATOM 0 HB2 ASP A 53 1.780 -7.262 -4.214 1.00 13.45 H new ATOM 0 HB3 ASP A 53 0.220 -8.050 -4.343 1.00 13.45 H new ATOM 809 N VAL A 54 -0.358 -5.379 -4.294 1.00 63.32 N ATOM 810 CA VAL A 54 -1.404 -4.548 -3.710 1.00 53.22 C ATOM 811 C VAL A 54 -0.973 -3.088 -3.644 1.00 2.34 C ATOM 812 O VAL A 54 0.215 -2.774 -3.740 1.00 32.34 O ATOM 813 CB VAL A 54 -1.776 -5.027 -2.295 1.00 53.51 C ATOM 814 CG1 VAL A 54 -2.371 -6.427 -2.343 1.00 42.13 C ATOM 815 CG2 VAL A 54 -0.561 -4.986 -1.382 1.00 2.35 C ATOM 0 H VAL A 54 0.457 -5.514 -3.696 1.00 63.32 H new ATOM 0 HA VAL A 54 -2.277 -4.637 -4.357 1.00 53.22 H new ATOM 0 HB VAL A 54 -2.530 -4.352 -1.889 1.00 53.51 H new ATOM 0 HG11 VAL A 54 -2.628 -6.748 -1.333 1.00 42.13 H new ATOM 0 HG12 VAL A 54 -3.269 -6.420 -2.961 1.00 42.13 H new ATOM 0 HG13 VAL A 54 -1.643 -7.117 -2.769 1.00 42.13 H new ATOM 0 HG21 VAL A 54 -0.843 -5.328 -0.386 1.00 2.35 H new ATOM 0 HG22 VAL A 54 0.217 -5.636 -1.782 1.00 2.35 H new ATOM 0 HG23 VAL A 54 -0.185 -3.965 -1.322 1.00 2.35 H new ATOM 825 N VAL A 55 -1.944 -2.195 -3.479 1.00 72.40 N ATOM 826 CA VAL A 55 -1.665 -0.767 -3.398 1.00 12.21 C ATOM 827 C VAL A 55 -2.375 -0.136 -2.206 1.00 3.31 C ATOM 828 O VAL A 55 -3.439 -0.594 -1.788 1.00 12.53 O ATOM 829 CB VAL A 55 -2.097 -0.037 -4.683 1.00 43.02 C ATOM 830 CG1 VAL A 55 -1.616 1.407 -4.665 1.00 21.22 C ATOM 831 CG2 VAL A 55 -1.572 -0.767 -5.911 1.00 51.43 C ATOM 0 H VAL A 55 -2.932 -2.436 -3.399 1.00 72.40 H new ATOM 0 HA VAL A 55 -0.587 -0.661 -3.274 1.00 12.21 H new ATOM 0 HB VAL A 55 -3.186 -0.031 -4.729 1.00 43.02 H new ATOM 0 HG11 VAL A 55 -1.931 1.907 -5.581 1.00 21.22 H new ATOM 0 HG12 VAL A 55 -2.044 1.922 -3.805 1.00 21.22 H new ATOM 0 HG13 VAL A 55 -0.528 1.427 -4.596 1.00 21.22 H new ATOM 0 HG21 VAL A 55 -1.886 -0.238 -6.811 1.00 51.43 H new ATOM 0 HG22 VAL A 55 -0.483 -0.805 -5.874 1.00 51.43 H new ATOM 0 HG23 VAL A 55 -1.970 -1.782 -5.929 1.00 51.43 H new ATOM 841 N LEU A 56 -1.780 0.920 -1.661 1.00 20.32 N ATOM 842 CA LEU A 56 -2.355 1.616 -0.515 1.00 40.24 C ATOM 843 C LEU A 56 -2.276 3.128 -0.701 1.00 42.12 C ATOM 844 O LEU A 56 -1.249 3.659 -1.127 1.00 52.21 O ATOM 845 CB LEU A 56 -1.631 1.211 0.769 1.00 23.32 C ATOM 846 CG LEU A 56 -2.041 -0.132 1.376 1.00 44.02 C ATOM 847 CD1 LEU A 56 -0.844 -1.067 1.458 1.00 71.13 C ATOM 848 CD2 LEU A 56 -2.658 0.070 2.751 1.00 2.54 C ATOM 0 H LEU A 56 -0.900 1.313 -1.994 1.00 20.32 H new ATOM 0 HA LEU A 56 -3.404 1.332 -0.438 1.00 40.24 H new ATOM 0 HB2 LEU A 56 -0.561 1.183 0.565 1.00 23.32 H new ATOM 0 HB3 LEU A 56 -1.794 1.989 1.515 1.00 23.32 H new ATOM 0 HG LEU A 56 -2.790 -0.589 0.729 1.00 44.02 H new ATOM 0 HD11 LEU A 56 -1.154 -2.018 1.892 1.00 71.13 H new ATOM 0 HD12 LEU A 56 -0.446 -1.237 0.458 1.00 71.13 H new ATOM 0 HD13 LEU A 56 -0.073 -0.617 2.083 1.00 71.13 H new ATOM 0 HD21 LEU A 56 -2.943 -0.896 3.167 1.00 2.54 H new ATOM 0 HD22 LEU A 56 -1.932 0.548 3.409 1.00 2.54 H new ATOM 0 HD23 LEU A 56 -3.541 0.703 2.664 1.00 2.54 H new ATOM 860 N LEU A 57 -3.365 3.817 -0.379 1.00 35.14 N ATOM 861 CA LEU A 57 -3.419 5.269 -0.508 1.00 34.32 C ATOM 862 C LEU A 57 -3.506 5.934 0.861 1.00 2.53 C ATOM 863 O LEU A 57 -4.264 5.499 1.728 1.00 25.32 O ATOM 864 CB LEU A 57 -4.618 5.680 -1.364 1.00 13.34 C ATOM 865 CG LEU A 57 -4.942 7.175 -1.393 1.00 23.50 C ATOM 866 CD1 LEU A 57 -3.841 7.945 -2.105 1.00 20.41 C ATOM 867 CD2 LEU A 57 -6.286 7.416 -2.065 1.00 4.10 C ATOM 0 H LEU A 57 -4.223 3.393 -0.026 1.00 35.14 H new ATOM 0 HA LEU A 57 -2.502 5.600 -0.995 1.00 34.32 H new ATOM 0 HB2 LEU A 57 -4.440 5.347 -2.387 1.00 13.34 H new ATOM 0 HB3 LEU A 57 -5.497 5.145 -1.003 1.00 13.34 H new ATOM 0 HG LEU A 57 -5.003 7.535 -0.366 1.00 23.50 H new ATOM 0 HD11 LEU A 57 -4.088 9.007 -2.116 1.00 20.41 H new ATOM 0 HD12 LEU A 57 -2.897 7.798 -1.581 1.00 20.41 H new ATOM 0 HD13 LEU A 57 -3.748 7.583 -3.129 1.00 20.41 H new ATOM 0 HD21 LEU A 57 -6.500 8.485 -2.077 1.00 4.10 H new ATOM 0 HD22 LEU A 57 -6.254 7.041 -3.088 1.00 4.10 H new ATOM 0 HD23 LEU A 57 -7.068 6.895 -1.512 1.00 4.10 H new ATOM 879 N ALA A 58 -2.726 6.994 1.049 1.00 5.11 N ATOM 880 CA ALA A 58 -2.717 7.722 2.312 1.00 51.23 C ATOM 881 C ALA A 58 -4.048 8.429 2.546 1.00 11.13 C ATOM 882 O ALA A 58 -4.827 8.660 1.622 1.00 55.33 O ATOM 883 CB ALA A 58 -1.574 8.726 2.334 1.00 43.33 C ATOM 0 H ALA A 58 -2.092 7.368 0.342 1.00 5.11 H new ATOM 0 HA ALA A 58 -2.570 7.002 3.117 1.00 51.23 H new ATOM 0 HB1 ALA A 58 -1.579 9.263 3.283 1.00 43.33 H new ATOM 0 HB2 ALA A 58 -0.626 8.201 2.219 1.00 43.33 H new ATOM 0 HB3 ALA A 58 -1.697 9.435 1.515 1.00 43.33 H new ATOM 889 N PRO A 59 -4.317 8.782 3.813 1.00 64.45 N ATOM 890 CA PRO A 59 -5.553 9.467 4.199 1.00 61.44 C ATOM 891 C PRO A 59 -5.605 10.901 3.686 1.00 41.45 C ATOM 892 O PRO A 59 -6.684 11.454 3.470 1.00 4.12 O ATOM 893 CB PRO A 59 -5.507 9.447 5.728 1.00 11.32 C ATOM 894 CG PRO A 59 -4.058 9.354 6.063 1.00 74.33 C ATOM 895 CD PRO A 59 -3.432 8.538 4.965 1.00 71.21 C ATOM 0 HA PRO A 59 -6.435 8.983 3.779 1.00 61.44 H new ATOM 0 HB2 PRO A 59 -5.954 10.348 6.149 1.00 11.32 H new ATOM 0 HB3 PRO A 59 -6.061 8.599 6.130 1.00 11.32 H new ATOM 0 HG2 PRO A 59 -3.606 10.344 6.120 1.00 74.33 H new ATOM 0 HG3 PRO A 59 -3.911 8.880 7.034 1.00 74.33 H new ATOM 0 HD2 PRO A 59 -2.410 8.856 4.761 1.00 71.21 H new ATOM 0 HD3 PRO A 59 -3.391 7.480 5.224 1.00 71.21 H new ATOM 903 N GLN A 60 -4.434 11.499 3.491 1.00 21.33 N ATOM 904 CA GLN A 60 -4.347 12.869 3.003 1.00 54.43 C ATOM 905 C GLN A 60 -4.573 12.926 1.495 1.00 25.01 C ATOM 906 O GLN A 60 -3.682 12.597 0.712 1.00 64.32 O ATOM 907 CB GLN A 60 -2.985 13.472 3.350 1.00 51.04 C ATOM 908 CG GLN A 60 -2.734 13.589 4.844 1.00 35.35 C ATOM 909 CD GLN A 60 -2.394 15.004 5.271 1.00 73.15 C ATOM 910 OE1 GLN A 60 -1.248 15.441 5.153 1.00 14.52 O ATOM 911 NE2 GLN A 60 -3.389 15.727 5.768 1.00 11.31 N ATOM 0 H GLN A 60 -3.532 11.055 3.664 1.00 21.33 H new ATOM 0 HA GLN A 60 -5.129 13.451 3.491 1.00 54.43 H new ATOM 0 HB2 GLN A 60 -2.201 12.858 2.905 1.00 51.04 H new ATOM 0 HB3 GLN A 60 -2.910 14.461 2.899 1.00 51.04 H new ATOM 0 HG2 GLN A 60 -3.619 13.254 5.384 1.00 35.35 H new ATOM 0 HG3 GLN A 60 -1.918 12.923 5.124 1.00 35.35 H new ATOM 0 HE21 GLN A 60 -4.323 15.324 5.847 1.00 11.31 H new ATOM 0 HE22 GLN A 60 -3.221 16.686 6.071 1.00 11.31 H new ATOM 920 N SER A 61 -5.769 13.346 1.096 1.00 62.13 N ATOM 921 CA SER A 61 -6.112 13.442 -0.318 1.00 32.40 C ATOM 922 C SER A 61 -7.535 13.964 -0.498 1.00 3.45 C ATOM 923 O SER A 61 -8.487 13.401 0.041 1.00 60.43 O ATOM 924 CB SER A 61 -5.970 12.076 -0.992 1.00 50.32 C ATOM 925 OG SER A 61 -5.956 11.032 -0.034 1.00 54.22 O ATOM 0 H SER A 61 -6.516 13.625 1.731 1.00 62.13 H new ATOM 0 HA SER A 61 -5.423 14.145 -0.787 1.00 32.40 H new ATOM 0 HB2 SER A 61 -6.795 11.923 -1.688 1.00 50.32 H new ATOM 0 HB3 SER A 61 -5.050 12.050 -1.576 1.00 50.32 H new ATOM 0 HG SER A 61 -5.866 10.170 -0.491 1.00 54.22 H new ATOM 931 N ARG A 62 -7.669 15.047 -1.257 1.00 63.53 N ATOM 932 CA ARG A 62 -8.974 15.647 -1.507 1.00 30.32 C ATOM 933 C ARG A 62 -9.609 15.062 -2.765 1.00 12.04 C ATOM 934 O ARG A 62 -10.634 14.383 -2.697 1.00 50.52 O ATOM 935 CB ARG A 62 -8.841 17.165 -1.647 1.00 35.11 C ATOM 936 CG ARG A 62 -7.990 17.805 -0.563 1.00 40.04 C ATOM 937 CD ARG A 62 -7.869 19.307 -0.764 1.00 43.44 C ATOM 938 NE ARG A 62 -7.175 19.954 0.346 1.00 73.11 N ATOM 939 CZ ARG A 62 -5.863 19.875 0.538 1.00 4.13 C ATOM 940 NH1 ARG A 62 -5.107 19.181 -0.301 1.00 40.03 N ATOM 941 NH2 ARG A 62 -5.304 20.491 1.572 1.00 32.03 N ATOM 0 H ARG A 62 -6.890 15.526 -1.709 1.00 63.53 H new ATOM 0 HA ARG A 62 -9.619 15.422 -0.658 1.00 30.32 H new ATOM 0 HB2 ARG A 62 -8.407 17.395 -2.620 1.00 35.11 H new ATOM 0 HB3 ARG A 62 -9.835 17.612 -1.627 1.00 35.11 H new ATOM 0 HG2 ARG A 62 -8.430 17.602 0.414 1.00 40.04 H new ATOM 0 HG3 ARG A 62 -6.997 17.355 -0.565 1.00 40.04 H new ATOM 0 HD2 ARG A 62 -7.333 19.506 -1.692 1.00 43.44 H new ATOM 0 HD3 ARG A 62 -8.864 19.740 -0.871 1.00 43.44 H new ATOM 0 HE ARG A 62 -7.728 20.496 1.010 1.00 73.11 H new ATOM 0 HH11 ARG A 62 -5.532 18.706 -1.097 1.00 40.03 H new ATOM 0 HH12 ARG A 62 -4.100 19.122 -0.151 1.00 40.03 H new ATOM 0 HH21 ARG A 62 -5.882 21.026 2.220 1.00 32.03 H new ATOM 0 HH22 ARG A 62 -4.296 20.430 1.718 1.00 32.03 H new ATOM 955 N PHE A 63 -8.995 15.332 -3.912 1.00 53.20 N ATOM 956 CA PHE A 63 -9.501 14.834 -5.186 1.00 11.43 C ATOM 957 C PHE A 63 -8.808 13.531 -5.575 1.00 13.52 C ATOM 958 O PHE A 63 -9.382 12.696 -6.272 1.00 62.43 O ATOM 959 CB PHE A 63 -9.297 15.881 -6.284 1.00 71.41 C ATOM 960 CG PHE A 63 -10.571 16.282 -6.973 1.00 24.03 C ATOM 961 CD1 PHE A 63 -11.092 15.510 -7.997 1.00 34.21 C ATOM 962 CD2 PHE A 63 -11.244 17.433 -6.596 1.00 21.25 C ATOM 963 CE1 PHE A 63 -12.264 15.877 -8.633 1.00 71.33 C ATOM 964 CE2 PHE A 63 -12.416 17.805 -7.227 1.00 20.40 C ATOM 965 CZ PHE A 63 -12.926 17.026 -8.248 1.00 5.21 C ATOM 0 H PHE A 63 -8.146 15.893 -3.986 1.00 53.20 H new ATOM 0 HA PHE A 63 -10.567 14.638 -5.073 1.00 11.43 H new ATOM 0 HB2 PHE A 63 -8.834 16.767 -5.849 1.00 71.41 H new ATOM 0 HB3 PHE A 63 -8.600 15.488 -7.025 1.00 71.41 H new ATOM 0 HD1 PHE A 63 -10.578 14.611 -8.303 1.00 34.21 H new ATOM 0 HD2 PHE A 63 -10.848 18.046 -5.800 1.00 21.25 H new ATOM 0 HE1 PHE A 63 -12.661 15.266 -9.430 1.00 71.33 H new ATOM 0 HE2 PHE A 63 -12.933 18.703 -6.923 1.00 20.40 H new ATOM 0 HZ PHE A 63 -13.841 17.315 -8.744 1.00 5.21 H new ATOM 975 N ASN A 64 -7.571 13.367 -5.118 1.00 74.35 N ATOM 976 CA ASN A 64 -6.799 12.166 -5.419 1.00 11.25 C ATOM 977 C ASN A 64 -7.590 10.909 -5.068 1.00 44.31 C ATOM 978 O ASN A 64 -7.746 10.010 -5.895 1.00 2.51 O ATOM 979 CB ASN A 64 -5.475 12.181 -4.651 1.00 54.13 C ATOM 980 CG ASN A 64 -4.322 12.685 -5.497 1.00 63.51 C ATOM 981 OD1 ASN A 64 -4.136 12.250 -6.634 1.00 70.32 O ATOM 982 ND2 ASN A 64 -3.541 13.605 -4.945 1.00 33.32 N ATOM 0 H ASN A 64 -7.082 14.049 -4.539 1.00 74.35 H new ATOM 0 HA ASN A 64 -6.591 12.155 -6.489 1.00 11.25 H new ATOM 0 HB2 ASN A 64 -5.577 12.812 -3.768 1.00 54.13 H new ATOM 0 HB3 ASN A 64 -5.251 11.174 -4.299 1.00 54.13 H new ATOM 0 HD21 ASN A 64 -2.749 13.981 -5.466 1.00 33.32 H new ATOM 0 HD22 ASN A 64 -3.733 13.936 -4.000 1.00 33.32 H new ATOM 989 N LYS A 65 -8.086 10.853 -3.838 1.00 3.31 N ATOM 990 CA LYS A 65 -8.863 9.708 -3.376 1.00 65.12 C ATOM 991 C LYS A 65 -10.067 9.468 -4.281 1.00 32.44 C ATOM 992 O LYS A 65 -10.392 8.327 -4.609 1.00 35.23 O ATOM 993 CB LYS A 65 -9.328 9.929 -1.936 1.00 33.33 C ATOM 994 CG LYS A 65 -10.118 11.211 -1.742 1.00 1.45 C ATOM 995 CD LYS A 65 -11.614 10.945 -1.703 1.00 31.11 C ATOM 996 CE LYS A 65 -12.114 10.782 -0.275 1.00 52.11 C ATOM 997 NZ LYS A 65 -13.447 10.119 -0.227 1.00 52.14 N ATOM 0 H LYS A 65 -7.964 11.588 -3.141 1.00 3.31 H new ATOM 0 HA LYS A 65 -8.223 8.827 -3.412 1.00 65.12 H new ATOM 0 HB2 LYS A 65 -9.943 9.083 -1.628 1.00 33.33 H new ATOM 0 HB3 LYS A 65 -8.457 9.946 -1.280 1.00 33.33 H new ATOM 0 HG2 LYS A 65 -9.809 11.693 -0.814 1.00 1.45 H new ATOM 0 HG3 LYS A 65 -9.892 11.905 -2.552 1.00 1.45 H new ATOM 0 HD2 LYS A 65 -12.144 11.768 -2.183 1.00 31.11 H new ATOM 0 HD3 LYS A 65 -11.840 10.044 -2.274 1.00 31.11 H new ATOM 0 HE2 LYS A 65 -11.395 10.195 0.297 1.00 52.11 H new ATOM 0 HE3 LYS A 65 -12.177 11.760 0.202 1.00 52.11 H new ATOM 0 HZ1 LYS A 65 -13.753 10.026 0.763 1.00 52.14 H new ATOM 0 HZ2 LYS A 65 -14.139 10.692 -0.751 1.00 52.14 H new ATOM 0 HZ3 LYS A 65 -13.381 9.175 -0.659 1.00 52.14 H new ATOM 1011 N LYS A 66 -10.726 10.550 -4.681 1.00 43.51 N ATOM 1012 CA LYS A 66 -11.893 10.458 -5.550 1.00 14.23 C ATOM 1013 C LYS A 66 -11.543 9.758 -6.858 1.00 74.14 C ATOM 1014 O LYS A 66 -12.190 8.783 -7.244 1.00 4.33 O ATOM 1015 CB LYS A 66 -12.450 11.854 -5.840 1.00 21.24 C ATOM 1016 CG LYS A 66 -13.908 11.851 -6.266 1.00 60.42 C ATOM 1017 CD LYS A 66 -14.839 11.943 -5.070 1.00 55.51 C ATOM 1018 CE LYS A 66 -16.139 11.191 -5.316 1.00 24.34 C ATOM 1019 NZ LYS A 66 -16.890 11.745 -6.475 1.00 54.24 N ATOM 0 H LYS A 66 -10.471 11.502 -4.417 1.00 43.51 H new ATOM 0 HA LYS A 66 -12.653 9.870 -5.035 1.00 14.23 H new ATOM 0 HB2 LYS A 66 -12.342 12.471 -4.948 1.00 21.24 H new ATOM 0 HB3 LYS A 66 -11.852 12.319 -6.624 1.00 21.24 H new ATOM 0 HG2 LYS A 66 -14.093 12.689 -6.938 1.00 60.42 H new ATOM 0 HG3 LYS A 66 -14.122 10.941 -6.826 1.00 60.42 H new ATOM 0 HD2 LYS A 66 -14.343 11.535 -4.189 1.00 55.51 H new ATOM 0 HD3 LYS A 66 -15.057 12.989 -4.857 1.00 55.51 H new ATOM 0 HE2 LYS A 66 -15.921 10.138 -5.495 1.00 24.34 H new ATOM 0 HE3 LYS A 66 -16.762 11.241 -4.423 1.00 24.34 H new ATOM 0 HZ1 LYS A 66 -17.807 11.262 -6.557 1.00 54.24 H new ATOM 0 HZ2 LYS A 66 -17.047 12.763 -6.332 1.00 54.24 H new ATOM 0 HZ3 LYS A 66 -16.342 11.598 -7.346 1.00 54.24 H new ATOM 1033 N ARG A 67 -10.517 10.260 -7.537 1.00 65.12 N ATOM 1034 CA ARG A 67 -10.082 9.682 -8.803 1.00 31.43 C ATOM 1035 C ARG A 67 -9.582 8.254 -8.605 1.00 63.42 C ATOM 1036 O ARG A 67 -9.995 7.335 -9.314 1.00 30.32 O ATOM 1037 CB ARG A 67 -8.979 10.538 -9.428 1.00 4.15 C ATOM 1038 CG ARG A 67 -9.083 10.659 -10.938 1.00 42.31 C ATOM 1039 CD ARG A 67 -9.818 11.927 -11.346 1.00 72.40 C ATOM 1040 NE ARG A 67 -9.486 12.338 -12.707 1.00 40.33 N ATOM 1041 CZ ARG A 67 -8.298 12.816 -13.061 1.00 73.34 C ATOM 1042 NH1 ARG A 67 -7.334 12.940 -12.159 1.00 62.45 N ATOM 1043 NH2 ARG A 67 -8.072 13.170 -14.320 1.00 73.23 N ATOM 0 H ARG A 67 -9.971 11.066 -7.232 1.00 65.12 H new ATOM 0 HA ARG A 67 -10.939 9.659 -9.476 1.00 31.43 H new ATOM 0 HB2 ARG A 67 -9.012 11.535 -8.989 1.00 4.15 H new ATOM 0 HB3 ARG A 67 -8.010 10.110 -9.172 1.00 4.15 H new ATOM 0 HG2 ARG A 67 -8.084 10.660 -11.374 1.00 42.31 H new ATOM 0 HG3 ARG A 67 -9.605 9.790 -11.339 1.00 42.31 H new ATOM 0 HD2 ARG A 67 -10.893 11.764 -11.269 1.00 72.40 H new ATOM 0 HD3 ARG A 67 -9.567 12.730 -10.653 1.00 72.40 H new ATOM 0 HE ARG A 67 -10.205 12.254 -13.425 1.00 40.33 H new ATOM 0 HH11 ARG A 67 -7.504 12.668 -11.191 1.00 62.45 H new ATOM 0 HH12 ARG A 67 -6.423 13.307 -12.434 1.00 62.45 H new ATOM 0 HH21 ARG A 67 -8.811 13.075 -15.017 1.00 73.23 H new ATOM 0 HH22 ARG A 67 -7.160 13.537 -14.591 1.00 73.23 H new ATOM 1057 N LEU A 68 -8.690 8.074 -7.637 1.00 63.32 N ATOM 1058 CA LEU A 68 -8.132 6.758 -7.345 1.00 30.32 C ATOM 1059 C LEU A 68 -9.239 5.726 -7.163 1.00 34.43 C ATOM 1060 O LEU A 68 -9.125 4.592 -7.626 1.00 35.31 O ATOM 1061 CB LEU A 68 -7.263 6.818 -6.088 1.00 45.31 C ATOM 1062 CG LEU A 68 -5.992 5.967 -6.109 1.00 1.52 C ATOM 1063 CD1 LEU A 68 -5.089 6.387 -7.258 1.00 65.35 C ATOM 1064 CD2 LEU A 68 -5.254 6.077 -4.783 1.00 12.52 C ATOM 0 H LEU A 68 -8.338 8.823 -7.041 1.00 63.32 H new ATOM 0 HA LEU A 68 -7.515 6.456 -8.191 1.00 30.32 H new ATOM 0 HB2 LEU A 68 -6.978 7.856 -5.917 1.00 45.31 H new ATOM 0 HB3 LEU A 68 -7.869 6.509 -5.236 1.00 45.31 H new ATOM 0 HG LEU A 68 -6.277 4.926 -6.258 1.00 1.52 H new ATOM 0 HD11 LEU A 68 -4.190 5.771 -7.258 1.00 65.35 H new ATOM 0 HD12 LEU A 68 -5.618 6.257 -8.202 1.00 65.35 H new ATOM 0 HD13 LEU A 68 -4.812 7.434 -7.139 1.00 65.35 H new ATOM 0 HD21 LEU A 68 -4.353 5.465 -4.816 1.00 12.52 H new ATOM 0 HD22 LEU A 68 -4.980 7.117 -4.604 1.00 12.52 H new ATOM 0 HD23 LEU A 68 -5.900 5.728 -3.977 1.00 12.52 H new ATOM 1076 N GLU A 69 -10.311 6.127 -6.486 1.00 3.43 N ATOM 1077 CA GLU A 69 -11.439 5.236 -6.244 1.00 10.24 C ATOM 1078 C GLU A 69 -12.233 5.003 -7.525 1.00 52.35 C ATOM 1079 O GLU A 69 -12.649 3.882 -7.815 1.00 31.45 O ATOM 1080 CB GLU A 69 -12.354 5.818 -5.164 1.00 23.24 C ATOM 1081 CG GLU A 69 -11.711 5.877 -3.788 1.00 2.22 C ATOM 1082 CD GLU A 69 -12.307 4.873 -2.821 1.00 55.53 C ATOM 1083 OE1 GLU A 69 -13.551 4.796 -2.740 1.00 61.44 O ATOM 1084 OE2 GLU A 69 -11.531 4.167 -2.145 1.00 62.41 O ATOM 0 H GLU A 69 -10.421 7.063 -6.096 1.00 3.43 H new ATOM 0 HA GLU A 69 -11.046 4.279 -5.901 1.00 10.24 H new ATOM 0 HB2 GLU A 69 -12.655 6.823 -5.458 1.00 23.24 H new ATOM 0 HB3 GLU A 69 -13.262 5.217 -5.106 1.00 23.24 H new ATOM 0 HG2 GLU A 69 -10.641 5.693 -3.883 1.00 2.22 H new ATOM 0 HG3 GLU A 69 -11.827 6.881 -3.380 1.00 2.22 H new ATOM 1091 N GLU A 70 -12.439 6.071 -8.291 1.00 25.22 N ATOM 1092 CA GLU A 70 -13.183 5.982 -9.541 1.00 54.32 C ATOM 1093 C GLU A 70 -12.398 5.197 -10.588 1.00 21.12 C ATOM 1094 O GLU A 70 -12.960 4.731 -11.579 1.00 20.00 O ATOM 1095 CB GLU A 70 -13.502 7.382 -10.071 1.00 14.23 C ATOM 1096 CG GLU A 70 -14.623 8.077 -9.317 1.00 42.32 C ATOM 1097 CD GLU A 70 -15.998 7.677 -9.817 1.00 72.02 C ATOM 1098 OE1 GLU A 70 -16.376 6.500 -9.639 1.00 1.45 O ATOM 1099 OE2 GLU A 70 -16.696 8.543 -10.387 1.00 71.44 O ATOM 0 H GLU A 70 -12.101 7.007 -8.067 1.00 25.22 H new ATOM 0 HA GLU A 70 -14.116 5.455 -9.341 1.00 54.32 H new ATOM 0 HB2 GLU A 70 -12.603 7.996 -10.016 1.00 14.23 H new ATOM 0 HB3 GLU A 70 -13.774 7.309 -11.124 1.00 14.23 H new ATOM 0 HG2 GLU A 70 -14.543 7.840 -8.256 1.00 42.32 H new ATOM 0 HG3 GLU A 70 -14.506 9.156 -9.413 1.00 42.32 H new ATOM 1106 N ILE A 71 -11.097 5.056 -10.358 1.00 61.55 N ATOM 1107 CA ILE A 71 -10.234 4.327 -11.281 1.00 54.01 C ATOM 1108 C ILE A 71 -10.012 2.894 -10.809 1.00 1.13 C ATOM 1109 O ILE A 71 -9.965 1.963 -11.614 1.00 14.30 O ATOM 1110 CB ILE A 71 -8.869 5.020 -11.442 1.00 1.33 C ATOM 1111 CG1 ILE A 71 -9.055 6.444 -11.974 1.00 23.35 C ATOM 1112 CG2 ILE A 71 -7.973 4.216 -12.370 1.00 64.25 C ATOM 1113 CD1 ILE A 71 -7.918 7.375 -11.616 1.00 41.23 C ATOM 0 H ILE A 71 -10.617 5.436 -9.542 1.00 61.55 H new ATOM 0 HA ILE A 71 -10.742 4.315 -12.246 1.00 54.01 H new ATOM 0 HB ILE A 71 -8.389 5.076 -10.465 1.00 1.33 H new ATOM 0 HG12 ILE A 71 -9.157 6.408 -13.059 1.00 23.35 H new ATOM 0 HG13 ILE A 71 -9.986 6.852 -11.580 1.00 23.35 H new ATOM 0 HG21 ILE A 71 -7.012 4.719 -12.474 1.00 64.25 H new ATOM 0 HG22 ILE A 71 -7.819 3.220 -11.954 1.00 64.25 H new ATOM 0 HG23 ILE A 71 -8.445 4.131 -13.349 1.00 64.25 H new ATOM 0 HD11 ILE A 71 -8.116 8.366 -12.025 1.00 41.23 H new ATOM 0 HD12 ILE A 71 -7.829 7.441 -10.532 1.00 41.23 H new ATOM 0 HD13 ILE A 71 -6.987 6.990 -12.033 1.00 41.23 H new ATOM 1125 N THR A 72 -9.876 2.723 -9.497 1.00 21.21 N ATOM 1126 CA THR A 72 -9.658 1.404 -8.917 1.00 14.21 C ATOM 1127 C THR A 72 -10.917 0.548 -9.011 1.00 63.32 C ATOM 1128 O THR A 72 -10.844 -0.655 -9.263 1.00 32.13 O ATOM 1129 CB THR A 72 -9.228 1.503 -7.442 1.00 42.40 C ATOM 1130 OG1 THR A 72 -10.121 2.364 -6.728 1.00 1.55 O ATOM 1131 CG2 THR A 72 -7.806 2.031 -7.328 1.00 21.12 C ATOM 0 H THR A 72 -9.913 3.482 -8.817 1.00 21.21 H new ATOM 0 HA THR A 72 -8.858 0.935 -9.490 1.00 14.21 H new ATOM 0 HB THR A 72 -9.264 0.504 -7.008 1.00 42.40 H new ATOM 0 HG1 THR A 72 -9.705 3.244 -6.612 1.00 1.55 H new ATOM 0 HG21 THR A 72 -7.524 2.092 -6.277 1.00 21.12 H new ATOM 0 HG22 THR A 72 -7.125 1.357 -7.848 1.00 21.12 H new ATOM 0 HG23 THR A 72 -7.749 3.022 -7.778 1.00 21.12 H new ATOM 1139 N LYS A 73 -12.070 1.175 -8.807 1.00 5.32 N ATOM 1140 CA LYS A 73 -13.346 0.472 -8.870 1.00 42.43 C ATOM 1141 C LYS A 73 -13.470 -0.313 -10.172 1.00 64.34 C ATOM 1142 O LYS A 73 -13.648 -1.531 -10.176 1.00 71.33 O ATOM 1143 CB LYS A 73 -14.504 1.464 -8.748 1.00 13.15 C ATOM 1144 CG LYS A 73 -15.773 1.005 -9.446 1.00 11.44 C ATOM 1145 CD LYS A 73 -16.251 -0.334 -8.911 1.00 1.13 C ATOM 1146 CE LYS A 73 -17.760 -0.353 -8.722 1.00 61.10 C ATOM 1147 NZ LYS A 73 -18.166 0.275 -7.434 1.00 54.55 N ATOM 0 H LYS A 73 -12.147 2.170 -8.596 1.00 5.32 H new ATOM 0 HA LYS A 73 -13.388 -0.230 -8.037 1.00 42.43 H new ATOM 0 HB2 LYS A 73 -14.719 1.630 -7.693 1.00 13.15 H new ATOM 0 HB3 LYS A 73 -14.196 2.423 -9.165 1.00 13.15 H new ATOM 0 HG2 LYS A 73 -16.555 1.752 -9.310 1.00 11.44 H new ATOM 0 HG3 LYS A 73 -15.591 0.926 -10.518 1.00 11.44 H new ATOM 0 HD2 LYS A 73 -15.960 -1.127 -9.600 1.00 1.13 H new ATOM 0 HD3 LYS A 73 -15.762 -0.542 -7.960 1.00 1.13 H new ATOM 0 HE2 LYS A 73 -18.236 0.174 -9.549 1.00 61.10 H new ATOM 0 HE3 LYS A 73 -18.117 -1.382 -8.752 1.00 61.10 H new ATOM 0 HZ1 LYS A 73 -19.201 0.242 -7.343 1.00 54.55 H new ATOM 0 HZ2 LYS A 73 -17.732 -0.243 -6.643 1.00 54.55 H new ATOM 0 HZ3 LYS A 73 -17.848 1.265 -7.415 1.00 54.55 H new ATOM 1161 N PRO A 74 -13.372 0.399 -11.305 1.00 11.03 N ATOM 1162 CA PRO A 74 -13.469 -0.212 -12.634 1.00 60.23 C ATOM 1163 C PRO A 74 -12.260 -1.083 -12.961 1.00 74.24 C ATOM 1164 O PRO A 74 -12.394 -2.146 -13.568 1.00 22.14 O ATOM 1165 CB PRO A 74 -13.529 0.994 -13.575 1.00 72.55 C ATOM 1166 CG PRO A 74 -12.852 2.091 -12.829 1.00 14.22 C ATOM 1167 CD PRO A 74 -13.159 1.854 -11.376 1.00 1.31 C ATOM 0 HA PRO A 74 -14.329 -0.877 -12.715 1.00 60.23 H new ATOM 0 HB2 PRO A 74 -13.023 0.786 -14.518 1.00 72.55 H new ATOM 0 HB3 PRO A 74 -14.559 1.257 -13.817 1.00 72.55 H new ATOM 0 HG2 PRO A 74 -11.777 2.079 -13.008 1.00 14.22 H new ATOM 0 HG3 PRO A 74 -13.218 3.066 -13.151 1.00 14.22 H new ATOM 0 HD2 PRO A 74 -12.337 2.171 -10.735 1.00 1.31 H new ATOM 0 HD3 PRO A 74 -14.043 2.406 -11.057 1.00 1.31 H new ATOM 1175 N LYS A 75 -11.081 -0.627 -12.556 1.00 2.53 N ATOM 1176 CA LYS A 75 -9.848 -1.364 -12.803 1.00 50.32 C ATOM 1177 C LYS A 75 -9.852 -2.697 -12.061 1.00 13.32 C ATOM 1178 O LYS A 75 -9.161 -3.637 -12.450 1.00 73.44 O ATOM 1179 CB LYS A 75 -8.637 -0.533 -12.373 1.00 63.15 C ATOM 1180 CG LYS A 75 -8.223 0.511 -13.395 1.00 45.33 C ATOM 1181 CD LYS A 75 -7.422 -0.105 -14.530 1.00 44.13 C ATOM 1182 CE LYS A 75 -7.509 0.736 -15.794 1.00 65.42 C ATOM 1183 NZ LYS A 75 -7.209 -0.065 -17.014 1.00 43.10 N ATOM 0 H LYS A 75 -10.953 0.252 -12.054 1.00 2.53 H new ATOM 0 HA LYS A 75 -9.783 -1.564 -13.873 1.00 50.32 H new ATOM 0 HB2 LYS A 75 -8.864 -0.036 -11.430 1.00 63.15 H new ATOM 0 HB3 LYS A 75 -7.796 -1.201 -12.187 1.00 63.15 H new ATOM 0 HG2 LYS A 75 -9.111 0.999 -13.798 1.00 45.33 H new ATOM 0 HG3 LYS A 75 -7.629 1.283 -12.907 1.00 45.33 H new ATOM 0 HD2 LYS A 75 -6.379 -0.204 -14.229 1.00 44.13 H new ATOM 0 HD3 LYS A 75 -7.792 -1.110 -14.734 1.00 44.13 H new ATOM 0 HE2 LYS A 75 -8.508 1.165 -15.877 1.00 65.42 H new ATOM 0 HE3 LYS A 75 -6.809 1.569 -15.725 1.00 65.42 H new ATOM 0 HZ1 LYS A 75 -7.279 0.543 -17.855 1.00 43.10 H new ATOM 0 HZ2 LYS A 75 -6.247 -0.453 -16.946 1.00 43.10 H new ATOM 0 HZ3 LYS A 75 -7.892 -0.845 -17.094 1.00 43.10 H new ATOM 1197 N GLY A 76 -10.637 -2.770 -10.990 1.00 72.54 N ATOM 1198 CA GLY A 76 -10.718 -3.992 -10.212 1.00 5.13 C ATOM 1199 C GLY A 76 -9.368 -4.431 -9.680 1.00 12.44 C ATOM 1200 O GLY A 76 -8.917 -5.543 -9.954 1.00 74.32 O ATOM 0 H GLY A 76 -11.218 -2.005 -10.648 1.00 72.54 H new ATOM 0 HA2 GLY A 76 -11.403 -3.843 -9.377 1.00 5.13 H new ATOM 0 HA3 GLY A 76 -11.137 -4.786 -10.830 1.00 5.13 H new ATOM 1204 N ILE A 77 -8.722 -3.554 -8.918 1.00 65.32 N ATOM 1205 CA ILE A 77 -7.415 -3.857 -8.347 1.00 74.21 C ATOM 1206 C ILE A 77 -7.427 -3.698 -6.830 1.00 74.45 C ATOM 1207 O ILE A 77 -8.223 -2.947 -6.267 1.00 74.31 O ATOM 1208 CB ILE A 77 -6.318 -2.951 -8.938 1.00 33.44 C ATOM 1209 CG1 ILE A 77 -6.727 -1.481 -8.827 1.00 71.32 C ATOM 1210 CG2 ILE A 77 -6.048 -3.324 -10.388 1.00 71.24 C ATOM 1211 CD1 ILE A 77 -5.752 -0.642 -8.032 1.00 1.43 C ATOM 0 H ILE A 77 -9.082 -2.629 -8.682 1.00 65.32 H new ATOM 0 HA ILE A 77 -7.194 -4.894 -8.600 1.00 74.21 H new ATOM 0 HB ILE A 77 -5.400 -3.097 -8.369 1.00 33.44 H new ATOM 0 HG12 ILE A 77 -6.822 -1.062 -9.829 1.00 71.32 H new ATOM 0 HG13 ILE A 77 -7.711 -1.420 -8.361 1.00 71.32 H new ATOM 0 HG21 ILE A 77 -5.271 -2.675 -10.792 1.00 71.24 H new ATOM 0 HG22 ILE A 77 -5.719 -4.362 -10.441 1.00 71.24 H new ATOM 0 HG23 ILE A 77 -6.961 -3.203 -10.971 1.00 71.24 H new ATOM 0 HD11 ILE A 77 -6.105 0.389 -7.994 1.00 1.43 H new ATOM 0 HD12 ILE A 77 -5.675 -1.036 -7.019 1.00 1.43 H new ATOM 0 HD13 ILE A 77 -4.772 -0.673 -8.509 1.00 1.43 H new ATOM 1223 N PRO A 78 -6.523 -4.421 -6.153 1.00 31.41 N ATOM 1224 CA PRO A 78 -6.408 -4.376 -4.692 1.00 51.33 C ATOM 1225 C PRO A 78 -5.860 -3.042 -4.195 1.00 14.25 C ATOM 1226 O PRO A 78 -4.657 -2.789 -4.267 1.00 33.43 O ATOM 1227 CB PRO A 78 -5.427 -5.507 -4.378 1.00 1.03 C ATOM 1228 CG PRO A 78 -4.618 -5.663 -5.619 1.00 42.13 C ATOM 1229 CD PRO A 78 -5.543 -5.337 -6.760 1.00 70.11 C ATOM 0 HA PRO A 78 -7.376 -4.486 -4.203 1.00 51.33 H new ATOM 0 HB2 PRO A 78 -4.797 -5.259 -3.524 1.00 1.03 H new ATOM 0 HB3 PRO A 78 -5.952 -6.429 -4.130 1.00 1.03 H new ATOM 0 HG2 PRO A 78 -3.758 -4.994 -5.611 1.00 42.13 H new ATOM 0 HG3 PRO A 78 -4.231 -6.678 -5.708 1.00 42.13 H new ATOM 0 HD2 PRO A 78 -5.011 -4.866 -7.587 1.00 70.11 H new ATOM 0 HD3 PRO A 78 -6.022 -6.232 -7.158 1.00 70.11 H new ATOM 1237 N ILE A 79 -6.750 -2.193 -3.691 1.00 61.11 N ATOM 1238 CA ILE A 79 -6.355 -0.886 -3.180 1.00 60.43 C ATOM 1239 C ILE A 79 -6.894 -0.660 -1.772 1.00 41.05 C ATOM 1240 O ILE A 79 -8.085 -0.830 -1.519 1.00 33.23 O ATOM 1241 CB ILE A 79 -6.850 0.248 -4.096 1.00 44.33 C ATOM 1242 CG1 ILE A 79 -6.377 1.604 -3.566 1.00 31.13 C ATOM 1243 CG2 ILE A 79 -8.367 0.217 -4.206 1.00 70.44 C ATOM 1244 CD1 ILE A 79 -4.876 1.784 -3.621 1.00 11.02 C ATOM 0 H ILE A 79 -7.749 -2.387 -3.626 1.00 61.11 H new ATOM 0 HA ILE A 79 -5.265 -0.873 -3.155 1.00 60.43 H new ATOM 0 HB ILE A 79 -6.430 0.100 -5.091 1.00 44.33 H new ATOM 0 HG12 ILE A 79 -6.851 2.397 -4.145 1.00 31.13 H new ATOM 0 HG13 ILE A 79 -6.711 1.719 -2.535 1.00 31.13 H new ATOM 0 HG21 ILE A 79 -8.701 1.025 -4.857 1.00 70.44 H new ATOM 0 HG22 ILE A 79 -8.682 -0.739 -4.624 1.00 70.44 H new ATOM 0 HG23 ILE A 79 -8.806 0.343 -3.216 1.00 70.44 H new ATOM 0 HD11 ILE A 79 -4.613 2.767 -3.230 1.00 11.02 H new ATOM 0 HD12 ILE A 79 -4.395 1.013 -3.019 1.00 11.02 H new ATOM 0 HD13 ILE A 79 -4.537 1.702 -4.654 1.00 11.02 H new ATOM 1256 N GLU A 80 -6.007 -0.274 -0.860 1.00 52.04 N ATOM 1257 CA GLU A 80 -6.395 -0.024 0.523 1.00 12.43 C ATOM 1258 C GLU A 80 -6.229 1.452 0.876 1.00 54.20 C ATOM 1259 O GLU A 80 -5.517 2.188 0.193 1.00 64.44 O ATOM 1260 CB GLU A 80 -5.559 -0.883 1.475 1.00 63.25 C ATOM 1261 CG GLU A 80 -6.327 -2.047 2.076 1.00 34.24 C ATOM 1262 CD GLU A 80 -6.938 -2.950 1.022 1.00 74.54 C ATOM 1263 OE1 GLU A 80 -6.433 -2.955 -0.120 1.00 11.35 O ATOM 1264 OE2 GLU A 80 -7.922 -3.652 1.339 1.00 64.02 O ATOM 0 H GLU A 80 -5.016 -0.128 -1.054 1.00 52.04 H new ATOM 0 HA GLU A 80 -7.446 -0.291 0.632 1.00 12.43 H new ATOM 0 HB2 GLU A 80 -4.693 -1.269 0.937 1.00 63.25 H new ATOM 0 HB3 GLU A 80 -5.180 -0.254 2.280 1.00 63.25 H new ATOM 0 HG2 GLU A 80 -5.657 -2.632 2.706 1.00 34.24 H new ATOM 0 HG3 GLU A 80 -7.117 -1.662 2.721 1.00 34.24 H new ATOM 1271 N ILE A 81 -6.894 1.877 1.945 1.00 71.42 N ATOM 1272 CA ILE A 81 -6.821 3.263 2.388 1.00 24.22 C ATOM 1273 C ILE A 81 -6.369 3.352 3.842 1.00 60.01 C ATOM 1274 O ILE A 81 -7.048 2.861 4.745 1.00 40.20 O ATOM 1275 CB ILE A 81 -8.179 3.974 2.240 1.00 64.01 C ATOM 1276 CG1 ILE A 81 -8.756 3.732 0.844 1.00 0.10 C ATOM 1277 CG2 ILE A 81 -8.028 5.465 2.506 1.00 35.31 C ATOM 1278 CD1 ILE A 81 -7.915 4.318 -0.268 1.00 70.41 C ATOM 0 H ILE A 81 -7.489 1.281 2.520 1.00 71.42 H new ATOM 0 HA ILE A 81 -6.089 3.760 1.751 1.00 24.22 H new ATOM 0 HB ILE A 81 -8.871 3.562 2.975 1.00 64.01 H new ATOM 0 HG12 ILE A 81 -8.859 2.659 0.683 1.00 0.10 H new ATOM 0 HG13 ILE A 81 -9.758 4.159 0.795 1.00 0.10 H new ATOM 0 HG21 ILE A 81 -8.996 5.954 2.398 1.00 35.31 H new ATOM 0 HG22 ILE A 81 -7.656 5.618 3.519 1.00 35.31 H new ATOM 0 HG23 ILE A 81 -7.324 5.892 1.792 1.00 35.31 H new ATOM 0 HD11 ILE A 81 -8.385 4.108 -1.229 1.00 70.41 H new ATOM 0 HD12 ILE A 81 -7.833 5.396 -0.132 1.00 70.41 H new ATOM 0 HD13 ILE A 81 -6.920 3.873 -0.245 1.00 70.41 H new ATOM 1290 N ILE A 82 -5.221 3.982 4.061 1.00 3.31 N ATOM 1291 CA ILE A 82 -4.680 4.139 5.406 1.00 21.01 C ATOM 1292 C ILE A 82 -5.487 5.153 6.210 1.00 63.24 C ATOM 1293 O ILE A 82 -5.717 6.274 5.760 1.00 41.34 O ATOM 1294 CB ILE A 82 -3.206 4.584 5.372 1.00 25.21 C ATOM 1295 CG1 ILE A 82 -2.361 3.569 4.599 1.00 32.22 C ATOM 1296 CG2 ILE A 82 -2.672 4.758 6.786 1.00 4.32 C ATOM 1297 CD1 ILE A 82 -0.948 4.037 4.334 1.00 65.42 C ATOM 0 H ILE A 82 -4.647 4.392 3.325 1.00 3.31 H new ATOM 0 HA ILE A 82 -4.746 3.163 5.887 1.00 21.01 H new ATOM 0 HB ILE A 82 -3.144 5.544 4.860 1.00 25.21 H new ATOM 0 HG12 ILE A 82 -2.327 2.635 5.160 1.00 32.22 H new ATOM 0 HG13 ILE A 82 -2.848 3.352 3.648 1.00 32.22 H new ATOM 0 HG21 ILE A 82 -1.629 5.073 6.745 1.00 4.32 H new ATOM 0 HG22 ILE A 82 -3.259 5.515 7.306 1.00 4.32 H new ATOM 0 HG23 ILE A 82 -2.745 3.811 7.321 1.00 4.32 H new ATOM 0 HD11 ILE A 82 -0.407 3.268 3.783 1.00 65.42 H new ATOM 0 HD12 ILE A 82 -0.973 4.955 3.747 1.00 65.42 H new ATOM 0 HD13 ILE A 82 -0.444 4.226 5.282 1.00 65.42 H new ATOM 1309 N ASN A 83 -5.914 4.750 7.402 1.00 43.15 N ATOM 1310 CA ASN A 83 -6.695 5.625 8.269 1.00 72.52 C ATOM 1311 C ASN A 83 -5.830 6.749 8.829 1.00 33.23 C ATOM 1312 O ASN A 83 -4.616 6.599 8.980 1.00 54.40 O ATOM 1313 CB ASN A 83 -7.312 4.821 9.415 1.00 11.44 C ATOM 1314 CG ASN A 83 -8.727 4.370 9.109 1.00 72.51 C ATOM 1315 OD1 ASN A 83 -9.100 4.202 7.947 1.00 44.11 O ATOM 1316 ND2 ASN A 83 -9.524 4.172 10.153 1.00 70.31 N ATOM 0 H ASN A 83 -5.733 3.824 7.790 1.00 43.15 H new ATOM 0 HA ASN A 83 -7.493 6.068 7.673 1.00 72.52 H new ATOM 0 HB2 ASN A 83 -6.691 3.948 9.618 1.00 11.44 H new ATOM 0 HB3 ASN A 83 -7.315 5.428 10.320 1.00 11.44 H new ATOM 0 HD21 ASN A 83 -10.487 3.869 10.009 1.00 70.31 H new ATOM 0 HD22 ASN A 83 -9.173 4.323 11.099 1.00 70.31 H new ATOM 1323 N THR A 84 -6.462 7.878 9.138 1.00 72.50 N ATOM 1324 CA THR A 84 -5.751 9.028 9.681 1.00 21.43 C ATOM 1325 C THR A 84 -4.902 8.632 10.884 1.00 33.34 C ATOM 1326 O THR A 84 -3.809 9.163 11.086 1.00 33.30 O ATOM 1327 CB THR A 84 -6.726 10.144 10.101 1.00 3.25 C ATOM 1328 OG1 THR A 84 -7.970 9.995 9.407 1.00 64.21 O ATOM 1329 CG2 THR A 84 -6.137 11.516 9.808 1.00 30.52 C ATOM 0 H THR A 84 -7.465 8.019 9.021 1.00 72.50 H new ATOM 0 HA THR A 84 -5.102 9.401 8.889 1.00 21.43 H new ATOM 0 HB THR A 84 -6.897 10.061 11.174 1.00 3.25 H new ATOM 0 HG1 THR A 84 -8.585 10.707 9.681 1.00 64.21 H new ATOM 0 HG21 THR A 84 -6.844 12.288 10.113 1.00 30.52 H new ATOM 0 HG22 THR A 84 -5.206 11.638 10.361 1.00 30.52 H new ATOM 0 HG23 THR A 84 -5.939 11.607 8.740 1.00 30.52 H new ATOM 1337 N ILE A 85 -5.410 7.696 11.679 1.00 72.30 N ATOM 1338 CA ILE A 85 -4.696 7.227 12.860 1.00 11.40 C ATOM 1339 C ILE A 85 -3.464 6.418 12.473 1.00 31.43 C ATOM 1340 O ILE A 85 -2.346 6.739 12.875 1.00 62.32 O ATOM 1341 CB ILE A 85 -5.601 6.365 13.760 1.00 12.31 C ATOM 1342 CG1 ILE A 85 -6.857 7.146 14.154 1.00 72.31 C ATOM 1343 CG2 ILE A 85 -4.841 5.914 14.998 1.00 35.21 C ATOM 1344 CD1 ILE A 85 -8.046 6.869 13.261 1.00 43.13 C ATOM 0 H ILE A 85 -6.313 7.248 11.527 1.00 72.30 H new ATOM 0 HA ILE A 85 -4.386 8.113 13.413 1.00 11.40 H new ATOM 0 HB ILE A 85 -5.906 5.480 13.202 1.00 12.31 H new ATOM 0 HG12 ILE A 85 -7.120 6.900 15.183 1.00 72.31 H new ATOM 0 HG13 ILE A 85 -6.635 8.213 14.129 1.00 72.31 H new ATOM 0 HG21 ILE A 85 -5.494 5.306 15.624 1.00 35.21 H new ATOM 0 HG22 ILE A 85 -3.974 5.325 14.698 1.00 35.21 H new ATOM 0 HG23 ILE A 85 -4.510 6.787 15.560 1.00 35.21 H new ATOM 0 HD11 ILE A 85 -8.900 7.456 13.599 1.00 43.13 H new ATOM 0 HD12 ILE A 85 -7.801 7.142 12.234 1.00 43.13 H new ATOM 0 HD13 ILE A 85 -8.295 5.809 13.305 1.00 43.13 H new ATOM 1356 N ASP A 86 -3.676 5.366 11.689 1.00 1.55 N ATOM 1357 CA ASP A 86 -2.582 4.511 11.245 1.00 72.44 C ATOM 1358 C ASP A 86 -1.495 5.331 10.557 1.00 22.01 C ATOM 1359 O ASP A 86 -0.316 4.979 10.602 1.00 14.14 O ATOM 1360 CB ASP A 86 -3.104 3.433 10.292 1.00 2.54 C ATOM 1361 CG ASP A 86 -2.069 2.361 10.009 1.00 53.14 C ATOM 1362 OD1 ASP A 86 -0.952 2.455 10.558 1.00 44.43 O ATOM 1363 OD2 ASP A 86 -2.378 1.429 9.238 1.00 74.40 O ATOM 0 H ASP A 86 -4.596 5.085 11.348 1.00 1.55 H new ATOM 0 HA ASP A 86 -2.149 4.032 12.123 1.00 72.44 H new ATOM 0 HB2 ASP A 86 -3.993 2.971 10.722 1.00 2.54 H new ATOM 0 HB3 ASP A 86 -3.408 3.897 9.354 1.00 2.54 H new ATOM 1368 N TYR A 87 -1.900 6.426 9.922 1.00 23.23 N ATOM 1369 CA TYR A 87 -0.961 7.294 9.223 1.00 12.41 C ATOM 1370 C TYR A 87 -0.236 8.213 10.201 1.00 23.34 C ATOM 1371 O TYR A 87 0.966 8.445 10.079 1.00 33.32 O ATOM 1372 CB TYR A 87 -1.693 8.129 8.170 1.00 1.24 C ATOM 1373 CG TYR A 87 -0.766 8.889 7.248 1.00 34.23 C ATOM 1374 CD1 TYR A 87 0.339 8.270 6.679 1.00 4.40 C ATOM 1375 CD2 TYR A 87 -0.996 10.226 6.949 1.00 75.43 C ATOM 1376 CE1 TYR A 87 1.189 8.961 5.836 1.00 4.31 C ATOM 1377 CE2 TYR A 87 -0.153 10.924 6.105 1.00 4.05 C ATOM 1378 CZ TYR A 87 0.939 10.287 5.553 1.00 51.31 C ATOM 1379 OH TYR A 87 1.783 10.979 4.715 1.00 74.02 O ATOM 0 H TYR A 87 -2.872 6.733 9.877 1.00 23.23 H new ATOM 0 HA TYR A 87 -0.222 6.663 8.729 1.00 12.41 H new ATOM 0 HB2 TYR A 87 -2.327 7.472 7.574 1.00 1.24 H new ATOM 0 HB3 TYR A 87 -2.352 8.837 8.673 1.00 1.24 H new ATOM 0 HD1 TYR A 87 0.538 7.231 6.899 1.00 4.40 H new ATOM 0 HD2 TYR A 87 -1.848 10.728 7.383 1.00 75.43 H new ATOM 0 HE1 TYR A 87 2.044 8.465 5.401 1.00 4.31 H new ATOM 0 HE2 TYR A 87 -0.348 11.962 5.879 1.00 4.05 H new ATOM 0 HH TYR A 87 1.465 11.901 4.619 1.00 74.02 H new ATOM 1389 N GLY A 88 -0.977 8.732 11.176 1.00 14.43 N ATOM 1390 CA GLY A 88 -0.389 9.619 12.163 1.00 41.00 C ATOM 1391 C GLY A 88 0.580 8.903 13.082 1.00 62.33 C ATOM 1392 O GLY A 88 1.668 9.404 13.364 1.00 3.25 O ATOM 0 H GLY A 88 -1.974 8.554 11.300 1.00 14.43 H new ATOM 0 HA2 GLY A 88 0.131 10.431 11.654 1.00 41.00 H new ATOM 0 HA3 GLY A 88 -1.182 10.072 12.758 1.00 41.00 H new ATOM 1396 N THR A 89 0.184 7.724 13.554 1.00 72.15 N ATOM 1397 CA THR A 89 1.024 6.938 14.449 1.00 74.20 C ATOM 1398 C THR A 89 2.063 6.140 13.670 1.00 44.45 C ATOM 1399 O THR A 89 3.112 5.783 14.203 1.00 63.42 O ATOM 1400 CB THR A 89 0.182 5.968 15.301 1.00 44.13 C ATOM 1401 OG1 THR A 89 1.034 5.226 16.181 1.00 15.44 O ATOM 1402 CG2 THR A 89 -0.600 5.010 14.416 1.00 24.00 C ATOM 0 H THR A 89 -0.713 7.293 13.331 1.00 72.15 H new ATOM 0 HA THR A 89 1.531 7.644 15.107 1.00 74.20 H new ATOM 0 HB THR A 89 -0.526 6.553 15.888 1.00 44.13 H new ATOM 0 HG1 THR A 89 0.493 4.613 16.721 1.00 15.44 H new ATOM 0 HG21 THR A 89 -1.187 4.335 15.040 1.00 24.00 H new ATOM 0 HG22 THR A 89 -1.268 5.577 13.767 1.00 24.00 H new ATOM 0 HG23 THR A 89 0.093 4.430 13.806 1.00 24.00 H new ATOM 1410 N MET A 90 1.765 5.866 12.403 1.00 13.43 N ATOM 1411 CA MET A 90 2.675 5.112 11.550 1.00 22.21 C ATOM 1412 C MET A 90 2.874 3.697 12.083 1.00 30.22 C ATOM 1413 O MET A 90 3.918 3.378 12.649 1.00 45.44 O ATOM 1414 CB MET A 90 4.025 5.827 11.451 1.00 12.14 C ATOM 1415 CG MET A 90 3.904 7.323 11.213 1.00 12.21 C ATOM 1416 SD MET A 90 4.467 8.298 12.622 1.00 31.54 S ATOM 1417 CE MET A 90 6.164 7.743 12.760 1.00 23.45 C ATOM 0 H MET A 90 0.900 6.155 11.946 1.00 13.43 H new ATOM 0 HA MET A 90 2.232 5.047 10.556 1.00 22.21 H new ATOM 0 HB2 MET A 90 4.585 5.658 12.371 1.00 12.14 H new ATOM 0 HB3 MET A 90 4.603 5.384 10.640 1.00 12.14 H new ATOM 0 HG2 MET A 90 4.486 7.595 10.332 1.00 12.21 H new ATOM 0 HG3 MET A 90 2.864 7.570 10.997 1.00 12.21 H new ATOM 0 HE1 MET A 90 6.346 7.376 13.770 1.00 23.45 H new ATOM 0 HE2 MET A 90 6.344 6.941 12.044 1.00 23.45 H new ATOM 0 HE3 MET A 90 6.837 8.574 12.550 1.00 23.45 H new ATOM 1427 N ASN A 91 1.864 2.852 11.900 1.00 44.43 N ATOM 1428 CA ASN A 91 1.929 1.471 12.364 1.00 54.24 C ATOM 1429 C ASN A 91 2.358 0.539 11.235 1.00 72.43 C ATOM 1430 O ASN A 91 1.527 0.038 10.479 1.00 72.34 O ATOM 1431 CB ASN A 91 0.570 1.032 12.913 1.00 2.44 C ATOM 1432 CG ASN A 91 0.701 0.070 14.078 1.00 61.11 C ATOM 1433 OD1 ASN A 91 1.481 -0.988 13.887 1.00 31.43 O flip ATOM 1434 ND2 ASN A 91 0.109 0.276 15.137 1.00 41.35 N flip ATOM 0 H ASN A 91 0.991 3.100 11.434 1.00 44.43 H new ATOM 0 HA ASN A 91 2.671 1.415 13.160 1.00 54.24 H new ATOM 0 HB2 ASN A 91 0.009 1.910 13.232 1.00 2.44 H new ATOM 0 HB3 ASN A 91 -0.005 0.558 12.117 1.00 2.44 H new ATOM 0 HD21 ASN A 91 -0.480 1.102 15.240 1.00 41.35 H new ATOM 0 HD22 ASN A 91 0.207 -0.380 15.912 1.00 41.35 H new ATOM 1441 N GLY A 92 3.664 0.308 11.129 1.00 14.42 N ATOM 1442 CA GLY A 92 4.182 -0.564 10.092 1.00 34.44 C ATOM 1443 C GLY A 92 3.492 -1.915 10.073 1.00 41.40 C ATOM 1444 O GLY A 92 3.100 -2.402 9.013 1.00 12.35 O ATOM 0 H GLY A 92 4.372 0.710 11.744 1.00 14.42 H new ATOM 0 HA2 GLY A 92 4.059 -0.083 9.122 1.00 34.44 H new ATOM 0 HA3 GLY A 92 5.252 -0.708 10.243 1.00 34.44 H new ATOM 1448 N GLU A 93 3.346 -2.520 11.247 1.00 60.14 N ATOM 1449 CA GLU A 93 2.701 -3.823 11.359 1.00 41.32 C ATOM 1450 C GLU A 93 1.324 -3.806 10.703 1.00 61.35 C ATOM 1451 O GLU A 93 0.997 -4.678 9.896 1.00 44.10 O ATOM 1452 CB GLU A 93 2.574 -4.229 12.829 1.00 54.20 C ATOM 1453 CG GLU A 93 2.567 -5.733 13.046 1.00 15.45 C ATOM 1454 CD GLU A 93 3.008 -6.122 14.443 1.00 22.34 C ATOM 1455 OE1 GLU A 93 3.757 -5.343 15.068 1.00 5.42 O ATOM 1456 OE2 GLU A 93 2.605 -7.206 14.912 1.00 75.40 O ATOM 0 H GLU A 93 3.665 -2.129 12.133 1.00 60.14 H new ATOM 0 HA GLU A 93 3.322 -4.554 10.841 1.00 41.32 H new ATOM 0 HB2 GLU A 93 3.400 -3.793 13.390 1.00 54.20 H new ATOM 0 HB3 GLU A 93 1.655 -3.807 13.236 1.00 54.20 H new ATOM 0 HG2 GLU A 93 1.563 -6.118 12.865 1.00 15.45 H new ATOM 0 HG3 GLU A 93 3.225 -6.205 12.317 1.00 15.45 H new ATOM 1463 N LYS A 94 0.519 -2.810 11.055 1.00 32.02 N ATOM 1464 CA LYS A 94 -0.823 -2.678 10.502 1.00 13.14 C ATOM 1465 C LYS A 94 -0.772 -2.484 8.990 1.00 43.31 C ATOM 1466 O LYS A 94 -1.598 -3.025 8.256 1.00 61.13 O ATOM 1467 CB LYS A 94 -1.553 -1.501 11.154 1.00 62.30 C ATOM 1468 CG LYS A 94 -1.592 -1.575 12.671 1.00 62.04 C ATOM 1469 CD LYS A 94 -2.650 -2.550 13.155 1.00 20.45 C ATOM 1470 CE LYS A 94 -3.330 -2.052 14.422 1.00 64.42 C ATOM 1471 NZ LYS A 94 -4.769 -2.433 14.465 1.00 70.44 N ATOM 0 H LYS A 94 0.773 -2.081 11.722 1.00 32.02 H new ATOM 0 HA LYS A 94 -1.368 -3.598 10.714 1.00 13.14 H new ATOM 0 HB2 LYS A 94 -1.066 -0.572 10.856 1.00 62.30 H new ATOM 0 HB3 LYS A 94 -2.574 -1.462 10.774 1.00 62.30 H new ATOM 0 HG2 LYS A 94 -0.615 -1.881 13.046 1.00 62.04 H new ATOM 0 HG3 LYS A 94 -1.795 -0.585 13.079 1.00 62.04 H new ATOM 0 HD2 LYS A 94 -3.396 -2.696 12.374 1.00 20.45 H new ATOM 0 HD3 LYS A 94 -2.192 -3.521 13.344 1.00 20.45 H new ATOM 0 HE2 LYS A 94 -2.819 -2.462 15.293 1.00 64.42 H new ATOM 0 HE3 LYS A 94 -3.239 -0.967 14.481 1.00 64.42 H new ATOM 0 HZ1 LYS A 94 -5.197 -2.076 15.343 1.00 70.44 H new ATOM 0 HZ2 LYS A 94 -5.262 -2.021 13.647 1.00 70.44 H new ATOM 0 HZ3 LYS A 94 -4.855 -3.469 14.435 1.00 70.44 H new ATOM 1485 N VAL A 95 0.205 -1.707 8.531 1.00 75.01 N ATOM 1486 CA VAL A 95 0.365 -1.443 7.106 1.00 3.32 C ATOM 1487 C VAL A 95 0.625 -2.732 6.335 1.00 72.14 C ATOM 1488 O VAL A 95 -0.209 -3.173 5.543 1.00 74.35 O ATOM 1489 CB VAL A 95 1.521 -0.460 6.845 1.00 42.42 C ATOM 1490 CG1 VAL A 95 1.610 -0.121 5.365 1.00 40.35 C ATOM 1491 CG2 VAL A 95 1.347 0.801 7.679 1.00 64.02 C ATOM 0 H VAL A 95 0.897 -1.250 9.125 1.00 75.01 H new ATOM 0 HA VAL A 95 -0.567 -0.997 6.759 1.00 3.32 H new ATOM 0 HB VAL A 95 2.455 -0.938 7.141 1.00 42.42 H new ATOM 0 HG11 VAL A 95 2.433 0.575 5.200 1.00 40.35 H new ATOM 0 HG12 VAL A 95 1.785 -1.032 4.793 1.00 40.35 H new ATOM 0 HG13 VAL A 95 0.676 0.338 5.040 1.00 40.35 H new ATOM 0 HG21 VAL A 95 2.173 1.484 7.482 1.00 64.02 H new ATOM 0 HG22 VAL A 95 0.406 1.284 7.416 1.00 64.02 H new ATOM 0 HG23 VAL A 95 1.337 0.539 8.737 1.00 64.02 H new ATOM 1501 N LEU A 96 1.786 -3.332 6.569 1.00 20.33 N ATOM 1502 CA LEU A 96 2.157 -4.572 5.897 1.00 71.01 C ATOM 1503 C LEU A 96 1.057 -5.619 6.040 1.00 34.34 C ATOM 1504 O LEU A 96 0.737 -6.332 5.089 1.00 22.14 O ATOM 1505 CB LEU A 96 3.469 -5.114 6.467 1.00 14.24 C ATOM 1506 CG LEU A 96 3.556 -5.191 7.992 1.00 32.42 C ATOM 1507 CD1 LEU A 96 3.379 -6.627 8.464 1.00 62.25 C ATOM 1508 CD2 LEU A 96 4.881 -4.628 8.480 1.00 3.54 C ATOM 0 H LEU A 96 2.488 -2.980 7.220 1.00 20.33 H new ATOM 0 HA LEU A 96 2.292 -4.354 4.837 1.00 71.01 H new ATOM 0 HB2 LEU A 96 3.633 -6.113 6.063 1.00 14.24 H new ATOM 0 HB3 LEU A 96 4.285 -4.487 6.107 1.00 14.24 H new ATOM 0 HG LEU A 96 2.751 -4.589 8.414 1.00 32.42 H new ATOM 0 HD11 LEU A 96 3.444 -6.663 9.551 1.00 62.25 H new ATOM 0 HD12 LEU A 96 2.404 -6.997 8.146 1.00 62.25 H new ATOM 0 HD13 LEU A 96 4.162 -7.251 8.033 1.00 62.25 H new ATOM 0 HD21 LEU A 96 4.925 -4.691 9.567 1.00 3.54 H new ATOM 0 HD22 LEU A 96 5.701 -5.203 8.050 1.00 3.54 H new ATOM 0 HD23 LEU A 96 4.969 -3.586 8.173 1.00 3.54 H new ATOM 1520 N GLN A 97 0.480 -5.704 7.235 1.00 15.00 N ATOM 1521 CA GLN A 97 -0.586 -6.663 7.502 1.00 75.11 C ATOM 1522 C GLN A 97 -1.760 -6.450 6.551 1.00 22.32 C ATOM 1523 O GLN A 97 -2.230 -7.391 5.908 1.00 0.53 O ATOM 1524 CB GLN A 97 -1.060 -6.541 8.951 1.00 2.34 C ATOM 1525 CG GLN A 97 -0.202 -7.316 9.938 1.00 74.00 C ATOM 1526 CD GLN A 97 -0.500 -8.803 9.930 1.00 55.45 C ATOM 1527 OE1 GLN A 97 -1.344 -9.283 10.687 1.00 11.42 O ATOM 1528 NE2 GLN A 97 0.191 -9.541 9.068 1.00 3.44 N ATOM 0 H GLN A 97 0.733 -5.121 8.033 1.00 15.00 H new ATOM 0 HA GLN A 97 -0.188 -7.665 7.341 1.00 75.11 H new ATOM 0 HB2 GLN A 97 -1.066 -5.489 9.235 1.00 2.34 H new ATOM 0 HB3 GLN A 97 -2.088 -6.896 9.019 1.00 2.34 H new ATOM 0 HG2 GLN A 97 0.850 -7.159 9.700 1.00 74.00 H new ATOM 0 HG3 GLN A 97 -0.364 -6.922 10.941 1.00 74.00 H new ATOM 0 HE21 GLN A 97 0.881 -9.102 8.459 1.00 3.44 H new ATOM 0 HE22 GLN A 97 0.031 -10.547 9.015 1.00 3.44 H new ATOM 1537 N LEU A 98 -2.230 -5.211 6.467 1.00 23.44 N ATOM 1538 CA LEU A 98 -3.350 -4.875 5.596 1.00 40.31 C ATOM 1539 C LEU A 98 -3.035 -5.225 4.145 1.00 63.21 C ATOM 1540 O LEU A 98 -3.843 -5.847 3.456 1.00 23.44 O ATOM 1541 CB LEU A 98 -3.684 -3.386 5.712 1.00 64.10 C ATOM 1542 CG LEU A 98 -5.125 -3.049 6.093 1.00 31.33 C ATOM 1543 CD1 LEU A 98 -5.330 -1.543 6.131 1.00 63.45 C ATOM 1544 CD2 LEU A 98 -6.100 -3.698 5.121 1.00 61.11 C ATOM 0 H LEU A 98 -1.853 -4.422 6.992 1.00 23.44 H new ATOM 0 HA LEU A 98 -4.213 -5.460 5.913 1.00 40.31 H new ATOM 0 HB2 LEU A 98 -3.020 -2.942 6.454 1.00 64.10 H new ATOM 0 HB3 LEU A 98 -3.461 -2.909 4.758 1.00 64.10 H new ATOM 0 HG LEU A 98 -5.319 -3.446 7.090 1.00 31.33 H new ATOM 0 HD11 LEU A 98 -6.362 -1.323 6.404 1.00 63.45 H new ATOM 0 HD12 LEU A 98 -4.658 -1.103 6.868 1.00 63.45 H new ATOM 0 HD13 LEU A 98 -5.117 -1.122 5.148 1.00 63.45 H new ATOM 0 HD21 LEU A 98 -7.121 -3.447 5.408 1.00 61.11 H new ATOM 0 HD22 LEU A 98 -5.906 -3.332 4.113 1.00 61.11 H new ATOM 0 HD23 LEU A 98 -5.972 -4.780 5.145 1.00 61.11 H new ATOM 1556 N ALA A 99 -1.854 -4.823 3.688 1.00 43.14 N ATOM 1557 CA ALA A 99 -1.430 -5.098 2.320 1.00 65.22 C ATOM 1558 C ALA A 99 -1.526 -6.587 2.004 1.00 35.23 C ATOM 1559 O ALA A 99 -2.175 -6.985 1.037 1.00 41.33 O ATOM 1560 CB ALA A 99 -0.009 -4.600 2.098 1.00 53.11 C ATOM 0 H ALA A 99 -1.174 -4.306 4.245 1.00 43.14 H new ATOM 0 HA ALA A 99 -2.100 -4.566 1.644 1.00 65.22 H new ATOM 0 HB1 ALA A 99 0.295 -4.812 1.073 1.00 53.11 H new ATOM 0 HB2 ALA A 99 0.031 -3.525 2.274 1.00 53.11 H new ATOM 0 HB3 ALA A 99 0.666 -5.106 2.788 1.00 53.11 H new ATOM 1566 N ILE A 100 -0.876 -7.405 2.826 1.00 2.25 N ATOM 1567 CA ILE A 100 -0.890 -8.849 2.634 1.00 10.30 C ATOM 1568 C ILE A 100 -2.316 -9.387 2.610 1.00 52.22 C ATOM 1569 O ILE A 100 -2.671 -10.195 1.753 1.00 52.33 O ATOM 1570 CB ILE A 100 -0.099 -9.571 3.740 1.00 34.32 C ATOM 1571 CG1 ILE A 100 1.348 -9.078 3.768 1.00 1.45 C ATOM 1572 CG2 ILE A 100 -0.147 -11.078 3.528 1.00 3.33 C ATOM 1573 CD1 ILE A 100 2.069 -9.390 5.062 1.00 52.21 C ATOM 0 H ILE A 100 -0.333 -7.092 3.631 1.00 2.25 H new ATOM 0 HA ILE A 100 -0.415 -9.044 1.672 1.00 10.30 H new ATOM 0 HB ILE A 100 -0.559 -9.344 4.702 1.00 34.32 H new ATOM 0 HG12 ILE A 100 1.893 -9.530 2.940 1.00 1.45 H new ATOM 0 HG13 ILE A 100 1.359 -8.000 3.606 1.00 1.45 H new ATOM 0 HG21 ILE A 100 0.417 -11.575 4.318 1.00 3.33 H new ATOM 0 HG22 ILE A 100 -1.183 -11.416 3.554 1.00 3.33 H new ATOM 0 HG23 ILE A 100 0.291 -11.323 2.560 1.00 3.33 H new ATOM 0 HD11 ILE A 100 3.090 -9.011 5.010 1.00 52.21 H new ATOM 0 HD12 ILE A 100 1.547 -8.915 5.893 1.00 52.21 H new ATOM 0 HD13 ILE A 100 2.090 -10.469 5.216 1.00 52.21 H new ATOM 1585 N ASN A 101 -3.131 -8.931 3.556 1.00 72.23 N ATOM 1586 CA ASN A 101 -4.521 -9.366 3.643 1.00 61.14 C ATOM 1587 C ASN A 101 -5.244 -9.141 2.319 1.00 54.41 C ATOM 1588 O ASN A 101 -5.902 -10.041 1.798 1.00 11.40 O ATOM 1589 CB ASN A 101 -5.241 -8.618 4.765 1.00 31.14 C ATOM 1590 CG ASN A 101 -6.647 -9.138 4.998 1.00 62.25 C ATOM 1591 OD1 ASN A 101 -6.885 -10.346 4.981 1.00 44.02 O ATOM 1592 ND2 ASN A 101 -7.587 -8.226 5.216 1.00 24.21 N ATOM 0 H ASN A 101 -2.853 -8.261 4.273 1.00 72.23 H new ATOM 0 HA ASN A 101 -4.530 -10.433 3.864 1.00 61.14 H new ATOM 0 HB2 ASN A 101 -4.666 -8.709 5.686 1.00 31.14 H new ATOM 0 HB3 ASN A 101 -5.285 -7.557 4.520 1.00 31.14 H new ATOM 0 HD21 ASN A 101 -8.551 -8.516 5.378 1.00 24.21 H new ATOM 0 HD22 ASN A 101 -7.345 -7.235 5.221 1.00 24.21 H new ATOM 1599 N ALA A 102 -5.119 -7.931 1.781 1.00 23.21 N ATOM 1600 CA ALA A 102 -5.758 -7.588 0.517 1.00 53.10 C ATOM 1601 C ALA A 102 -5.212 -8.440 -0.624 1.00 55.14 C ATOM 1602 O ALA A 102 -5.960 -8.869 -1.504 1.00 62.02 O ATOM 1603 CB ALA A 102 -5.567 -6.110 0.213 1.00 44.51 C ATOM 0 H ALA A 102 -4.581 -7.173 2.201 1.00 23.21 H new ATOM 0 HA ALA A 102 -6.824 -7.794 0.610 1.00 53.10 H new ATOM 0 HB1 ALA A 102 -6.049 -5.868 -0.734 1.00 44.51 H new ATOM 0 HB2 ALA A 102 -6.012 -5.514 1.010 1.00 44.51 H new ATOM 0 HB3 ALA A 102 -4.502 -5.887 0.145 1.00 44.51 H new ATOM 1609 N PHE A 103 -3.907 -8.681 -0.604 1.00 63.10 N ATOM 1610 CA PHE A 103 -3.260 -9.480 -1.639 1.00 32.42 C ATOM 1611 C PHE A 103 -3.880 -10.872 -1.716 1.00 63.41 C ATOM 1612 O PHE A 103 -4.316 -11.311 -2.779 1.00 32.40 O ATOM 1613 CB PHE A 103 -1.760 -9.592 -1.363 1.00 45.44 C ATOM 1614 CG PHE A 103 -1.029 -10.444 -2.361 1.00 74.24 C ATOM 1615 CD1 PHE A 103 -1.129 -10.185 -3.719 1.00 12.31 C ATOM 1616 CD2 PHE A 103 -0.243 -11.505 -1.943 1.00 4.13 C ATOM 1617 CE1 PHE A 103 -0.459 -10.969 -4.639 1.00 42.23 C ATOM 1618 CE2 PHE A 103 0.430 -12.292 -2.858 1.00 65.44 C ATOM 1619 CZ PHE A 103 0.323 -12.023 -4.208 1.00 50.30 C ATOM 0 H PHE A 103 -3.275 -8.335 0.118 1.00 63.10 H new ATOM 0 HA PHE A 103 -3.409 -8.981 -2.596 1.00 32.42 H new ATOM 0 HB2 PHE A 103 -1.323 -8.593 -1.361 1.00 45.44 H new ATOM 0 HB3 PHE A 103 -1.612 -10.007 -0.366 1.00 45.44 H new ATOM 0 HD1 PHE A 103 -1.737 -9.361 -4.062 1.00 12.31 H new ATOM 0 HD2 PHE A 103 -0.155 -11.720 -0.888 1.00 4.13 H new ATOM 0 HE1 PHE A 103 -0.547 -10.758 -5.694 1.00 42.23 H new ATOM 0 HE2 PHE A 103 1.039 -13.116 -2.518 1.00 65.44 H new ATOM 0 HZ PHE A 103 0.849 -12.635 -4.925 1.00 50.30 H new ATOM 1629 N ASN A 104 -3.913 -11.563 -0.580 1.00 53.35 N ATOM 1630 CA ASN A 104 -4.477 -12.906 -0.519 1.00 12.33 C ATOM 1631 C ASN A 104 -5.983 -12.874 -0.759 1.00 74.20 C ATOM 1632 O ASN A 104 -6.525 -13.710 -1.481 1.00 34.32 O ATOM 1633 CB ASN A 104 -4.179 -13.546 0.839 1.00 42.20 C ATOM 1634 CG ASN A 104 -2.843 -14.262 0.859 1.00 24.31 C ATOM 1635 OD1 ASN A 104 -2.768 -15.448 1.178 1.00 24.42 O ATOM 1636 ND2 ASN A 104 -1.780 -13.542 0.519 1.00 75.14 N ATOM 0 H ASN A 104 -3.556 -11.215 0.310 1.00 53.35 H new ATOM 0 HA ASN A 104 -4.014 -13.504 -1.304 1.00 12.33 H new ATOM 0 HB2 ASN A 104 -4.187 -12.776 1.610 1.00 42.20 H new ATOM 0 HB3 ASN A 104 -4.971 -14.253 1.086 1.00 42.20 H new ATOM 0 HD21 ASN A 104 -0.854 -13.970 0.515 1.00 75.14 H new ATOM 0 HD22 ASN A 104 -1.890 -12.561 0.261 1.00 75.14 H new ATOM 1643 N ASN A 105 -6.654 -11.903 -0.148 1.00 33.14 N ATOM 1644 CA ASN A 105 -8.099 -11.763 -0.295 1.00 25.04 C ATOM 1645 C ASN A 105 -8.483 -11.604 -1.763 1.00 15.12 C ATOM 1646 O ASN A 105 -9.425 -12.236 -2.241 1.00 73.32 O ATOM 1647 CB ASN A 105 -8.599 -10.561 0.508 1.00 12.53 C ATOM 1648 CG ASN A 105 -8.795 -10.887 1.977 1.00 44.55 C ATOM 1649 OD1 ASN A 105 -8.386 -11.948 2.448 1.00 1.22 O ATOM 1650 ND2 ASN A 105 -9.424 -9.973 2.707 1.00 45.12 N ATOM 0 H ASN A 105 -6.221 -11.202 0.453 1.00 33.14 H new ATOM 0 HA ASN A 105 -8.569 -12.669 0.089 1.00 25.04 H new ATOM 0 HB2 ASN A 105 -7.886 -9.742 0.412 1.00 12.53 H new ATOM 0 HB3 ASN A 105 -9.542 -10.213 0.087 1.00 12.53 H new ATOM 0 HD21 ASN A 105 -9.585 -10.137 3.701 1.00 45.12 H new ATOM 0 HD22 ASN A 105 -9.746 -9.107 2.274 1.00 45.12 H new ATOM 1657 N LYS A 106 -7.747 -10.754 -2.473 1.00 34.53 N ATOM 1658 CA LYS A 106 -8.009 -10.513 -3.886 1.00 71.12 C ATOM 1659 C LYS A 106 -9.508 -10.463 -4.162 1.00 13.35 C ATOM 1660 O LYS A 106 -9.984 -11.002 -5.162 1.00 5.43 O ATOM 1661 CB LYS A 106 -7.358 -11.604 -4.740 1.00 73.11 C ATOM 1662 CG LYS A 106 -7.929 -12.990 -4.494 1.00 25.14 C ATOM 1663 CD LYS A 106 -7.604 -13.937 -5.636 1.00 32.32 C ATOM 1664 CE LYS A 106 -8.773 -14.863 -5.941 1.00 24.35 C ATOM 1665 NZ LYS A 106 -8.501 -15.729 -7.122 1.00 31.12 N ATOM 0 H LYS A 106 -6.965 -10.221 -2.092 1.00 34.53 H new ATOM 0 HA LYS A 106 -7.577 -9.547 -4.150 1.00 71.12 H new ATOM 0 HB2 LYS A 106 -7.481 -11.351 -5.793 1.00 73.11 H new ATOM 0 HB3 LYS A 106 -6.287 -11.620 -4.539 1.00 73.11 H new ATOM 0 HG2 LYS A 106 -7.528 -13.390 -3.563 1.00 25.14 H new ATOM 0 HG3 LYS A 106 -9.010 -12.923 -4.372 1.00 25.14 H new ATOM 0 HD2 LYS A 106 -7.352 -13.362 -6.527 1.00 32.32 H new ATOM 0 HD3 LYS A 106 -6.726 -14.530 -5.380 1.00 32.32 H new ATOM 0 HE2 LYS A 106 -8.978 -15.488 -5.072 1.00 24.35 H new ATOM 0 HE3 LYS A 106 -9.668 -14.269 -6.125 1.00 24.35 H new ATOM 0 HZ1 LYS A 106 -9.321 -16.345 -7.297 1.00 31.12 H new ATOM 0 HZ2 LYS A 106 -8.331 -15.133 -7.957 1.00 31.12 H new ATOM 0 HZ3 LYS A 106 -7.661 -16.314 -6.937 1.00 31.12 H new ATOM 1679 N SER A 107 -10.247 -9.811 -3.270 1.00 75.40 N ATOM 1680 CA SER A 107 -11.694 -9.693 -3.416 1.00 51.13 C ATOM 1681 C SER A 107 -12.236 -8.555 -2.557 1.00 23.51 C ATOM 1682 O SER A 107 -12.905 -7.650 -3.054 1.00 74.12 O ATOM 1683 CB SER A 107 -12.376 -11.008 -3.033 1.00 11.14 C ATOM 1684 OG SER A 107 -12.692 -11.772 -4.182 1.00 74.14 O ATOM 0 H SER A 107 -9.868 -9.357 -2.439 1.00 75.40 H new ATOM 0 HA SER A 107 -11.912 -9.471 -4.461 1.00 51.13 H new ATOM 0 HB2 SER A 107 -11.721 -11.584 -2.379 1.00 11.14 H new ATOM 0 HB3 SER A 107 -13.286 -10.799 -2.470 1.00 11.14 H new ATOM 0 HG SER A 107 -11.946 -11.732 -4.816 1.00 74.14 H new ATOM 1690 N SER A 108 -11.942 -8.609 -1.261 1.00 64.15 N ATOM 1691 CA SER A 108 -12.401 -7.586 -0.330 1.00 11.14 C ATOM 1692 C SER A 108 -13.926 -7.544 -0.279 1.00 3.23 C ATOM 1693 O SER A 108 -14.571 -6.952 -1.144 1.00 12.34 O ATOM 1694 CB SER A 108 -11.855 -6.215 -0.733 1.00 72.13 C ATOM 1695 OG SER A 108 -10.456 -6.269 -0.953 1.00 12.30 O ATOM 0 H SER A 108 -11.388 -9.351 -0.833 1.00 64.15 H new ATOM 0 HA SER A 108 -12.027 -7.839 0.662 1.00 11.14 H new ATOM 0 HB2 SER A 108 -12.356 -5.872 -1.638 1.00 72.13 H new ATOM 0 HB3 SER A 108 -12.076 -5.488 0.048 1.00 72.13 H new ATOM 0 HG SER A 108 -10.131 -5.381 -1.211 1.00 12.30 H new ATOM 1701 N VAL A 109 -14.495 -8.178 0.741 1.00 33.11 N ATOM 1702 CA VAL A 109 -15.943 -8.213 0.907 1.00 33.14 C ATOM 1703 C VAL A 109 -16.329 -8.183 2.382 1.00 43.40 C ATOM 1704 O VAL A 109 -15.486 -7.954 3.250 1.00 24.21 O ATOM 1705 CB VAL A 109 -16.553 -9.467 0.255 1.00 62.41 C ATOM 1706 CG1 VAL A 109 -15.928 -10.728 0.833 1.00 40.32 C ATOM 1707 CG2 VAL A 109 -18.064 -9.481 0.435 1.00 21.22 C ATOM 0 H VAL A 109 -13.975 -8.674 1.465 1.00 33.11 H new ATOM 0 HA VAL A 109 -16.339 -7.326 0.412 1.00 33.14 H new ATOM 0 HB VAL A 109 -16.338 -9.440 -0.813 1.00 62.41 H new ATOM 0 HG11 VAL A 109 -16.372 -11.604 0.360 1.00 40.32 H new ATOM 0 HG12 VAL A 109 -14.854 -10.720 0.647 1.00 40.32 H new ATOM 0 HG13 VAL A 109 -16.110 -10.765 1.907 1.00 40.32 H new ATOM 0 HG21 VAL A 109 -18.478 -10.375 -0.032 1.00 21.22 H new ATOM 0 HG22 VAL A 109 -18.304 -9.483 1.498 1.00 21.22 H new ATOM 0 HG23 VAL A 109 -18.494 -8.595 -0.032 1.00 21.22 H new TER 1717 VAL A 109