USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 979 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 35 MET CE :methyl -156:sc= -0.907! (180deg=-2.37!) USER MOD Set 1.2: A 39 GLN : amide:sc= -0.232 X(o=-1.1,f=-1.1) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -1.52 X(o=-0.82,f=-0.41) USER MOD Set 2.2: A 21 THR OG1 : rot -61:sc= 0.702 USER MOD Set 2.3: A 23 LYS NZ :NH3+ 162:sc= 0.00586 (180deg=0) USER MOD Set 3.1: A 14 MET CE :methyl -179:sc= -0.401 (180deg=-0.413) USER MOD Set 3.2: A 112 SER OG : rot 131:sc= 1.35 USER MOD Single : A 6 THR OG1 : rot -154:sc= 0.873 USER MOD Single : A 8 SER OG : rot 140:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.024) USER MOD Single : A 25 MET CE :methyl 138:sc= -0.141 (180deg=-0.253) USER MOD Single : A 28 CYS SG : rot 180:sc= -0.986 USER MOD Single : A 29 MET CE :methyl -174:sc= -0.0473 (180deg=-0.102) USER MOD Single : A 37 THR OG1 : rot -150:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -14:sc= 1.21 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.113) USER MOD Single : A 48 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.7) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot -27:sc= -0.101 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0801 USER MOD Single : A 63 SER OG : rot 120:sc= 0.071 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 69 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 72 THR OG1 : rot 80:sc= 0.404 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0.817 K(o=0.82,f=-6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0236 K(o=-0.024,f=-1.5!) USER MOD Single : A 83 THR OG1 : rot 127:sc= 1.24 USER MOD Single : A 84 MET CE :methyl -178:sc= 0 (180deg=-0.00391) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.341 USER MOD Single : A 91 HIS : no HE2:sc= -0.352 X(o=-0.35,f=-0.3) USER MOD Single : A 94 ASN : amide:sc= -0.656 K(o=-0.66,f=-0.012) USER MOD Single : A 101 CYS SG : rot 171:sc= 0.681 USER MOD Single : A 102 MET CE :methyl 152:sc= -0.115 (180deg=-1.93) USER MOD Single : A 104 SER OG : rot 85:sc= 0.411 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 150:sc= 0.934 USER MOD Single : A 123 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.4!) USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.957 -8.248 4.993 1.00 72.52 N ATOM 54 CA GLY A 5 8.796 -7.427 4.150 1.00 53.14 C ATOM 55 C GLY A 5 8.293 -7.379 2.719 1.00 60.02 C ATOM 56 O GLY A 5 7.112 -7.581 2.427 1.00 54.50 O ATOM 0 HA2 GLY A 5 8.836 -6.415 4.554 1.00 53.14 H new ATOM 0 HA3 GLY A 5 9.814 -7.816 4.163 1.00 53.14 H new ATOM 60 N THR A 6 9.211 -7.027 1.835 1.00 54.11 N ATOM 61 CA THR A 6 9.039 -7.072 0.400 1.00 52.03 C ATOM 62 C THR A 6 9.042 -8.533 -0.066 1.00 15.13 C ATOM 63 O THR A 6 9.918 -9.298 0.336 1.00 13.22 O ATOM 64 CB THR A 6 10.204 -6.259 -0.167 1.00 52.21 C ATOM 65 OG1 THR A 6 10.089 -4.914 0.278 1.00 61.23 O ATOM 66 CG2 THR A 6 10.265 -6.260 -1.683 1.00 12.11 C ATOM 0 H THR A 6 10.132 -6.689 2.113 1.00 54.11 H new ATOM 0 HA THR A 6 8.092 -6.653 0.059 1.00 52.03 H new ATOM 0 HB THR A 6 11.118 -6.731 0.192 1.00 52.21 H new ATOM 0 HG1 THR A 6 10.535 -4.319 -0.360 1.00 61.23 H new ATOM 0 HG21 THR A 6 11.116 -5.664 -2.013 1.00 12.11 H new ATOM 0 HG22 THR A 6 10.378 -7.283 -2.042 1.00 12.11 H new ATOM 0 HG23 THR A 6 9.346 -5.834 -2.084 1.00 12.11 H new ATOM 74 N VAL A 7 8.080 -8.902 -0.916 1.00 52.05 N ATOM 75 CA VAL A 7 7.879 -10.237 -1.480 1.00 40.23 C ATOM 76 C VAL A 7 7.329 -10.122 -2.923 1.00 4.30 C ATOM 77 O VAL A 7 7.190 -9.014 -3.439 1.00 54.30 O ATOM 78 CB VAL A 7 6.961 -11.052 -0.549 1.00 71.34 C ATOM 79 CG1 VAL A 7 7.562 -11.311 0.839 1.00 15.44 C ATOM 80 CG2 VAL A 7 5.583 -10.401 -0.335 1.00 44.12 C ATOM 0 H VAL A 7 7.381 -8.237 -1.247 1.00 52.05 H new ATOM 0 HA VAL A 7 8.827 -10.770 -1.547 1.00 40.23 H new ATOM 0 HB VAL A 7 6.850 -11.998 -1.079 1.00 71.34 H new ATOM 0 HG11 VAL A 7 6.859 -11.890 1.438 1.00 15.44 H new ATOM 0 HG12 VAL A 7 8.493 -11.868 0.734 1.00 15.44 H new ATOM 0 HG13 VAL A 7 7.761 -10.360 1.332 1.00 15.44 H new ATOM 0 HG21 VAL A 7 4.985 -11.025 0.330 1.00 44.12 H new ATOM 0 HG22 VAL A 7 5.712 -9.415 0.111 1.00 44.12 H new ATOM 0 HG23 VAL A 7 5.075 -10.302 -1.294 1.00 44.12 H new ATOM 90 N SER A 8 7.013 -11.234 -3.601 1.00 1.34 N ATOM 91 CA SER A 8 6.616 -11.281 -5.021 1.00 21.13 C ATOM 92 C SER A 8 5.123 -11.574 -5.243 1.00 34.31 C ATOM 93 O SER A 8 4.713 -11.916 -6.356 1.00 5.41 O ATOM 94 CB SER A 8 7.518 -12.252 -5.809 1.00 23.15 C ATOM 95 OG SER A 8 8.083 -13.321 -5.056 1.00 33.51 O ATOM 0 H SER A 8 7.026 -12.156 -3.165 1.00 1.34 H new ATOM 0 HA SER A 8 6.765 -10.275 -5.413 1.00 21.13 H new ATOM 0 HB2 SER A 8 6.936 -12.676 -6.627 1.00 23.15 H new ATOM 0 HB3 SER A 8 8.330 -11.680 -6.259 1.00 23.15 H new ATOM 0 HG SER A 8 8.063 -14.143 -5.589 1.00 33.51 H new ATOM 101 N TRP A 9 4.305 -11.491 -4.192 1.00 70.24 N ATOM 102 CA TRP A 9 2.920 -11.951 -4.217 1.00 5.23 C ATOM 103 C TRP A 9 2.049 -11.224 -5.232 1.00 62.32 C ATOM 104 O TRP A 9 2.413 -10.177 -5.776 1.00 65.42 O ATOM 105 CB TRP A 9 2.315 -11.800 -2.826 1.00 50.21 C ATOM 106 CG TRP A 9 2.989 -12.559 -1.744 1.00 23.35 C ATOM 107 CD1 TRP A 9 3.889 -13.557 -1.892 1.00 40.43 C ATOM 108 CD2 TRP A 9 2.773 -12.418 -0.319 1.00 61.33 C ATOM 109 NE1 TRP A 9 4.333 -13.958 -0.652 1.00 42.23 N ATOM 110 CE2 TRP A 9 3.672 -13.293 0.354 1.00 21.34 C ATOM 111 CE3 TRP A 9 1.885 -11.656 0.463 1.00 1.33 C ATOM 112 CZ2 TRP A 9 3.758 -13.340 1.748 1.00 73.14 C ATOM 113 CZ3 TRP A 9 1.875 -11.817 1.859 1.00 12.05 C ATOM 114 CH2 TRP A 9 2.845 -12.596 2.509 1.00 21.15 C ATOM 0 H TRP A 9 4.590 -11.099 -3.294 1.00 70.24 H new ATOM 0 HA TRP A 9 2.944 -12.996 -4.525 1.00 5.23 H new ATOM 0 HB2 TRP A 9 2.321 -10.743 -2.561 1.00 50.21 H new ATOM 0 HB3 TRP A 9 1.272 -12.113 -2.868 1.00 50.21 H new ATOM 0 HD1 TRP A 9 4.209 -13.974 -2.835 1.00 40.43 H new ATOM 0 HE1 TRP A 9 5.059 -14.658 -0.499 1.00 42.23 H new ATOM 0 HE3 TRP A 9 1.215 -10.951 -0.007 1.00 1.33 H new ATOM 0 HZ2 TRP A 9 4.515 -13.940 2.231 1.00 73.14 H new ATOM 0 HZ3 TRP A 9 1.106 -11.332 2.443 1.00 12.05 H new ATOM 0 HH2 TRP A 9 2.888 -12.622 3.588 1.00 21.15 H new ATOM 125 N ASN A 10 0.858 -11.779 -5.453 1.00 52.31 N ATOM 126 CA ASN A 10 -0.096 -11.190 -6.379 1.00 62.35 C ATOM 127 C ASN A 10 -0.804 -10.034 -5.695 1.00 52.12 C ATOM 128 O ASN A 10 -1.008 -10.065 -4.478 1.00 44.23 O ATOM 129 CB ASN A 10 -1.190 -12.187 -6.800 1.00 61.23 C ATOM 130 CG ASN A 10 -0.693 -13.585 -7.079 1.00 60.13 C ATOM 131 OD1 ASN A 10 0.129 -13.812 -7.959 1.00 54.43 O ATOM 132 ND2 ASN A 10 -1.179 -14.549 -6.323 1.00 72.33 N ATOM 0 H ASN A 10 0.535 -12.635 -5.002 1.00 52.31 H new ATOM 0 HA ASN A 10 0.467 -10.875 -7.258 1.00 62.35 H new ATOM 0 HB2 ASN A 10 -1.943 -12.234 -6.013 1.00 61.23 H new ATOM 0 HB3 ASN A 10 -1.685 -11.807 -7.693 1.00 61.23 H new ATOM 0 HD21 ASN A 10 -0.872 -15.511 -6.464 1.00 72.33 H new ATOM 0 HD22 ASN A 10 -1.862 -14.333 -5.597 1.00 72.33 H new ATOM 139 N LEU A 11 -1.389 -9.155 -6.502 1.00 10.50 N ATOM 140 CA LEU A 11 -2.445 -8.249 -6.068 1.00 5.44 C ATOM 141 C LEU A 11 -3.567 -9.007 -5.354 1.00 1.51 C ATOM 142 O LEU A 11 -4.091 -8.505 -4.366 1.00 14.03 O ATOM 143 CB LEU A 11 -2.984 -7.512 -7.299 1.00 22.42 C ATOM 144 CG LEU A 11 -4.019 -6.425 -6.959 1.00 33.12 C ATOM 145 CD1 LEU A 11 -3.391 -5.281 -6.154 1.00 30.30 C ATOM 146 CD2 LEU A 11 -4.581 -5.890 -8.274 1.00 41.10 C ATOM 0 H LEU A 11 -1.140 -9.051 -7.486 1.00 10.50 H new ATOM 0 HA LEU A 11 -2.039 -7.533 -5.353 1.00 5.44 H new ATOM 0 HB2 LEU A 11 -2.151 -7.055 -7.833 1.00 22.42 H new ATOM 0 HB3 LEU A 11 -3.438 -8.236 -7.976 1.00 22.42 H new ATOM 0 HG LEU A 11 -4.808 -6.856 -6.343 1.00 33.12 H new ATOM 0 HD11 LEU A 11 -4.151 -4.532 -5.932 1.00 30.30 H new ATOM 0 HD12 LEU A 11 -2.984 -5.673 -5.222 1.00 30.30 H new ATOM 0 HD13 LEU A 11 -2.590 -4.824 -6.735 1.00 30.30 H new ATOM 0 HD21 LEU A 11 -5.319 -5.116 -8.066 1.00 41.10 H new ATOM 0 HD22 LEU A 11 -3.772 -5.469 -8.871 1.00 41.10 H new ATOM 0 HD23 LEU A 11 -5.053 -6.703 -8.825 1.00 41.10 H new ATOM 158 N ARG A 12 -3.945 -10.212 -5.806 1.00 60.32 N ATOM 159 CA ARG A 12 -5.020 -10.941 -5.121 1.00 12.34 C ATOM 160 C ARG A 12 -4.552 -11.616 -3.846 1.00 30.23 C ATOM 161 O ARG A 12 -5.373 -11.856 -2.969 1.00 12.52 O ATOM 162 CB ARG A 12 -5.685 -11.960 -6.053 1.00 25.21 C ATOM 163 CG ARG A 12 -6.872 -11.278 -6.728 1.00 12.50 C ATOM 164 CD ARG A 12 -7.583 -12.247 -7.665 1.00 51.22 C ATOM 165 NE ARG A 12 -8.557 -11.540 -8.510 1.00 62.33 N ATOM 166 CZ ARG A 12 -9.570 -12.129 -9.151 1.00 23.21 C ATOM 167 NH1 ARG A 12 -9.807 -13.426 -8.985 1.00 32.31 N ATOM 168 NH2 ARG A 12 -10.344 -11.425 -9.972 1.00 54.50 N ATOM 0 H ARG A 12 -3.540 -10.687 -6.612 1.00 60.32 H new ATOM 0 HA ARG A 12 -5.760 -10.193 -4.836 1.00 12.34 H new ATOM 0 HB2 ARG A 12 -4.974 -12.314 -6.799 1.00 25.21 H new ATOM 0 HB3 ARG A 12 -6.017 -12.832 -5.489 1.00 25.21 H new ATOM 0 HG2 ARG A 12 -7.569 -10.916 -5.972 1.00 12.50 H new ATOM 0 HG3 ARG A 12 -6.529 -10.408 -7.287 1.00 12.50 H new ATOM 0 HD2 ARG A 12 -6.851 -12.755 -8.293 1.00 51.22 H new ATOM 0 HD3 ARG A 12 -8.091 -13.016 -7.083 1.00 51.22 H new ATOM 0 HE ARG A 12 -8.452 -10.531 -8.614 1.00 62.33 H new ATOM 0 HH11 ARG A 12 -9.214 -13.978 -8.365 1.00 32.31 H new ATOM 0 HH12 ARG A 12 -10.582 -13.870 -9.477 1.00 32.31 H new ATOM 0 HH21 ARG A 12 -10.165 -10.431 -10.114 1.00 54.50 H new ATOM 0 HH22 ARG A 12 -11.116 -11.879 -10.459 1.00 54.50 H new ATOM 182 N GLU A 13 -3.260 -11.911 -3.737 1.00 44.14 N ATOM 183 CA GLU A 13 -2.717 -12.433 -2.499 1.00 51.53 C ATOM 184 C GLU A 13 -2.807 -11.327 -1.455 1.00 65.54 C ATOM 185 O GLU A 13 -3.319 -11.579 -0.365 1.00 40.05 O ATOM 186 CB GLU A 13 -1.293 -12.969 -2.684 1.00 60.54 C ATOM 187 CG GLU A 13 -1.265 -14.471 -2.990 1.00 30.31 C ATOM 188 CD GLU A 13 -1.708 -15.320 -1.792 1.00 64.10 C ATOM 189 OE1 GLU A 13 -0.914 -15.526 -0.847 1.00 21.25 O ATOM 190 OE2 GLU A 13 -2.896 -15.713 -1.744 1.00 45.45 O ATOM 0 H GLU A 13 -2.579 -11.797 -4.488 1.00 44.14 H new ATOM 0 HA GLU A 13 -3.295 -13.293 -2.161 1.00 51.53 H new ATOM 0 HB2 GLU A 13 -0.807 -12.427 -3.496 1.00 60.54 H new ATOM 0 HB3 GLU A 13 -0.715 -12.775 -1.780 1.00 60.54 H new ATOM 0 HG2 GLU A 13 -1.916 -14.678 -3.839 1.00 30.31 H new ATOM 0 HG3 GLU A 13 -0.256 -14.760 -3.284 1.00 30.31 H new ATOM 197 N MET A 14 -2.337 -10.107 -1.753 1.00 72.15 N ATOM 198 CA MET A 14 -2.412 -9.039 -0.769 1.00 25.31 C ATOM 199 C MET A 14 -3.868 -8.684 -0.439 1.00 34.11 C ATOM 200 O MET A 14 -4.186 -8.557 0.741 1.00 63.41 O ATOM 201 CB MET A 14 -1.572 -7.810 -1.151 1.00 54.31 C ATOM 202 CG MET A 14 -1.829 -7.230 -2.538 1.00 23.12 C ATOM 203 SD MET A 14 -1.317 -5.504 -2.757 1.00 4.22 S ATOM 204 CE MET A 14 0.481 -5.670 -2.754 1.00 63.13 C ATOM 0 H MET A 14 -1.914 -9.848 -2.644 1.00 72.15 H new ATOM 0 HA MET A 14 -1.960 -9.421 0.146 1.00 25.31 H new ATOM 0 HB2 MET A 14 -1.751 -7.028 -0.413 1.00 54.31 H new ATOM 0 HB3 MET A 14 -0.518 -8.079 -1.081 1.00 54.31 H new ATOM 0 HG2 MET A 14 -1.308 -7.843 -3.273 1.00 23.12 H new ATOM 0 HG3 MET A 14 -2.894 -7.307 -2.755 1.00 23.12 H new ATOM 0 HE1 MET A 14 0.937 -4.686 -2.862 1.00 63.13 H new ATOM 0 HE2 MET A 14 0.803 -6.118 -1.814 1.00 63.13 H new ATOM 0 HE3 MET A 14 0.789 -6.306 -3.584 1.00 63.13 H new ATOM 214 N LEU A 15 -4.754 -8.563 -1.439 1.00 14.01 N ATOM 215 CA LEU A 15 -6.152 -8.166 -1.236 1.00 72.01 C ATOM 216 C LEU A 15 -6.884 -9.160 -0.329 1.00 51.24 C ATOM 217 O LEU A 15 -7.695 -8.758 0.508 1.00 73.43 O ATOM 218 CB LEU A 15 -6.875 -8.068 -2.597 1.00 44.22 C ATOM 219 CG LEU A 15 -8.248 -7.363 -2.519 1.00 65.04 C ATOM 220 CD1 LEU A 15 -8.086 -5.839 -2.574 1.00 75.33 C ATOM 221 CD2 LEU A 15 -9.146 -7.758 -3.695 1.00 74.54 C ATOM 0 H LEU A 15 -4.518 -8.739 -2.416 1.00 14.01 H new ATOM 0 HA LEU A 15 -6.160 -7.191 -0.749 1.00 72.01 H new ATOM 0 HB2 LEU A 15 -6.239 -7.529 -3.299 1.00 44.22 H new ATOM 0 HB3 LEU A 15 -7.014 -9.072 -2.998 1.00 44.22 H new ATOM 0 HG LEU A 15 -8.698 -7.672 -1.576 1.00 65.04 H new ATOM 0 HD11 LEU A 15 -9.067 -5.367 -2.517 1.00 75.33 H new ATOM 0 HD12 LEU A 15 -7.475 -5.508 -1.735 1.00 75.33 H new ATOM 0 HD13 LEU A 15 -7.601 -5.558 -3.509 1.00 75.33 H new ATOM 0 HD21 LEU A 15 -10.104 -7.245 -3.610 1.00 74.54 H new ATOM 0 HD22 LEU A 15 -8.665 -7.475 -4.631 1.00 74.54 H new ATOM 0 HD23 LEU A 15 -9.309 -8.836 -3.682 1.00 74.54 H new ATOM 233 N ALA A 16 -6.642 -10.457 -0.522 1.00 42.14 N ATOM 234 CA ALA A 16 -7.323 -11.504 0.219 1.00 4.50 C ATOM 235 C ALA A 16 -6.679 -11.727 1.581 1.00 63.23 C ATOM 236 O ALA A 16 -7.412 -11.891 2.551 1.00 64.30 O ATOM 237 CB ALA A 16 -7.337 -12.764 -0.632 1.00 64.32 C ATOM 0 H ALA A 16 -5.965 -10.806 -1.200 1.00 42.14 H new ATOM 0 HA ALA A 16 -8.352 -11.208 0.424 1.00 4.50 H new ATOM 0 HB1 ALA A 16 -7.845 -13.563 -0.091 1.00 64.32 H new ATOM 0 HB2 ALA A 16 -7.863 -12.566 -1.566 1.00 64.32 H new ATOM 0 HB3 ALA A 16 -6.313 -13.068 -0.850 1.00 64.32 H new ATOM 243 N HIS A 17 -5.349 -11.653 1.699 1.00 72.23 N ATOM 244 CA HIS A 17 -4.688 -11.703 2.998 1.00 10.02 C ATOM 245 C HIS A 17 -5.152 -10.544 3.872 1.00 1.34 C ATOM 246 O HIS A 17 -5.424 -10.735 5.056 1.00 15.43 O ATOM 247 CB HIS A 17 -3.166 -11.665 2.838 1.00 24.14 C ATOM 248 CG HIS A 17 -2.427 -11.673 4.146 1.00 52.22 C ATOM 249 ND1 HIS A 17 -2.272 -12.741 4.999 1.00 44.42 N ATOM 250 CD2 HIS A 17 -1.746 -10.614 4.668 1.00 0.33 C ATOM 251 CE1 HIS A 17 -1.482 -12.338 6.008 1.00 62.13 C ATOM 252 NE2 HIS A 17 -1.134 -11.047 5.850 1.00 42.34 N ATOM 0 H HIS A 17 -4.713 -11.558 0.907 1.00 72.23 H new ATOM 0 HA HIS A 17 -4.959 -12.642 3.481 1.00 10.02 H new ATOM 0 HB2 HIS A 17 -2.849 -12.523 2.245 1.00 24.14 H new ATOM 0 HB3 HIS A 17 -2.889 -10.771 2.279 1.00 24.14 H new ATOM 0 HD1 HIS A 17 -2.682 -13.668 4.886 1.00 44.42 H new ATOM 0 HD2 HIS A 17 -1.689 -9.621 4.246 1.00 0.33 H new ATOM 0 HE1 HIS A 17 -1.169 -12.963 6.832 1.00 62.13 H new ATOM 260 N ALA A 18 -5.254 -9.340 3.308 1.00 15.11 N ATOM 261 CA ALA A 18 -5.698 -8.159 4.023 1.00 42.12 C ATOM 262 C ALA A 18 -7.115 -8.372 4.554 1.00 21.15 C ATOM 263 O ALA A 18 -7.418 -7.972 5.674 1.00 41.13 O ATOM 264 CB ALA A 18 -5.608 -6.954 3.088 1.00 11.33 C ATOM 0 H ALA A 18 -5.026 -9.163 2.330 1.00 15.11 H new ATOM 0 HA ALA A 18 -5.058 -7.971 4.885 1.00 42.12 H new ATOM 0 HB1 ALA A 18 -5.940 -6.059 3.615 1.00 11.33 H new ATOM 0 HB2 ALA A 18 -4.576 -6.822 2.763 1.00 11.33 H new ATOM 0 HB3 ALA A 18 -6.244 -7.120 2.219 1.00 11.33 H new ATOM 270 N GLU A 19 -7.973 -9.056 3.797 1.00 24.32 N ATOM 271 CA GLU A 19 -9.289 -9.447 4.267 1.00 24.13 C ATOM 272 C GLU A 19 -9.217 -10.525 5.359 1.00 0.30 C ATOM 273 O GLU A 19 -9.866 -10.384 6.398 1.00 52.12 O ATOM 274 CB GLU A 19 -10.156 -9.884 3.072 1.00 12.22 C ATOM 275 CG GLU A 19 -10.953 -8.696 2.530 1.00 23.11 C ATOM 276 CD GLU A 19 -12.193 -9.041 1.705 1.00 3.23 C ATOM 277 OE1 GLU A 19 -12.362 -10.197 1.261 1.00 21.11 O ATOM 278 OE2 GLU A 19 -13.037 -8.135 1.490 1.00 53.04 O ATOM 0 H GLU A 19 -7.769 -9.351 2.842 1.00 24.32 H new ATOM 0 HA GLU A 19 -9.760 -8.583 4.736 1.00 24.13 H new ATOM 0 HB2 GLU A 19 -9.523 -10.295 2.286 1.00 12.22 H new ATOM 0 HB3 GLU A 19 -10.837 -10.677 3.379 1.00 12.22 H new ATOM 0 HG2 GLU A 19 -11.262 -8.077 3.372 1.00 23.11 H new ATOM 0 HG3 GLU A 19 -10.289 -8.089 1.915 1.00 23.11 H new ATOM 285 N GLU A 20 -8.465 -11.603 5.138 1.00 64.21 N ATOM 286 CA GLU A 20 -8.383 -12.771 6.019 1.00 44.22 C ATOM 287 C GLU A 20 -7.687 -12.441 7.345 1.00 74.21 C ATOM 288 O GLU A 20 -7.846 -13.157 8.337 1.00 72.23 O ATOM 289 CB GLU A 20 -7.668 -13.905 5.254 1.00 25.54 C ATOM 290 CG GLU A 20 -7.602 -15.270 5.966 1.00 40.44 C ATOM 291 CD GLU A 20 -8.989 -15.865 6.249 1.00 50.54 C ATOM 292 OE1 GLU A 20 -9.554 -16.610 5.411 1.00 0.40 O ATOM 293 OE2 GLU A 20 -9.567 -15.565 7.317 1.00 52.10 O ATOM 0 H GLU A 20 -7.874 -11.691 4.311 1.00 64.21 H new ATOM 0 HA GLU A 20 -9.388 -13.095 6.290 1.00 44.22 H new ATOM 0 HB2 GLU A 20 -8.170 -14.042 4.296 1.00 25.54 H new ATOM 0 HB3 GLU A 20 -6.650 -13.583 5.036 1.00 25.54 H new ATOM 0 HG2 GLU A 20 -7.032 -15.967 5.352 1.00 40.44 H new ATOM 0 HG3 GLU A 20 -7.062 -15.158 6.906 1.00 40.44 H new ATOM 300 N THR A 21 -6.930 -11.347 7.390 1.00 14.30 N ATOM 301 CA THR A 21 -6.130 -10.960 8.544 1.00 14.05 C ATOM 302 C THR A 21 -6.416 -9.516 8.977 1.00 32.00 C ATOM 303 O THR A 21 -5.742 -9.012 9.876 1.00 50.25 O ATOM 304 CB THR A 21 -4.645 -11.257 8.267 1.00 13.51 C ATOM 305 OG1 THR A 21 -4.112 -10.391 7.295 1.00 44.02 O ATOM 306 CG2 THR A 21 -4.404 -12.696 7.796 1.00 73.32 C ATOM 0 H THR A 21 -6.856 -10.694 6.610 1.00 14.30 H new ATOM 0 HA THR A 21 -6.416 -11.563 9.406 1.00 14.05 H new ATOM 0 HB THR A 21 -4.144 -11.105 9.223 1.00 13.51 H new ATOM 0 HG1 THR A 21 -4.594 -10.511 6.450 1.00 44.02 H new ATOM 0 HG21 THR A 21 -3.339 -12.847 7.616 1.00 73.32 H new ATOM 0 HG22 THR A 21 -4.745 -13.392 8.563 1.00 73.32 H new ATOM 0 HG23 THR A 21 -4.956 -12.874 6.873 1.00 73.32 H new ATOM 314 N ARG A 22 -7.435 -8.866 8.395 1.00 53.44 N ATOM 315 CA ARG A 22 -7.925 -7.510 8.691 1.00 44.02 C ATOM 316 C ARG A 22 -6.916 -6.391 8.409 1.00 5.24 C ATOM 317 O ARG A 22 -7.209 -5.247 8.752 1.00 0.31 O ATOM 318 CB ARG A 22 -8.477 -7.404 10.131 1.00 32.05 C ATOM 319 CG ARG A 22 -9.768 -8.169 10.424 1.00 25.23 C ATOM 320 CD ARG A 22 -9.634 -9.697 10.338 1.00 12.44 C ATOM 321 NE ARG A 22 -10.419 -10.362 11.379 1.00 14.10 N ATOM 322 CZ ARG A 22 -11.743 -10.352 11.524 1.00 65.14 C ATOM 323 NH1 ARG A 22 -12.544 -9.868 10.585 1.00 30.21 N ATOM 324 NH2 ARG A 22 -12.288 -10.855 12.617 1.00 53.34 N ATOM 0 H ARG A 22 -7.978 -9.305 7.651 1.00 53.44 H new ATOM 0 HA ARG A 22 -8.742 -7.352 7.987 1.00 44.02 H new ATOM 0 HB2 ARG A 22 -7.708 -7.757 10.818 1.00 32.05 H new ATOM 0 HB3 ARG A 22 -8.646 -6.351 10.355 1.00 32.05 H new ATOM 0 HG2 ARG A 22 -10.115 -7.903 11.422 1.00 25.23 H new ATOM 0 HG3 ARG A 22 -10.536 -7.844 9.722 1.00 25.23 H new ATOM 0 HD2 ARG A 22 -9.965 -10.038 9.357 1.00 12.44 H new ATOM 0 HD3 ARG A 22 -8.585 -9.978 10.436 1.00 12.44 H new ATOM 0 HE ARG A 22 -9.892 -10.893 12.072 1.00 14.10 H new ATOM 0 HH11 ARG A 22 -12.150 -9.490 9.724 1.00 30.21 H new ATOM 0 HH12 ARG A 22 -13.554 -9.874 10.724 1.00 30.21 H new ATOM 0 HH21 ARG A 22 -11.695 -11.250 13.347 1.00 53.34 H new ATOM 0 HH22 ARG A 22 -13.302 -10.849 12.731 1.00 53.34 H new ATOM 338 N LYS A 23 -5.734 -6.684 7.862 1.00 61.44 N ATOM 339 CA LYS A 23 -4.643 -5.717 7.779 1.00 11.45 C ATOM 340 C LYS A 23 -5.077 -4.530 6.920 1.00 52.01 C ATOM 341 O LYS A 23 -5.613 -4.724 5.828 1.00 64.20 O ATOM 342 CB LYS A 23 -3.351 -6.381 7.270 1.00 52.21 C ATOM 343 CG LYS A 23 -2.842 -7.426 8.277 1.00 42.53 C ATOM 344 CD LYS A 23 -1.571 -8.157 7.828 1.00 34.34 C ATOM 345 CE LYS A 23 -1.388 -9.390 8.727 1.00 62.53 C ATOM 346 NZ LYS A 23 0.000 -9.891 8.758 1.00 23.25 N ATOM 0 H LYS A 23 -5.509 -7.597 7.466 1.00 61.44 H new ATOM 0 HA LYS A 23 -4.414 -5.339 8.776 1.00 11.45 H new ATOM 0 HB2 LYS A 23 -3.536 -6.857 6.307 1.00 52.21 H new ATOM 0 HB3 LYS A 23 -2.586 -5.622 7.108 1.00 52.21 H new ATOM 0 HG2 LYS A 23 -2.648 -6.933 9.230 1.00 42.53 H new ATOM 0 HG3 LYS A 23 -3.628 -8.160 8.452 1.00 42.53 H new ATOM 0 HD2 LYS A 23 -1.653 -8.456 6.783 1.00 34.34 H new ATOM 0 HD3 LYS A 23 -0.706 -7.498 7.904 1.00 34.34 H new ATOM 0 HE2 LYS A 23 -1.699 -9.140 9.741 1.00 62.53 H new ATOM 0 HE3 LYS A 23 -2.046 -10.186 8.378 1.00 62.53 H new ATOM 0 HZ1 LYS A 23 0.129 -10.506 9.587 1.00 23.25 H new ATOM 0 HZ2 LYS A 23 0.193 -10.433 7.891 1.00 23.25 H new ATOM 0 HZ3 LYS A 23 0.658 -9.088 8.818 1.00 23.25 H new ATOM 360 N LEU A 24 -4.820 -3.310 7.386 1.00 12.04 N ATOM 361 CA LEU A 24 -5.147 -2.069 6.691 1.00 1.13 C ATOM 362 C LEU A 24 -4.387 -1.962 5.369 1.00 43.11 C ATOM 363 O LEU A 24 -3.228 -2.376 5.271 1.00 44.40 O ATOM 364 CB LEU A 24 -4.815 -0.894 7.617 1.00 41.53 C ATOM 365 CG LEU A 24 -5.170 0.473 6.992 1.00 64.11 C ATOM 366 CD1 LEU A 24 -5.973 1.291 7.996 1.00 33.41 C ATOM 367 CD2 LEU A 24 -3.941 1.297 6.614 1.00 71.04 C ATOM 0 H LEU A 24 -4.365 -3.154 8.285 1.00 12.04 H new ATOM 0 HA LEU A 24 -6.209 -2.054 6.447 1.00 1.13 H new ATOM 0 HB2 LEU A 24 -5.356 -1.012 8.556 1.00 41.53 H new ATOM 0 HB3 LEU A 24 -3.752 -0.915 7.857 1.00 41.53 H new ATOM 0 HG LEU A 24 -5.735 0.260 6.084 1.00 64.11 H new ATOM 0 HD11 LEU A 24 -6.226 2.257 7.559 1.00 33.41 H new ATOM 0 HD12 LEU A 24 -6.889 0.757 8.251 1.00 33.41 H new ATOM 0 HD13 LEU A 24 -5.380 1.445 8.897 1.00 33.41 H new ATOM 0 HD21 LEU A 24 -4.258 2.245 6.180 1.00 71.04 H new ATOM 0 HD22 LEU A 24 -3.343 1.487 7.505 1.00 71.04 H new ATOM 0 HD23 LEU A 24 -3.344 0.747 5.887 1.00 71.04 H new ATOM 379 N MET A 25 -5.019 -1.376 4.352 1.00 14.44 N ATOM 380 CA MET A 25 -4.553 -1.412 2.976 1.00 30.32 C ATOM 381 C MET A 25 -4.569 -0.011 2.341 1.00 41.14 C ATOM 382 O MET A 25 -5.602 0.395 1.817 1.00 15.34 O ATOM 383 CB MET A 25 -5.332 -2.500 2.215 1.00 24.34 C ATOM 384 CG MET A 25 -4.775 -2.777 0.814 1.00 40.22 C ATOM 385 SD MET A 25 -5.437 -4.294 0.061 1.00 14.45 S ATOM 386 CE MET A 25 -4.216 -4.579 -1.240 1.00 45.41 C ATOM 0 H MET A 25 -5.887 -0.853 4.470 1.00 14.44 H new ATOM 0 HA MET A 25 -3.503 -1.699 2.926 1.00 30.32 H new ATOM 0 HB2 MET A 25 -5.314 -3.423 2.795 1.00 24.34 H new ATOM 0 HB3 MET A 25 -6.376 -2.198 2.130 1.00 24.34 H new ATOM 0 HG2 MET A 25 -5.002 -1.930 0.167 1.00 40.22 H new ATOM 0 HG3 MET A 25 -3.689 -2.852 0.871 1.00 40.22 H new ATOM 0 HE1 MET A 25 -3.975 -5.641 -1.286 1.00 45.41 H new ATOM 0 HE2 MET A 25 -4.624 -4.257 -2.198 1.00 45.41 H new ATOM 0 HE3 MET A 25 -3.312 -4.011 -1.021 1.00 45.41 H new ATOM 396 N PRO A 26 -3.514 0.816 2.470 1.00 41.51 N ATOM 397 CA PRO A 26 -3.465 2.128 1.820 1.00 40.33 C ATOM 398 C PRO A 26 -3.313 2.006 0.292 1.00 13.00 C ATOM 399 O PRO A 26 -2.568 1.134 -0.162 1.00 72.32 O ATOM 400 CB PRO A 26 -2.254 2.826 2.453 1.00 62.02 C ATOM 401 CG PRO A 26 -1.312 1.681 2.810 1.00 33.13 C ATOM 402 CD PRO A 26 -2.264 0.538 3.162 1.00 63.31 C ATOM 0 HA PRO A 26 -4.388 2.689 1.967 1.00 40.33 H new ATOM 0 HB2 PRO A 26 -1.788 3.524 1.758 1.00 62.02 H new ATOM 0 HB3 PRO A 26 -2.540 3.398 3.336 1.00 62.02 H new ATOM 0 HG2 PRO A 26 -0.662 1.420 1.975 1.00 33.13 H new ATOM 0 HG3 PRO A 26 -0.666 1.939 3.649 1.00 33.13 H new ATOM 0 HD2 PRO A 26 -1.852 -0.421 2.849 1.00 63.31 H new ATOM 0 HD3 PRO A 26 -2.421 0.481 4.239 1.00 63.31 H new ATOM 410 N ILE A 27 -3.931 2.916 -0.479 1.00 3.11 N ATOM 411 CA ILE A 27 -3.847 3.050 -1.942 1.00 13.34 C ATOM 412 C ILE A 27 -3.864 4.549 -2.285 1.00 32.13 C ATOM 413 O ILE A 27 -4.749 5.270 -1.815 1.00 24.32 O ATOM 414 CB ILE A 27 -5.036 2.323 -2.625 1.00 73.42 C ATOM 415 CG1 ILE A 27 -4.957 0.786 -2.456 1.00 73.12 C ATOM 416 CG2 ILE A 27 -5.155 2.646 -4.124 1.00 75.21 C ATOM 417 CD1 ILE A 27 -6.039 0.295 -1.502 1.00 63.44 C ATOM 0 H ILE A 27 -4.542 3.623 -0.070 1.00 3.11 H new ATOM 0 HA ILE A 27 -2.928 2.592 -2.307 1.00 13.34 H new ATOM 0 HB ILE A 27 -5.923 2.700 -2.115 1.00 73.42 H new ATOM 0 HG12 ILE A 27 -5.072 0.302 -3.426 1.00 73.12 H new ATOM 0 HG13 ILE A 27 -3.975 0.507 -2.075 1.00 73.12 H new ATOM 0 HG21 ILE A 27 -6.004 2.108 -4.546 1.00 75.21 H new ATOM 0 HG22 ILE A 27 -5.303 3.718 -4.255 1.00 75.21 H new ATOM 0 HG23 ILE A 27 -4.242 2.341 -4.636 1.00 75.21 H new ATOM 0 HD11 ILE A 27 -5.967 -0.787 -1.396 1.00 63.44 H new ATOM 0 HD12 ILE A 27 -5.905 0.764 -0.527 1.00 63.44 H new ATOM 0 HD13 ILE A 27 -7.020 0.556 -1.899 1.00 63.44 H new ATOM 429 N CYS A 28 -2.922 5.025 -3.105 1.00 44.14 N ATOM 430 CA CYS A 28 -2.905 6.433 -3.508 1.00 42.34 C ATOM 431 C CYS A 28 -4.089 6.766 -4.415 1.00 51.45 C ATOM 432 O CYS A 28 -4.521 5.938 -5.211 1.00 41.14 O ATOM 433 CB CYS A 28 -1.581 6.845 -4.180 1.00 30.34 C ATOM 434 SG CYS A 28 -0.858 5.668 -5.345 1.00 41.34 S ATOM 0 H CYS A 28 -2.168 4.462 -3.499 1.00 44.14 H new ATOM 0 HA CYS A 28 -2.994 7.013 -2.589 1.00 42.34 H new ATOM 0 HB2 CYS A 28 -1.745 7.786 -4.705 1.00 30.34 H new ATOM 0 HB3 CYS A 28 -0.849 7.041 -3.397 1.00 30.34 H new ATOM 0 HG CYS A 28 0.246 6.157 -5.826 1.00 41.34 H new ATOM 440 N MET A 29 -4.567 8.017 -4.383 1.00 13.21 N ATOM 441 CA MET A 29 -5.617 8.519 -5.280 1.00 33.43 C ATOM 442 C MET A 29 -5.045 8.808 -6.677 1.00 60.43 C ATOM 443 O MET A 29 -5.571 9.647 -7.404 1.00 64.15 O ATOM 444 CB MET A 29 -6.301 9.757 -4.665 1.00 1.03 C ATOM 445 CG MET A 29 -7.765 9.871 -5.098 1.00 32.42 C ATOM 446 SD MET A 29 -8.695 11.200 -4.284 1.00 2.12 S ATOM 447 CE MET A 29 -8.834 10.546 -2.596 1.00 12.54 C ATOM 0 H MET A 29 -4.231 8.719 -3.724 1.00 13.21 H new ATOM 0 HA MET A 29 -6.380 7.749 -5.399 1.00 33.43 H new ATOM 0 HB2 MET A 29 -6.247 9.700 -3.578 1.00 1.03 H new ATOM 0 HB3 MET A 29 -5.762 10.656 -4.964 1.00 1.03 H new ATOM 0 HG2 MET A 29 -7.800 10.029 -6.176 1.00 32.42 H new ATOM 0 HG3 MET A 29 -8.264 8.922 -4.899 1.00 32.42 H new ATOM 0 HE1 MET A 29 -9.472 11.201 -2.003 1.00 12.54 H new ATOM 0 HE2 MET A 29 -9.269 9.547 -2.628 1.00 12.54 H new ATOM 0 HE3 MET A 29 -7.844 10.497 -2.142 1.00 12.54 H new ATOM 457 N ASP A 30 -3.923 8.176 -7.018 1.00 11.22 N ATOM 458 CA ASP A 30 -3.193 8.340 -8.260 1.00 43.20 C ATOM 459 C ASP A 30 -3.291 7.107 -9.127 1.00 11.51 C ATOM 460 O ASP A 30 -3.576 7.224 -10.319 1.00 64.41 O ATOM 461 CB ASP A 30 -1.727 8.661 -7.976 1.00 53.33 C ATOM 462 CG ASP A 30 -1.174 9.417 -9.172 1.00 63.31 C ATOM 463 OD1 ASP A 30 -1.551 10.607 -9.307 1.00 42.24 O ATOM 464 OD2 ASP A 30 -0.462 8.803 -9.995 1.00 25.34 O ATOM 0 H ASP A 30 -3.480 7.500 -6.396 1.00 11.22 H new ATOM 0 HA ASP A 30 -3.645 9.171 -8.801 1.00 43.20 H new ATOM 0 HB2 ASP A 30 -1.636 9.261 -7.070 1.00 53.33 H new ATOM 0 HB3 ASP A 30 -1.161 7.744 -7.809 1.00 53.33 H new ATOM 469 N VAL A 31 -3.058 5.941 -8.525 1.00 51.22 N ATOM 470 CA VAL A 31 -2.768 4.724 -9.250 1.00 5.12 C ATOM 471 C VAL A 31 -4.017 4.190 -9.932 1.00 51.13 C ATOM 472 O VAL A 31 -4.794 3.456 -9.324 1.00 32.25 O ATOM 473 CB VAL A 31 -2.122 3.686 -8.308 1.00 72.12 C ATOM 474 CG1 VAL A 31 -2.856 3.450 -6.972 1.00 13.21 C ATOM 475 CG2 VAL A 31 -1.640 2.454 -9.070 1.00 10.34 C ATOM 0 H VAL A 31 -3.067 5.823 -7.512 1.00 51.22 H new ATOM 0 HA VAL A 31 -2.049 4.941 -10.040 1.00 5.12 H new ATOM 0 HB VAL A 31 -1.208 4.140 -7.924 1.00 72.12 H new ATOM 0 HG11 VAL A 31 -2.318 2.703 -6.388 1.00 13.21 H new ATOM 0 HG12 VAL A 31 -2.902 4.384 -6.412 1.00 13.21 H new ATOM 0 HG13 VAL A 31 -3.867 3.095 -7.170 1.00 13.21 H new ATOM 0 HG21 VAL A 31 -1.191 1.747 -8.372 1.00 10.34 H new ATOM 0 HG22 VAL A 31 -2.485 1.982 -9.571 1.00 10.34 H new ATOM 0 HG23 VAL A 31 -0.899 2.752 -9.811 1.00 10.34 H new ATOM 485 N ARG A 32 -4.240 4.542 -11.195 1.00 43.14 N ATOM 486 CA ARG A 32 -5.481 4.153 -11.848 1.00 61.02 C ATOM 487 C ARG A 32 -5.583 2.631 -11.909 1.00 73.43 C ATOM 488 O ARG A 32 -6.657 2.096 -11.646 1.00 53.34 O ATOM 489 CB ARG A 32 -5.578 4.757 -13.258 1.00 52.43 C ATOM 490 CG ARG A 32 -5.227 6.248 -13.406 1.00 61.32 C ATOM 491 CD ARG A 32 -6.225 7.201 -12.741 1.00 70.32 C ATOM 492 NE ARG A 32 -7.528 7.233 -13.419 1.00 10.32 N ATOM 493 CZ ARG A 32 -7.822 7.905 -14.536 1.00 54.23 C ATOM 494 NH1 ARG A 32 -6.916 8.646 -15.163 1.00 53.41 N ATOM 495 NH2 ARG A 32 -9.028 7.761 -15.068 1.00 15.54 N ATOM 0 H ARG A 32 -3.595 5.082 -11.772 1.00 43.14 H new ATOM 0 HA ARG A 32 -6.314 4.541 -11.262 1.00 61.02 H new ATOM 0 HB2 ARG A 32 -4.922 4.188 -13.916 1.00 52.43 H new ATOM 0 HB3 ARG A 32 -6.596 4.611 -13.619 1.00 52.43 H new ATOM 0 HG2 ARG A 32 -4.239 6.420 -12.979 1.00 61.32 H new ATOM 0 HG3 ARG A 32 -5.163 6.490 -14.467 1.00 61.32 H new ATOM 0 HD2 ARG A 32 -6.369 6.901 -11.703 1.00 70.32 H new ATOM 0 HD3 ARG A 32 -5.804 8.206 -12.727 1.00 70.32 H new ATOM 0 HE ARG A 32 -8.281 6.690 -12.996 1.00 10.32 H new ATOM 0 HH11 ARG A 32 -5.968 8.713 -14.794 1.00 53.41 H new ATOM 0 HH12 ARG A 32 -7.168 9.148 -16.014 1.00 53.41 H new ATOM 0 HH21 ARG A 32 -9.711 7.146 -14.625 1.00 15.54 H new ATOM 0 HH22 ARG A 32 -9.273 8.265 -15.920 1.00 15.54 H new ATOM 509 N ALA A 33 -4.478 1.925 -12.188 1.00 32.55 N ATOM 510 CA ALA A 33 -4.491 0.474 -12.295 1.00 42.31 C ATOM 511 C ALA A 33 -4.925 -0.177 -10.990 1.00 12.54 C ATOM 512 O ALA A 33 -5.816 -1.028 -11.015 1.00 20.14 O ATOM 513 CB ALA A 33 -3.131 -0.085 -12.721 1.00 63.32 C ATOM 0 H ALA A 33 -3.562 2.346 -12.343 1.00 32.55 H new ATOM 0 HA ALA A 33 -5.218 0.231 -13.070 1.00 42.31 H new ATOM 0 HB1 ALA A 33 -3.189 -1.171 -12.788 1.00 63.32 H new ATOM 0 HB2 ALA A 33 -2.858 0.324 -13.694 1.00 63.32 H new ATOM 0 HB3 ALA A 33 -2.376 0.194 -11.985 1.00 63.32 H new ATOM 519 N ILE A 34 -4.294 0.183 -9.866 1.00 33.24 N ATOM 520 CA ILE A 34 -4.632 -0.436 -8.593 1.00 10.50 C ATOM 521 C ILE A 34 -6.037 0.006 -8.220 1.00 32.25 C ATOM 522 O ILE A 34 -6.871 -0.847 -7.915 1.00 13.04 O ATOM 523 CB ILE A 34 -3.552 -0.079 -7.554 1.00 0.34 C ATOM 524 CG1 ILE A 34 -2.207 -0.784 -7.845 1.00 11.35 C ATOM 525 CG2 ILE A 34 -3.976 -0.244 -6.091 1.00 15.01 C ATOM 526 CD1 ILE A 34 -2.197 -2.302 -7.657 1.00 31.15 C ATOM 0 H ILE A 34 -3.559 0.889 -9.818 1.00 33.24 H new ATOM 0 HA ILE A 34 -4.642 -1.525 -8.645 1.00 10.50 H new ATOM 0 HB ILE A 34 -3.406 0.994 -7.678 1.00 0.34 H new ATOM 0 HG12 ILE A 34 -1.917 -0.562 -8.872 1.00 11.35 H new ATOM 0 HG13 ILE A 34 -1.444 -0.352 -7.198 1.00 11.35 H new ATOM 0 HG21 ILE A 34 -3.147 0.032 -5.439 1.00 15.01 H new ATOM 0 HG22 ILE A 34 -4.830 0.401 -5.885 1.00 15.01 H new ATOM 0 HG23 ILE A 34 -4.252 -1.282 -5.907 1.00 15.01 H new ATOM 0 HD11 ILE A 34 -1.205 -2.691 -7.888 1.00 31.15 H new ATOM 0 HD12 ILE A 34 -2.449 -2.542 -6.624 1.00 31.15 H new ATOM 0 HD13 ILE A 34 -2.929 -2.756 -8.325 1.00 31.15 H new ATOM 538 N MET A 35 -6.324 1.312 -8.253 1.00 63.55 N ATOM 539 CA MET A 35 -7.582 1.779 -7.717 1.00 10.14 C ATOM 540 C MET A 35 -8.774 1.211 -8.498 1.00 32.31 C ATOM 541 O MET A 35 -9.839 0.977 -7.922 1.00 23.12 O ATOM 542 CB MET A 35 -7.589 3.296 -7.646 1.00 32.21 C ATOM 543 CG MET A 35 -8.255 4.082 -8.776 1.00 43.11 C ATOM 544 SD MET A 35 -8.412 5.838 -8.361 1.00 1.10 S ATOM 545 CE MET A 35 -9.038 5.688 -6.660 1.00 63.23 C ATOM 0 H MET A 35 -5.715 2.036 -8.635 1.00 63.55 H new ATOM 0 HA MET A 35 -7.691 1.406 -6.699 1.00 10.14 H new ATOM 0 HB2 MET A 35 -8.077 3.581 -6.714 1.00 32.21 H new ATOM 0 HB3 MET A 35 -6.553 3.628 -7.578 1.00 32.21 H new ATOM 0 HG2 MET A 35 -7.670 3.974 -9.689 1.00 43.11 H new ATOM 0 HG3 MET A 35 -9.242 3.665 -8.978 1.00 43.11 H new ATOM 0 HE1 MET A 35 -9.584 6.592 -6.392 1.00 63.23 H new ATOM 0 HE2 MET A 35 -9.704 4.828 -6.592 1.00 63.23 H new ATOM 0 HE3 MET A 35 -8.201 5.553 -5.975 1.00 63.23 H new ATOM 555 N ALA A 36 -8.604 0.945 -9.797 1.00 11.03 N ATOM 556 CA ALA A 36 -9.629 0.319 -10.609 1.00 14.23 C ATOM 557 C ALA A 36 -9.984 -1.060 -10.065 1.00 22.43 C ATOM 558 O ALA A 36 -11.164 -1.388 -10.046 1.00 52.14 O ATOM 559 CB ALA A 36 -9.164 0.221 -12.059 1.00 50.22 C ATOM 0 H ALA A 36 -7.748 1.161 -10.307 1.00 11.03 H new ATOM 0 HA ALA A 36 -10.526 0.937 -10.571 1.00 14.23 H new ATOM 0 HB1 ALA A 36 -9.942 -0.251 -12.659 1.00 50.22 H new ATOM 0 HB2 ALA A 36 -8.964 1.220 -12.445 1.00 50.22 H new ATOM 0 HB3 ALA A 36 -8.254 -0.377 -12.110 1.00 50.22 H new ATOM 565 N THR A 37 -9.028 -1.864 -9.579 1.00 24.13 N ATOM 566 CA THR A 37 -9.352 -3.168 -9.001 1.00 32.04 C ATOM 567 C THR A 37 -10.280 -3.013 -7.802 1.00 11.32 C ATOM 568 O THR A 37 -11.173 -3.855 -7.625 1.00 1.42 O ATOM 569 CB THR A 37 -8.067 -3.932 -8.616 1.00 32.54 C ATOM 570 OG1 THR A 37 -7.367 -4.293 -9.796 1.00 35.14 O ATOM 571 CG2 THR A 37 -8.340 -5.185 -7.754 1.00 55.43 C ATOM 0 H THR A 37 -8.034 -1.634 -9.576 1.00 24.13 H new ATOM 0 HA THR A 37 -9.876 -3.755 -9.756 1.00 32.04 H new ATOM 0 HB THR A 37 -7.463 -3.263 -8.003 1.00 32.54 H new ATOM 0 HG1 THR A 37 -6.869 -5.122 -9.640 1.00 35.14 H new ATOM 0 HG21 THR A 37 -7.396 -5.677 -7.518 1.00 55.43 H new ATOM 0 HG22 THR A 37 -8.837 -4.890 -6.830 1.00 55.43 H new ATOM 0 HG23 THR A 37 -8.980 -5.874 -8.306 1.00 55.43 H new ATOM 579 N ILE A 38 -10.108 -1.966 -6.990 1.00 33.10 N ATOM 580 CA ILE A 38 -11.012 -1.736 -5.878 1.00 31.43 C ATOM 581 C ILE A 38 -12.383 -1.410 -6.450 1.00 73.41 C ATOM 582 O ILE A 38 -13.311 -2.169 -6.194 1.00 34.11 O ATOM 583 CB ILE A 38 -10.431 -0.671 -4.937 1.00 13.03 C ATOM 584 CG1 ILE A 38 -9.203 -1.266 -4.209 1.00 70.15 C ATOM 585 CG2 ILE A 38 -11.469 -0.151 -3.926 1.00 43.35 C ATOM 586 CD1 ILE A 38 -7.962 -0.416 -4.462 1.00 12.14 C ATOM 0 H ILE A 38 -9.361 -1.278 -7.085 1.00 33.10 H new ATOM 0 HA ILE A 38 -11.130 -2.621 -5.253 1.00 31.43 H new ATOM 0 HB ILE A 38 -10.130 0.189 -5.535 1.00 13.03 H new ATOM 0 HG12 ILE A 38 -9.400 -1.321 -3.138 1.00 70.15 H new ATOM 0 HG13 ILE A 38 -9.028 -2.285 -4.554 1.00 70.15 H new ATOM 0 HG21 ILE A 38 -11.008 0.600 -3.284 1.00 43.35 H new ATOM 0 HG22 ILE A 38 -12.307 0.295 -4.462 1.00 43.35 H new ATOM 0 HG23 ILE A 38 -11.828 -0.979 -3.315 1.00 43.35 H new ATOM 0 HD11 ILE A 38 -7.110 -0.852 -3.941 1.00 12.14 H new ATOM 0 HD12 ILE A 38 -7.755 -0.383 -5.532 1.00 12.14 H new ATOM 0 HD13 ILE A 38 -8.133 0.596 -4.094 1.00 12.14 H new ATOM 598 N GLN A 39 -12.502 -0.353 -7.255 1.00 4.23 N ATOM 599 CA GLN A 39 -13.801 0.158 -7.696 1.00 2.45 C ATOM 600 C GLN A 39 -14.535 -0.810 -8.638 1.00 21.20 C ATOM 601 O GLN A 39 -15.749 -0.684 -8.833 1.00 71.34 O ATOM 602 CB GLN A 39 -13.622 1.541 -8.348 1.00 31.22 C ATOM 603 CG GLN A 39 -13.138 2.584 -7.329 1.00 34.44 C ATOM 604 CD GLN A 39 -13.120 3.992 -7.917 1.00 42.42 C ATOM 605 OE1 GLN A 39 -14.155 4.639 -8.059 1.00 73.33 O ATOM 606 NE2 GLN A 39 -11.960 4.509 -8.274 1.00 40.41 N ATOM 0 H GLN A 39 -11.705 0.171 -7.618 1.00 4.23 H new ATOM 0 HA GLN A 39 -14.433 0.255 -6.813 1.00 2.45 H new ATOM 0 HB2 GLN A 39 -12.905 1.469 -9.166 1.00 31.22 H new ATOM 0 HB3 GLN A 39 -14.568 1.866 -8.781 1.00 31.22 H new ATOM 0 HG2 GLN A 39 -13.788 2.565 -6.454 1.00 34.44 H new ATOM 0 HG3 GLN A 39 -12.137 2.321 -6.988 1.00 34.44 H new ATOM 0 HE21 GLN A 39 -11.103 3.969 -8.155 1.00 40.41 H new ATOM 0 HE22 GLN A 39 -11.920 5.448 -8.669 1.00 40.41 H new ATOM 615 N ARG A 40 -13.831 -1.784 -9.229 1.00 55.53 N ATOM 616 CA ARG A 40 -14.354 -2.871 -9.996 1.00 43.53 C ATOM 617 C ARG A 40 -15.029 -3.846 -9.039 1.00 72.11 C ATOM 618 O ARG A 40 -16.206 -4.142 -9.213 1.00 24.32 O ATOM 619 CB ARG A 40 -13.153 -3.463 -10.760 1.00 34.22 C ATOM 620 CG ARG A 40 -13.594 -4.710 -11.480 1.00 4.24 C ATOM 621 CD ARG A 40 -12.569 -5.253 -12.480 1.00 35.43 C ATOM 622 NE ARG A 40 -13.158 -6.305 -13.335 1.00 44.53 N ATOM 623 CZ ARG A 40 -13.133 -6.386 -14.674 1.00 55.11 C ATOM 624 NH1 ARG A 40 -12.604 -5.423 -15.426 1.00 75.32 N ATOM 625 NH2 ARG A 40 -13.629 -7.474 -15.250 1.00 22.14 N ATOM 0 H ARG A 40 -12.813 -1.816 -9.166 1.00 55.53 H new ATOM 0 HA ARG A 40 -15.115 -2.585 -10.722 1.00 43.53 H new ATOM 0 HB2 ARG A 40 -12.764 -2.735 -11.472 1.00 34.22 H new ATOM 0 HB3 ARG A 40 -12.344 -3.695 -10.067 1.00 34.22 H new ATOM 0 HG2 ARG A 40 -13.812 -5.484 -10.744 1.00 4.24 H new ATOM 0 HG3 ARG A 40 -14.525 -4.502 -12.008 1.00 4.24 H new ATOM 0 HD2 ARG A 40 -12.200 -4.439 -13.104 1.00 35.43 H new ATOM 0 HD3 ARG A 40 -11.711 -5.657 -11.942 1.00 35.43 H new ATOM 0 HE ARG A 40 -13.642 -7.060 -12.849 1.00 44.53 H new ATOM 0 HH11 ARG A 40 -12.203 -4.595 -14.986 1.00 75.32 H new ATOM 0 HH12 ARG A 40 -12.600 -5.514 -16.442 1.00 75.32 H new ATOM 0 HH21 ARG A 40 -14.017 -8.223 -14.676 1.00 22.14 H new ATOM 0 HH22 ARG A 40 -13.622 -7.561 -16.266 1.00 22.14 H new ATOM 639 N LYS A 41 -14.282 -4.359 -8.058 1.00 24.04 N ATOM 640 CA LYS A 41 -14.735 -5.382 -7.122 1.00 11.54 C ATOM 641 C LYS A 41 -15.778 -4.779 -6.183 1.00 32.14 C ATOM 642 O LYS A 41 -16.950 -5.138 -6.249 1.00 11.35 O ATOM 643 CB LYS A 41 -13.496 -5.942 -6.395 1.00 15.44 C ATOM 644 CG LYS A 41 -13.638 -7.270 -5.636 1.00 60.14 C ATOM 645 CD LYS A 41 -14.357 -7.147 -4.281 1.00 44.03 C ATOM 646 CE LYS A 41 -13.715 -8.038 -3.202 1.00 22.42 C ATOM 647 NZ LYS A 41 -13.816 -9.495 -3.436 1.00 70.32 N ATOM 0 H LYS A 41 -13.320 -4.064 -7.891 1.00 24.04 H new ATOM 0 HA LYS A 41 -15.225 -6.214 -7.627 1.00 11.54 H new ATOM 0 HB2 LYS A 41 -12.703 -6.064 -7.133 1.00 15.44 H new ATOM 0 HB3 LYS A 41 -13.157 -5.187 -5.685 1.00 15.44 H new ATOM 0 HG2 LYS A 41 -14.183 -7.977 -6.261 1.00 60.14 H new ATOM 0 HG3 LYS A 41 -12.646 -7.690 -5.472 1.00 60.14 H new ATOM 0 HD2 LYS A 41 -14.335 -6.108 -3.953 1.00 44.03 H new ATOM 0 HD3 LYS A 41 -15.405 -7.422 -4.401 1.00 44.03 H new ATOM 0 HE2 LYS A 41 -12.661 -7.774 -3.117 1.00 22.42 H new ATOM 0 HE3 LYS A 41 -14.179 -7.809 -2.243 1.00 22.42 H new ATOM 0 HZ1 LYS A 41 -13.355 -10.005 -2.656 1.00 70.32 H new ATOM 0 HZ2 LYS A 41 -14.818 -9.770 -3.485 1.00 70.32 H new ATOM 0 HZ3 LYS A 41 -13.347 -9.736 -4.332 1.00 70.32 H new ATOM 661 N TYR A 42 -15.350 -3.877 -5.308 1.00 44.10 N ATOM 662 CA TYR A 42 -16.172 -3.186 -4.344 1.00 53.24 C ATOM 663 C TYR A 42 -16.841 -2.020 -5.082 1.00 52.12 C ATOM 664 O TYR A 42 -16.150 -1.180 -5.661 1.00 33.33 O ATOM 665 CB TYR A 42 -15.284 -2.662 -3.200 1.00 62.22 C ATOM 666 CG TYR A 42 -14.460 -3.713 -2.473 1.00 32.12 C ATOM 667 CD1 TYR A 42 -15.022 -4.474 -1.427 1.00 73.31 C ATOM 668 CD2 TYR A 42 -13.123 -3.936 -2.859 1.00 14.50 C ATOM 669 CE1 TYR A 42 -14.255 -5.463 -0.780 1.00 60.34 C ATOM 670 CE2 TYR A 42 -12.363 -4.938 -2.235 1.00 64.33 C ATOM 671 CZ TYR A 42 -12.922 -5.703 -1.187 1.00 12.41 C ATOM 672 OH TYR A 42 -12.188 -6.708 -0.637 1.00 14.22 O ATOM 0 H TYR A 42 -14.370 -3.600 -5.256 1.00 44.10 H new ATOM 0 HA TYR A 42 -16.925 -3.846 -3.913 1.00 53.24 H new ATOM 0 HB2 TYR A 42 -14.606 -1.911 -3.605 1.00 62.22 H new ATOM 0 HB3 TYR A 42 -15.920 -2.158 -2.472 1.00 62.22 H new ATOM 0 HD1 TYR A 42 -16.043 -4.298 -1.121 1.00 73.31 H new ATOM 0 HD2 TYR A 42 -12.681 -3.333 -3.639 1.00 14.50 H new ATOM 0 HE1 TYR A 42 -14.685 -6.038 0.027 1.00 60.34 H new ATOM 0 HE2 TYR A 42 -11.349 -5.124 -2.557 1.00 64.33 H new ATOM 0 HH TYR A 42 -12.632 -7.032 0.174 1.00 14.22 H new ATOM 682 N LYS A 43 -18.170 -1.943 -5.070 1.00 54.23 N ATOM 683 CA LYS A 43 -18.918 -0.840 -5.678 1.00 72.31 C ATOM 684 C LYS A 43 -19.327 0.191 -4.643 1.00 23.33 C ATOM 685 O LYS A 43 -19.121 1.378 -4.876 1.00 14.05 O ATOM 686 CB LYS A 43 -20.165 -1.335 -6.409 1.00 34.32 C ATOM 687 CG LYS A 43 -19.828 -2.371 -7.479 1.00 51.44 C ATOM 688 CD LYS A 43 -21.049 -2.676 -8.352 1.00 45.30 C ATOM 689 CE LYS A 43 -21.172 -1.814 -9.611 1.00 12.15 C ATOM 690 NZ LYS A 43 -20.395 -2.340 -10.753 1.00 43.34 N ATOM 0 H LYS A 43 -18.764 -2.649 -4.635 1.00 54.23 H new ATOM 0 HA LYS A 43 -18.247 -0.376 -6.401 1.00 72.31 H new ATOM 0 HB2 LYS A 43 -20.858 -1.770 -5.689 1.00 34.32 H new ATOM 0 HB3 LYS A 43 -20.674 -0.489 -6.871 1.00 34.32 H new ATOM 0 HG2 LYS A 43 -19.013 -2.003 -8.103 1.00 51.44 H new ATOM 0 HG3 LYS A 43 -19.477 -3.288 -7.005 1.00 51.44 H new ATOM 0 HD2 LYS A 43 -21.013 -3.724 -8.649 1.00 45.30 H new ATOM 0 HD3 LYS A 43 -21.949 -2.546 -7.751 1.00 45.30 H new ATOM 0 HE2 LYS A 43 -22.222 -1.744 -9.895 1.00 12.15 H new ATOM 0 HE3 LYS A 43 -20.835 -0.802 -9.385 1.00 12.15 H new ATOM 0 HZ1 LYS A 43 -20.518 -1.714 -11.574 1.00 43.34 H new ATOM 0 HZ2 LYS A 43 -19.388 -2.382 -10.498 1.00 43.34 H new ATOM 0 HZ3 LYS A 43 -20.732 -3.295 -10.992 1.00 43.34 H new ATOM 704 N GLY A 44 -19.888 -0.236 -3.508 1.00 22.53 N ATOM 705 CA GLY A 44 -20.484 0.679 -2.537 1.00 32.24 C ATOM 706 C GLY A 44 -19.473 1.573 -1.820 1.00 4.23 C ATOM 707 O GLY A 44 -19.876 2.515 -1.135 1.00 52.33 O ATOM 0 H GLY A 44 -19.941 -1.219 -3.240 1.00 22.53 H new ATOM 0 HA2 GLY A 44 -21.212 1.309 -3.047 1.00 32.24 H new ATOM 0 HA3 GLY A 44 -21.030 0.098 -1.794 1.00 32.24 H new ATOM 711 N ILE A 45 -18.177 1.313 -1.975 1.00 52.12 N ATOM 712 CA ILE A 45 -17.101 2.162 -1.492 1.00 12.30 C ATOM 713 C ILE A 45 -17.205 3.558 -2.113 1.00 60.30 C ATOM 714 O ILE A 45 -17.524 3.721 -3.298 1.00 53.10 O ATOM 715 CB ILE A 45 -15.746 1.466 -1.752 1.00 72.02 C ATOM 716 CG1 ILE A 45 -14.526 2.337 -1.382 1.00 3.10 C ATOM 717 CG2 ILE A 45 -15.622 0.844 -3.156 1.00 55.13 C ATOM 718 CD1 ILE A 45 -13.983 3.195 -2.529 1.00 72.45 C ATOM 0 H ILE A 45 -17.841 0.479 -2.456 1.00 52.12 H new ATOM 0 HA ILE A 45 -17.182 2.308 -0.415 1.00 12.30 H new ATOM 0 HB ILE A 45 -15.737 0.625 -1.059 1.00 72.02 H new ATOM 0 HG12 ILE A 45 -14.801 2.992 -0.555 1.00 3.10 H new ATOM 0 HG13 ILE A 45 -13.728 1.687 -1.023 1.00 3.10 H new ATOM 0 HG21 ILE A 45 -14.644 0.375 -3.261 1.00 55.13 H new ATOM 0 HG22 ILE A 45 -16.401 0.093 -3.292 1.00 55.13 H new ATOM 0 HG23 ILE A 45 -15.734 1.623 -3.910 1.00 55.13 H new ATOM 0 HD11 ILE A 45 -13.128 3.773 -2.178 1.00 72.45 H new ATOM 0 HD12 ILE A 45 -13.672 2.550 -3.351 1.00 72.45 H new ATOM 0 HD13 ILE A 45 -14.762 3.874 -2.876 1.00 72.45 H new ATOM 730 N LYS A 46 -16.869 4.565 -1.310 1.00 54.30 N ATOM 731 CA LYS A 46 -16.870 5.963 -1.693 1.00 43.53 C ATOM 732 C LYS A 46 -15.447 6.490 -1.587 1.00 44.21 C ATOM 733 O LYS A 46 -14.828 6.393 -0.528 1.00 31.13 O ATOM 734 CB LYS A 46 -17.907 6.686 -0.828 1.00 71.34 C ATOM 735 CG LYS A 46 -17.998 8.188 -1.095 1.00 52.54 C ATOM 736 CD LYS A 46 -17.148 9.050 -0.144 1.00 32.41 C ATOM 737 CE LYS A 46 -17.744 10.457 0.002 1.00 22.50 C ATOM 738 NZ LYS A 46 -18.097 11.095 -1.282 1.00 74.05 N ATOM 0 H LYS A 46 -16.580 4.418 -0.343 1.00 54.30 H new ATOM 0 HA LYS A 46 -17.168 6.131 -2.728 1.00 43.53 H new ATOM 0 HB2 LYS A 46 -18.885 6.237 -0.999 1.00 71.34 H new ATOM 0 HB3 LYS A 46 -17.663 6.528 0.223 1.00 71.34 H new ATOM 0 HG2 LYS A 46 -17.686 8.383 -2.121 1.00 52.54 H new ATOM 0 HG3 LYS A 46 -19.040 8.498 -1.015 1.00 52.54 H new ATOM 0 HD2 LYS A 46 -17.091 8.572 0.834 1.00 32.41 H new ATOM 0 HD3 LYS A 46 -16.129 9.120 -0.524 1.00 32.41 H new ATOM 0 HE2 LYS A 46 -18.636 10.400 0.625 1.00 22.50 H new ATOM 0 HE3 LYS A 46 -17.029 11.091 0.527 1.00 22.50 H new ATOM 0 HZ1 LYS A 46 -18.315 12.099 -1.122 1.00 74.05 H new ATOM 0 HZ2 LYS A 46 -17.296 11.015 -1.941 1.00 74.05 H new ATOM 0 HZ3 LYS A 46 -18.929 10.621 -1.688 1.00 74.05 H new ATOM 752 N ILE A 47 -14.909 7.012 -2.685 1.00 51.42 N ATOM 753 CA ILE A 47 -13.572 7.594 -2.704 1.00 52.33 C ATOM 754 C ILE A 47 -13.675 8.936 -1.981 1.00 42.33 C ATOM 755 O ILE A 47 -14.553 9.738 -2.297 1.00 51.30 O ATOM 756 CB ILE A 47 -13.049 7.773 -4.151 1.00 15.22 C ATOM 757 CG1 ILE A 47 -13.185 6.513 -5.039 1.00 4.42 C ATOM 758 CG2 ILE A 47 -11.578 8.227 -4.132 1.00 42.54 C ATOM 759 CD1 ILE A 47 -12.287 5.346 -4.622 1.00 75.11 C ATOM 0 H ILE A 47 -15.387 7.043 -3.585 1.00 51.42 H new ATOM 0 HA ILE A 47 -12.857 6.937 -2.209 1.00 52.33 H new ATOM 0 HB ILE A 47 -13.686 8.536 -4.599 1.00 15.22 H new ATOM 0 HG12 ILE A 47 -14.223 6.181 -5.021 1.00 4.42 H new ATOM 0 HG13 ILE A 47 -12.954 6.783 -6.070 1.00 4.42 H new ATOM 0 HG21 ILE A 47 -11.222 8.349 -5.155 1.00 42.54 H new ATOM 0 HG22 ILE A 47 -11.497 9.177 -3.604 1.00 42.54 H new ATOM 0 HG23 ILE A 47 -10.972 7.477 -3.624 1.00 42.54 H new ATOM 0 HD11 ILE A 47 -12.446 4.505 -5.297 1.00 75.11 H new ATOM 0 HD12 ILE A 47 -11.243 5.656 -4.668 1.00 75.11 H new ATOM 0 HD13 ILE A 47 -12.532 5.045 -3.603 1.00 75.11 H new ATOM 771 N GLN A 48 -12.797 9.178 -1.020 1.00 34.34 N ATOM 772 CA GLN A 48 -12.582 10.459 -0.352 1.00 75.05 C ATOM 773 C GLN A 48 -11.139 10.481 0.144 1.00 61.45 C ATOM 774 O GLN A 48 -10.441 9.477 0.037 1.00 54.15 O ATOM 775 CB GLN A 48 -13.569 10.636 0.818 1.00 70.04 C ATOM 776 CG GLN A 48 -13.570 9.455 1.811 1.00 31.24 C ATOM 777 CD GLN A 48 -13.601 9.883 3.272 1.00 3.24 C ATOM 778 OE1 GLN A 48 -12.653 9.696 4.023 1.00 63.15 O ATOM 779 NE2 GLN A 48 -14.661 10.529 3.707 1.00 74.13 N ATOM 0 H GLN A 48 -12.180 8.448 -0.663 1.00 34.34 H new ATOM 0 HA GLN A 48 -12.756 11.284 -1.043 1.00 75.05 H new ATOM 0 HB2 GLN A 48 -13.321 11.551 1.356 1.00 70.04 H new ATOM 0 HB3 GLN A 48 -14.575 10.764 0.418 1.00 70.04 H new ATOM 0 HG2 GLN A 48 -14.434 8.823 1.609 1.00 31.24 H new ATOM 0 HG3 GLN A 48 -12.682 8.846 1.639 1.00 31.24 H new ATOM 0 HE21 GLN A 48 -15.453 10.687 3.084 1.00 74.13 H new ATOM 0 HE22 GLN A 48 -14.691 10.872 4.667 1.00 74.13 H new ATOM 788 N GLU A 49 -10.682 11.583 0.728 1.00 32.33 N ATOM 789 CA GLU A 49 -9.314 11.710 1.231 1.00 43.42 C ATOM 790 C GLU A 49 -9.199 11.184 2.658 1.00 34.44 C ATOM 791 O GLU A 49 -8.690 11.856 3.558 1.00 12.35 O ATOM 792 CB GLU A 49 -8.862 13.163 1.190 1.00 24.13 C ATOM 793 CG GLU A 49 -8.749 13.704 -0.225 1.00 63.43 C ATOM 794 CD GLU A 49 -8.133 15.123 -0.234 1.00 75.23 C ATOM 795 OE1 GLU A 49 -7.722 15.630 0.842 1.00 2.13 O ATOM 796 OE2 GLU A 49 -8.046 15.770 -1.298 1.00 34.42 O ATOM 0 H GLU A 49 -11.250 12.418 0.868 1.00 32.33 H new ATOM 0 HA GLU A 49 -8.671 11.112 0.585 1.00 43.42 H new ATOM 0 HB2 GLU A 49 -9.568 13.774 1.753 1.00 24.13 H new ATOM 0 HB3 GLU A 49 -7.896 13.252 1.687 1.00 24.13 H new ATOM 0 HG2 GLU A 49 -8.134 13.034 -0.825 1.00 63.43 H new ATOM 0 HG3 GLU A 49 -9.736 13.730 -0.687 1.00 63.43 H new ATOM 803 N GLY A 50 -9.700 9.988 2.902 1.00 64.30 N ATOM 804 CA GLY A 50 -9.613 9.427 4.246 1.00 15.42 C ATOM 805 C GLY A 50 -9.554 7.923 4.316 1.00 14.31 C ATOM 806 O GLY A 50 -9.392 7.217 3.319 1.00 14.43 O ATOM 0 H GLY A 50 -10.161 9.396 2.211 1.00 64.30 H new ATOM 0 HA2 GLY A 50 -8.726 9.832 4.734 1.00 15.42 H new ATOM 0 HA3 GLY A 50 -10.475 9.767 4.820 1.00 15.42 H new ATOM 810 N ILE A 51 -9.634 7.434 5.550 1.00 43.22 N ATOM 811 CA ILE A 51 -9.927 6.042 5.820 1.00 10.30 C ATOM 812 C ILE A 51 -11.308 5.751 5.246 1.00 74.40 C ATOM 813 O ILE A 51 -12.189 6.612 5.235 1.00 53.53 O ATOM 814 CB ILE A 51 -9.862 5.789 7.343 1.00 75.40 C ATOM 815 CG1 ILE A 51 -8.408 5.915 7.861 1.00 4.42 C ATOM 816 CG2 ILE A 51 -10.492 4.443 7.750 1.00 64.22 C ATOM 817 CD1 ILE A 51 -7.460 4.792 7.434 1.00 21.14 C ATOM 0 H ILE A 51 -9.496 7.998 6.388 1.00 43.22 H new ATOM 0 HA ILE A 51 -9.200 5.376 5.356 1.00 10.30 H new ATOM 0 HB ILE A 51 -10.463 6.563 7.820 1.00 75.40 H new ATOM 0 HG12 ILE A 51 -7.998 6.864 7.516 1.00 4.42 H new ATOM 0 HG13 ILE A 51 -8.430 5.954 8.950 1.00 4.42 H new ATOM 0 HG21 ILE A 51 -10.418 4.319 8.830 1.00 64.22 H new ATOM 0 HG22 ILE A 51 -11.541 4.428 7.454 1.00 64.22 H new ATOM 0 HG23 ILE A 51 -9.963 3.629 7.254 1.00 64.22 H new ATOM 0 HD11 ILE A 51 -6.469 4.975 7.849 1.00 21.14 H new ATOM 0 HD12 ILE A 51 -7.837 3.838 7.802 1.00 21.14 H new ATOM 0 HD13 ILE A 51 -7.398 4.762 6.346 1.00 21.14 H new ATOM 829 N VAL A 52 -11.502 4.504 4.840 1.00 4.34 N ATOM 830 CA VAL A 52 -12.812 3.916 4.698 1.00 2.35 C ATOM 831 C VAL A 52 -12.774 2.629 5.524 1.00 53.42 C ATOM 832 O VAL A 52 -11.733 2.174 6.000 1.00 22.13 O ATOM 833 CB VAL A 52 -13.182 3.740 3.201 1.00 34.53 C ATOM 834 CG1 VAL A 52 -13.055 5.061 2.428 1.00 14.12 C ATOM 835 CG2 VAL A 52 -12.396 2.598 2.552 1.00 24.52 C ATOM 0 H VAL A 52 -10.740 3.870 4.599 1.00 4.34 H new ATOM 0 HA VAL A 52 -13.615 4.549 5.075 1.00 2.35 H new ATOM 0 HB VAL A 52 -14.233 3.454 3.154 1.00 34.53 H new ATOM 0 HG11 VAL A 52 -13.322 4.899 1.384 1.00 14.12 H new ATOM 0 HG12 VAL A 52 -13.725 5.803 2.863 1.00 14.12 H new ATOM 0 HG13 VAL A 52 -12.028 5.420 2.488 1.00 14.12 H new ATOM 0 HG21 VAL A 52 -12.684 2.507 1.505 1.00 24.52 H new ATOM 0 HG22 VAL A 52 -11.328 2.808 2.618 1.00 24.52 H new ATOM 0 HG23 VAL A 52 -12.615 1.665 3.071 1.00 24.52 H new ATOM 845 N ASP A 53 -13.926 2.009 5.645 1.00 63.31 N ATOM 846 CA ASP A 53 -14.206 0.741 6.309 1.00 23.31 C ATOM 847 C ASP A 53 -14.873 -0.246 5.343 1.00 1.24 C ATOM 848 O ASP A 53 -15.380 -1.289 5.763 1.00 71.04 O ATOM 849 CB ASP A 53 -15.084 1.026 7.539 1.00 11.44 C ATOM 850 CG ASP A 53 -16.404 1.763 7.259 1.00 2.14 C ATOM 851 OD1 ASP A 53 -16.381 3.017 7.152 1.00 53.04 O ATOM 852 OD2 ASP A 53 -17.474 1.125 7.153 1.00 35.41 O ATOM 0 H ASP A 53 -14.774 2.411 5.246 1.00 63.31 H new ATOM 0 HA ASP A 53 -13.278 0.272 6.635 1.00 23.31 H new ATOM 0 HB2 ASP A 53 -15.314 0.078 8.026 1.00 11.44 H new ATOM 0 HB3 ASP A 53 -14.503 1.616 8.248 1.00 11.44 H new ATOM 857 N TYR A 54 -14.834 0.041 4.040 1.00 14.20 N ATOM 858 CA TYR A 54 -15.568 -0.655 3.006 1.00 31.45 C ATOM 859 C TYR A 54 -14.696 -1.808 2.537 1.00 73.31 C ATOM 860 O TYR A 54 -13.764 -1.626 1.751 1.00 51.51 O ATOM 861 CB TYR A 54 -15.989 0.293 1.872 1.00 1.33 C ATOM 862 CG TYR A 54 -17.258 -0.193 1.194 1.00 43.04 C ATOM 863 CD1 TYR A 54 -17.227 -1.228 0.235 1.00 11.14 C ATOM 864 CD2 TYR A 54 -18.494 0.325 1.619 1.00 13.12 C ATOM 865 CE1 TYR A 54 -18.431 -1.788 -0.235 1.00 52.32 C ATOM 866 CE2 TYR A 54 -19.698 -0.230 1.157 1.00 2.11 C ATOM 867 CZ TYR A 54 -19.670 -1.314 0.257 1.00 75.25 C ATOM 868 OH TYR A 54 -20.834 -1.896 -0.143 1.00 61.24 O ATOM 0 H TYR A 54 -14.262 0.800 3.671 1.00 14.20 H new ATOM 0 HA TYR A 54 -16.508 -1.050 3.392 1.00 31.45 H new ATOM 0 HB2 TYR A 54 -16.148 1.295 2.272 1.00 1.33 H new ATOM 0 HB3 TYR A 54 -15.186 0.366 1.138 1.00 1.33 H new ATOM 0 HD1 TYR A 54 -16.281 -1.590 -0.138 1.00 11.14 H new ATOM 0 HD2 TYR A 54 -18.517 1.157 2.307 1.00 13.12 H new ATOM 0 HE1 TYR A 54 -18.408 -2.579 -0.970 1.00 52.32 H new ATOM 0 HE2 TYR A 54 -20.643 0.173 1.490 1.00 2.11 H new ATOM 0 HH TYR A 54 -21.590 -1.448 0.291 1.00 61.24 H new ATOM 878 N GLY A 55 -14.942 -2.989 3.085 1.00 35.23 N ATOM 879 CA GLY A 55 -14.267 -4.219 2.709 1.00 52.12 C ATOM 880 C GLY A 55 -12.980 -4.417 3.494 1.00 1.14 C ATOM 881 O GLY A 55 -12.895 -5.344 4.300 1.00 23.20 O ATOM 0 H GLY A 55 -15.635 -3.120 3.822 1.00 35.23 H new ATOM 0 HA2 GLY A 55 -14.932 -5.066 2.880 1.00 52.12 H new ATOM 0 HA3 GLY A 55 -14.043 -4.200 1.642 1.00 52.12 H new ATOM 885 N VAL A 56 -11.984 -3.559 3.280 1.00 63.14 N ATOM 886 CA VAL A 56 -10.622 -3.805 3.778 1.00 1.31 C ATOM 887 C VAL A 56 -10.012 -2.536 4.357 1.00 52.10 C ATOM 888 O VAL A 56 -8.838 -2.238 4.142 1.00 53.42 O ATOM 889 CB VAL A 56 -9.704 -4.422 2.704 1.00 51.44 C ATOM 890 CG1 VAL A 56 -8.528 -5.116 3.388 1.00 73.10 C ATOM 891 CG2 VAL A 56 -10.390 -5.433 1.785 1.00 23.11 C ATOM 0 H VAL A 56 -12.090 -2.685 2.765 1.00 63.14 H new ATOM 0 HA VAL A 56 -10.708 -4.539 4.579 1.00 1.31 H new ATOM 0 HB VAL A 56 -9.386 -3.592 2.073 1.00 51.44 H new ATOM 0 HG11 VAL A 56 -7.875 -5.554 2.633 1.00 73.10 H new ATOM 0 HG12 VAL A 56 -7.967 -4.388 3.974 1.00 73.10 H new ATOM 0 HG13 VAL A 56 -8.901 -5.901 4.045 1.00 73.10 H new ATOM 0 HG21 VAL A 56 -9.669 -5.815 1.062 1.00 23.11 H new ATOM 0 HG22 VAL A 56 -10.780 -6.259 2.380 1.00 23.11 H new ATOM 0 HG23 VAL A 56 -11.211 -4.947 1.257 1.00 23.11 H new ATOM 901 N ARG A 57 -10.827 -1.758 5.070 1.00 53.24 N ATOM 902 CA ARG A 57 -10.360 -0.633 5.869 1.00 62.14 C ATOM 903 C ARG A 57 -9.319 0.215 5.142 1.00 20.20 C ATOM 904 O ARG A 57 -8.225 0.446 5.659 1.00 71.13 O ATOM 905 CB ARG A 57 -10.033 -0.996 7.332 1.00 42.23 C ATOM 906 CG ARG A 57 -9.462 -2.393 7.517 1.00 23.22 C ATOM 907 CD ARG A 57 -9.125 -2.692 8.983 1.00 52.12 C ATOM 908 NE ARG A 57 -9.828 -3.910 9.403 1.00 33.21 N ATOM 909 CZ ARG A 57 -11.082 -3.974 9.866 1.00 21.31 C ATOM 910 NH1 ARG A 57 -11.664 -2.908 10.412 1.00 44.30 N ATOM 911 NH2 ARG A 57 -11.752 -5.111 9.752 1.00 63.22 N ATOM 0 H ARG A 57 -11.837 -1.895 5.107 1.00 53.24 H new ATOM 0 HA ARG A 57 -11.211 0.038 5.982 1.00 62.14 H new ATOM 0 HB2 ARG A 57 -9.320 -0.270 7.724 1.00 42.23 H new ATOM 0 HB3 ARG A 57 -10.941 -0.905 7.928 1.00 42.23 H new ATOM 0 HG2 ARG A 57 -10.180 -3.128 7.154 1.00 23.22 H new ATOM 0 HG3 ARG A 57 -8.563 -2.499 6.910 1.00 23.22 H new ATOM 0 HD2 ARG A 57 -8.049 -2.820 9.102 1.00 52.12 H new ATOM 0 HD3 ARG A 57 -9.418 -1.853 9.614 1.00 52.12 H new ATOM 0 HE ARG A 57 -9.314 -4.788 9.336 1.00 33.21 H new ATOM 0 HH11 ARG A 57 -11.153 -2.028 10.482 1.00 44.30 H new ATOM 0 HH12 ARG A 57 -12.620 -2.972 10.761 1.00 44.30 H new ATOM 0 HH21 ARG A 57 -11.311 -5.921 9.316 1.00 63.22 H new ATOM 0 HH22 ARG A 57 -12.709 -5.176 10.100 1.00 63.22 H new ATOM 925 N PHE A 58 -9.610 0.532 3.876 1.00 50.02 N ATOM 926 CA PHE A 58 -8.593 1.076 2.994 1.00 70.54 C ATOM 927 C PHE A 58 -8.193 2.453 3.522 1.00 2.23 C ATOM 928 O PHE A 58 -8.934 3.070 4.301 1.00 1.41 O ATOM 929 CB PHE A 58 -9.071 1.108 1.527 1.00 34.13 C ATOM 930 CG PHE A 58 -9.402 -0.247 0.914 1.00 11.22 C ATOM 931 CD1 PHE A 58 -8.356 -1.079 0.485 1.00 63.22 C ATOM 932 CD2 PHE A 58 -10.732 -0.691 0.764 1.00 74.52 C ATOM 933 CE1 PHE A 58 -8.620 -2.319 -0.114 1.00 75.24 C ATOM 934 CE2 PHE A 58 -10.991 -1.947 0.173 1.00 61.01 C ATOM 935 CZ PHE A 58 -9.940 -2.745 -0.298 1.00 54.34 C ATOM 0 H PHE A 58 -10.530 0.420 3.451 1.00 50.02 H new ATOM 0 HA PHE A 58 -7.713 0.433 2.991 1.00 70.54 H new ATOM 0 HB2 PHE A 58 -9.956 1.741 1.466 1.00 34.13 H new ATOM 0 HB3 PHE A 58 -8.298 1.582 0.922 1.00 34.13 H new ATOM 0 HD1 PHE A 58 -7.333 -0.759 0.618 1.00 63.22 H new ATOM 0 HD2 PHE A 58 -11.551 -0.072 1.100 1.00 74.52 H new ATOM 0 HE1 PHE A 58 -7.802 -2.947 -0.434 1.00 75.24 H new ATOM 0 HE2 PHE A 58 -12.009 -2.296 0.083 1.00 61.01 H new ATOM 0 HZ PHE A 58 -10.147 -3.680 -0.798 1.00 54.34 H new ATOM 945 N PHE A 59 -7.062 2.981 3.056 1.00 51.23 N ATOM 946 CA PHE A 59 -6.682 4.364 3.307 1.00 54.52 C ATOM 947 C PHE A 59 -6.451 5.051 1.966 1.00 50.43 C ATOM 948 O PHE A 59 -5.676 4.540 1.154 1.00 0.50 O ATOM 949 CB PHE A 59 -5.474 4.442 4.251 1.00 64.33 C ATOM 950 CG PHE A 59 -5.029 5.856 4.575 1.00 23.34 C ATOM 951 CD1 PHE A 59 -5.983 6.864 4.807 1.00 63.11 C ATOM 952 CD2 PHE A 59 -3.659 6.181 4.615 1.00 12.21 C ATOM 953 CE1 PHE A 59 -5.577 8.192 4.974 1.00 22.33 C ATOM 954 CE2 PHE A 59 -3.252 7.505 4.854 1.00 63.53 C ATOM 955 CZ PHE A 59 -4.212 8.518 4.997 1.00 21.51 C ATOM 0 H PHE A 59 -6.387 2.461 2.495 1.00 51.23 H new ATOM 0 HA PHE A 59 -7.482 4.894 3.824 1.00 54.52 H new ATOM 0 HB2 PHE A 59 -5.719 3.928 5.180 1.00 64.33 H new ATOM 0 HB3 PHE A 59 -4.640 3.905 3.801 1.00 64.33 H new ATOM 0 HD1 PHE A 59 -7.032 6.611 4.856 1.00 63.11 H new ATOM 0 HD2 PHE A 59 -2.919 5.410 4.461 1.00 12.21 H new ATOM 0 HE1 PHE A 59 -6.317 8.970 5.086 1.00 22.33 H new ATOM 0 HE2 PHE A 59 -2.201 7.742 4.928 1.00 63.53 H new ATOM 0 HZ PHE A 59 -3.902 9.545 5.124 1.00 21.51 H new ATOM 965 N PHE A 60 -7.118 6.186 1.750 1.00 31.33 N ATOM 966 CA PHE A 60 -7.091 6.970 0.533 1.00 74.02 C ATOM 967 C PHE A 60 -6.546 8.361 0.863 1.00 54.11 C ATOM 968 O PHE A 60 -6.775 8.913 1.946 1.00 60.32 O ATOM 969 CB PHE A 60 -8.505 7.089 -0.064 1.00 53.13 C ATOM 970 CG PHE A 60 -9.180 5.832 -0.595 1.00 62.54 C ATOM 971 CD1 PHE A 60 -8.505 4.933 -1.443 1.00 64.21 C ATOM 972 CD2 PHE A 60 -10.516 5.567 -0.241 1.00 74.04 C ATOM 973 CE1 PHE A 60 -9.151 3.777 -1.914 1.00 73.44 C ATOM 974 CE2 PHE A 60 -11.133 4.365 -0.624 1.00 20.43 C ATOM 975 CZ PHE A 60 -10.457 3.475 -1.479 1.00 63.22 C ATOM 0 H PHE A 60 -7.721 6.597 2.463 1.00 31.33 H new ATOM 0 HA PHE A 60 -6.452 6.481 -0.202 1.00 74.02 H new ATOM 0 HB2 PHE A 60 -9.153 7.514 0.702 1.00 53.13 H new ATOM 0 HB3 PHE A 60 -8.460 7.810 -0.880 1.00 53.13 H new ATOM 0 HD1 PHE A 60 -7.484 5.133 -1.733 1.00 64.21 H new ATOM 0 HD2 PHE A 60 -11.072 6.295 0.331 1.00 74.04 H new ATOM 0 HE1 PHE A 60 -8.647 3.121 -2.608 1.00 73.44 H new ATOM 0 HE2 PHE A 60 -12.122 4.125 -0.264 1.00 20.43 H new ATOM 0 HZ PHE A 60 -10.938 2.563 -1.801 1.00 63.22 H new ATOM 985 N TYR A 61 -5.799 8.926 -0.077 1.00 51.41 N ATOM 986 CA TYR A 61 -5.042 10.163 0.066 1.00 51.41 C ATOM 987 C TYR A 61 -4.621 10.605 -1.332 1.00 21.12 C ATOM 988 O TYR A 61 -4.237 9.782 -2.169 1.00 0.11 O ATOM 989 CB TYR A 61 -3.806 9.952 0.966 1.00 15.51 C ATOM 990 CG TYR A 61 -3.049 8.664 0.698 1.00 64.04 C ATOM 991 CD1 TYR A 61 -2.018 8.627 -0.259 1.00 72.51 C ATOM 992 CD2 TYR A 61 -3.439 7.480 1.352 1.00 51.24 C ATOM 993 CE1 TYR A 61 -1.399 7.407 -0.578 1.00 43.12 C ATOM 994 CE2 TYR A 61 -2.871 6.250 0.991 1.00 74.23 C ATOM 995 CZ TYR A 61 -1.863 6.208 0.004 1.00 21.30 C ATOM 996 OH TYR A 61 -1.369 5.016 -0.424 1.00 42.00 O ATOM 0 H TYR A 61 -5.700 8.514 -1.005 1.00 51.41 H new ATOM 0 HA TYR A 61 -5.655 10.929 0.541 1.00 51.41 H new ATOM 0 HB2 TYR A 61 -3.126 10.793 0.832 1.00 15.51 H new ATOM 0 HB3 TYR A 61 -4.124 9.962 2.008 1.00 15.51 H new ATOM 0 HD1 TYR A 61 -1.703 9.537 -0.748 1.00 72.51 H new ATOM 0 HD2 TYR A 61 -4.180 7.519 2.137 1.00 51.24 H new ATOM 0 HE1 TYR A 61 -0.569 7.387 -1.268 1.00 43.12 H new ATOM 0 HE2 TYR A 61 -3.203 5.339 1.466 1.00 74.23 H new ATOM 0 HH TYR A 61 -1.073 5.100 -1.354 1.00 42.00 H new ATOM 1006 N THR A 62 -4.720 11.902 -1.589 1.00 24.42 N ATOM 1007 CA THR A 62 -4.312 12.539 -2.832 1.00 22.22 C ATOM 1008 C THR A 62 -2.806 12.430 -3.014 1.00 42.05 C ATOM 1009 O THR A 62 -2.062 12.687 -2.067 1.00 10.13 O ATOM 1010 CB THR A 62 -4.732 14.015 -2.791 1.00 25.44 C ATOM 1011 OG1 THR A 62 -4.603 14.543 -1.474 1.00 73.30 O ATOM 1012 CG2 THR A 62 -6.174 14.148 -3.262 1.00 63.12 C ATOM 0 H THR A 62 -5.101 12.563 -0.912 1.00 24.42 H new ATOM 0 HA THR A 62 -4.794 12.040 -3.673 1.00 22.22 H new ATOM 0 HB THR A 62 -4.077 14.581 -3.453 1.00 25.44 H new ATOM 0 HG1 THR A 62 -4.874 15.485 -1.471 1.00 73.30 H new ATOM 0 HG21 THR A 62 -6.471 15.196 -3.232 1.00 63.12 H new ATOM 0 HG22 THR A 62 -6.259 13.775 -4.283 1.00 63.12 H new ATOM 0 HG23 THR A 62 -6.825 13.568 -2.608 1.00 63.12 H new ATOM 1020 N SER A 63 -2.347 12.154 -4.235 1.00 53.24 N ATOM 1021 CA SER A 63 -0.937 12.237 -4.579 1.00 0.44 C ATOM 1022 C SER A 63 -0.342 13.649 -4.459 1.00 74.22 C ATOM 1023 O SER A 63 0.881 13.786 -4.509 1.00 34.41 O ATOM 1024 CB SER A 63 -0.721 11.610 -5.962 1.00 60.33 C ATOM 1025 OG SER A 63 -1.823 11.809 -6.837 1.00 3.13 O ATOM 0 H SER A 63 -2.946 11.867 -5.009 1.00 53.24 H new ATOM 0 HA SER A 63 -0.379 11.665 -3.838 1.00 0.44 H new ATOM 0 HB2 SER A 63 0.176 12.036 -6.412 1.00 60.33 H new ATOM 0 HB3 SER A 63 -0.543 10.541 -5.847 1.00 60.33 H new ATOM 0 HG SER A 63 -1.527 12.306 -7.628 1.00 3.13 H new ATOM 1031 N LYS A 64 -1.170 14.682 -4.264 1.00 32.22 N ATOM 1032 CA LYS A 64 -0.733 16.019 -3.863 1.00 14.32 C ATOM 1033 C LYS A 64 0.037 15.993 -2.537 1.00 34.41 C ATOM 1034 O LYS A 64 0.928 16.815 -2.346 1.00 11.43 O ATOM 1035 CB LYS A 64 -1.929 16.981 -3.888 1.00 45.41 C ATOM 1036 CG LYS A 64 -2.658 17.228 -2.568 1.00 44.24 C ATOM 1037 CD LYS A 64 -1.835 18.169 -1.670 1.00 35.40 C ATOM 1038 CE LYS A 64 -2.722 19.194 -1.009 1.00 40.43 C ATOM 1039 NZ LYS A 64 -3.631 18.575 -0.020 1.00 4.30 N ATOM 0 H LYS A 64 -2.180 14.608 -4.383 1.00 32.22 H new ATOM 0 HA LYS A 64 -0.010 16.401 -4.584 1.00 14.32 H new ATOM 0 HB2 LYS A 64 -1.581 17.942 -4.266 1.00 45.41 H new ATOM 0 HB3 LYS A 64 -2.654 16.599 -4.607 1.00 45.41 H new ATOM 0 HG2 LYS A 64 -3.638 17.665 -2.762 1.00 44.24 H new ATOM 0 HG3 LYS A 64 -2.827 16.281 -2.055 1.00 44.24 H new ATOM 0 HD2 LYS A 64 -1.314 17.588 -0.909 1.00 35.40 H new ATOM 0 HD3 LYS A 64 -1.073 18.672 -2.265 1.00 35.40 H new ATOM 0 HE2 LYS A 64 -2.105 19.945 -0.516 1.00 40.43 H new ATOM 0 HE3 LYS A 64 -3.308 19.711 -1.768 1.00 40.43 H new ATOM 0 HZ1 LYS A 64 -4.225 19.310 0.414 1.00 4.30 H new ATOM 0 HZ2 LYS A 64 -4.237 17.876 -0.495 1.00 4.30 H new ATOM 0 HZ3 LYS A 64 -3.071 18.103 0.718 1.00 4.30 H new ATOM 1053 N GLU A 65 -0.364 15.131 -1.594 1.00 51.05 N ATOM 1054 CA GLU A 65 0.154 15.150 -0.227 1.00 73.21 C ATOM 1055 C GLU A 65 1.617 14.667 -0.263 1.00 14.21 C ATOM 1056 O GLU A 65 1.963 13.851 -1.126 1.00 20.31 O ATOM 1057 CB GLU A 65 -0.741 14.253 0.663 1.00 13.22 C ATOM 1058 CG GLU A 65 -1.224 14.884 1.980 1.00 31.35 C ATOM 1059 CD GLU A 65 -2.289 15.968 1.810 1.00 43.33 C ATOM 1060 OE1 GLU A 65 -1.916 17.137 1.579 1.00 0.35 O ATOM 1061 OE2 GLU A 65 -3.487 15.715 2.072 1.00 1.44 O ATOM 0 H GLU A 65 -1.057 14.402 -1.761 1.00 51.05 H new ATOM 0 HA GLU A 65 0.135 16.154 0.198 1.00 73.21 H new ATOM 0 HB2 GLU A 65 -1.615 13.955 0.083 1.00 13.22 H new ATOM 0 HB3 GLU A 65 -0.190 13.343 0.899 1.00 13.22 H new ATOM 0 HG2 GLU A 65 -1.623 14.097 2.620 1.00 31.35 H new ATOM 0 HG3 GLU A 65 -0.367 15.313 2.499 1.00 31.35 H new ATOM 1068 N PRO A 66 2.497 15.114 0.651 1.00 24.44 N ATOM 1069 CA PRO A 66 3.845 14.588 0.712 1.00 5.23 C ATOM 1070 C PRO A 66 3.769 13.169 1.267 1.00 52.11 C ATOM 1071 O PRO A 66 3.019 12.883 2.209 1.00 44.44 O ATOM 1072 CB PRO A 66 4.632 15.534 1.620 1.00 21.04 C ATOM 1073 CG PRO A 66 3.571 16.121 2.542 1.00 34.13 C ATOM 1074 CD PRO A 66 2.243 15.965 1.801 1.00 21.30 C ATOM 0 HA PRO A 66 4.339 14.533 -0.258 1.00 5.23 H new ATOM 0 HB2 PRO A 66 5.400 15.002 2.182 1.00 21.04 H new ATOM 0 HB3 PRO A 66 5.137 16.311 1.046 1.00 21.04 H new ATOM 0 HG2 PRO A 66 3.550 15.597 3.497 1.00 34.13 H new ATOM 0 HG3 PRO A 66 3.777 17.169 2.758 1.00 34.13 H new ATOM 0 HD2 PRO A 66 1.489 15.521 2.450 1.00 21.30 H new ATOM 0 HD3 PRO A 66 1.861 16.936 1.486 1.00 21.30 H new ATOM 1082 N VAL A 67 4.604 12.286 0.720 1.00 32.20 N ATOM 1083 CA VAL A 67 4.691 10.889 1.140 1.00 11.40 C ATOM 1084 C VAL A 67 4.954 10.837 2.653 1.00 25.31 C ATOM 1085 O VAL A 67 4.378 9.987 3.334 1.00 50.41 O ATOM 1086 CB VAL A 67 5.731 10.118 0.284 1.00 12.25 C ATOM 1087 CG1 VAL A 67 5.488 8.601 0.284 1.00 75.43 C ATOM 1088 CG2 VAL A 67 5.706 10.583 -1.181 1.00 72.14 C ATOM 0 H VAL A 67 5.246 12.524 -0.036 1.00 32.20 H new ATOM 0 HA VAL A 67 3.746 10.375 0.964 1.00 11.40 H new ATOM 0 HB VAL A 67 6.696 10.333 0.743 1.00 12.25 H new ATOM 0 HG11 VAL A 67 6.244 8.111 -0.330 1.00 75.43 H new ATOM 0 HG12 VAL A 67 5.549 8.223 1.304 1.00 75.43 H new ATOM 0 HG13 VAL A 67 4.499 8.391 -0.123 1.00 75.43 H new ATOM 0 HG21 VAL A 67 6.446 10.023 -1.753 1.00 72.14 H new ATOM 0 HG22 VAL A 67 4.715 10.409 -1.601 1.00 72.14 H new ATOM 0 HG23 VAL A 67 5.939 11.647 -1.229 1.00 72.14 H new ATOM 1098 N ALA A 68 5.719 11.801 3.186 1.00 32.12 N ATOM 1099 CA ALA A 68 6.002 11.973 4.602 1.00 1.34 C ATOM 1100 C ALA A 68 4.735 12.057 5.447 1.00 44.33 C ATOM 1101 O ALA A 68 4.608 11.277 6.384 1.00 64.42 O ATOM 1102 CB ALA A 68 6.883 13.206 4.826 1.00 64.12 C ATOM 0 H ALA A 68 6.173 12.509 2.609 1.00 32.12 H new ATOM 0 HA ALA A 68 6.541 11.084 4.930 1.00 1.34 H new ATOM 0 HB1 ALA A 68 7.085 13.320 5.891 1.00 64.12 H new ATOM 0 HB2 ALA A 68 7.824 13.083 4.289 1.00 64.12 H new ATOM 0 HB3 ALA A 68 6.368 14.093 4.457 1.00 64.12 H new ATOM 1108 N SER A 69 3.804 12.970 5.158 1.00 1.51 N ATOM 1109 CA SER A 69 2.603 13.095 5.981 1.00 63.02 C ATOM 1110 C SER A 69 1.788 11.802 5.951 1.00 71.34 C ATOM 1111 O SER A 69 1.229 11.418 6.975 1.00 31.12 O ATOM 1112 CB SER A 69 1.765 14.294 5.532 1.00 21.40 C ATOM 1113 OG SER A 69 2.481 15.486 5.784 1.00 5.00 O ATOM 0 H SER A 69 3.858 13.621 4.375 1.00 1.51 H new ATOM 0 HA SER A 69 2.908 13.269 7.013 1.00 63.02 H new ATOM 0 HB2 SER A 69 1.534 14.213 4.470 1.00 21.40 H new ATOM 0 HB3 SER A 69 0.814 14.308 6.065 1.00 21.40 H new ATOM 0 HG SER A 69 1.947 16.256 5.496 1.00 5.00 H new ATOM 1119 N ILE A 70 1.748 11.093 4.817 1.00 21.55 N ATOM 1120 CA ILE A 70 1.076 9.796 4.747 1.00 42.00 C ATOM 1121 C ILE A 70 1.798 8.804 5.676 1.00 71.41 C ATOM 1122 O ILE A 70 1.117 8.101 6.422 1.00 62.12 O ATOM 1123 CB ILE A 70 1.001 9.312 3.280 1.00 42.21 C ATOM 1124 CG1 ILE A 70 0.076 10.229 2.444 1.00 45.34 C ATOM 1125 CG2 ILE A 70 0.543 7.839 3.170 1.00 14.03 C ATOM 1126 CD1 ILE A 70 0.524 10.330 0.981 1.00 51.32 C ATOM 0 H ILE A 70 2.172 11.396 3.940 1.00 21.55 H new ATOM 0 HA ILE A 70 0.046 9.879 5.095 1.00 42.00 H new ATOM 0 HB ILE A 70 2.012 9.368 2.877 1.00 42.21 H new ATOM 0 HG12 ILE A 70 -0.944 9.846 2.484 1.00 45.34 H new ATOM 0 HG13 ILE A 70 0.060 11.225 2.886 1.00 45.34 H new ATOM 0 HG21 ILE A 70 0.506 7.547 2.121 1.00 14.03 H new ATOM 0 HG22 ILE A 70 1.247 7.198 3.701 1.00 14.03 H new ATOM 0 HG23 ILE A 70 -0.448 7.732 3.611 1.00 14.03 H new ATOM 0 HD11 ILE A 70 -0.157 10.984 0.436 1.00 51.32 H new ATOM 0 HD12 ILE A 70 1.533 10.739 0.937 1.00 51.32 H new ATOM 0 HD13 ILE A 70 0.514 9.339 0.528 1.00 51.32 H new ATOM 1138 N ILE A 71 3.142 8.755 5.675 1.00 40.12 N ATOM 1139 CA ILE A 71 3.907 7.916 6.603 1.00 62.12 C ATOM 1140 C ILE A 71 3.464 8.249 8.029 1.00 13.14 C ATOM 1141 O ILE A 71 3.103 7.353 8.784 1.00 74.44 O ATOM 1142 CB ILE A 71 5.449 8.082 6.453 1.00 34.24 C ATOM 1143 CG1 ILE A 71 6.052 7.640 5.103 1.00 4.33 C ATOM 1144 CG2 ILE A 71 6.164 7.322 7.579 1.00 70.52 C ATOM 1145 CD1 ILE A 71 6.030 6.137 4.831 1.00 43.11 C ATOM 0 H ILE A 71 3.722 9.295 5.033 1.00 40.12 H new ATOM 0 HA ILE A 71 3.699 6.872 6.367 1.00 62.12 H new ATOM 0 HB ILE A 71 5.610 9.159 6.508 1.00 34.24 H new ATOM 0 HG12 ILE A 71 5.512 8.144 4.302 1.00 4.33 H new ATOM 0 HG13 ILE A 71 7.085 7.984 5.057 1.00 4.33 H new ATOM 0 HG21 ILE A 71 7.242 7.441 7.471 1.00 70.52 H new ATOM 0 HG22 ILE A 71 5.850 7.721 8.544 1.00 70.52 H new ATOM 0 HG23 ILE A 71 5.908 6.264 7.523 1.00 70.52 H new ATOM 0 HD11 ILE A 71 6.477 5.937 3.857 1.00 43.11 H new ATOM 0 HD12 ILE A 71 6.597 5.619 5.604 1.00 43.11 H new ATOM 0 HD13 ILE A 71 5.000 5.781 4.837 1.00 43.11 H new ATOM 1157 N THR A 72 3.492 9.524 8.411 1.00 34.42 N ATOM 1158 CA THR A 72 3.230 9.951 9.775 1.00 54.42 C ATOM 1159 C THR A 72 1.809 9.572 10.230 1.00 75.31 C ATOM 1160 O THR A 72 1.633 9.164 11.383 1.00 43.33 O ATOM 1161 CB THR A 72 3.544 11.453 9.856 1.00 33.32 C ATOM 1162 OG1 THR A 72 4.829 11.704 9.314 1.00 40.03 O ATOM 1163 CG2 THR A 72 3.578 11.992 11.281 1.00 5.32 C ATOM 0 H THR A 72 3.699 10.293 7.774 1.00 34.42 H new ATOM 0 HA THR A 72 3.874 9.428 10.481 1.00 54.42 H new ATOM 0 HB THR A 72 2.744 11.946 9.304 1.00 33.32 H new ATOM 0 HG1 THR A 72 4.772 11.730 8.336 1.00 40.03 H new ATOM 0 HG21 THR A 72 3.805 13.058 11.262 1.00 5.32 H new ATOM 0 HG22 THR A 72 2.607 11.836 11.752 1.00 5.32 H new ATOM 0 HG23 THR A 72 4.346 11.468 11.850 1.00 5.32 H new ATOM 1171 N LYS A 73 0.805 9.624 9.345 1.00 21.23 N ATOM 1172 CA LYS A 73 -0.541 9.148 9.634 1.00 63.52 C ATOM 1173 C LYS A 73 -0.550 7.629 9.796 1.00 53.34 C ATOM 1174 O LYS A 73 -1.085 7.127 10.780 1.00 24.31 O ATOM 1175 CB LYS A 73 -1.485 9.601 8.515 1.00 71.45 C ATOM 1176 CG LYS A 73 -1.708 11.121 8.544 1.00 14.35 C ATOM 1177 CD LYS A 73 -2.636 11.593 7.416 1.00 34.31 C ATOM 1178 CE LYS A 73 -2.145 12.933 6.861 1.00 12.55 C ATOM 1179 NZ LYS A 73 -3.169 13.624 6.046 1.00 22.33 N ATOM 0 H LYS A 73 0.912 10.001 8.403 1.00 21.23 H new ATOM 0 HA LYS A 73 -0.887 9.574 10.576 1.00 63.52 H new ATOM 0 HB2 LYS A 73 -1.071 9.312 7.549 1.00 71.45 H new ATOM 0 HB3 LYS A 73 -2.442 9.090 8.617 1.00 71.45 H new ATOM 0 HG2 LYS A 73 -2.134 11.406 9.506 1.00 14.35 H new ATOM 0 HG3 LYS A 73 -0.747 11.629 8.458 1.00 14.35 H new ATOM 0 HD2 LYS A 73 -2.663 10.848 6.620 1.00 34.31 H new ATOM 0 HD3 LYS A 73 -3.654 11.696 7.791 1.00 34.31 H new ATOM 0 HE2 LYS A 73 -1.850 13.578 7.689 1.00 12.55 H new ATOM 0 HE3 LYS A 73 -1.255 12.766 6.254 1.00 12.55 H new ATOM 0 HZ1 LYS A 73 -2.784 14.524 5.696 1.00 22.33 H new ATOM 0 HZ2 LYS A 73 -3.434 13.023 5.239 1.00 22.33 H new ATOM 0 HZ3 LYS A 73 -4.009 13.810 6.630 1.00 22.33 H new ATOM 1193 N LEU A 74 0.071 6.882 8.879 1.00 44.51 N ATOM 1194 CA LEU A 74 0.140 5.423 8.980 1.00 11.14 C ATOM 1195 C LEU A 74 0.872 4.984 10.255 1.00 43.23 C ATOM 1196 O LEU A 74 0.524 3.963 10.845 1.00 11.23 O ATOM 1197 CB LEU A 74 0.803 4.816 7.733 1.00 23.13 C ATOM 1198 CG LEU A 74 -0.039 4.944 6.448 1.00 32.42 C ATOM 1199 CD1 LEU A 74 0.834 4.616 5.232 1.00 44.41 C ATOM 1200 CD2 LEU A 74 -1.261 4.010 6.473 1.00 23.51 C ATOM 0 H LEU A 74 0.535 7.266 8.056 1.00 44.51 H new ATOM 0 HA LEU A 74 -0.882 5.049 9.038 1.00 11.14 H new ATOM 0 HB2 LEU A 74 1.766 5.302 7.574 1.00 23.13 H new ATOM 0 HB3 LEU A 74 1.005 3.761 7.919 1.00 23.13 H new ATOM 0 HG LEU A 74 -0.403 5.969 6.384 1.00 32.42 H new ATOM 0 HD11 LEU A 74 0.240 4.706 4.323 1.00 44.41 H new ATOM 0 HD12 LEU A 74 1.672 5.311 5.188 1.00 44.41 H new ATOM 0 HD13 LEU A 74 1.211 3.597 5.319 1.00 44.41 H new ATOM 0 HD21 LEU A 74 -1.829 4.129 5.550 1.00 23.51 H new ATOM 0 HD22 LEU A 74 -0.927 2.976 6.562 1.00 23.51 H new ATOM 0 HD23 LEU A 74 -1.894 4.262 7.324 1.00 23.51 H new ATOM 1212 N ASN A 75 1.858 5.760 10.708 1.00 61.20 N ATOM 1213 CA ASN A 75 2.570 5.511 11.955 1.00 2.15 C ATOM 1214 C ASN A 75 1.664 5.756 13.160 1.00 73.20 C ATOM 1215 O ASN A 75 1.875 5.132 14.197 1.00 13.42 O ATOM 1216 CB ASN A 75 3.796 6.427 12.101 1.00 31.04 C ATOM 1217 CG ASN A 75 4.946 6.151 11.147 1.00 65.44 C ATOM 1218 OD1 ASN A 75 4.963 5.190 10.386 1.00 61.03 O ATOM 1219 ND2 ASN A 75 5.981 6.969 11.210 1.00 32.11 N ATOM 0 H ASN A 75 2.186 6.588 10.211 1.00 61.20 H new ATOM 0 HA ASN A 75 2.889 4.469 11.923 1.00 2.15 H new ATOM 0 HB2 ASN A 75 3.473 7.459 11.962 1.00 31.04 H new ATOM 0 HB3 ASN A 75 4.168 6.344 13.122 1.00 31.04 H new ATOM 0 HD21 ASN A 75 6.799 6.802 10.624 1.00 32.11 H new ATOM 0 HD22 ASN A 75 5.962 7.767 11.845 1.00 32.11 H new ATOM 1226 N SER A 76 0.698 6.676 13.059 1.00 63.41 N ATOM 1227 CA SER A 76 -0.283 6.925 14.105 1.00 10.21 C ATOM 1228 C SER A 76 -1.133 5.675 14.312 1.00 12.41 C ATOM 1229 O SER A 76 -1.286 5.235 15.451 1.00 43.33 O ATOM 1230 CB SER A 76 -1.131 8.141 13.769 1.00 41.30 C ATOM 1231 OG SER A 76 -1.901 8.549 14.878 1.00 42.44 O ATOM 0 H SER A 76 0.580 7.271 12.239 1.00 63.41 H new ATOM 0 HA SER A 76 0.230 7.147 15.041 1.00 10.21 H new ATOM 0 HB2 SER A 76 -0.486 8.960 13.450 1.00 41.30 H new ATOM 0 HB3 SER A 76 -1.789 7.908 12.932 1.00 41.30 H new ATOM 0 HG SER A 76 -2.435 9.334 14.634 1.00 42.44 H new ATOM 1237 N LEU A 77 -1.646 5.099 13.216 1.00 14.24 N ATOM 1238 CA LEU A 77 -2.499 3.910 13.247 1.00 42.24 C ATOM 1239 C LEU A 77 -1.823 2.772 13.999 1.00 1.25 C ATOM 1240 O LEU A 77 -2.495 2.056 14.740 1.00 41.00 O ATOM 1241 CB LEU A 77 -2.816 3.426 11.821 1.00 31.14 C ATOM 1242 CG LEU A 77 -3.724 4.370 11.020 1.00 73.03 C ATOM 1243 CD1 LEU A 77 -3.719 3.956 9.548 1.00 54.43 C ATOM 1244 CD2 LEU A 77 -5.159 4.312 11.548 1.00 60.02 C ATOM 0 H LEU A 77 -1.477 5.452 12.274 1.00 14.24 H new ATOM 0 HA LEU A 77 -3.421 4.190 13.757 1.00 42.24 H new ATOM 0 HB2 LEU A 77 -1.880 3.294 11.278 1.00 31.14 H new ATOM 0 HB3 LEU A 77 -3.291 2.447 11.880 1.00 31.14 H new ATOM 0 HG LEU A 77 -3.346 5.387 11.126 1.00 73.03 H new ATOM 0 HD11 LEU A 77 -4.364 4.626 8.979 1.00 54.43 H new ATOM 0 HD12 LEU A 77 -2.703 4.012 9.158 1.00 54.43 H new ATOM 0 HD13 LEU A 77 -4.087 2.934 9.456 1.00 54.43 H new ATOM 0 HD21 LEU A 77 -5.788 4.988 10.968 1.00 60.02 H new ATOM 0 HD22 LEU A 77 -5.539 3.295 11.457 1.00 60.02 H new ATOM 0 HD23 LEU A 77 -5.174 4.612 12.596 1.00 60.02 H new ATOM 1256 N ASN A 78 -0.514 2.611 13.772 1.00 41.11 N ATOM 1257 CA ASN A 78 0.357 1.602 14.368 1.00 61.42 C ATOM 1258 C ASN A 78 -0.315 0.229 14.368 1.00 32.12 C ATOM 1259 O ASN A 78 -0.474 -0.420 15.402 1.00 75.41 O ATOM 1260 CB ASN A 78 0.901 2.032 15.738 1.00 62.12 C ATOM 1261 CG ASN A 78 2.056 1.137 16.186 1.00 73.34 C ATOM 1262 OD1 ASN A 78 2.696 0.449 15.386 1.00 51.34 O ATOM 1263 ND2 ASN A 78 2.406 1.184 17.457 1.00 34.33 N ATOM 0 H ASN A 78 -0.009 3.220 13.128 1.00 41.11 H new ATOM 0 HA ASN A 78 1.242 1.507 13.739 1.00 61.42 H new ATOM 0 HB2 ASN A 78 1.239 3.067 15.688 1.00 62.12 H new ATOM 0 HB3 ASN A 78 0.101 1.993 16.477 1.00 62.12 H new ATOM 0 HD21 ASN A 78 3.211 0.649 17.785 1.00 34.33 H new ATOM 0 HD22 ASN A 78 1.872 1.755 18.112 1.00 34.33 H new ATOM 1270 N GLU A 79 -0.765 -0.169 13.184 1.00 63.11 N ATOM 1271 CA GLU A 79 -1.374 -1.445 12.866 1.00 2.51 C ATOM 1272 C GLU A 79 -0.547 -2.085 11.747 1.00 42.12 C ATOM 1273 O GLU A 79 0.138 -1.365 11.017 1.00 32.12 O ATOM 1274 CB GLU A 79 -2.797 -1.168 12.363 1.00 62.03 C ATOM 1275 CG GLU A 79 -3.843 -1.163 13.477 1.00 32.13 C ATOM 1276 CD GLU A 79 -4.355 -2.560 13.854 1.00 45.40 C ATOM 1277 OE1 GLU A 79 -4.752 -3.344 12.957 1.00 53.12 O ATOM 1278 OE2 GLU A 79 -4.426 -2.872 15.062 1.00 61.20 O ATOM 0 H GLU A 79 -0.708 0.438 12.366 1.00 63.11 H new ATOM 0 HA GLU A 79 -1.408 -2.108 13.731 1.00 2.51 H new ATOM 0 HB2 GLU A 79 -2.814 -0.204 11.854 1.00 62.03 H new ATOM 0 HB3 GLU A 79 -3.067 -1.923 11.624 1.00 62.03 H new ATOM 0 HG2 GLU A 79 -3.415 -0.692 14.362 1.00 32.13 H new ATOM 0 HG3 GLU A 79 -4.688 -0.548 13.166 1.00 32.13 H new ATOM 1285 N PRO A 80 -0.636 -3.408 11.548 1.00 65.32 N ATOM 1286 CA PRO A 80 0.004 -4.065 10.419 1.00 72.53 C ATOM 1287 C PRO A 80 -0.651 -3.648 9.099 1.00 13.02 C ATOM 1288 O PRO A 80 -1.885 -3.601 9.029 1.00 42.43 O ATOM 1289 CB PRO A 80 -0.149 -5.564 10.692 1.00 73.04 C ATOM 1290 CG PRO A 80 -1.391 -5.657 11.580 1.00 74.41 C ATOM 1291 CD PRO A 80 -1.342 -4.365 12.385 1.00 23.40 C ATOM 0 HA PRO A 80 1.054 -3.788 10.319 1.00 72.53 H new ATOM 0 HB2 PRO A 80 -0.277 -6.126 9.767 1.00 73.04 H new ATOM 0 HB3 PRO A 80 0.730 -5.970 11.193 1.00 73.04 H new ATOM 0 HG2 PRO A 80 -2.304 -5.729 10.989 1.00 74.41 H new ATOM 0 HG3 PRO A 80 -1.360 -6.535 12.225 1.00 74.41 H new ATOM 0 HD2 PRO A 80 -2.346 -4.013 12.622 1.00 23.40 H new ATOM 0 HD3 PRO A 80 -0.824 -4.513 13.333 1.00 23.40 H new ATOM 1299 N LEU A 81 0.154 -3.385 8.060 1.00 52.42 N ATOM 1300 CA LEU A 81 -0.313 -2.944 6.751 1.00 3.12 C ATOM 1301 C LEU A 81 0.210 -3.897 5.675 1.00 43.34 C ATOM 1302 O LEU A 81 1.214 -4.591 5.867 1.00 14.12 O ATOM 1303 CB LEU A 81 0.168 -1.506 6.435 1.00 73.02 C ATOM 1304 CG LEU A 81 0.325 -0.518 7.614 1.00 35.12 C ATOM 1305 CD1 LEU A 81 1.040 0.747 7.125 1.00 64.44 C ATOM 1306 CD2 LEU A 81 -1.020 -0.116 8.224 1.00 50.20 C ATOM 0 H LEU A 81 1.168 -3.477 8.114 1.00 52.42 H new ATOM 0 HA LEU A 81 -1.403 -2.947 6.762 1.00 3.12 H new ATOM 0 HB2 LEU A 81 1.131 -1.579 5.930 1.00 73.02 H new ATOM 0 HB3 LEU A 81 -0.532 -1.068 5.723 1.00 73.02 H new ATOM 0 HG LEU A 81 0.905 -1.025 8.385 1.00 35.12 H new ATOM 0 HD11 LEU A 81 1.152 1.445 7.954 1.00 64.44 H new ATOM 0 HD12 LEU A 81 2.024 0.482 6.738 1.00 64.44 H new ATOM 0 HD13 LEU A 81 0.453 1.214 6.334 1.00 64.44 H new ATOM 0 HD21 LEU A 81 -0.853 0.578 9.047 1.00 50.20 H new ATOM 0 HD22 LEU A 81 -1.635 0.364 7.463 1.00 50.20 H new ATOM 0 HD23 LEU A 81 -1.531 -1.004 8.596 1.00 50.20 H new ATOM 1318 N VAL A 82 -0.414 -3.862 4.501 1.00 43.14 N ATOM 1319 CA VAL A 82 0.027 -4.537 3.285 1.00 5.14 C ATOM 1320 C VAL A 82 -0.363 -3.592 2.141 1.00 32.22 C ATOM 1321 O VAL A 82 -1.466 -3.041 2.153 1.00 33.01 O ATOM 1322 CB VAL A 82 -0.639 -5.927 3.151 1.00 71.23 C ATOM 1323 CG1 VAL A 82 -0.082 -6.750 1.987 1.00 72.13 C ATOM 1324 CG2 VAL A 82 -0.619 -6.777 4.429 1.00 51.21 C ATOM 0 H VAL A 82 -1.279 -3.339 4.366 1.00 43.14 H new ATOM 0 HA VAL A 82 1.099 -4.733 3.284 1.00 5.14 H new ATOM 0 HB VAL A 82 -1.680 -5.678 2.946 1.00 71.23 H new ATOM 0 HG11 VAL A 82 -0.590 -7.714 1.947 1.00 72.13 H new ATOM 0 HG12 VAL A 82 -0.245 -6.214 1.052 1.00 72.13 H new ATOM 0 HG13 VAL A 82 0.987 -6.909 2.132 1.00 72.13 H new ATOM 0 HG21 VAL A 82 -1.108 -7.732 4.238 1.00 51.21 H new ATOM 0 HG22 VAL A 82 0.413 -6.952 4.734 1.00 51.21 H new ATOM 0 HG23 VAL A 82 -1.148 -6.251 5.224 1.00 51.21 H new ATOM 1334 N THR A 83 0.534 -3.330 1.188 1.00 65.24 N ATOM 1335 CA THR A 83 0.286 -2.403 0.081 1.00 43.22 C ATOM 1336 C THR A 83 1.354 -2.605 -1.009 1.00 11.42 C ATOM 1337 O THR A 83 2.154 -3.533 -0.928 1.00 12.33 O ATOM 1338 CB THR A 83 0.202 -0.961 0.637 1.00 62.11 C ATOM 1339 OG1 THR A 83 -0.169 -0.025 -0.357 1.00 61.12 O ATOM 1340 CG2 THR A 83 1.475 -0.503 1.363 1.00 63.44 C ATOM 0 H THR A 83 1.460 -3.758 1.162 1.00 65.24 H new ATOM 0 HA THR A 83 -0.672 -2.602 -0.401 1.00 43.22 H new ATOM 0 HB THR A 83 -0.589 -0.997 1.387 1.00 62.11 H new ATOM 0 HG1 THR A 83 -0.944 0.490 -0.049 1.00 61.12 H new ATOM 0 HG21 THR A 83 1.341 0.517 1.724 1.00 63.44 H new ATOM 0 HG22 THR A 83 1.670 -1.164 2.207 1.00 63.44 H new ATOM 0 HG23 THR A 83 2.319 -0.535 0.674 1.00 63.44 H new ATOM 1348 N MET A 84 1.375 -1.777 -2.052 1.00 22.13 N ATOM 1349 CA MET A 84 2.519 -1.603 -2.941 1.00 40.32 C ATOM 1350 C MET A 84 3.386 -0.491 -2.306 1.00 35.22 C ATOM 1351 O MET A 84 2.888 0.257 -1.460 1.00 13.42 O ATOM 1352 CB MET A 84 2.044 -1.160 -4.344 1.00 54.04 C ATOM 1353 CG MET A 84 0.697 -1.739 -4.803 1.00 14.11 C ATOM 1354 SD MET A 84 -0.710 -0.705 -4.284 1.00 2.43 S ATOM 1355 CE MET A 84 -1.841 -1.923 -3.572 1.00 73.41 C ATOM 0 H MET A 84 0.577 -1.195 -2.307 1.00 22.13 H new ATOM 0 HA MET A 84 3.076 -2.533 -3.059 1.00 40.32 H new ATOM 0 HB2 MET A 84 1.975 -0.072 -4.358 1.00 54.04 H new ATOM 0 HB3 MET A 84 2.806 -1.440 -5.071 1.00 54.04 H new ATOM 0 HG2 MET A 84 0.695 -1.833 -5.889 1.00 14.11 H new ATOM 0 HG3 MET A 84 0.577 -2.743 -4.396 1.00 14.11 H new ATOM 0 HE1 MET A 84 -2.756 -1.425 -3.250 1.00 73.41 H new ATOM 0 HE2 MET A 84 -2.083 -2.677 -4.321 1.00 73.41 H new ATOM 0 HE3 MET A 84 -1.367 -2.402 -2.715 1.00 73.41 H new ATOM 1365 N PRO A 85 4.653 -0.294 -2.686 1.00 23.04 N ATOM 1366 CA PRO A 85 5.486 0.757 -2.104 1.00 3.22 C ATOM 1367 C PRO A 85 5.050 2.135 -2.615 1.00 73.03 C ATOM 1368 O PRO A 85 5.443 2.547 -3.701 1.00 31.51 O ATOM 1369 CB PRO A 85 6.911 0.351 -2.481 1.00 65.31 C ATOM 1370 CG PRO A 85 6.751 -0.395 -3.807 1.00 33.52 C ATOM 1371 CD PRO A 85 5.375 -1.056 -3.691 1.00 42.22 C ATOM 0 HA PRO A 85 5.400 0.852 -1.022 1.00 3.22 H new ATOM 0 HB2 PRO A 85 7.558 1.222 -2.590 1.00 65.31 H new ATOM 0 HB3 PRO A 85 7.359 -0.285 -1.718 1.00 65.31 H new ATOM 0 HG2 PRO A 85 6.797 0.286 -4.657 1.00 33.52 H new ATOM 0 HG3 PRO A 85 7.539 -1.134 -3.948 1.00 33.52 H new ATOM 0 HD2 PRO A 85 4.851 -1.038 -4.647 1.00 42.22 H new ATOM 0 HD3 PRO A 85 5.467 -2.102 -3.397 1.00 42.22 H new ATOM 1379 N ILE A 86 4.226 2.831 -1.824 1.00 54.33 N ATOM 1380 CA ILE A 86 3.400 3.973 -2.221 1.00 30.22 C ATOM 1381 C ILE A 86 4.175 4.974 -3.088 1.00 23.31 C ATOM 1382 O ILE A 86 3.696 5.373 -4.147 1.00 23.55 O ATOM 1383 CB ILE A 86 2.808 4.679 -0.973 1.00 63.50 C ATOM 1384 CG1 ILE A 86 2.107 3.749 0.041 1.00 12.21 C ATOM 1385 CG2 ILE A 86 1.826 5.773 -1.421 1.00 74.12 C ATOM 1386 CD1 ILE A 86 1.464 4.460 1.244 1.00 31.22 C ATOM 0 H ILE A 86 4.113 2.599 -0.837 1.00 54.33 H new ATOM 0 HA ILE A 86 2.583 3.584 -2.828 1.00 30.22 H new ATOM 0 HB ILE A 86 3.665 5.095 -0.444 1.00 63.50 H new ATOM 0 HG12 ILE A 86 1.336 3.183 -0.482 1.00 12.21 H new ATOM 0 HG13 ILE A 86 2.835 3.028 0.412 1.00 12.21 H new ATOM 0 HG21 ILE A 86 1.410 6.269 -0.544 1.00 74.12 H new ATOM 0 HG22 ILE A 86 2.351 6.503 -2.036 1.00 74.12 H new ATOM 0 HG23 ILE A 86 1.020 5.323 -2.000 1.00 74.12 H new ATOM 0 HD11 ILE A 86 0.998 3.722 1.897 1.00 31.22 H new ATOM 0 HD12 ILE A 86 2.230 5.002 1.798 1.00 31.22 H new ATOM 0 HD13 ILE A 86 0.707 5.161 0.891 1.00 31.22 H new ATOM 1398 N GLY A 87 5.354 5.415 -2.650 1.00 70.21 N ATOM 1399 CA GLY A 87 6.127 6.456 -3.316 1.00 72.53 C ATOM 1400 C GLY A 87 6.381 6.162 -4.799 1.00 15.42 C ATOM 1401 O GLY A 87 6.454 7.088 -5.608 1.00 30.15 O ATOM 0 H GLY A 87 5.803 5.052 -1.809 1.00 70.21 H new ATOM 0 HA2 GLY A 87 5.600 7.406 -3.225 1.00 72.53 H new ATOM 0 HA3 GLY A 87 7.083 6.572 -2.806 1.00 72.53 H new ATOM 1405 N TYR A 88 6.454 4.880 -5.168 1.00 33.41 N ATOM 1406 CA TYR A 88 6.679 4.390 -6.527 1.00 45.53 C ATOM 1407 C TYR A 88 5.582 4.823 -7.513 1.00 43.21 C ATOM 1408 O TYR A 88 5.770 4.757 -8.730 1.00 51.03 O ATOM 1409 CB TYR A 88 6.765 2.858 -6.466 1.00 72.35 C ATOM 1410 CG TYR A 88 7.094 2.183 -7.774 1.00 64.42 C ATOM 1411 CD1 TYR A 88 8.430 2.051 -8.194 1.00 34.33 C ATOM 1412 CD2 TYR A 88 6.046 1.722 -8.588 1.00 62.32 C ATOM 1413 CE1 TYR A 88 8.719 1.451 -9.431 1.00 63.33 C ATOM 1414 CE2 TYR A 88 6.320 1.162 -9.841 1.00 34.01 C ATOM 1415 CZ TYR A 88 7.660 1.023 -10.268 1.00 0.32 C ATOM 1416 OH TYR A 88 7.928 0.409 -11.448 1.00 53.32 O ATOM 0 H TYR A 88 6.353 4.121 -4.494 1.00 33.41 H new ATOM 0 HA TYR A 88 7.606 4.825 -6.901 1.00 45.53 H new ATOM 0 HB2 TYR A 88 7.521 2.581 -5.732 1.00 72.35 H new ATOM 0 HB3 TYR A 88 5.813 2.470 -6.104 1.00 72.35 H new ATOM 0 HD1 TYR A 88 9.232 2.410 -7.567 1.00 34.33 H new ATOM 0 HD2 TYR A 88 5.025 1.800 -8.245 1.00 62.32 H new ATOM 0 HE1 TYR A 88 9.744 1.317 -9.742 1.00 63.33 H new ATOM 0 HE2 TYR A 88 5.511 0.838 -10.479 1.00 34.01 H new ATOM 0 HH TYR A 88 7.087 0.180 -11.896 1.00 53.32 H new ATOM 1426 N VAL A 89 4.435 5.264 -7.002 1.00 33.32 N ATOM 1427 CA VAL A 89 3.254 5.610 -7.773 1.00 32.52 C ATOM 1428 C VAL A 89 2.874 7.057 -7.524 1.00 4.10 C ATOM 1429 O VAL A 89 2.935 7.866 -8.448 1.00 52.22 O ATOM 1430 CB VAL A 89 2.089 4.619 -7.575 1.00 72.11 C ATOM 1431 CG1 VAL A 89 2.147 3.568 -8.684 1.00 50.14 C ATOM 1432 CG2 VAL A 89 2.068 3.860 -6.253 1.00 35.34 C ATOM 0 H VAL A 89 4.303 5.394 -5.999 1.00 33.32 H new ATOM 0 HA VAL A 89 3.501 5.516 -8.830 1.00 32.52 H new ATOM 0 HB VAL A 89 1.194 5.242 -7.590 1.00 72.11 H new ATOM 0 HG11 VAL A 89 1.328 2.860 -8.557 1.00 50.14 H new ATOM 0 HG12 VAL A 89 2.056 4.057 -9.654 1.00 50.14 H new ATOM 0 HG13 VAL A 89 3.098 3.037 -8.633 1.00 50.14 H new ATOM 0 HG21 VAL A 89 1.205 3.195 -6.229 1.00 35.34 H new ATOM 0 HG22 VAL A 89 2.981 3.273 -6.156 1.00 35.34 H new ATOM 0 HG23 VAL A 89 2.003 4.569 -5.428 1.00 35.34 H new ATOM 1442 N THR A 90 2.533 7.395 -6.284 1.00 4.05 N ATOM 1443 CA THR A 90 2.006 8.700 -5.899 1.00 72.32 C ATOM 1444 C THR A 90 2.948 9.862 -6.262 1.00 13.13 C ATOM 1445 O THR A 90 2.485 10.993 -6.403 1.00 14.41 O ATOM 1446 CB THR A 90 1.705 8.621 -4.393 1.00 62.50 C ATOM 1447 OG1 THR A 90 0.889 9.655 -3.919 1.00 52.02 O ATOM 1448 CG2 THR A 90 2.986 8.581 -3.568 1.00 2.01 C ATOM 0 H THR A 90 2.618 6.751 -5.498 1.00 4.05 H new ATOM 0 HA THR A 90 1.098 8.923 -6.459 1.00 72.32 H new ATOM 0 HB THR A 90 1.152 7.689 -4.272 1.00 62.50 H new ATOM 0 HG1 THR A 90 0.739 9.539 -2.957 1.00 52.02 H new ATOM 0 HG21 THR A 90 2.735 8.525 -2.509 1.00 2.01 H new ATOM 0 HG22 THR A 90 3.572 7.706 -3.848 1.00 2.01 H new ATOM 0 HG23 THR A 90 3.568 9.483 -3.756 1.00 2.01 H new ATOM 1456 N HIS A 91 4.251 9.596 -6.390 1.00 22.21 N ATOM 1457 CA HIS A 91 5.289 10.582 -6.666 1.00 34.41 C ATOM 1458 C HIS A 91 6.170 10.131 -7.841 1.00 72.20 C ATOM 1459 O HIS A 91 7.203 10.751 -8.113 1.00 30.04 O ATOM 1460 CB HIS A 91 6.113 10.773 -5.383 1.00 33.15 C ATOM 1461 CG HIS A 91 6.549 12.192 -5.129 1.00 10.02 C ATOM 1462 ND1 HIS A 91 7.244 13.015 -5.988 1.00 21.52 N ATOM 1463 CD2 HIS A 91 6.364 12.877 -3.960 1.00 3.43 C ATOM 1464 CE1 HIS A 91 7.496 14.162 -5.338 1.00 32.14 C ATOM 1465 NE2 HIS A 91 6.998 14.115 -4.090 1.00 73.52 N ATOM 0 H HIS A 91 4.622 8.650 -6.300 1.00 22.21 H new ATOM 0 HA HIS A 91 4.842 11.532 -6.958 1.00 34.41 H new ATOM 0 HB2 HIS A 91 5.524 10.429 -4.533 1.00 33.15 H new ATOM 0 HB3 HIS A 91 6.997 10.138 -5.436 1.00 33.15 H new ATOM 0 HD1 HIS A 91 7.518 12.793 -6.945 1.00 21.52 H new ATOM 0 HD2 HIS A 91 5.825 12.525 -3.093 1.00 3.43 H new ATOM 0 HE1 HIS A 91 8.025 15.005 -5.759 1.00 32.14 H new ATOM 1473 N GLY A 92 5.801 9.026 -8.504 1.00 63.23 N ATOM 1474 CA GLY A 92 6.586 8.361 -9.534 1.00 72.32 C ATOM 1475 C GLY A 92 8.039 8.133 -9.116 1.00 32.23 C ATOM 1476 O GLY A 92 8.938 8.326 -9.941 1.00 21.31 O ATOM 0 H GLY A 92 4.912 8.559 -8.325 1.00 63.23 H new ATOM 0 HA2 GLY A 92 6.126 7.402 -9.772 1.00 72.32 H new ATOM 0 HA3 GLY A 92 6.564 8.960 -10.445 1.00 72.32 H new ATOM 1480 N PHE A 93 8.294 7.790 -7.843 1.00 41.05 N ATOM 1481 CA PHE A 93 9.659 7.484 -7.423 1.00 54.33 C ATOM 1482 C PHE A 93 10.125 6.241 -8.155 1.00 65.41 C ATOM 1483 O PHE A 93 9.323 5.353 -8.454 1.00 52.13 O ATOM 1484 CB PHE A 93 9.766 7.243 -5.915 1.00 72.13 C ATOM 1485 CG PHE A 93 9.576 8.471 -5.050 1.00 22.42 C ATOM 1486 CD1 PHE A 93 9.923 9.757 -5.507 1.00 32.42 C ATOM 1487 CD2 PHE A 93 9.050 8.321 -3.758 1.00 1.43 C ATOM 1488 CE1 PHE A 93 9.646 10.880 -4.721 1.00 14.11 C ATOM 1489 CE2 PHE A 93 8.753 9.449 -2.977 1.00 73.00 C ATOM 1490 CZ PHE A 93 9.028 10.737 -3.467 1.00 15.32 C ATOM 0 H PHE A 93 7.590 7.720 -7.109 1.00 41.05 H new ATOM 0 HA PHE A 93 10.283 8.344 -7.663 1.00 54.33 H new ATOM 0 HB2 PHE A 93 9.023 6.498 -5.629 1.00 72.13 H new ATOM 0 HB3 PHE A 93 10.745 6.815 -5.700 1.00 72.13 H new ATOM 0 HD1 PHE A 93 10.404 9.876 -6.467 1.00 32.42 H new ATOM 0 HD2 PHE A 93 8.873 7.332 -3.362 1.00 1.43 H new ATOM 0 HE1 PHE A 93 9.909 11.864 -5.080 1.00 14.11 H new ATOM 0 HE2 PHE A 93 8.313 9.327 -1.998 1.00 73.00 H new ATOM 0 HZ PHE A 93 8.767 11.609 -2.885 1.00 15.32 H new ATOM 1500 N ASN A 94 11.431 6.133 -8.383 1.00 2.41 N ATOM 1501 CA ASN A 94 11.979 4.853 -8.784 1.00 61.24 C ATOM 1502 C ASN A 94 11.913 3.868 -7.630 1.00 3.53 C ATOM 1503 O ASN A 94 11.697 4.240 -6.476 1.00 62.42 O ATOM 1504 CB ASN A 94 13.424 4.961 -9.259 1.00 22.33 C ATOM 1505 CG ASN A 94 13.602 5.566 -10.639 1.00 50.52 C ATOM 1506 OD1 ASN A 94 14.572 6.284 -10.851 1.00 2.44 O ATOM 1507 ND2 ASN A 94 12.738 5.263 -11.596 1.00 61.33 N ATOM 0 H ASN A 94 12.106 6.893 -8.299 1.00 2.41 H new ATOM 0 HA ASN A 94 11.373 4.501 -9.619 1.00 61.24 H new ATOM 0 HB2 ASN A 94 13.983 5.561 -8.541 1.00 22.33 H new ATOM 0 HB3 ASN A 94 13.867 3.965 -9.255 1.00 22.33 H new ATOM 0 HD21 ASN A 94 12.871 5.630 -12.538 1.00 61.33 H new ATOM 0 HD22 ASN A 94 11.939 4.663 -11.391 1.00 61.33 H new ATOM 1514 N LEU A 95 12.182 2.606 -7.951 1.00 61.02 N ATOM 1515 CA LEU A 95 12.213 1.488 -7.025 1.00 24.24 C ATOM 1516 C LEU A 95 13.119 1.736 -5.811 1.00 44.43 C ATOM 1517 O LEU A 95 12.794 1.279 -4.720 1.00 41.45 O ATOM 1518 CB LEU A 95 12.679 0.259 -7.826 1.00 50.40 C ATOM 1519 CG LEU A 95 12.516 -1.077 -7.092 1.00 5.35 C ATOM 1520 CD1 LEU A 95 11.026 -1.431 -6.981 1.00 12.12 C ATOM 1521 CD2 LEU A 95 13.265 -2.186 -7.835 1.00 75.50 C ATOM 0 H LEU A 95 12.393 2.326 -8.909 1.00 61.02 H new ATOM 0 HA LEU A 95 11.218 1.336 -6.606 1.00 24.24 H new ATOM 0 HB2 LEU A 95 12.119 0.216 -8.760 1.00 50.40 H new ATOM 0 HB3 LEU A 95 13.729 0.389 -8.089 1.00 50.40 H new ATOM 0 HG LEU A 95 12.937 -0.983 -6.091 1.00 5.35 H new ATOM 0 HD11 LEU A 95 10.916 -2.381 -6.459 1.00 12.12 H new ATOM 0 HD12 LEU A 95 10.507 -0.650 -6.426 1.00 12.12 H new ATOM 0 HD13 LEU A 95 10.596 -1.514 -7.979 1.00 12.12 H new ATOM 0 HD21 LEU A 95 13.141 -3.129 -7.303 1.00 75.50 H new ATOM 0 HD22 LEU A 95 12.864 -2.283 -8.844 1.00 75.50 H new ATOM 0 HD23 LEU A 95 14.325 -1.937 -7.888 1.00 75.50 H new ATOM 1533 N GLU A 96 14.245 2.433 -5.990 1.00 14.20 N ATOM 1534 CA GLU A 96 15.231 2.649 -4.940 1.00 13.35 C ATOM 1535 C GLU A 96 14.751 3.765 -4.014 1.00 35.34 C ATOM 1536 O GLU A 96 14.737 3.596 -2.800 1.00 51.25 O ATOM 1537 CB GLU A 96 16.567 2.952 -5.620 1.00 61.34 C ATOM 1538 CG GLU A 96 17.742 3.013 -4.640 1.00 64.55 C ATOM 1539 CD GLU A 96 19.109 3.052 -5.330 1.00 54.13 C ATOM 1540 OE1 GLU A 96 19.250 2.618 -6.501 1.00 22.53 O ATOM 1541 OE2 GLU A 96 20.094 3.449 -4.668 1.00 64.54 O ATOM 0 H GLU A 96 14.495 2.866 -6.879 1.00 14.20 H new ATOM 0 HA GLU A 96 15.364 1.770 -4.310 1.00 13.35 H new ATOM 0 HB2 GLU A 96 16.767 2.187 -6.370 1.00 61.34 H new ATOM 0 HB3 GLU A 96 16.492 3.903 -6.147 1.00 61.34 H new ATOM 0 HG2 GLU A 96 17.635 3.897 -4.011 1.00 64.55 H new ATOM 0 HG3 GLU A 96 17.701 2.146 -3.981 1.00 64.55 H new ATOM 1548 N GLU A 97 14.274 4.880 -4.563 1.00 43.50 N ATOM 1549 CA GLU A 97 13.682 5.974 -3.795 1.00 74.40 C ATOM 1550 C GLU A 97 12.436 5.505 -3.033 1.00 33.41 C ATOM 1551 O GLU A 97 12.240 5.840 -1.864 1.00 65.34 O ATOM 1552 CB GLU A 97 13.353 7.120 -4.772 1.00 42.05 C ATOM 1553 CG GLU A 97 14.432 8.202 -4.802 1.00 13.11 C ATOM 1554 CD GLU A 97 14.394 9.041 -3.513 1.00 1.13 C ATOM 1555 OE1 GLU A 97 13.611 10.018 -3.420 1.00 33.43 O ATOM 1556 OE2 GLU A 97 15.083 8.679 -2.533 1.00 60.24 O ATOM 0 H GLU A 97 14.288 5.052 -5.568 1.00 43.50 H new ATOM 0 HA GLU A 97 14.387 6.327 -3.042 1.00 74.40 H new ATOM 0 HB2 GLU A 97 13.227 6.711 -5.775 1.00 42.05 H new ATOM 0 HB3 GLU A 97 12.401 7.570 -4.489 1.00 42.05 H new ATOM 0 HG2 GLU A 97 15.414 7.741 -4.914 1.00 13.11 H new ATOM 0 HG3 GLU A 97 14.283 8.848 -5.667 1.00 13.11 H new ATOM 1563 N ALA A 98 11.607 4.670 -3.659 1.00 63.12 N ATOM 1564 CA ALA A 98 10.458 4.069 -3.007 1.00 11.15 C ATOM 1565 C ALA A 98 10.852 3.146 -1.840 1.00 72.44 C ATOM 1566 O ALA A 98 9.992 2.838 -1.010 1.00 61.10 O ATOM 1567 CB ALA A 98 9.621 3.324 -4.047 1.00 65.10 C ATOM 0 H ALA A 98 11.719 4.395 -4.635 1.00 63.12 H new ATOM 0 HA ALA A 98 9.863 4.869 -2.566 1.00 11.15 H new ATOM 0 HB1 ALA A 98 8.757 2.871 -3.562 1.00 65.10 H new ATOM 0 HB2 ALA A 98 9.283 4.024 -4.811 1.00 65.10 H new ATOM 0 HB3 ALA A 98 10.226 2.545 -4.511 1.00 65.10 H new ATOM 1573 N ALA A 99 12.109 2.695 -1.745 1.00 33.42 N ATOM 1574 CA ALA A 99 12.594 1.913 -0.614 1.00 62.11 C ATOM 1575 C ALA A 99 12.768 2.785 0.627 1.00 31.22 C ATOM 1576 O ALA A 99 12.250 2.416 1.682 1.00 3.24 O ATOM 1577 CB ALA A 99 13.878 1.156 -0.978 1.00 35.34 C ATOM 0 H ALA A 99 12.818 2.866 -2.458 1.00 33.42 H new ATOM 0 HA ALA A 99 11.840 1.164 -0.370 1.00 62.11 H new ATOM 0 HB1 ALA A 99 14.218 0.581 -0.117 1.00 35.34 H new ATOM 0 HB2 ALA A 99 13.679 0.480 -1.810 1.00 35.34 H new ATOM 0 HB3 ALA A 99 14.651 1.868 -1.267 1.00 35.34 H new ATOM 1583 N ARG A 100 13.438 3.945 0.540 1.00 51.13 N ATOM 1584 CA ARG A 100 13.668 4.756 1.735 1.00 25.32 C ATOM 1585 C ARG A 100 12.348 5.262 2.296 1.00 2.30 C ATOM 1586 O ARG A 100 12.204 5.358 3.511 1.00 22.22 O ATOM 1587 CB ARG A 100 14.723 5.842 1.502 1.00 5.31 C ATOM 1588 CG ARG A 100 14.384 6.996 0.560 1.00 34.33 C ATOM 1589 CD ARG A 100 13.588 8.095 1.266 1.00 30.11 C ATOM 1590 NE ARG A 100 13.321 9.247 0.391 1.00 34.43 N ATOM 1591 CZ ARG A 100 13.228 10.534 0.755 1.00 23.43 C ATOM 1592 NH1 ARG A 100 13.425 10.903 2.016 1.00 52.51 N ATOM 1593 NH2 ARG A 100 12.885 11.434 -0.151 1.00 72.01 N ATOM 0 H ARG A 100 13.819 4.331 -0.324 1.00 51.13 H new ATOM 0 HA ARG A 100 14.103 4.126 2.511 1.00 25.32 H new ATOM 0 HB2 ARG A 100 14.979 6.269 2.472 1.00 5.31 H new ATOM 0 HB3 ARG A 100 15.621 5.356 1.121 1.00 5.31 H new ATOM 0 HG2 ARG A 100 15.305 7.417 0.156 1.00 34.33 H new ATOM 0 HG3 ARG A 100 13.809 6.618 -0.285 1.00 34.33 H new ATOM 0 HD2 ARG A 100 12.642 7.684 1.619 1.00 30.11 H new ATOM 0 HD3 ARG A 100 14.138 8.430 2.145 1.00 30.11 H new ATOM 0 HE ARG A 100 13.193 9.045 -0.600 1.00 34.43 H new ATOM 0 HH11 ARG A 100 13.651 10.203 2.723 1.00 52.51 H new ATOM 0 HH12 ARG A 100 13.351 11.886 2.277 1.00 52.51 H new ATOM 0 HH21 ARG A 100 12.696 11.145 -1.111 1.00 72.01 H new ATOM 0 HH22 ARG A 100 12.810 12.417 0.110 1.00 72.01 H new ATOM 1607 N CYS A 101 11.377 5.539 1.418 1.00 1.44 N ATOM 1608 CA CYS A 101 10.024 5.906 1.797 1.00 51.53 C ATOM 1609 C CYS A 101 9.421 4.850 2.713 1.00 71.34 C ATOM 1610 O CYS A 101 9.024 5.159 3.832 1.00 13.34 O ATOM 1611 CB CYS A 101 9.178 6.088 0.535 1.00 31.21 C ATOM 1612 SG CYS A 101 9.717 7.573 -0.334 1.00 34.12 S ATOM 0 H CYS A 101 11.521 5.512 0.409 1.00 1.44 H new ATOM 0 HA CYS A 101 10.044 6.847 2.347 1.00 51.53 H new ATOM 0 HB2 CYS A 101 9.278 5.217 -0.113 1.00 31.21 H new ATOM 0 HB3 CYS A 101 8.124 6.169 0.799 1.00 31.21 H new ATOM 0 HG CYS A 101 9.135 7.632 -1.495 1.00 34.12 H new ATOM 1618 N MET A 102 9.351 3.604 2.248 1.00 64.41 N ATOM 1619 CA MET A 102 8.731 2.548 3.030 1.00 75.45 C ATOM 1620 C MET A 102 9.542 2.237 4.287 1.00 61.42 C ATOM 1621 O MET A 102 8.929 1.996 5.327 1.00 11.43 O ATOM 1622 CB MET A 102 8.519 1.307 2.159 1.00 34.34 C ATOM 1623 CG MET A 102 7.492 1.553 1.046 1.00 63.53 C ATOM 1624 SD MET A 102 5.828 1.976 1.615 1.00 44.00 S ATOM 1625 CE MET A 102 5.110 0.347 1.924 1.00 63.54 C ATOM 0 H MET A 102 9.714 3.307 1.342 1.00 64.41 H new ATOM 0 HA MET A 102 7.754 2.891 3.369 1.00 75.45 H new ATOM 0 HB2 MET A 102 9.469 1.009 1.716 1.00 34.34 H new ATOM 0 HB3 MET A 102 8.185 0.479 2.784 1.00 34.34 H new ATOM 0 HG2 MET A 102 7.857 2.358 0.408 1.00 63.53 H new ATOM 0 HG3 MET A 102 7.430 0.659 0.426 1.00 63.53 H new ATOM 0 HE1 MET A 102 4.349 0.426 2.700 1.00 63.54 H new ATOM 0 HE2 MET A 102 4.656 -0.030 1.008 1.00 63.54 H new ATOM 0 HE3 MET A 102 5.891 -0.339 2.251 1.00 63.54 H new ATOM 1635 N ARG A 103 10.880 2.301 4.246 1.00 54.21 N ATOM 1636 CA ARG A 103 11.707 2.074 5.432 1.00 61.20 C ATOM 1637 C ARG A 103 11.356 3.065 6.553 1.00 61.41 C ATOM 1638 O ARG A 103 11.322 2.678 7.724 1.00 70.54 O ATOM 1639 CB ARG A 103 13.202 2.121 5.057 1.00 53.21 C ATOM 1640 CG ARG A 103 14.071 1.553 6.189 1.00 22.22 C ATOM 1641 CD ARG A 103 15.552 1.881 5.970 1.00 40.32 C ATOM 1642 NE ARG A 103 16.403 1.417 7.083 1.00 43.03 N ATOM 1643 CZ ARG A 103 16.771 0.161 7.365 1.00 60.04 C ATOM 1644 NH1 ARG A 103 16.363 -0.853 6.612 1.00 65.22 N ATOM 1645 NH2 ARG A 103 17.514 -0.097 8.429 1.00 31.12 N ATOM 0 H ARG A 103 11.411 2.509 3.400 1.00 54.21 H new ATOM 0 HA ARG A 103 11.496 1.078 5.821 1.00 61.20 H new ATOM 0 HB2 ARG A 103 13.370 1.550 4.144 1.00 53.21 H new ATOM 0 HB3 ARG A 103 13.496 3.150 4.849 1.00 53.21 H new ATOM 0 HG2 ARG A 103 13.742 1.963 7.144 1.00 22.22 H new ATOM 0 HG3 ARG A 103 13.940 0.472 6.244 1.00 22.22 H new ATOM 0 HD2 ARG A 103 15.890 1.420 5.042 1.00 40.32 H new ATOM 0 HD3 ARG A 103 15.669 2.958 5.852 1.00 40.32 H new ATOM 0 HE ARG A 103 16.752 2.139 7.713 1.00 43.03 H new ATOM 0 HH11 ARG A 103 15.761 -0.680 5.807 1.00 65.22 H new ATOM 0 HH12 ARG A 103 16.651 -1.805 6.839 1.00 65.22 H new ATOM 0 HH21 ARG A 103 17.810 0.664 9.041 1.00 31.12 H new ATOM 0 HH22 ARG A 103 17.790 -1.056 8.637 1.00 31.12 H new ATOM 1659 N SER A 104 11.055 4.326 6.231 1.00 62.04 N ATOM 1660 CA SER A 104 10.690 5.346 7.183 1.00 74.42 C ATOM 1661 C SER A 104 9.352 5.073 7.892 1.00 30.45 C ATOM 1662 O SER A 104 9.070 5.725 8.902 1.00 4.23 O ATOM 1663 CB SER A 104 10.638 6.647 6.385 1.00 2.03 C ATOM 1664 OG SER A 104 11.934 7.054 5.972 1.00 63.45 O ATOM 0 H SER A 104 11.063 4.662 5.268 1.00 62.04 H new ATOM 0 HA SER A 104 11.419 5.383 7.992 1.00 74.42 H new ATOM 0 HB2 SER A 104 10.001 6.514 5.511 1.00 2.03 H new ATOM 0 HB3 SER A 104 10.185 7.431 6.993 1.00 2.03 H new ATOM 0 HG SER A 104 12.169 6.599 5.136 1.00 63.45 H new ATOM 1670 N LEU A 105 8.521 4.133 7.428 1.00 64.21 N ATOM 1671 CA LEU A 105 7.285 3.767 8.107 1.00 21.41 C ATOM 1672 C LEU A 105 7.631 2.948 9.347 1.00 43.31 C ATOM 1673 O LEU A 105 8.437 2.021 9.282 1.00 42.31 O ATOM 1674 CB LEU A 105 6.373 3.003 7.135 1.00 3.43 C ATOM 1675 CG LEU A 105 4.886 3.372 7.274 1.00 24.31 C ATOM 1676 CD1 LEU A 105 4.153 3.073 5.975 1.00 33.41 C ATOM 1677 CD2 LEU A 105 4.139 2.654 8.358 1.00 23.43 C ATOM 0 H LEU A 105 8.692 3.608 6.570 1.00 64.21 H new ATOM 0 HA LEU A 105 6.740 4.654 8.431 1.00 21.41 H new ATOM 0 HB2 LEU A 105 6.695 3.203 6.113 1.00 3.43 H new ATOM 0 HB3 LEU A 105 6.491 1.933 7.303 1.00 3.43 H new ATOM 0 HG LEU A 105 4.902 4.431 7.530 1.00 24.31 H new ATOM 0 HD11 LEU A 105 3.101 3.337 6.082 1.00 33.41 H new ATOM 0 HD12 LEU A 105 4.593 3.656 5.166 1.00 33.41 H new ATOM 0 HD13 LEU A 105 4.239 2.011 5.745 1.00 33.41 H new ATOM 0 HD21 LEU A 105 3.102 2.989 8.368 1.00 23.43 H new ATOM 0 HD22 LEU A 105 4.172 1.580 8.173 1.00 23.43 H new ATOM 0 HD23 LEU A 105 4.600 2.870 9.322 1.00 23.43 H new ATOM 1689 N LYS A 106 7.065 3.327 10.491 1.00 2.12 N ATOM 1690 CA LYS A 106 7.238 2.613 11.748 1.00 20.41 C ATOM 1691 C LYS A 106 6.473 1.299 11.708 1.00 22.44 C ATOM 1692 O LYS A 106 7.067 0.253 11.981 1.00 44.33 O ATOM 1693 CB LYS A 106 6.779 3.485 12.929 1.00 13.32 C ATOM 1694 CG LYS A 106 7.844 4.518 13.324 1.00 55.41 C ATOM 1695 CD LYS A 106 8.973 3.828 14.097 1.00 52.34 C ATOM 1696 CE LYS A 106 10.060 4.815 14.513 1.00 70.52 C ATOM 1697 NZ LYS A 106 11.053 4.127 15.357 1.00 74.12 N ATOM 0 H LYS A 106 6.466 4.149 10.569 1.00 2.12 H new ATOM 0 HA LYS A 106 8.296 2.391 11.888 1.00 20.41 H new ATOM 0 HB2 LYS A 106 5.855 3.999 12.664 1.00 13.32 H new ATOM 0 HB3 LYS A 106 6.555 2.849 13.785 1.00 13.32 H new ATOM 0 HG2 LYS A 106 8.244 5.001 12.432 1.00 55.41 H new ATOM 0 HG3 LYS A 106 7.396 5.300 13.937 1.00 55.41 H new ATOM 0 HD2 LYS A 106 8.563 3.343 14.983 1.00 52.34 H new ATOM 0 HD3 LYS A 106 9.411 3.044 13.479 1.00 52.34 H new ATOM 0 HE2 LYS A 106 10.544 5.232 13.630 1.00 70.52 H new ATOM 0 HE3 LYS A 106 9.619 5.649 15.059 1.00 70.52 H new ATOM 0 HZ1 LYS A 106 11.794 4.800 15.640 1.00 74.12 H new ATOM 0 HZ2 LYS A 106 10.585 3.749 16.206 1.00 74.12 H new ATOM 0 HZ3 LYS A 106 11.482 3.345 14.821 1.00 74.12 H new ATOM 1711 N ALA A 107 5.185 1.367 11.366 1.00 4.14 N ATOM 1712 CA ALA A 107 4.337 0.200 11.194 1.00 54.13 C ATOM 1713 C ALA A 107 4.904 -0.687 10.075 1.00 3.34 C ATOM 1714 O ALA A 107 5.605 -0.185 9.186 1.00 44.32 O ATOM 1715 CB ALA A 107 2.906 0.677 10.905 1.00 22.31 C ATOM 0 H ALA A 107 4.701 2.249 11.200 1.00 4.14 H new ATOM 0 HA ALA A 107 4.313 -0.408 12.098 1.00 54.13 H new ATOM 0 HB1 ALA A 107 2.254 -0.187 10.773 1.00 22.31 H new ATOM 0 HB2 ALA A 107 2.547 1.278 11.741 1.00 22.31 H new ATOM 0 HB3 ALA A 107 2.900 1.279 9.996 1.00 22.31 H new ATOM 1721 N PRO A 108 4.645 -2.003 10.096 1.00 65.34 N ATOM 1722 CA PRO A 108 5.128 -2.877 9.051 1.00 23.21 C ATOM 1723 C PRO A 108 4.220 -2.684 7.839 1.00 2.02 C ATOM 1724 O PRO A 108 3.003 -2.547 7.982 1.00 43.00 O ATOM 1725 CB PRO A 108 5.043 -4.289 9.627 1.00 22.33 C ATOM 1726 CG PRO A 108 3.797 -4.199 10.501 1.00 73.15 C ATOM 1727 CD PRO A 108 3.784 -2.746 11.005 1.00 63.35 C ATOM 0 HA PRO A 108 6.151 -2.676 8.733 1.00 23.21 H new ATOM 0 HB2 PRO A 108 4.940 -5.043 8.846 1.00 22.33 H new ATOM 0 HB3 PRO A 108 5.930 -4.548 10.206 1.00 22.33 H new ATOM 0 HG2 PRO A 108 2.896 -4.430 9.933 1.00 73.15 H new ATOM 0 HG3 PRO A 108 3.841 -4.906 11.329 1.00 73.15 H new ATOM 0 HD2 PRO A 108 2.772 -2.341 11.004 1.00 63.35 H new ATOM 0 HD3 PRO A 108 4.151 -2.684 12.029 1.00 63.35 H new ATOM 1735 N ALA A 109 4.795 -2.703 6.643 1.00 72.30 N ATOM 1736 CA ALA A 109 4.022 -2.773 5.424 1.00 75.45 C ATOM 1737 C ALA A 109 4.661 -3.838 4.557 1.00 55.12 C ATOM 1738 O ALA A 109 5.739 -3.641 3.989 1.00 40.50 O ATOM 1739 CB ALA A 109 3.907 -1.414 4.750 1.00 33.11 C ATOM 0 H ALA A 109 5.804 -2.670 6.498 1.00 72.30 H new ATOM 0 HA ALA A 109 2.988 -3.053 5.626 1.00 75.45 H new ATOM 0 HB1 ALA A 109 3.319 -1.509 3.837 1.00 33.11 H new ATOM 0 HB2 ALA A 109 3.417 -0.713 5.426 1.00 33.11 H new ATOM 0 HB3 ALA A 109 4.902 -1.045 4.503 1.00 33.11 H new ATOM 1745 N VAL A 110 4.005 -4.991 4.510 1.00 23.04 N ATOM 1746 CA VAL A 110 4.326 -6.026 3.546 1.00 2.34 C ATOM 1747 C VAL A 110 4.096 -5.397 2.171 1.00 52.22 C ATOM 1748 O VAL A 110 3.071 -4.735 1.972 1.00 24.50 O ATOM 1749 CB VAL A 110 3.430 -7.248 3.819 1.00 70.42 C ATOM 1750 CG1 VAL A 110 3.632 -8.379 2.802 1.00 74.12 C ATOM 1751 CG2 VAL A 110 3.737 -7.806 5.217 1.00 14.20 C ATOM 0 H VAL A 110 3.238 -5.231 5.139 1.00 23.04 H new ATOM 0 HA VAL A 110 5.354 -6.383 3.608 1.00 2.34 H new ATOM 0 HB VAL A 110 2.399 -6.902 3.740 1.00 70.42 H new ATOM 0 HG11 VAL A 110 2.973 -9.212 3.048 1.00 74.12 H new ATOM 0 HG12 VAL A 110 3.399 -8.015 1.802 1.00 74.12 H new ATOM 0 HG13 VAL A 110 4.668 -8.715 2.833 1.00 74.12 H new ATOM 0 HG21 VAL A 110 3.103 -8.671 5.411 1.00 14.20 H new ATOM 0 HG22 VAL A 110 4.784 -8.105 5.268 1.00 14.20 H new ATOM 0 HG23 VAL A 110 3.542 -7.038 5.966 1.00 14.20 H new ATOM 1761 N VAL A 111 5.016 -5.595 1.224 1.00 52.54 N ATOM 1762 CA VAL A 111 4.800 -5.129 -0.144 1.00 3.14 C ATOM 1763 C VAL A 111 5.018 -6.249 -1.138 1.00 12.31 C ATOM 1764 O VAL A 111 5.775 -7.178 -0.869 1.00 3.14 O ATOM 1765 CB VAL A 111 5.595 -3.853 -0.499 1.00 33.05 C ATOM 1766 CG1 VAL A 111 5.357 -2.686 0.461 1.00 23.34 C ATOM 1767 CG2 VAL A 111 7.104 -4.080 -0.564 1.00 1.22 C ATOM 0 H VAL A 111 5.906 -6.069 1.378 1.00 52.54 H new ATOM 0 HA VAL A 111 3.755 -4.827 -0.208 1.00 3.14 H new ATOM 0 HB VAL A 111 5.210 -3.596 -1.486 1.00 33.05 H new ATOM 0 HG11 VAL A 111 5.950 -1.828 0.145 1.00 23.34 H new ATOM 0 HG12 VAL A 111 4.300 -2.419 0.454 1.00 23.34 H new ATOM 0 HG13 VAL A 111 5.651 -2.978 1.469 1.00 23.34 H new ATOM 0 HG21 VAL A 111 7.602 -3.144 -0.818 1.00 1.22 H new ATOM 0 HG22 VAL A 111 7.461 -4.430 0.404 1.00 1.22 H new ATOM 0 HG23 VAL A 111 7.327 -4.828 -1.325 1.00 1.22 H new ATOM 1777 N SER A 112 4.375 -6.136 -2.295 1.00 33.23 N ATOM 1778 CA SER A 112 4.545 -7.044 -3.409 1.00 23.13 C ATOM 1779 C SER A 112 5.054 -6.222 -4.592 1.00 45.21 C ATOM 1780 O SER A 112 4.843 -5.006 -4.630 1.00 22.11 O ATOM 1781 CB SER A 112 3.227 -7.802 -3.633 1.00 72.21 C ATOM 1782 OG SER A 112 2.659 -7.640 -4.918 1.00 20.53 O ATOM 0 H SER A 112 3.706 -5.390 -2.483 1.00 33.23 H new ATOM 0 HA SER A 112 5.288 -7.822 -3.235 1.00 23.13 H new ATOM 0 HB2 SER A 112 3.401 -8.864 -3.460 1.00 72.21 H new ATOM 0 HB3 SER A 112 2.504 -7.472 -2.887 1.00 72.21 H new ATOM 0 HG SER A 112 2.423 -8.518 -5.284 1.00 20.53 H new ATOM 1788 N VAL A 113 5.712 -6.880 -5.547 1.00 13.40 N ATOM 1789 CA VAL A 113 6.230 -6.270 -6.767 1.00 3.25 C ATOM 1790 C VAL A 113 6.039 -7.204 -7.964 1.00 2.34 C ATOM 1791 O VAL A 113 5.468 -8.294 -7.852 1.00 41.21 O ATOM 1792 CB VAL A 113 7.708 -5.864 -6.591 1.00 41.03 C ATOM 1793 CG1 VAL A 113 7.831 -4.687 -5.612 1.00 75.04 C ATOM 1794 CG2 VAL A 113 8.568 -7.073 -6.176 1.00 3.33 C ATOM 0 H VAL A 113 5.904 -7.880 -5.489 1.00 13.40 H new ATOM 0 HA VAL A 113 5.662 -5.361 -6.967 1.00 3.25 H new ATOM 0 HB VAL A 113 8.095 -5.523 -7.551 1.00 41.03 H new ATOM 0 HG11 VAL A 113 8.881 -4.415 -5.500 1.00 75.04 H new ATOM 0 HG12 VAL A 113 7.274 -3.833 -5.998 1.00 75.04 H new ATOM 0 HG13 VAL A 113 7.426 -4.977 -4.642 1.00 75.04 H new ATOM 0 HG21 VAL A 113 9.605 -6.759 -6.059 1.00 3.33 H new ATOM 0 HG22 VAL A 113 8.201 -7.473 -5.231 1.00 3.33 H new ATOM 0 HG23 VAL A 113 8.507 -7.844 -6.944 1.00 3.33 H new ATOM 1804 N SER A 114 6.531 -6.756 -9.116 1.00 14.54 N ATOM 1805 CA SER A 114 6.372 -7.351 -10.423 1.00 12.15 C ATOM 1806 C SER A 114 6.891 -8.794 -10.510 1.00 43.41 C ATOM 1807 O SER A 114 6.195 -9.634 -11.081 1.00 44.00 O ATOM 1808 CB SER A 114 7.068 -6.435 -11.435 1.00 71.11 C ATOM 1809 OG SER A 114 6.710 -5.073 -11.252 1.00 12.25 O ATOM 0 H SER A 114 7.091 -5.904 -9.154 1.00 14.54 H new ATOM 0 HA SER A 114 5.308 -7.434 -10.644 1.00 12.15 H new ATOM 0 HB2 SER A 114 8.148 -6.542 -11.338 1.00 71.11 H new ATOM 0 HB3 SER A 114 6.806 -6.746 -12.446 1.00 71.11 H new ATOM 0 HG SER A 114 7.175 -4.521 -11.915 1.00 12.25 H new ATOM 1815 N SER A 115 8.084 -9.109 -9.983 1.00 4.33 N ATOM 1816 CA SER A 115 8.696 -10.429 -10.152 1.00 13.35 C ATOM 1817 C SER A 115 9.536 -10.831 -8.931 1.00 15.51 C ATOM 1818 O SER A 115 9.995 -9.948 -8.207 1.00 62.03 O ATOM 1819 CB SER A 115 9.520 -10.433 -11.452 1.00 31.14 C ATOM 1820 OG SER A 115 10.609 -9.529 -11.456 1.00 73.34 O ATOM 0 H SER A 115 8.645 -8.459 -9.432 1.00 4.33 H new ATOM 0 HA SER A 115 7.911 -11.181 -10.230 1.00 13.35 H new ATOM 0 HB2 SER A 115 9.899 -11.440 -11.625 1.00 31.14 H new ATOM 0 HB3 SER A 115 8.861 -10.193 -12.286 1.00 31.14 H new ATOM 0 HG SER A 115 11.083 -9.591 -12.312 1.00 73.34 H new ATOM 1826 N PRO A 116 9.806 -12.133 -8.717 1.00 73.45 N ATOM 1827 CA PRO A 116 10.620 -12.640 -7.611 1.00 2.35 C ATOM 1828 C PRO A 116 12.086 -12.222 -7.680 1.00 33.31 C ATOM 1829 O PRO A 116 12.781 -12.229 -6.668 1.00 25.23 O ATOM 1830 CB PRO A 116 10.472 -14.158 -7.664 1.00 4.41 C ATOM 1831 CG PRO A 116 10.141 -14.451 -9.118 1.00 53.01 C ATOM 1832 CD PRO A 116 9.278 -13.251 -9.483 1.00 61.42 C ATOM 0 HA PRO A 116 10.273 -12.217 -6.668 1.00 2.35 H new ATOM 0 HB2 PRO A 116 11.390 -14.658 -7.356 1.00 4.41 H new ATOM 0 HB3 PRO A 116 9.682 -14.504 -6.998 1.00 4.41 H new ATOM 0 HG2 PRO A 116 11.036 -14.516 -9.737 1.00 53.01 H new ATOM 0 HG3 PRO A 116 9.604 -15.392 -9.234 1.00 53.01 H new ATOM 0 HD2 PRO A 116 9.324 -13.048 -10.553 1.00 61.42 H new ATOM 0 HD3 PRO A 116 8.232 -13.433 -9.238 1.00 61.42 H new ATOM 1840 N ASP A 117 12.583 -11.847 -8.856 1.00 31.25 N ATOM 1841 CA ASP A 117 13.910 -11.252 -8.966 1.00 61.13 C ATOM 1842 C ASP A 117 13.899 -9.820 -8.453 1.00 2.13 C ATOM 1843 O ASP A 117 14.862 -9.393 -7.816 1.00 24.41 O ATOM 1844 CB ASP A 117 14.418 -11.329 -10.408 1.00 64.55 C ATOM 1845 CG ASP A 117 15.059 -12.684 -10.706 1.00 3.44 C ATOM 1846 OD1 ASP A 117 15.821 -13.191 -9.852 1.00 71.12 O ATOM 1847 OD2 ASP A 117 14.846 -13.208 -11.824 1.00 4.00 O ATOM 0 H ASP A 117 12.088 -11.945 -9.743 1.00 31.25 H new ATOM 0 HA ASP A 117 14.599 -11.821 -8.342 1.00 61.13 H new ATOM 0 HB2 ASP A 117 13.590 -11.158 -11.096 1.00 64.55 H new ATOM 0 HB3 ASP A 117 15.145 -10.536 -10.581 1.00 64.55 H new ATOM 1852 N ALA A 118 12.800 -9.099 -8.683 1.00 11.31 N ATOM 1853 CA ALA A 118 12.658 -7.697 -8.334 1.00 53.20 C ATOM 1854 C ALA A 118 12.608 -7.501 -6.811 1.00 35.41 C ATOM 1855 O ALA A 118 13.056 -6.461 -6.323 1.00 53.24 O ATOM 1856 CB ALA A 118 11.409 -7.150 -9.055 1.00 1.04 C ATOM 0 H ALA A 118 11.969 -9.489 -9.128 1.00 11.31 H new ATOM 0 HA ALA A 118 13.529 -7.131 -8.666 1.00 53.20 H new ATOM 0 HB1 ALA A 118 11.279 -6.096 -8.809 1.00 1.04 H new ATOM 0 HB2 ALA A 118 11.534 -7.259 -10.132 1.00 1.04 H new ATOM 0 HB3 ALA A 118 10.530 -7.708 -8.734 1.00 1.04 H new ATOM 1862 N VAL A 119 12.110 -8.501 -6.070 1.00 53.13 N ATOM 1863 CA VAL A 119 11.980 -8.523 -4.611 1.00 43.31 C ATOM 1864 C VAL A 119 13.300 -8.103 -3.973 1.00 65.04 C ATOM 1865 O VAL A 119 13.365 -7.081 -3.287 1.00 1.15 O ATOM 1866 CB VAL A 119 11.518 -9.927 -4.144 1.00 71.04 C ATOM 1867 CG1 VAL A 119 11.363 -10.096 -2.622 1.00 55.11 C ATOM 1868 CG2 VAL A 119 10.152 -10.242 -4.747 1.00 32.10 C ATOM 0 H VAL A 119 11.769 -9.362 -6.498 1.00 53.13 H new ATOM 0 HA VAL A 119 11.220 -7.810 -4.291 1.00 43.31 H new ATOM 0 HB VAL A 119 12.311 -10.597 -4.476 1.00 71.04 H new ATOM 0 HG11 VAL A 119 11.037 -11.112 -2.400 1.00 55.11 H new ATOM 0 HG12 VAL A 119 12.320 -9.908 -2.136 1.00 55.11 H new ATOM 0 HG13 VAL A 119 10.622 -9.388 -2.251 1.00 55.11 H new ATOM 0 HG21 VAL A 119 9.828 -11.229 -4.418 1.00 32.10 H new ATOM 0 HG22 VAL A 119 9.429 -9.495 -4.420 1.00 32.10 H new ATOM 0 HG23 VAL A 119 10.222 -10.227 -5.835 1.00 32.10 H new ATOM 1878 N THR A 120 14.349 -8.883 -4.224 1.00 15.24 N ATOM 1879 CA THR A 120 15.656 -8.711 -3.621 1.00 32.45 C ATOM 1880 C THR A 120 16.350 -7.422 -4.056 1.00 40.01 C ATOM 1881 O THR A 120 17.123 -6.887 -3.262 1.00 2.05 O ATOM 1882 CB THR A 120 16.450 -9.995 -3.901 1.00 24.42 C ATOM 1883 OG1 THR A 120 15.946 -10.981 -3.025 1.00 44.03 O ATOM 1884 CG2 THR A 120 17.961 -9.905 -3.725 1.00 63.13 C ATOM 0 H THR A 120 14.306 -9.671 -4.870 1.00 15.24 H new ATOM 0 HA THR A 120 15.571 -8.576 -2.543 1.00 32.45 H new ATOM 0 HB THR A 120 16.315 -10.222 -4.959 1.00 24.42 H new ATOM 0 HG1 THR A 120 16.425 -11.823 -3.170 1.00 44.03 H new ATOM 0 HG21 THR A 120 18.412 -10.871 -3.950 1.00 63.13 H new ATOM 0 HG22 THR A 120 18.362 -9.151 -4.402 1.00 63.13 H new ATOM 0 HG23 THR A 120 18.192 -9.628 -2.696 1.00 63.13 H new ATOM 1892 N THR A 121 16.048 -6.881 -5.238 1.00 5.35 N ATOM 1893 CA THR A 121 16.602 -5.609 -5.676 1.00 2.03 C ATOM 1894 C THR A 121 16.161 -4.503 -4.707 1.00 25.43 C ATOM 1895 O THR A 121 16.999 -3.832 -4.104 1.00 61.31 O ATOM 1896 CB THR A 121 16.175 -5.356 -7.133 1.00 0.32 C ATOM 1897 OG1 THR A 121 16.285 -6.534 -7.905 1.00 1.21 O ATOM 1898 CG2 THR A 121 17.014 -4.276 -7.808 1.00 22.23 C ATOM 0 H THR A 121 15.416 -7.313 -5.911 1.00 5.35 H new ATOM 0 HA THR A 121 17.692 -5.621 -5.659 1.00 2.03 H new ATOM 0 HB THR A 121 15.138 -5.024 -7.084 1.00 0.32 H new ATOM 0 HG1 THR A 121 16.007 -6.349 -8.826 1.00 1.21 H new ATOM 0 HG21 THR A 121 16.671 -4.137 -8.833 1.00 22.23 H new ATOM 0 HG22 THR A 121 16.910 -3.339 -7.261 1.00 22.23 H new ATOM 0 HG23 THR A 121 18.061 -4.579 -7.813 1.00 22.23 H new ATOM 1906 N TYR A 122 14.848 -4.355 -4.506 1.00 33.22 N ATOM 1907 CA TYR A 122 14.286 -3.369 -3.582 1.00 72.50 C ATOM 1908 C TYR A 122 14.696 -3.670 -2.138 1.00 25.11 C ATOM 1909 O TYR A 122 15.014 -2.763 -1.373 1.00 11.13 O ATOM 1910 CB TYR A 122 12.762 -3.433 -3.679 1.00 55.12 C ATOM 1911 CG TYR A 122 11.973 -2.448 -2.833 1.00 34.33 C ATOM 1912 CD1 TYR A 122 11.694 -2.709 -1.475 1.00 34.53 C ATOM 1913 CD2 TYR A 122 11.414 -1.311 -3.436 1.00 13.30 C ATOM 1914 CE1 TYR A 122 10.895 -1.825 -0.730 1.00 15.10 C ATOM 1915 CE2 TYR A 122 10.620 -0.419 -2.706 1.00 64.21 C ATOM 1916 CZ TYR A 122 10.362 -0.676 -1.348 1.00 25.24 C ATOM 1917 OH TYR A 122 9.585 0.171 -0.639 1.00 21.02 O ATOM 0 H TYR A 122 14.144 -4.919 -4.982 1.00 33.22 H new ATOM 0 HA TYR A 122 14.660 -2.381 -3.851 1.00 72.50 H new ATOM 0 HB2 TYR A 122 12.483 -3.283 -4.722 1.00 55.12 H new ATOM 0 HB3 TYR A 122 12.448 -4.441 -3.407 1.00 55.12 H new ATOM 0 HD1 TYR A 122 12.097 -3.594 -1.005 1.00 34.53 H new ATOM 0 HD2 TYR A 122 11.600 -1.121 -4.483 1.00 13.30 H new ATOM 0 HE1 TYR A 122 10.690 -2.025 0.311 1.00 15.10 H new ATOM 0 HE2 TYR A 122 10.209 0.459 -3.182 1.00 64.21 H new ATOM 0 HH TYR A 122 9.689 1.081 -0.989 1.00 21.02 H new ATOM 1927 N ASN A 123 14.638 -4.944 -1.739 1.00 31.45 N ATOM 1928 CA ASN A 123 14.929 -5.349 -0.363 1.00 1.53 C ATOM 1929 C ASN A 123 16.418 -5.184 -0.034 1.00 40.41 C ATOM 1930 O ASN A 123 16.779 -5.059 1.133 1.00 24.22 O ATOM 1931 CB ASN A 123 14.451 -6.789 -0.130 1.00 24.41 C ATOM 1932 CG ASN A 123 14.252 -7.123 1.345 1.00 50.43 C ATOM 1933 OD1 ASN A 123 14.134 -6.248 2.203 1.00 33.43 O ATOM 1934 ND2 ASN A 123 14.110 -8.399 1.658 1.00 51.53 N ATOM 0 H ASN A 123 14.390 -5.717 -2.356 1.00 31.45 H new ATOM 0 HA ASN A 123 14.384 -4.694 0.316 1.00 1.53 H new ATOM 0 HB2 ASN A 123 13.512 -6.944 -0.661 1.00 24.41 H new ATOM 0 HB3 ASN A 123 15.177 -7.480 -0.558 1.00 24.41 H new ATOM 0 HD21 ASN A 123 13.900 -8.668 2.619 1.00 51.53 H new ATOM 0 HD22 ASN A 123 14.210 -9.115 0.938 1.00 51.53 H new ATOM 1941 N GLY A 124 17.270 -5.122 -1.063 1.00 40.24 N ATOM 1942 CA GLY A 124 18.645 -4.669 -0.978 1.00 11.20 C ATOM 1943 C GLY A 124 18.652 -3.170 -0.728 1.00 41.13 C ATOM 1944 O GLY A 124 19.191 -2.738 0.288 1.00 72.32 O ATOM 0 H GLY A 124 17.002 -5.398 -2.008 1.00 40.24 H new ATOM 0 HA2 GLY A 124 19.164 -5.188 -0.173 1.00 11.20 H new ATOM 0 HA3 GLY A 124 19.176 -4.900 -1.901 1.00 11.20 H new ATOM 1948 N TYR A 125 18.006 -2.385 -1.601 1.00 32.22 N ATOM 1949 CA TYR A 125 17.943 -0.926 -1.503 1.00 1.40 C ATOM 1950 C TYR A 125 17.432 -0.424 -0.151 1.00 30.23 C ATOM 1951 O TYR A 125 17.815 0.671 0.256 1.00 1.32 O ATOM 1952 CB TYR A 125 17.098 -0.341 -2.639 1.00 43.14 C ATOM 1953 CG TYR A 125 17.597 -0.592 -4.057 1.00 34.45 C ATOM 1954 CD1 TYR A 125 18.967 -0.782 -4.344 1.00 51.53 C ATOM 1955 CD2 TYR A 125 16.663 -0.606 -5.110 1.00 4.43 C ATOM 1956 CE1 TYR A 125 19.393 -1.032 -5.660 1.00 12.43 C ATOM 1957 CE2 TYR A 125 17.082 -0.849 -6.427 1.00 53.31 C ATOM 1958 CZ TYR A 125 18.450 -1.072 -6.708 1.00 22.02 C ATOM 1959 OH TYR A 125 18.843 -1.338 -7.985 1.00 33.14 O ATOM 0 H TYR A 125 17.505 -2.756 -2.408 1.00 32.22 H new ATOM 0 HA TYR A 125 18.971 -0.576 -1.595 1.00 1.40 H new ATOM 0 HB2 TYR A 125 16.089 -0.745 -2.556 1.00 43.14 H new ATOM 0 HB3 TYR A 125 17.024 0.736 -2.489 1.00 43.14 H new ATOM 0 HD1 TYR A 125 19.693 -0.735 -3.546 1.00 51.53 H new ATOM 0 HD2 TYR A 125 15.618 -0.429 -4.903 1.00 4.43 H new ATOM 0 HE1 TYR A 125 20.440 -1.193 -5.868 1.00 12.43 H new ATOM 0 HE2 TYR A 125 16.358 -0.866 -7.228 1.00 53.31 H new ATOM 0 HH TYR A 125 18.062 -1.327 -8.577 1.00 33.14 H new ATOM 1969 N LEU A 126 16.631 -1.216 0.568 1.00 15.44 N ATOM 1970 CA LEU A 126 16.197 -0.945 1.930 1.00 11.22 C ATOM 1971 C LEU A 126 17.341 -0.775 2.935 1.00 44.01 C ATOM 1972 O LEU A 126 17.069 -0.288 4.027 1.00 12.21 O ATOM 1973 CB LEU A 126 15.282 -2.072 2.410 1.00 71.24 C ATOM 1974 CG LEU A 126 13.824 -1.610 2.430 1.00 4.21 C ATOM 1975 CD1 LEU A 126 12.928 -2.770 2.091 1.00 31.40 C ATOM 1976 CD2 LEU A 126 13.485 -1.119 3.825 1.00 31.10 C ATOM 0 H LEU A 126 16.258 -2.091 0.200 1.00 15.44 H new ATOM 0 HA LEU A 126 15.672 0.010 1.890 1.00 11.22 H new ATOM 0 HB2 LEU A 126 15.386 -2.937 1.754 1.00 71.24 H new ATOM 0 HB3 LEU A 126 15.582 -2.391 3.408 1.00 71.24 H new ATOM 0 HG LEU A 126 13.681 -0.810 1.703 1.00 4.21 H new ATOM 0 HD11 LEU A 126 11.888 -2.443 2.105 1.00 31.40 H new ATOM 0 HD12 LEU A 126 13.178 -3.144 1.098 1.00 31.40 H new ATOM 0 HD13 LEU A 126 13.068 -3.564 2.824 1.00 31.40 H new ATOM 0 HD21 LEU A 126 12.447 -0.787 3.852 1.00 31.10 H new ATOM 0 HD22 LEU A 126 13.625 -1.930 4.540 1.00 31.10 H new ATOM 0 HD23 LEU A 126 14.139 -0.287 4.087 1.00 31.10 H new