USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1020 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 112:sc= 1.2 USER MOD Set 1.2: A 123 ASN : amide:sc= 0.943 K(o=2.1,f=-3.2!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.544 K(o=0.0041,f=-1.7) USER MOD Set 2.2: A 23 LYS NZ :NH3+ 178:sc= 0.548 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0612 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.358 X(o=-0.36,f=-0.021) USER MOD Single : A 4 MET CE :methyl -165:sc= -0.0225 (180deg=-0.308) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.291 K(o=0.29,f=-2.7!) USER MOD Single : A 14 MET CE :methyl 179:sc= -0.275 (180deg=-0.277) USER MOD Single : A 21 THR OG1 : rot -50:sc= 1.15 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.692 USER MOD Single : A 29 MET CE :methyl 176:sc= -0.581 (180deg=-0.584) USER MOD Single : A 35 MET CE :methyl -159:sc= -0.153 (180deg=-0.55) USER MOD Single : A 37 THR OG1 : rot -140:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.015) USER MOD Single : A 41 LYS NZ :NH3+ -162:sc= 0.885 (180deg=0.367) USER MOD Single : A 42 TYR OH : rot 30:sc= -0.0385 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.0876 K(o=-0.088,f=-1.5!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0825 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0798 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 160:sc= -0.52 USER MOD Single : A 72 THR OG1 : rot 88:sc= 0.696 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 1.19 (180deg=1.18) USER MOD Single : A 75 ASN : amide:sc= 0.799 K(o=0.8,f=-7.1!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.0745 K(o=-0.075,f=-1.8!) USER MOD Single : A 83 THR OG1 : rot 137:sc= 1.26 USER MOD Single : A 84 MET CE :methyl 165:sc= -0.0166 (180deg=-0.0959) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= 0.0833 K(o=0.083,f=-1.7) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 CYS SG : rot 167:sc= 0.402 USER MOD Single : A 102 MET CE :methyl 174:sc= 0 (180deg=-0.0326) USER MOD Single : A 104 SER OG : rot 66:sc= 0.585 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 102:sc= 1.25 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot 170:sc= 0 USER MOD Single : A 121 THR OG1 : rot 73:sc= 0.707 USER MOD Single : A 122 TYR OH : rot 153:sc= 0.933 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0117 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.753 -19.672 7.820 1.00 42.33 N ATOM 2 CA GLY A 1 9.502 -18.403 7.129 1.00 43.04 C ATOM 3 C GLY A 1 9.911 -17.226 7.989 1.00 72.03 C ATOM 4 O GLY A 1 9.891 -17.311 9.220 1.00 43.42 O ATOM 0 H1 GLY A 1 10.517 -20.185 7.336 1.00 42.33 H new ATOM 0 H2 GLY A 1 10.032 -19.482 8.804 1.00 42.33 H new ATOM 0 H3 GLY A 1 8.888 -20.249 7.810 1.00 42.33 H new ATOM 0 HA2 GLY A 1 10.055 -18.381 6.190 1.00 43.04 H new ATOM 0 HA3 GLY A 1 8.444 -18.324 6.878 1.00 43.04 H new ATOM 8 N SER A 2 10.327 -16.143 7.339 1.00 30.40 N ATOM 9 CA SER A 2 10.888 -14.958 7.975 1.00 22.13 C ATOM 10 C SER A 2 9.762 -13.963 8.300 1.00 33.35 C ATOM 11 O SER A 2 8.608 -14.377 8.489 1.00 21.10 O ATOM 12 CB SER A 2 11.980 -14.401 7.051 1.00 31.13 C ATOM 13 OG SER A 2 12.870 -15.434 6.654 1.00 5.24 O ATOM 0 H SER A 2 10.281 -16.065 6.323 1.00 30.40 H new ATOM 0 HA SER A 2 11.358 -15.186 8.932 1.00 22.13 H new ATOM 0 HB2 SER A 2 11.524 -13.948 6.171 1.00 31.13 H new ATOM 0 HB3 SER A 2 12.533 -13.614 7.564 1.00 31.13 H new ATOM 0 HG SER A 2 13.559 -15.063 6.064 1.00 5.24 H new ATOM 19 N HIS A 3 10.057 -12.658 8.402 1.00 75.43 N ATOM 20 CA HIS A 3 8.988 -11.665 8.312 1.00 44.52 C ATOM 21 C HIS A 3 8.310 -11.726 6.938 1.00 11.34 C ATOM 22 O HIS A 3 8.761 -12.421 6.024 1.00 0.11 O ATOM 23 CB HIS A 3 9.457 -10.239 8.650 1.00 2.43 C ATOM 24 CG HIS A 3 10.228 -9.474 7.594 1.00 12.53 C ATOM 25 ND1 HIS A 3 10.310 -8.099 7.542 1.00 61.03 N ATOM 26 CD2 HIS A 3 10.947 -9.966 6.536 1.00 70.13 C ATOM 27 CE1 HIS A 3 11.053 -7.762 6.478 1.00 12.44 C ATOM 28 NE2 HIS A 3 11.457 -8.867 5.830 1.00 35.30 N ATOM 0 H HIS A 3 10.994 -12.280 8.542 1.00 75.43 H new ATOM 0 HA HIS A 3 8.252 -11.922 9.074 1.00 44.52 H new ATOM 0 HB2 HIS A 3 8.577 -9.652 8.912 1.00 2.43 H new ATOM 0 HB3 HIS A 3 10.080 -10.295 9.543 1.00 2.43 H new ATOM 0 HD2 HIS A 3 11.094 -11.008 6.291 1.00 70.13 H new ATOM 0 HE1 HIS A 3 11.292 -6.750 6.185 1.00 12.44 H new ATOM 0 HE2 HIS A 3 12.027 -8.900 4.985 1.00 35.30 H new ATOM 36 N MET A 4 7.225 -10.970 6.783 1.00 11.14 N ATOM 37 CA MET A 4 6.558 -10.819 5.502 1.00 34.41 C ATOM 38 C MET A 4 7.367 -9.842 4.665 1.00 25.02 C ATOM 39 O MET A 4 8.151 -10.252 3.807 1.00 33.23 O ATOM 40 CB MET A 4 5.092 -10.437 5.724 1.00 41.01 C ATOM 41 CG MET A 4 4.342 -11.658 6.263 1.00 65.42 C ATOM 42 SD MET A 4 2.681 -11.393 6.928 1.00 62.01 S ATOM 43 CE MET A 4 3.067 -10.329 8.341 1.00 3.44 C ATOM 0 H MET A 4 6.788 -10.448 7.543 1.00 11.14 H new ATOM 0 HA MET A 4 6.518 -11.751 4.939 1.00 34.41 H new ATOM 0 HB2 MET A 4 5.020 -9.608 6.428 1.00 41.01 H new ATOM 0 HB3 MET A 4 4.644 -10.101 4.789 1.00 41.01 H new ATOM 0 HG2 MET A 4 4.269 -12.390 5.458 1.00 65.42 H new ATOM 0 HG3 MET A 4 4.951 -12.107 7.048 1.00 65.42 H new ATOM 0 HE1 MET A 4 2.208 -10.287 9.011 1.00 3.44 H new ATOM 0 HE2 MET A 4 3.926 -10.733 8.877 1.00 3.44 H new ATOM 0 HE3 MET A 4 3.300 -9.325 7.987 1.00 3.44 H new ATOM 53 N GLY A 5 7.242 -8.565 4.994 1.00 40.21 N ATOM 54 CA GLY A 5 7.915 -7.473 4.308 1.00 23.23 C ATOM 55 C GLY A 5 7.660 -7.552 2.803 1.00 2.51 C ATOM 56 O GLY A 5 6.511 -7.633 2.373 1.00 40.04 O ATOM 0 H GLY A 5 6.654 -8.252 5.766 1.00 40.21 H new ATOM 0 HA2 GLY A 5 7.559 -6.518 4.694 1.00 23.23 H new ATOM 0 HA3 GLY A 5 8.986 -7.517 4.505 1.00 23.23 H new ATOM 60 N THR A 6 8.718 -7.487 2.005 1.00 52.51 N ATOM 61 CA THR A 6 8.645 -7.518 0.550 1.00 21.13 C ATOM 62 C THR A 6 8.407 -8.958 0.088 1.00 21.10 C ATOM 63 O THR A 6 9.065 -9.874 0.580 1.00 72.22 O ATOM 64 CB THR A 6 9.967 -6.961 0.000 1.00 45.14 C ATOM 65 OG1 THR A 6 10.347 -5.819 0.761 1.00 62.32 O ATOM 66 CG2 THR A 6 9.888 -6.567 -1.476 1.00 60.12 C ATOM 0 H THR A 6 9.671 -7.410 2.359 1.00 52.51 H new ATOM 0 HA THR A 6 7.820 -6.910 0.180 1.00 21.13 H new ATOM 0 HB THR A 6 10.705 -7.759 0.083 1.00 45.14 H new ATOM 0 HG1 THR A 6 11.150 -6.026 1.284 1.00 62.32 H new ATOM 0 HG21 THR A 6 10.854 -6.181 -1.802 1.00 60.12 H new ATOM 0 HG22 THR A 6 9.626 -7.441 -2.072 1.00 60.12 H new ATOM 0 HG23 THR A 6 9.127 -5.797 -1.607 1.00 60.12 H new ATOM 74 N VAL A 7 7.491 -9.160 -0.860 1.00 72.33 N ATOM 75 CA VAL A 7 7.214 -10.443 -1.499 1.00 33.04 C ATOM 76 C VAL A 7 6.853 -10.227 -2.981 1.00 24.22 C ATOM 77 O VAL A 7 6.850 -9.091 -3.457 1.00 12.43 O ATOM 78 CB VAL A 7 6.109 -11.193 -0.733 1.00 35.01 C ATOM 79 CG1 VAL A 7 6.448 -11.527 0.722 1.00 3.14 C ATOM 80 CG2 VAL A 7 4.763 -10.448 -0.713 1.00 31.31 C ATOM 0 H VAL A 7 6.902 -8.407 -1.215 1.00 72.33 H new ATOM 0 HA VAL A 7 8.108 -11.066 -1.468 1.00 33.04 H new ATOM 0 HB VAL A 7 6.030 -12.118 -1.305 1.00 35.01 H new ATOM 0 HG11 VAL A 7 5.610 -12.054 1.179 1.00 3.14 H new ATOM 0 HG12 VAL A 7 7.335 -12.159 0.753 1.00 3.14 H new ATOM 0 HG13 VAL A 7 6.640 -10.605 1.272 1.00 3.14 H new ATOM 0 HG21 VAL A 7 4.031 -11.034 -0.157 1.00 31.31 H new ATOM 0 HG22 VAL A 7 4.891 -9.478 -0.233 1.00 31.31 H new ATOM 0 HG23 VAL A 7 4.412 -10.304 -1.735 1.00 31.31 H new ATOM 90 N SER A 8 6.499 -11.290 -3.712 1.00 73.12 N ATOM 91 CA SER A 8 6.111 -11.235 -5.127 1.00 15.21 C ATOM 92 C SER A 8 4.634 -11.630 -5.277 1.00 41.13 C ATOM 93 O SER A 8 4.243 -12.384 -6.173 1.00 51.22 O ATOM 94 CB SER A 8 7.104 -12.036 -5.989 1.00 52.04 C ATOM 95 OG SER A 8 7.413 -13.284 -5.389 1.00 52.14 O ATOM 0 H SER A 8 6.474 -12.235 -3.328 1.00 73.12 H new ATOM 0 HA SER A 8 6.176 -10.217 -5.510 1.00 15.21 H new ATOM 0 HB2 SER A 8 6.679 -12.201 -6.979 1.00 52.04 H new ATOM 0 HB3 SER A 8 8.019 -11.459 -6.126 1.00 52.04 H new ATOM 0 HG SER A 8 8.044 -13.773 -5.958 1.00 52.14 H new ATOM 101 N TRP A 9 3.787 -11.146 -4.361 1.00 64.23 N ATOM 102 CA TRP A 9 2.336 -11.220 -4.516 1.00 15.32 C ATOM 103 C TRP A 9 1.900 -10.345 -5.678 1.00 31.00 C ATOM 104 O TRP A 9 2.638 -9.468 -6.128 1.00 25.34 O ATOM 105 CB TRP A 9 1.636 -10.778 -3.221 1.00 14.42 C ATOM 106 CG TRP A 9 1.794 -11.712 -2.069 1.00 25.51 C ATOM 107 CD1 TRP A 9 2.471 -12.882 -2.095 1.00 23.12 C ATOM 108 CD2 TRP A 9 1.277 -11.575 -0.713 1.00 63.12 C ATOM 109 NE1 TRP A 9 2.516 -13.417 -0.830 1.00 4.42 N ATOM 110 CE2 TRP A 9 1.728 -12.697 0.044 1.00 11.55 C ATOM 111 CE3 TRP A 9 0.486 -10.615 -0.043 1.00 71.42 C ATOM 112 CZ2 TRP A 9 1.406 -12.857 1.398 1.00 64.52 C ATOM 113 CZ3 TRP A 9 0.175 -10.758 1.321 1.00 21.23 C ATOM 114 CH2 TRP A 9 0.631 -11.876 2.044 1.00 43.21 C ATOM 0 H TRP A 9 4.089 -10.695 -3.497 1.00 64.23 H new ATOM 0 HA TRP A 9 2.053 -12.252 -4.723 1.00 15.32 H new ATOM 0 HB2 TRP A 9 2.022 -9.800 -2.932 1.00 14.42 H new ATOM 0 HB3 TRP A 9 0.573 -10.653 -3.425 1.00 14.42 H new ATOM 0 HD1 TRP A 9 2.909 -13.328 -2.975 1.00 23.12 H new ATOM 0 HE1 TRP A 9 3.061 -14.239 -0.571 1.00 4.42 H new ATOM 0 HE3 TRP A 9 0.115 -9.759 -0.586 1.00 71.42 H new ATOM 0 HZ2 TRP A 9 1.749 -13.725 1.941 1.00 64.52 H new ATOM 0 HZ3 TRP A 9 -0.418 -10.004 1.817 1.00 21.23 H new ATOM 0 HH2 TRP A 9 0.387 -11.981 3.091 1.00 43.21 H new ATOM 125 N ASN A 10 0.659 -10.545 -6.099 1.00 33.30 N ATOM 126 CA ASN A 10 -0.023 -9.732 -7.099 1.00 21.53 C ATOM 127 C ASN A 10 -1.150 -8.992 -6.394 1.00 32.34 C ATOM 128 O ASN A 10 -1.455 -9.277 -5.234 1.00 31.22 O ATOM 129 CB ASN A 10 -0.527 -10.603 -8.269 1.00 31.31 C ATOM 130 CG ASN A 10 -1.129 -11.905 -7.773 1.00 72.11 C ATOM 131 OD1 ASN A 10 -2.263 -11.961 -7.307 1.00 52.43 O ATOM 132 ND2 ASN A 10 -0.342 -12.962 -7.778 1.00 10.43 N ATOM 0 H ASN A 10 0.078 -11.304 -5.742 1.00 33.30 H new ATOM 0 HA ASN A 10 0.660 -9.008 -7.544 1.00 21.53 H new ATOM 0 HB2 ASN A 10 -1.273 -10.050 -8.841 1.00 31.31 H new ATOM 0 HB3 ASN A 10 0.299 -10.818 -8.947 1.00 31.31 H new ATOM 0 HD21 ASN A 10 -0.672 -13.846 -7.390 1.00 10.43 H new ATOM 0 HD22 ASN A 10 0.598 -12.896 -8.170 1.00 10.43 H new ATOM 139 N LEU A 11 -1.781 -8.054 -7.101 1.00 1.54 N ATOM 140 CA LEU A 11 -2.916 -7.275 -6.614 1.00 20.23 C ATOM 141 C LEU A 11 -3.982 -8.207 -6.054 1.00 71.22 C ATOM 142 O LEU A 11 -4.503 -7.950 -4.972 1.00 52.14 O ATOM 143 CB LEU A 11 -3.394 -6.355 -7.756 1.00 63.14 C ATOM 144 CG LEU A 11 -4.705 -5.555 -7.594 1.00 65.23 C ATOM 145 CD1 LEU A 11 -5.925 -6.347 -8.069 1.00 4.53 C ATOM 146 CD2 LEU A 11 -4.963 -4.970 -6.202 1.00 54.21 C ATOM 0 H LEU A 11 -1.508 -7.810 -8.053 1.00 1.54 H new ATOM 0 HA LEU A 11 -2.642 -6.627 -5.781 1.00 20.23 H new ATOM 0 HB2 LEU A 11 -2.597 -5.638 -7.952 1.00 63.14 H new ATOM 0 HB3 LEU A 11 -3.496 -6.971 -8.650 1.00 63.14 H new ATOM 0 HG LEU A 11 -4.551 -4.694 -8.244 1.00 65.23 H new ATOM 0 HD11 LEU A 11 -6.824 -5.745 -7.936 1.00 4.53 H new ATOM 0 HD12 LEU A 11 -5.808 -6.597 -9.123 1.00 4.53 H new ATOM 0 HD13 LEU A 11 -6.013 -7.264 -7.486 1.00 4.53 H new ATOM 0 HD21 LEU A 11 -5.910 -4.430 -6.204 1.00 54.21 H new ATOM 0 HD22 LEU A 11 -5.007 -5.777 -5.471 1.00 54.21 H new ATOM 0 HD23 LEU A 11 -4.156 -4.286 -5.939 1.00 54.21 H new ATOM 158 N ARG A 12 -4.267 -9.317 -6.740 1.00 45.50 N ATOM 159 CA ARG A 12 -5.277 -10.251 -6.277 1.00 23.23 C ATOM 160 C ARG A 12 -4.888 -10.858 -4.935 1.00 33.32 C ATOM 161 O ARG A 12 -5.726 -10.896 -4.042 1.00 53.03 O ATOM 162 CB ARG A 12 -5.497 -11.343 -7.338 1.00 35.13 C ATOM 163 CG ARG A 12 -6.991 -11.553 -7.627 1.00 72.13 C ATOM 164 CD ARG A 12 -7.189 -12.360 -8.913 1.00 13.11 C ATOM 165 NE ARG A 12 -6.540 -13.681 -8.847 1.00 51.24 N ATOM 166 CZ ARG A 12 -6.012 -14.347 -9.880 1.00 10.21 C ATOM 167 NH1 ARG A 12 -6.118 -13.892 -11.123 1.00 71.21 N ATOM 168 NH2 ARG A 12 -5.375 -15.488 -9.675 1.00 40.41 N ATOM 0 H ARG A 12 -3.811 -9.583 -7.613 1.00 45.50 H new ATOM 0 HA ARG A 12 -6.213 -9.713 -6.129 1.00 23.23 H new ATOM 0 HB2 ARG A 12 -4.982 -11.067 -8.258 1.00 35.13 H new ATOM 0 HB3 ARG A 12 -5.056 -12.279 -6.995 1.00 35.13 H new ATOM 0 HG2 ARG A 12 -7.458 -12.073 -6.791 1.00 72.13 H new ATOM 0 HG3 ARG A 12 -7.487 -10.587 -7.719 1.00 72.13 H new ATOM 0 HD2 ARG A 12 -8.255 -12.490 -9.098 1.00 13.11 H new ATOM 0 HD3 ARG A 12 -6.785 -11.800 -9.757 1.00 13.11 H new ATOM 0 HE ARG A 12 -6.489 -14.128 -7.932 1.00 51.24 H new ATOM 0 HH11 ARG A 12 -6.610 -13.017 -11.306 1.00 71.21 H new ATOM 0 HH12 ARG A 12 -5.707 -14.417 -11.895 1.00 71.21 H new ATOM 0 HH21 ARG A 12 -5.286 -15.860 -8.729 1.00 40.41 H new ATOM 0 HH22 ARG A 12 -4.972 -15.996 -10.463 1.00 40.41 H new ATOM 182 N GLU A 13 -3.649 -11.330 -4.792 1.00 40.50 N ATOM 183 CA GLU A 13 -3.180 -11.927 -3.550 1.00 65.21 C ATOM 184 C GLU A 13 -3.219 -10.930 -2.402 1.00 14.53 C ATOM 185 O GLU A 13 -3.691 -11.268 -1.319 1.00 33.41 O ATOM 186 CB GLU A 13 -1.787 -12.540 -3.711 1.00 21.31 C ATOM 187 CG GLU A 13 -1.945 -13.981 -4.194 1.00 25.31 C ATOM 188 CD GLU A 13 -0.596 -14.667 -4.354 1.00 24.11 C ATOM 189 OE1 GLU A 13 0.045 -14.401 -5.394 1.00 73.14 O ATOM 190 OE2 GLU A 13 -0.227 -15.498 -3.488 1.00 53.35 O ATOM 0 H GLU A 13 -2.948 -11.308 -5.533 1.00 40.50 H new ATOM 0 HA GLU A 13 -3.865 -12.737 -3.302 1.00 65.21 H new ATOM 0 HB2 GLU A 13 -1.199 -11.963 -4.425 1.00 21.31 H new ATOM 0 HB3 GLU A 13 -1.250 -12.515 -2.763 1.00 21.31 H new ATOM 0 HG2 GLU A 13 -2.556 -14.539 -3.484 1.00 25.31 H new ATOM 0 HG3 GLU A 13 -2.474 -13.990 -5.147 1.00 25.31 H new ATOM 197 N MET A 14 -2.749 -9.703 -2.634 1.00 72.22 N ATOM 198 CA MET A 14 -2.720 -8.682 -1.597 1.00 62.41 C ATOM 199 C MET A 14 -4.155 -8.350 -1.154 1.00 24.32 C ATOM 200 O MET A 14 -4.414 -8.228 0.045 1.00 21.25 O ATOM 201 CB MET A 14 -1.980 -7.428 -2.090 1.00 70.14 C ATOM 202 CG MET A 14 -0.553 -7.640 -2.623 1.00 21.11 C ATOM 203 SD MET A 14 0.785 -7.230 -1.463 1.00 55.45 S ATOM 204 CE MET A 14 0.714 -5.418 -1.473 1.00 63.04 C ATOM 0 H MET A 14 -2.383 -9.396 -3.535 1.00 72.22 H new ATOM 0 HA MET A 14 -2.174 -9.064 -0.734 1.00 62.41 H new ATOM 0 HB2 MET A 14 -2.575 -6.969 -2.880 1.00 70.14 H new ATOM 0 HB3 MET A 14 -1.935 -6.713 -1.268 1.00 70.14 H new ATOM 0 HG2 MET A 14 -0.446 -8.683 -2.920 1.00 21.11 H new ATOM 0 HG3 MET A 14 -0.427 -7.038 -3.523 1.00 21.11 H new ATOM 0 HE1 MET A 14 1.467 -5.021 -0.792 1.00 63.04 H new ATOM 0 HE2 MET A 14 0.907 -5.052 -2.481 1.00 63.04 H new ATOM 0 HE3 MET A 14 -0.275 -5.091 -1.152 1.00 63.04 H new ATOM 214 N LEU A 15 -5.091 -8.236 -2.109 1.00 21.22 N ATOM 215 CA LEU A 15 -6.504 -7.985 -1.837 1.00 54.34 C ATOM 216 C LEU A 15 -7.104 -9.138 -1.034 1.00 3.13 C ATOM 217 O LEU A 15 -7.737 -8.900 -0.010 1.00 12.23 O ATOM 218 CB LEU A 15 -7.286 -7.784 -3.153 1.00 54.44 C ATOM 219 CG LEU A 15 -8.641 -7.075 -2.936 1.00 61.34 C ATOM 220 CD1 LEU A 15 -8.429 -5.560 -2.857 1.00 73.54 C ATOM 221 CD2 LEU A 15 -9.610 -7.322 -4.097 1.00 15.11 C ATOM 0 H LEU A 15 -4.879 -8.318 -3.103 1.00 21.22 H new ATOM 0 HA LEU A 15 -6.582 -7.071 -1.248 1.00 54.34 H new ATOM 0 HB2 LEU A 15 -6.681 -7.199 -3.845 1.00 54.44 H new ATOM 0 HB3 LEU A 15 -7.458 -8.753 -3.621 1.00 54.44 H new ATOM 0 HG LEU A 15 -9.059 -7.477 -2.013 1.00 61.34 H new ATOM 0 HD11 LEU A 15 -9.388 -5.066 -2.704 1.00 73.54 H new ATOM 0 HD12 LEU A 15 -7.765 -5.328 -2.024 1.00 73.54 H new ATOM 0 HD13 LEU A 15 -7.983 -5.206 -3.786 1.00 73.54 H new ATOM 0 HD21 LEU A 15 -10.550 -6.805 -3.903 1.00 15.11 H new ATOM 0 HD22 LEU A 15 -9.173 -6.945 -5.022 1.00 15.11 H new ATOM 0 HD23 LEU A 15 -9.797 -8.391 -4.193 1.00 15.11 H new ATOM 233 N ALA A 16 -6.912 -10.374 -1.497 1.00 22.42 N ATOM 234 CA ALA A 16 -7.470 -11.574 -0.896 1.00 71.32 C ATOM 235 C ALA A 16 -6.963 -11.762 0.529 1.00 10.22 C ATOM 236 O ALA A 16 -7.769 -12.048 1.413 1.00 32.00 O ATOM 237 CB ALA A 16 -7.104 -12.790 -1.750 1.00 52.43 C ATOM 0 H ALA A 16 -6.347 -10.567 -2.324 1.00 22.42 H new ATOM 0 HA ALA A 16 -8.554 -11.469 -0.854 1.00 71.32 H new ATOM 0 HB1 ALA A 16 -7.522 -13.690 -1.300 1.00 52.43 H new ATOM 0 HB2 ALA A 16 -7.509 -12.665 -2.754 1.00 52.43 H new ATOM 0 HB3 ALA A 16 -6.019 -12.882 -1.805 1.00 52.43 H new ATOM 243 N HIS A 17 -5.659 -11.577 0.774 1.00 43.51 N ATOM 244 CA HIS A 17 -5.121 -11.663 2.125 1.00 64.22 C ATOM 245 C HIS A 17 -5.855 -10.667 3.022 1.00 14.42 C ATOM 246 O HIS A 17 -6.236 -11.017 4.135 1.00 12.13 O ATOM 247 CB HIS A 17 -3.598 -11.430 2.154 1.00 31.42 C ATOM 248 CG HIS A 17 -2.970 -11.663 3.518 1.00 51.21 C ATOM 249 ND1 HIS A 17 -3.216 -12.727 4.353 1.00 61.55 N ATOM 250 CD2 HIS A 17 -2.032 -10.882 4.144 1.00 14.32 C ATOM 251 CE1 HIS A 17 -2.431 -12.609 5.432 1.00 72.41 C ATOM 252 NE2 HIS A 17 -1.720 -11.470 5.383 1.00 41.34 N ATOM 0 H HIS A 17 -4.966 -11.368 0.055 1.00 43.51 H new ATOM 0 HA HIS A 17 -5.283 -12.673 2.502 1.00 64.22 H new ATOM 0 HB2 HIS A 17 -3.124 -12.091 1.428 1.00 31.42 H new ATOM 0 HB3 HIS A 17 -3.390 -10.408 1.838 1.00 31.42 H new ATOM 0 HD1 HIS A 17 -3.883 -13.479 4.180 1.00 61.55 H new ATOM 0 HD2 HIS A 17 -1.606 -9.970 3.752 1.00 14.32 H new ATOM 0 HE1 HIS A 17 -2.377 -13.332 6.233 1.00 72.41 H new ATOM 260 N ALA A 18 -6.073 -9.426 2.573 1.00 63.51 N ATOM 261 CA ALA A 18 -6.742 -8.400 3.366 1.00 31.25 C ATOM 262 C ALA A 18 -8.263 -8.610 3.464 1.00 63.35 C ATOM 263 O ALA A 18 -8.851 -8.078 4.399 1.00 14.32 O ATOM 264 CB ALA A 18 -6.407 -7.029 2.774 1.00 24.44 C ATOM 0 H ALA A 18 -5.788 -9.108 1.647 1.00 63.51 H new ATOM 0 HA ALA A 18 -6.374 -8.466 4.390 1.00 31.25 H new ATOM 0 HB1 ALA A 18 -6.900 -6.251 3.356 1.00 24.44 H new ATOM 0 HB2 ALA A 18 -5.328 -6.874 2.802 1.00 24.44 H new ATOM 0 HB3 ALA A 18 -6.753 -6.984 1.742 1.00 24.44 H new ATOM 270 N GLU A 19 -8.900 -9.368 2.563 1.00 45.11 N ATOM 271 CA GLU A 19 -10.290 -9.799 2.708 1.00 74.03 C ATOM 272 C GLU A 19 -10.410 -10.867 3.791 1.00 62.43 C ATOM 273 O GLU A 19 -11.362 -10.862 4.575 1.00 32.13 O ATOM 274 CB GLU A 19 -10.857 -10.330 1.368 1.00 74.41 C ATOM 275 CG GLU A 19 -11.566 -9.209 0.605 1.00 24.30 C ATOM 276 CD GLU A 19 -12.607 -9.691 -0.409 1.00 63.24 C ATOM 277 OE1 GLU A 19 -12.257 -9.935 -1.588 1.00 4.14 O ATOM 278 OE2 GLU A 19 -13.817 -9.758 -0.083 1.00 33.15 O ATOM 0 H GLU A 19 -8.458 -9.701 1.706 1.00 45.11 H new ATOM 0 HA GLU A 19 -10.878 -8.930 3.004 1.00 74.03 H new ATOM 0 HB2 GLU A 19 -10.049 -10.737 0.760 1.00 74.41 H new ATOM 0 HB3 GLU A 19 -11.554 -11.146 1.559 1.00 74.41 H new ATOM 0 HG2 GLU A 19 -12.055 -8.550 1.323 1.00 24.30 H new ATOM 0 HG3 GLU A 19 -10.818 -8.612 0.083 1.00 24.30 H new ATOM 285 N GLU A 20 -9.464 -11.803 3.830 1.00 41.23 N ATOM 286 CA GLU A 20 -9.471 -12.879 4.805 1.00 1.31 C ATOM 287 C GLU A 20 -9.119 -12.346 6.197 1.00 52.34 C ATOM 288 O GLU A 20 -9.748 -12.714 7.193 1.00 64.53 O ATOM 289 CB GLU A 20 -8.454 -13.940 4.377 1.00 62.21 C ATOM 290 CG GLU A 20 -8.729 -15.269 5.089 1.00 12.40 C ATOM 291 CD GLU A 20 -9.831 -16.113 4.436 1.00 11.24 C ATOM 292 OE1 GLU A 20 -10.228 -15.863 3.271 1.00 32.40 O ATOM 293 OE2 GLU A 20 -10.255 -17.096 5.076 1.00 0.14 O ATOM 0 H GLU A 20 -8.674 -11.832 3.185 1.00 41.23 H new ATOM 0 HA GLU A 20 -10.468 -13.318 4.852 1.00 1.31 H new ATOM 0 HB2 GLU A 20 -8.502 -14.083 3.297 1.00 62.21 H new ATOM 0 HB3 GLU A 20 -7.445 -13.599 4.609 1.00 62.21 H new ATOM 0 HG2 GLU A 20 -7.808 -15.852 5.116 1.00 12.40 H new ATOM 0 HG3 GLU A 20 -9.007 -15.064 6.123 1.00 12.40 H new ATOM 300 N THR A 21 -8.087 -11.506 6.264 1.00 12.42 N ATOM 301 CA THR A 21 -7.452 -11.050 7.488 1.00 43.30 C ATOM 302 C THR A 21 -7.892 -9.626 7.813 1.00 1.13 C ATOM 303 O THR A 21 -8.914 -9.148 7.322 1.00 44.20 O ATOM 304 CB THR A 21 -5.923 -11.208 7.402 1.00 43.23 C ATOM 305 OG1 THR A 21 -5.337 -10.350 6.445 1.00 14.12 O ATOM 306 CG2 THR A 21 -5.513 -12.633 7.055 1.00 1.13 C ATOM 0 H THR A 21 -7.656 -11.111 5.428 1.00 12.42 H new ATOM 0 HA THR A 21 -7.776 -11.677 8.319 1.00 43.30 H new ATOM 0 HB THR A 21 -5.561 -10.944 8.396 1.00 43.23 H new ATOM 0 HG1 THR A 21 -5.820 -10.429 5.596 1.00 14.12 H new ATOM 0 HG21 THR A 21 -4.426 -12.697 7.005 1.00 1.13 H new ATOM 0 HG22 THR A 21 -5.882 -13.315 7.821 1.00 1.13 H new ATOM 0 HG23 THR A 21 -5.937 -12.909 6.090 1.00 1.13 H new ATOM 314 N ARG A 22 -7.154 -8.980 8.717 1.00 2.22 N ATOM 315 CA ARG A 22 -7.418 -7.665 9.277 1.00 71.42 C ATOM 316 C ARG A 22 -6.124 -6.863 9.173 1.00 73.10 C ATOM 317 O ARG A 22 -5.476 -6.598 10.183 1.00 74.21 O ATOM 318 CB ARG A 22 -7.961 -7.798 10.721 1.00 52.14 C ATOM 319 CG ARG A 22 -9.101 -8.815 10.934 1.00 15.23 C ATOM 320 CD ARG A 22 -10.243 -8.776 9.907 1.00 33.30 C ATOM 321 NE ARG A 22 -11.572 -8.453 10.445 1.00 54.22 N ATOM 322 CZ ARG A 22 -12.685 -8.510 9.696 1.00 22.31 C ATOM 323 NH1 ARG A 22 -12.593 -8.784 8.397 1.00 44.12 N ATOM 324 NH2 ARG A 22 -13.875 -8.309 10.245 1.00 42.54 N ATOM 0 H ARG A 22 -6.303 -9.393 9.098 1.00 2.22 H new ATOM 0 HA ARG A 22 -8.195 -7.133 8.729 1.00 71.42 H new ATOM 0 HB2 ARG A 22 -7.132 -8.072 11.374 1.00 52.14 H new ATOM 0 HB3 ARG A 22 -8.312 -6.818 11.046 1.00 52.14 H new ATOM 0 HG2 ARG A 22 -8.672 -9.817 10.932 1.00 15.23 H new ATOM 0 HG3 ARG A 22 -9.525 -8.652 11.925 1.00 15.23 H new ATOM 0 HD2 ARG A 22 -9.993 -8.042 9.141 1.00 33.30 H new ATOM 0 HD3 ARG A 22 -10.297 -9.746 9.414 1.00 33.30 H new ATOM 0 HE ARG A 22 -11.652 -8.175 11.423 1.00 54.22 H new ATOM 0 HH11 ARG A 22 -11.680 -8.950 7.974 1.00 44.12 H new ATOM 0 HH12 ARG A 22 -13.436 -8.828 7.824 1.00 44.12 H new ATOM 0 HH21 ARG A 22 -13.949 -8.109 11.243 1.00 42.54 H new ATOM 0 HH22 ARG A 22 -14.716 -8.354 9.670 1.00 42.54 H new ATOM 338 N LYS A 23 -5.671 -6.585 7.950 1.00 33.15 N ATOM 339 CA LYS A 23 -4.453 -5.820 7.677 1.00 43.13 C ATOM 340 C LYS A 23 -4.794 -4.672 6.736 1.00 12.23 C ATOM 341 O LYS A 23 -5.180 -4.898 5.589 1.00 4.02 O ATOM 342 CB LYS A 23 -3.369 -6.725 7.089 1.00 71.25 C ATOM 343 CG LYS A 23 -2.601 -7.528 8.154 1.00 33.54 C ATOM 344 CD LYS A 23 -2.731 -9.034 7.918 1.00 22.25 C ATOM 345 CE LYS A 23 -1.744 -9.801 8.798 1.00 32.31 C ATOM 346 NZ LYS A 23 -1.755 -11.248 8.497 1.00 34.25 N ATOM 0 H LYS A 23 -6.150 -6.892 7.104 1.00 33.15 H new ATOM 0 HA LYS A 23 -4.058 -5.409 8.606 1.00 43.13 H new ATOM 0 HB2 LYS A 23 -3.827 -7.417 6.383 1.00 71.25 H new ATOM 0 HB3 LYS A 23 -2.663 -6.115 6.525 1.00 71.25 H new ATOM 0 HG2 LYS A 23 -1.549 -7.245 8.137 1.00 33.54 H new ATOM 0 HG3 LYS A 23 -2.982 -7.279 9.145 1.00 33.54 H new ATOM 0 HD2 LYS A 23 -3.749 -9.356 8.137 1.00 22.25 H new ATOM 0 HD3 LYS A 23 -2.544 -9.261 6.868 1.00 22.25 H new ATOM 0 HE2 LYS A 23 -0.739 -9.406 8.648 1.00 32.31 H new ATOM 0 HE3 LYS A 23 -1.995 -9.645 9.847 1.00 32.31 H new ATOM 0 HZ1 LYS A 23 -1.050 -11.731 9.089 1.00 34.25 H new ATOM 0 HZ2 LYS A 23 -2.699 -11.637 8.696 1.00 34.25 H new ATOM 0 HZ3 LYS A 23 -1.524 -11.396 7.494 1.00 34.25 H new ATOM 360 N LEU A 24 -4.703 -3.442 7.236 1.00 52.55 N ATOM 361 CA LEU A 24 -5.064 -2.214 6.538 1.00 4.11 C ATOM 362 C LEU A 24 -4.338 -2.098 5.202 1.00 45.14 C ATOM 363 O LEU A 24 -3.155 -2.420 5.100 1.00 74.30 O ATOM 364 CB LEU A 24 -4.699 -1.028 7.432 1.00 35.41 C ATOM 365 CG LEU A 24 -5.191 0.322 6.864 1.00 3.53 C ATOM 366 CD1 LEU A 24 -6.065 0.999 7.916 1.00 73.14 C ATOM 367 CD2 LEU A 24 -4.068 1.311 6.551 1.00 72.21 C ATOM 0 H LEU A 24 -4.360 -3.268 8.181 1.00 52.55 H new ATOM 0 HA LEU A 24 -6.134 -2.224 6.330 1.00 4.11 H new ATOM 0 HB2 LEU A 24 -5.129 -1.179 8.422 1.00 35.41 H new ATOM 0 HB3 LEU A 24 -3.617 -0.992 7.557 1.00 35.41 H new ATOM 0 HG LEU A 24 -5.713 0.086 5.937 1.00 3.53 H new ATOM 0 HD11 LEU A 24 -6.422 1.955 7.532 1.00 73.14 H new ATOM 0 HD12 LEU A 24 -6.917 0.360 8.147 1.00 73.14 H new ATOM 0 HD13 LEU A 24 -5.481 1.167 8.821 1.00 73.14 H new ATOM 0 HD21 LEU A 24 -4.495 2.233 6.157 1.00 72.21 H new ATOM 0 HD22 LEU A 24 -3.511 1.529 7.462 1.00 72.21 H new ATOM 0 HD23 LEU A 24 -3.396 0.876 5.811 1.00 72.21 H new ATOM 379 N MET A 25 -5.018 -1.573 4.188 1.00 41.31 N ATOM 380 CA MET A 25 -4.527 -1.570 2.827 1.00 71.25 C ATOM 381 C MET A 25 -4.549 -0.143 2.264 1.00 1.30 C ATOM 382 O MET A 25 -5.557 0.273 1.690 1.00 4.25 O ATOM 383 CB MET A 25 -5.310 -2.636 2.043 1.00 21.43 C ATOM 384 CG MET A 25 -4.790 -2.892 0.629 1.00 13.30 C ATOM 385 SD MET A 25 -5.720 -4.195 -0.224 1.00 40.44 S ATOM 386 CE MET A 25 -4.533 -4.650 -1.507 1.00 21.31 C ATOM 0 H MET A 25 -5.933 -1.135 4.296 1.00 41.31 H new ATOM 0 HA MET A 25 -3.478 -1.855 2.749 1.00 71.25 H new ATOM 0 HB2 MET A 25 -5.284 -3.572 2.601 1.00 21.43 H new ATOM 0 HB3 MET A 25 -6.355 -2.330 1.983 1.00 21.43 H new ATOM 0 HG2 MET A 25 -4.848 -1.970 0.051 1.00 13.30 H new ATOM 0 HG3 MET A 25 -3.738 -3.172 0.677 1.00 13.30 H new ATOM 0 HE1 MET A 25 -4.951 -5.445 -2.124 1.00 21.31 H new ATOM 0 HE2 MET A 25 -4.319 -3.781 -2.130 1.00 21.31 H new ATOM 0 HE3 MET A 25 -3.611 -4.999 -1.042 1.00 21.31 H new ATOM 396 N PRO A 26 -3.501 0.674 2.495 1.00 71.53 N ATOM 397 CA PRO A 26 -3.451 2.027 1.955 1.00 1.21 C ATOM 398 C PRO A 26 -3.235 1.978 0.435 1.00 34.30 C ATOM 399 O PRO A 26 -2.449 1.153 -0.038 1.00 14.22 O ATOM 400 CB PRO A 26 -2.310 2.712 2.709 1.00 3.34 C ATOM 401 CG PRO A 26 -1.347 1.577 3.035 1.00 61.44 C ATOM 402 CD PRO A 26 -2.251 0.351 3.178 1.00 75.13 C ATOM 0 HA PRO A 26 -4.378 2.584 2.092 1.00 1.21 H new ATOM 0 HB2 PRO A 26 -1.832 3.478 2.098 1.00 3.34 H new ATOM 0 HB3 PRO A 26 -2.668 3.203 3.614 1.00 3.34 H new ATOM 0 HG2 PRO A 26 -0.611 1.439 2.243 1.00 61.44 H new ATOM 0 HG3 PRO A 26 -0.794 1.774 3.954 1.00 61.44 H new ATOM 0 HD2 PRO A 26 -1.784 -0.529 2.736 1.00 75.13 H new ATOM 0 HD3 PRO A 26 -2.431 0.122 4.228 1.00 75.13 H new ATOM 410 N ILE A 27 -3.918 2.829 -0.336 1.00 55.34 N ATOM 411 CA ILE A 27 -3.959 2.787 -1.805 1.00 62.04 C ATOM 412 C ILE A 27 -3.942 4.239 -2.312 1.00 42.51 C ATOM 413 O ILE A 27 -4.621 5.092 -1.733 1.00 24.44 O ATOM 414 CB ILE A 27 -5.239 2.036 -2.254 1.00 24.32 C ATOM 415 CG1 ILE A 27 -5.188 0.531 -1.887 1.00 0.04 C ATOM 416 CG2 ILE A 27 -5.503 2.181 -3.767 1.00 63.10 C ATOM 417 CD1 ILE A 27 -6.578 -0.089 -1.764 1.00 5.52 C ATOM 0 H ILE A 27 -4.475 3.589 0.054 1.00 55.34 H new ATOM 0 HA ILE A 27 -3.102 2.255 -2.219 1.00 62.04 H new ATOM 0 HB ILE A 27 -6.060 2.505 -1.711 1.00 24.32 H new ATOM 0 HG12 ILE A 27 -4.620 -0.006 -2.647 1.00 0.04 H new ATOM 0 HG13 ILE A 27 -4.654 0.408 -0.945 1.00 0.04 H new ATOM 0 HG21 ILE A 27 -6.410 1.638 -4.032 1.00 63.10 H new ATOM 0 HG22 ILE A 27 -5.626 3.235 -4.016 1.00 63.10 H new ATOM 0 HG23 ILE A 27 -4.660 1.773 -4.324 1.00 63.10 H new ATOM 0 HD11 ILE A 27 -6.484 -1.144 -1.506 1.00 5.52 H new ATOM 0 HD12 ILE A 27 -7.139 0.427 -0.985 1.00 5.52 H new ATOM 0 HD13 ILE A 27 -7.104 0.007 -2.714 1.00 5.52 H new ATOM 429 N CYS A 28 -3.212 4.524 -3.393 1.00 74.35 N ATOM 430 CA CYS A 28 -3.102 5.829 -4.022 1.00 4.15 C ATOM 431 C CYS A 28 -4.304 6.087 -4.935 1.00 33.30 C ATOM 432 O CYS A 28 -4.654 5.248 -5.767 1.00 13.12 O ATOM 433 CB CYS A 28 -1.816 5.841 -4.859 1.00 63.32 C ATOM 434 SG CYS A 28 -1.639 7.425 -5.702 1.00 42.24 S ATOM 0 H CYS A 28 -2.658 3.813 -3.871 1.00 74.35 H new ATOM 0 HA CYS A 28 -3.078 6.607 -3.259 1.00 4.15 H new ATOM 0 HB2 CYS A 28 -0.953 5.664 -4.217 1.00 63.32 H new ATOM 0 HB3 CYS A 28 -1.841 5.032 -5.590 1.00 63.32 H new ATOM 0 HG CYS A 28 -0.545 7.423 -6.405 1.00 42.24 H new ATOM 440 N MET A 29 -4.868 7.294 -4.859 1.00 31.22 N ATOM 441 CA MET A 29 -6.028 7.718 -5.635 1.00 60.22 C ATOM 442 C MET A 29 -5.640 8.037 -7.080 1.00 3.21 C ATOM 443 O MET A 29 -6.516 8.315 -7.899 1.00 20.14 O ATOM 444 CB MET A 29 -6.703 8.927 -4.958 1.00 15.10 C ATOM 445 CG MET A 29 -8.195 9.015 -5.309 1.00 55.30 C ATOM 446 SD MET A 29 -9.118 10.325 -4.465 1.00 13.30 S ATOM 447 CE MET A 29 -9.060 9.734 -2.754 1.00 70.41 C ATOM 0 H MET A 29 -4.518 8.022 -4.237 1.00 31.22 H new ATOM 0 HA MET A 29 -6.743 6.896 -5.666 1.00 60.22 H new ATOM 0 HB2 MET A 29 -6.588 8.850 -3.877 1.00 15.10 H new ATOM 0 HB3 MET A 29 -6.202 9.844 -5.268 1.00 15.10 H new ATOM 0 HG2 MET A 29 -8.289 9.163 -6.385 1.00 55.30 H new ATOM 0 HG3 MET A 29 -8.662 8.058 -5.077 1.00 55.30 H new ATOM 0 HE1 MET A 29 -9.525 10.470 -2.099 1.00 70.41 H new ATOM 0 HE2 MET A 29 -9.597 8.789 -2.677 1.00 70.41 H new ATOM 0 HE3 MET A 29 -8.022 9.587 -2.455 1.00 70.41 H new ATOM 457 N ASP A 30 -4.345 8.047 -7.402 1.00 12.21 N ATOM 458 CA ASP A 30 -3.863 8.234 -8.770 1.00 41.33 C ATOM 459 C ASP A 30 -3.742 6.906 -9.508 1.00 23.34 C ATOM 460 O ASP A 30 -3.629 6.899 -10.734 1.00 32.43 O ATOM 461 CB ASP A 30 -2.527 8.984 -8.771 1.00 60.24 C ATOM 462 CG ASP A 30 -2.168 9.511 -10.161 1.00 51.22 C ATOM 463 OD1 ASP A 30 -2.908 10.382 -10.670 1.00 55.30 O ATOM 464 OD2 ASP A 30 -1.096 9.147 -10.696 1.00 24.24 O ATOM 0 H ASP A 30 -3.599 7.925 -6.717 1.00 12.21 H new ATOM 0 HA ASP A 30 -4.598 8.837 -9.303 1.00 41.33 H new ATOM 0 HB2 ASP A 30 -2.578 9.817 -8.069 1.00 60.24 H new ATOM 0 HB3 ASP A 30 -1.738 8.319 -8.420 1.00 60.24 H new ATOM 469 N VAL A 31 -3.818 5.775 -8.799 1.00 54.02 N ATOM 470 CA VAL A 31 -3.561 4.480 -9.400 1.00 43.31 C ATOM 471 C VAL A 31 -4.895 3.821 -9.732 1.00 1.12 C ATOM 472 O VAL A 31 -5.424 3.008 -8.965 1.00 52.31 O ATOM 473 CB VAL A 31 -2.608 3.635 -8.527 1.00 74.40 C ATOM 474 CG1 VAL A 31 -2.206 2.344 -9.253 1.00 71.22 C ATOM 475 CG2 VAL A 31 -1.304 4.378 -8.191 1.00 54.42 C ATOM 0 H VAL A 31 -4.056 5.739 -7.808 1.00 54.02 H new ATOM 0 HA VAL A 31 -3.023 4.587 -10.342 1.00 43.31 H new ATOM 0 HB VAL A 31 -3.159 3.424 -7.610 1.00 74.40 H new ATOM 0 HG11 VAL A 31 -1.535 1.764 -8.620 1.00 71.22 H new ATOM 0 HG12 VAL A 31 -3.098 1.756 -9.470 1.00 71.22 H new ATOM 0 HG13 VAL A 31 -1.700 2.594 -10.186 1.00 71.22 H new ATOM 0 HG21 VAL A 31 -0.670 3.740 -7.576 1.00 54.42 H new ATOM 0 HG22 VAL A 31 -0.780 4.629 -9.113 1.00 54.42 H new ATOM 0 HG23 VAL A 31 -1.537 5.293 -7.645 1.00 54.42 H new ATOM 485 N ARG A 32 -5.433 4.147 -10.914 1.00 33.35 N ATOM 486 CA ARG A 32 -6.592 3.453 -11.473 1.00 24.00 C ATOM 487 C ARG A 32 -6.364 1.942 -11.483 1.00 14.42 C ATOM 488 O ARG A 32 -7.311 1.207 -11.222 1.00 45.12 O ATOM 489 CB ARG A 32 -6.899 3.958 -12.900 1.00 11.01 C ATOM 490 CG ARG A 32 -8.160 4.828 -13.009 1.00 50.03 C ATOM 491 CD ARG A 32 -7.960 6.259 -12.502 1.00 3.30 C ATOM 492 NE ARG A 32 -9.190 7.049 -12.680 1.00 24.25 N ATOM 493 CZ ARG A 32 -9.304 8.378 -12.580 1.00 43.32 C ATOM 494 NH1 ARG A 32 -8.257 9.148 -12.325 1.00 12.30 N ATOM 495 NH2 ARG A 32 -10.491 8.957 -12.693 1.00 0.55 N ATOM 0 H ARG A 32 -5.076 4.897 -11.505 1.00 33.35 H new ATOM 0 HA ARG A 32 -7.452 3.669 -10.839 1.00 24.00 H new ATOM 0 HB2 ARG A 32 -6.045 4.531 -13.261 1.00 11.01 H new ATOM 0 HB3 ARG A 32 -7.008 3.098 -13.561 1.00 11.01 H new ATOM 0 HG2 ARG A 32 -8.480 4.861 -14.050 1.00 50.03 H new ATOM 0 HG3 ARG A 32 -8.965 4.360 -12.443 1.00 50.03 H new ATOM 0 HD2 ARG A 32 -7.682 6.242 -11.448 1.00 3.30 H new ATOM 0 HD3 ARG A 32 -7.138 6.730 -13.041 1.00 3.30 H new ATOM 0 HE ARG A 32 -10.040 6.531 -12.902 1.00 24.25 H new ATOM 0 HH11 ARG A 32 -7.335 8.730 -12.200 1.00 12.30 H new ATOM 0 HH12 ARG A 32 -8.373 10.159 -12.254 1.00 12.30 H new ATOM 0 HH21 ARG A 32 -11.322 8.389 -12.857 1.00 0.55 H new ATOM 0 HH22 ARG A 32 -10.573 9.971 -12.616 1.00 0.55 H new ATOM 509 N ALA A 33 -5.134 1.475 -11.715 1.00 24.32 N ATOM 510 CA ALA A 33 -4.817 0.053 -11.799 1.00 65.15 C ATOM 511 C ALA A 33 -5.187 -0.733 -10.539 1.00 25.03 C ATOM 512 O ALA A 33 -5.408 -1.942 -10.617 1.00 35.41 O ATOM 513 CB ALA A 33 -3.325 -0.131 -12.088 1.00 42.52 C ATOM 0 H ALA A 33 -4.325 2.082 -11.851 1.00 24.32 H new ATOM 0 HA ALA A 33 -5.423 -0.347 -12.612 1.00 65.15 H new ATOM 0 HB1 ALA A 33 -3.095 -1.195 -12.149 1.00 42.52 H new ATOM 0 HB2 ALA A 33 -3.076 0.350 -13.034 1.00 42.52 H new ATOM 0 HB3 ALA A 33 -2.741 0.321 -11.286 1.00 42.52 H new ATOM 519 N ILE A 34 -5.244 -0.076 -9.381 1.00 25.04 N ATOM 520 CA ILE A 34 -5.671 -0.678 -8.127 1.00 14.23 C ATOM 521 C ILE A 34 -7.115 -0.242 -7.904 1.00 43.03 C ATOM 522 O ILE A 34 -7.995 -1.095 -7.796 1.00 41.21 O ATOM 523 CB ILE A 34 -4.698 -0.279 -6.992 1.00 21.33 C ATOM 524 CG1 ILE A 34 -3.227 -0.648 -7.298 1.00 1.23 C ATOM 525 CG2 ILE A 34 -5.115 -0.890 -5.646 1.00 61.12 C ATOM 526 CD1 ILE A 34 -2.920 -2.137 -7.488 1.00 43.44 C ATOM 0 H ILE A 34 -4.989 0.908 -9.291 1.00 25.04 H new ATOM 0 HA ILE A 34 -5.643 -1.767 -8.147 1.00 14.23 H new ATOM 0 HB ILE A 34 -4.759 0.807 -6.925 1.00 21.33 H new ATOM 0 HG12 ILE A 34 -2.924 -0.119 -8.202 1.00 1.23 H new ATOM 0 HG13 ILE A 34 -2.605 -0.273 -6.485 1.00 1.23 H new ATOM 0 HG21 ILE A 34 -4.407 -0.587 -4.874 1.00 61.12 H new ATOM 0 HG22 ILE A 34 -6.113 -0.540 -5.381 1.00 61.12 H new ATOM 0 HG23 ILE A 34 -5.121 -1.977 -5.726 1.00 61.12 H new ATOM 0 HD11 ILE A 34 -1.858 -2.266 -7.697 1.00 43.44 H new ATOM 0 HD12 ILE A 34 -3.180 -2.681 -6.580 1.00 43.44 H new ATOM 0 HD13 ILE A 34 -3.503 -2.525 -8.323 1.00 43.44 H new ATOM 538 N MET A 35 -7.367 1.071 -7.903 1.00 51.35 N ATOM 539 CA MET A 35 -8.651 1.701 -7.610 1.00 12.30 C ATOM 540 C MET A 35 -9.826 1.072 -8.378 1.00 63.44 C ATOM 541 O MET A 35 -10.903 0.867 -7.809 1.00 52.40 O ATOM 542 CB MET A 35 -8.498 3.203 -7.895 1.00 23.11 C ATOM 543 CG MET A 35 -9.747 4.000 -7.525 1.00 70.41 C ATOM 544 SD MET A 35 -9.477 5.565 -6.644 1.00 33.11 S ATOM 545 CE MET A 35 -8.656 4.955 -5.142 1.00 25.13 C ATOM 0 H MET A 35 -6.641 1.755 -8.118 1.00 51.35 H new ATOM 0 HA MET A 35 -8.906 1.539 -6.563 1.00 12.30 H new ATOM 0 HB2 MET A 35 -7.646 3.590 -7.337 1.00 23.11 H new ATOM 0 HB3 MET A 35 -8.279 3.348 -8.953 1.00 23.11 H new ATOM 0 HG2 MET A 35 -10.299 4.214 -8.440 1.00 70.41 H new ATOM 0 HG3 MET A 35 -10.386 3.367 -6.909 1.00 70.41 H new ATOM 0 HE1 MET A 35 -8.753 5.695 -4.348 1.00 25.13 H new ATOM 0 HE2 MET A 35 -9.122 4.021 -4.826 1.00 25.13 H new ATOM 0 HE3 MET A 35 -7.600 4.782 -5.349 1.00 25.13 H new ATOM 555 N ALA A 36 -9.616 0.707 -9.646 1.00 22.50 N ATOM 556 CA ALA A 36 -10.596 0.031 -10.482 1.00 34.54 C ATOM 557 C ALA A 36 -11.115 -1.247 -9.823 1.00 31.24 C ATOM 558 O ALA A 36 -12.324 -1.477 -9.805 1.00 64.21 O ATOM 559 CB ALA A 36 -9.966 -0.304 -11.838 1.00 41.32 C ATOM 0 H ALA A 36 -8.733 0.881 -10.127 1.00 22.50 H new ATOM 0 HA ALA A 36 -11.444 0.702 -10.619 1.00 34.54 H new ATOM 0 HB1 ALA A 36 -10.700 -0.811 -12.465 1.00 41.32 H new ATOM 0 HB2 ALA A 36 -9.644 0.616 -12.327 1.00 41.32 H new ATOM 0 HB3 ALA A 36 -9.105 -0.956 -11.688 1.00 41.32 H new ATOM 565 N THR A 37 -10.229 -2.085 -9.278 1.00 54.44 N ATOM 566 CA THR A 37 -10.621 -3.362 -8.697 1.00 44.43 C ATOM 567 C THR A 37 -11.529 -3.130 -7.504 1.00 4.51 C ATOM 568 O THR A 37 -12.500 -3.873 -7.345 1.00 12.31 O ATOM 569 CB THR A 37 -9.383 -4.195 -8.331 1.00 3.44 C ATOM 570 OG1 THR A 37 -8.699 -4.512 -9.532 1.00 41.52 O ATOM 571 CG2 THR A 37 -9.747 -5.486 -7.577 1.00 54.03 C ATOM 0 H THR A 37 -9.228 -1.895 -9.229 1.00 54.44 H new ATOM 0 HA THR A 37 -11.182 -3.936 -9.434 1.00 44.43 H new ATOM 0 HB THR A 37 -8.753 -3.610 -7.661 1.00 3.44 H new ATOM 0 HG1 THR A 37 -8.371 -5.434 -9.488 1.00 41.52 H new ATOM 0 HG21 THR A 37 -8.837 -6.039 -7.341 1.00 54.03 H new ATOM 0 HG22 THR A 37 -10.268 -5.233 -6.653 1.00 54.03 H new ATOM 0 HG23 THR A 37 -10.394 -6.102 -8.201 1.00 54.03 H new ATOM 579 N ILE A 38 -11.258 -2.098 -6.698 1.00 43.11 N ATOM 580 CA ILE A 38 -12.130 -1.801 -5.582 1.00 55.31 C ATOM 581 C ILE A 38 -13.517 -1.484 -6.121 1.00 11.41 C ATOM 582 O ILE A 38 -14.455 -2.177 -5.757 1.00 21.42 O ATOM 583 CB ILE A 38 -11.557 -0.703 -4.672 1.00 24.12 C ATOM 584 CG1 ILE A 38 -10.278 -1.235 -3.989 1.00 65.04 C ATOM 585 CG2 ILE A 38 -12.591 -0.263 -3.619 1.00 22.12 C ATOM 586 CD1 ILE A 38 -9.034 -0.633 -4.632 1.00 10.21 C ATOM 0 H ILE A 38 -10.458 -1.473 -6.802 1.00 43.11 H new ATOM 0 HA ILE A 38 -12.208 -2.674 -4.933 1.00 55.31 H new ATOM 0 HB ILE A 38 -11.313 0.171 -5.276 1.00 24.12 H new ATOM 0 HG12 ILE A 38 -10.299 -0.991 -2.927 1.00 65.04 H new ATOM 0 HG13 ILE A 38 -10.244 -2.322 -4.066 1.00 65.04 H new ATOM 0 HG21 ILE A 38 -12.160 0.515 -2.988 1.00 22.12 H new ATOM 0 HG22 ILE A 38 -13.477 0.126 -4.120 1.00 22.12 H new ATOM 0 HG23 ILE A 38 -12.869 -1.118 -3.002 1.00 22.12 H new ATOM 0 HD11 ILE A 38 -8.144 -1.021 -4.136 1.00 10.21 H new ATOM 0 HD12 ILE A 38 -9.006 -0.899 -5.689 1.00 10.21 H new ATOM 0 HD13 ILE A 38 -9.061 0.452 -4.532 1.00 10.21 H new ATOM 598 N GLN A 39 -13.667 -0.496 -7.001 1.00 44.22 N ATOM 599 CA GLN A 39 -14.993 -0.064 -7.448 1.00 74.14 C ATOM 600 C GLN A 39 -15.730 -1.153 -8.251 1.00 14.14 C ATOM 601 O GLN A 39 -16.964 -1.195 -8.290 1.00 4.11 O ATOM 602 CB GLN A 39 -14.848 1.249 -8.227 1.00 45.23 C ATOM 603 CG GLN A 39 -14.387 2.374 -7.280 1.00 44.13 C ATOM 604 CD GLN A 39 -14.160 3.697 -8.001 1.00 31.02 C ATOM 605 OE1 GLN A 39 -14.979 4.144 -8.798 1.00 53.42 O ATOM 606 NE2 GLN A 39 -13.062 4.375 -7.731 1.00 30.10 N ATOM 0 H GLN A 39 -12.892 0.019 -7.418 1.00 44.22 H new ATOM 0 HA GLN A 39 -15.622 0.112 -6.575 1.00 74.14 H new ATOM 0 HB2 GLN A 39 -14.127 1.124 -9.035 1.00 45.23 H new ATOM 0 HB3 GLN A 39 -15.800 1.516 -8.687 1.00 45.23 H new ATOM 0 HG2 GLN A 39 -15.135 2.515 -6.499 1.00 44.13 H new ATOM 0 HG3 GLN A 39 -13.464 2.071 -6.786 1.00 44.13 H new ATOM 0 HE21 GLN A 39 -12.382 4.002 -7.068 1.00 30.10 H new ATOM 0 HE22 GLN A 39 -12.892 5.273 -8.185 1.00 30.10 H new ATOM 615 N ARG A 40 -14.992 -2.084 -8.855 1.00 61.04 N ATOM 616 CA ARG A 40 -15.541 -3.281 -9.487 1.00 50.01 C ATOM 617 C ARG A 40 -16.105 -4.247 -8.445 1.00 50.42 C ATOM 618 O ARG A 40 -17.168 -4.823 -8.670 1.00 13.23 O ATOM 619 CB ARG A 40 -14.437 -3.960 -10.317 1.00 11.45 C ATOM 620 CG ARG A 40 -14.140 -3.208 -11.624 1.00 22.44 C ATOM 621 CD ARG A 40 -15.019 -3.756 -12.748 1.00 31.12 C ATOM 622 NE ARG A 40 -15.064 -2.850 -13.910 1.00 12.12 N ATOM 623 CZ ARG A 40 -15.832 -1.758 -14.051 1.00 43.21 C ATOM 624 NH1 ARG A 40 -16.736 -1.429 -13.136 1.00 51.21 N ATOM 625 NH2 ARG A 40 -15.711 -1.014 -15.137 1.00 61.20 N ATOM 0 H ARG A 40 -13.976 -2.025 -8.919 1.00 61.04 H new ATOM 0 HA ARG A 40 -16.364 -2.993 -10.141 1.00 50.01 H new ATOM 0 HB2 ARG A 40 -13.526 -4.023 -9.722 1.00 11.45 H new ATOM 0 HB3 ARG A 40 -14.737 -4.982 -10.549 1.00 11.45 H new ATOM 0 HG2 ARG A 40 -14.326 -2.142 -11.491 1.00 22.44 H new ATOM 0 HG3 ARG A 40 -13.088 -3.318 -11.886 1.00 22.44 H new ATOM 0 HD2 ARG A 40 -14.640 -4.729 -13.062 1.00 31.12 H new ATOM 0 HD3 ARG A 40 -16.030 -3.914 -12.373 1.00 31.12 H new ATOM 0 HE ARG A 40 -14.446 -3.077 -14.689 1.00 12.12 H new ATOM 0 HH11 ARG A 40 -16.857 -2.010 -12.307 1.00 51.21 H new ATOM 0 HH12 ARG A 40 -17.309 -0.595 -13.262 1.00 51.21 H new ATOM 0 HH21 ARG A 40 -15.038 -1.271 -15.859 1.00 61.20 H new ATOM 0 HH22 ARG A 40 -16.290 -0.183 -15.253 1.00 61.20 H new ATOM 639 N LYS A 41 -15.384 -4.474 -7.349 1.00 2.25 N ATOM 640 CA LYS A 41 -15.705 -5.460 -6.324 1.00 35.54 C ATOM 641 C LYS A 41 -16.711 -4.856 -5.338 1.00 74.43 C ATOM 642 O LYS A 41 -17.841 -5.333 -5.217 1.00 44.12 O ATOM 643 CB LYS A 41 -14.369 -5.882 -5.678 1.00 32.23 C ATOM 644 CG LYS A 41 -14.365 -7.123 -4.775 1.00 14.31 C ATOM 645 CD LYS A 41 -15.284 -7.050 -3.548 1.00 12.01 C ATOM 646 CE LYS A 41 -14.722 -7.912 -2.415 1.00 12.30 C ATOM 647 NZ LYS A 41 -14.949 -9.361 -2.562 1.00 53.03 N ATOM 0 H LYS A 41 -14.529 -3.956 -7.145 1.00 2.25 H new ATOM 0 HA LYS A 41 -16.186 -6.352 -6.726 1.00 35.54 H new ATOM 0 HB2 LYS A 41 -13.649 -6.050 -6.479 1.00 32.23 H new ATOM 0 HB3 LYS A 41 -14.002 -5.041 -5.091 1.00 32.23 H new ATOM 0 HG2 LYS A 41 -14.654 -7.987 -5.373 1.00 14.31 H new ATOM 0 HG3 LYS A 41 -13.345 -7.299 -4.433 1.00 14.31 H new ATOM 0 HD2 LYS A 41 -15.378 -6.016 -3.216 1.00 12.01 H new ATOM 0 HD3 LYS A 41 -16.285 -7.392 -3.813 1.00 12.01 H new ATOM 0 HE2 LYS A 41 -13.649 -7.733 -2.341 1.00 12.30 H new ATOM 0 HE3 LYS A 41 -15.165 -7.584 -1.475 1.00 12.30 H new ATOM 0 HZ1 LYS A 41 -14.820 -9.828 -1.642 1.00 53.03 H new ATOM 0 HZ2 LYS A 41 -15.918 -9.528 -2.902 1.00 53.03 H new ATOM 0 HZ3 LYS A 41 -14.270 -9.751 -3.246 1.00 53.03 H new ATOM 661 N TYR A 42 -16.287 -3.835 -4.601 1.00 22.13 N ATOM 662 CA TYR A 42 -16.978 -3.174 -3.512 1.00 51.53 C ATOM 663 C TYR A 42 -17.824 -2.038 -4.092 1.00 35.33 C ATOM 664 O TYR A 42 -17.312 -1.155 -4.785 1.00 63.44 O ATOM 665 CB TYR A 42 -15.956 -2.605 -2.513 1.00 30.23 C ATOM 666 CG TYR A 42 -14.943 -3.596 -1.979 1.00 63.00 C ATOM 667 CD1 TYR A 42 -13.735 -3.766 -2.675 1.00 12.34 C ATOM 668 CD2 TYR A 42 -15.200 -4.360 -0.825 1.00 60.14 C ATOM 669 CE1 TYR A 42 -12.787 -4.709 -2.260 1.00 31.34 C ATOM 670 CE2 TYR A 42 -14.257 -5.312 -0.397 1.00 65.23 C ATOM 671 CZ TYR A 42 -13.054 -5.491 -1.118 1.00 1.22 C ATOM 672 OH TYR A 42 -12.205 -6.483 -0.763 1.00 32.43 O ATOM 0 H TYR A 42 -15.372 -3.417 -4.769 1.00 22.13 H new ATOM 0 HA TYR A 42 -17.617 -3.886 -2.990 1.00 51.53 H new ATOM 0 HB2 TYR A 42 -15.419 -1.788 -2.995 1.00 30.23 H new ATOM 0 HB3 TYR A 42 -16.498 -2.177 -1.670 1.00 30.23 H new ATOM 0 HD1 TYR A 42 -13.534 -3.159 -3.545 1.00 12.34 H new ATOM 0 HD2 TYR A 42 -16.116 -4.216 -0.271 1.00 60.14 H new ATOM 0 HE1 TYR A 42 -11.864 -4.835 -2.807 1.00 31.34 H new ATOM 0 HE2 TYR A 42 -14.452 -5.907 0.483 1.00 65.23 H new ATOM 0 HH TYR A 42 -11.296 -6.252 -1.046 1.00 32.43 H new ATOM 682 N LYS A 43 -19.124 -2.039 -3.795 1.00 2.32 N ATOM 683 CA LYS A 43 -20.049 -0.998 -4.251 1.00 63.21 C ATOM 684 C LYS A 43 -20.500 -0.092 -3.113 1.00 72.31 C ATOM 685 O LYS A 43 -20.642 1.112 -3.328 1.00 21.54 O ATOM 686 CB LYS A 43 -21.242 -1.630 -4.976 1.00 74.24 C ATOM 687 CG LYS A 43 -20.784 -2.435 -6.207 1.00 13.33 C ATOM 688 CD LYS A 43 -21.976 -2.899 -7.044 1.00 31.12 C ATOM 689 CE LYS A 43 -22.531 -1.747 -7.887 1.00 75.20 C ATOM 690 NZ LYS A 43 -23.987 -1.857 -8.093 1.00 40.10 N ATOM 0 H LYS A 43 -19.567 -2.763 -3.230 1.00 2.32 H new ATOM 0 HA LYS A 43 -19.515 -0.362 -4.956 1.00 63.21 H new ATOM 0 HB2 LYS A 43 -21.782 -2.284 -4.291 1.00 74.24 H new ATOM 0 HB3 LYS A 43 -21.937 -0.850 -5.287 1.00 74.24 H new ATOM 0 HG2 LYS A 43 -20.124 -1.821 -6.820 1.00 13.33 H new ATOM 0 HG3 LYS A 43 -20.206 -3.300 -5.883 1.00 13.33 H new ATOM 0 HD2 LYS A 43 -21.672 -3.718 -7.695 1.00 31.12 H new ATOM 0 HD3 LYS A 43 -22.757 -3.286 -6.389 1.00 31.12 H new ATOM 0 HE2 LYS A 43 -22.306 -0.800 -7.397 1.00 75.20 H new ATOM 0 HE3 LYS A 43 -22.029 -1.733 -8.855 1.00 75.20 H new ATOM 0 HZ1 LYS A 43 -24.318 -1.056 -8.668 1.00 40.10 H new ATOM 0 HZ2 LYS A 43 -24.202 -2.748 -8.584 1.00 40.10 H new ATOM 0 HZ3 LYS A 43 -24.470 -1.844 -7.172 1.00 40.10 H new ATOM 704 N GLY A 44 -20.668 -0.618 -1.898 1.00 51.42 N ATOM 705 CA GLY A 44 -21.140 0.132 -0.735 1.00 12.34 C ATOM 706 C GLY A 44 -20.073 1.018 -0.083 1.00 3.53 C ATOM 707 O GLY A 44 -20.090 1.175 1.133 1.00 20.12 O ATOM 0 H GLY A 44 -20.475 -1.598 -1.692 1.00 51.42 H new ATOM 0 HA2 GLY A 44 -21.980 0.757 -1.037 1.00 12.34 H new ATOM 0 HA3 GLY A 44 -21.516 -0.571 0.008 1.00 12.34 H new ATOM 711 N ILE A 45 -19.142 1.568 -0.867 1.00 51.12 N ATOM 712 CA ILE A 45 -18.005 2.382 -0.442 1.00 2.10 C ATOM 713 C ILE A 45 -18.074 3.744 -1.151 1.00 51.42 C ATOM 714 O ILE A 45 -18.677 3.849 -2.226 1.00 53.01 O ATOM 715 CB ILE A 45 -16.688 1.592 -0.680 1.00 33.30 C ATOM 716 CG1 ILE A 45 -15.387 2.422 -0.576 1.00 53.24 C ATOM 717 CG2 ILE A 45 -16.687 0.745 -1.966 1.00 52.14 C ATOM 718 CD1 ILE A 45 -14.857 3.065 -1.866 1.00 64.20 C ATOM 0 H ILE A 45 -19.166 1.448 -1.880 1.00 51.12 H new ATOM 0 HA ILE A 45 -18.034 2.594 0.627 1.00 2.10 H new ATOM 0 HB ILE A 45 -16.680 0.908 0.169 1.00 33.30 H new ATOM 0 HG12 ILE A 45 -15.550 3.215 0.154 1.00 53.24 H new ATOM 0 HG13 ILE A 45 -14.606 1.776 -0.175 1.00 53.24 H new ATOM 0 HG21 ILE A 45 -15.733 0.225 -2.059 1.00 52.14 H new ATOM 0 HG22 ILE A 45 -17.495 0.015 -1.921 1.00 52.14 H new ATOM 0 HG23 ILE A 45 -16.832 1.394 -2.829 1.00 52.14 H new ATOM 0 HD11 ILE A 45 -13.942 3.616 -1.649 1.00 64.20 H new ATOM 0 HD12 ILE A 45 -14.647 2.287 -2.600 1.00 64.20 H new ATOM 0 HD13 ILE A 45 -15.606 3.749 -2.266 1.00 64.20 H new ATOM 730 N LYS A 46 -17.426 4.770 -0.589 1.00 4.22 N ATOM 731 CA LYS A 46 -17.285 6.119 -1.132 1.00 71.20 C ATOM 732 C LYS A 46 -15.787 6.415 -1.264 1.00 63.10 C ATOM 733 O LYS A 46 -15.018 6.053 -0.376 1.00 42.11 O ATOM 734 CB LYS A 46 -18.020 7.071 -0.167 1.00 72.40 C ATOM 735 CG LYS A 46 -18.004 8.558 -0.561 1.00 20.34 C ATOM 736 CD LYS A 46 -16.815 9.287 0.077 1.00 3.13 C ATOM 737 CE LYS A 46 -16.735 10.764 -0.327 1.00 13.43 C ATOM 738 NZ LYS A 46 -17.512 11.630 0.581 1.00 63.31 N ATOM 0 H LYS A 46 -16.959 4.671 0.312 1.00 4.22 H new ATOM 0 HA LYS A 46 -17.724 6.242 -2.122 1.00 71.20 H new ATOM 0 HB2 LYS A 46 -19.057 6.746 -0.085 1.00 72.40 H new ATOM 0 HB3 LYS A 46 -17.575 6.971 0.823 1.00 72.40 H new ATOM 0 HG2 LYS A 46 -17.950 8.649 -1.646 1.00 20.34 H new ATOM 0 HG3 LYS A 46 -18.935 9.030 -0.247 1.00 20.34 H new ATOM 0 HD2 LYS A 46 -16.891 9.216 1.162 1.00 3.13 H new ATOM 0 HD3 LYS A 46 -15.891 8.786 -0.211 1.00 3.13 H new ATOM 0 HE2 LYS A 46 -15.693 11.083 -0.328 1.00 13.43 H new ATOM 0 HE3 LYS A 46 -17.106 10.882 -1.345 1.00 13.43 H new ATOM 0 HZ1 LYS A 46 -17.430 12.619 0.271 1.00 63.31 H new ATOM 0 HZ2 LYS A 46 -18.511 11.343 0.564 1.00 63.31 H new ATOM 0 HZ3 LYS A 46 -17.142 11.539 1.549 1.00 63.31 H new ATOM 752 N ILE A 47 -15.358 7.065 -2.351 1.00 34.05 N ATOM 753 CA ILE A 47 -13.957 7.442 -2.559 1.00 51.12 C ATOM 754 C ILE A 47 -13.704 8.752 -1.813 1.00 35.30 C ATOM 755 O ILE A 47 -14.396 9.738 -2.081 1.00 43.34 O ATOM 756 CB ILE A 47 -13.628 7.582 -4.066 1.00 71.54 C ATOM 757 CG1 ILE A 47 -14.081 6.369 -4.909 1.00 74.42 C ATOM 758 CG2 ILE A 47 -12.121 7.834 -4.261 1.00 44.14 C ATOM 759 CD1 ILE A 47 -13.385 5.059 -4.530 1.00 73.22 C ATOM 0 H ILE A 47 -15.975 7.345 -3.113 1.00 34.05 H new ATOM 0 HA ILE A 47 -13.303 6.661 -2.171 1.00 51.12 H new ATOM 0 HB ILE A 47 -14.197 8.438 -4.428 1.00 71.54 H new ATOM 0 HG12 ILE A 47 -15.158 6.243 -4.798 1.00 74.42 H new ATOM 0 HG13 ILE A 47 -13.892 6.579 -5.962 1.00 74.42 H new ATOM 0 HG21 ILE A 47 -11.903 7.931 -5.325 1.00 44.14 H new ATOM 0 HG22 ILE A 47 -11.836 8.752 -3.747 1.00 44.14 H new ATOM 0 HG23 ILE A 47 -11.556 6.998 -3.849 1.00 44.14 H new ATOM 0 HD11 ILE A 47 -13.755 4.254 -5.165 1.00 73.22 H new ATOM 0 HD12 ILE A 47 -12.309 5.165 -4.669 1.00 73.22 H new ATOM 0 HD13 ILE A 47 -13.595 4.824 -3.487 1.00 73.22 H new ATOM 771 N GLN A 48 -12.747 8.753 -0.888 1.00 12.43 N ATOM 772 CA GLN A 48 -12.318 9.903 -0.099 1.00 5.11 C ATOM 773 C GLN A 48 -10.820 9.789 0.189 1.00 10.44 C ATOM 774 O GLN A 48 -10.229 8.769 -0.130 1.00 4.41 O ATOM 775 CB GLN A 48 -13.135 9.989 1.197 1.00 35.30 C ATOM 776 CG GLN A 48 -13.030 8.719 2.056 1.00 3.15 C ATOM 777 CD GLN A 48 -13.925 8.831 3.277 1.00 73.43 C ATOM 778 OE1 GLN A 48 -15.138 8.979 3.154 1.00 55.53 O ATOM 779 NE2 GLN A 48 -13.366 8.739 4.463 1.00 43.52 N ATOM 0 H GLN A 48 -12.224 7.908 -0.658 1.00 12.43 H new ATOM 0 HA GLN A 48 -12.492 10.822 -0.659 1.00 5.11 H new ATOM 0 HB2 GLN A 48 -12.794 10.845 1.780 1.00 35.30 H new ATOM 0 HB3 GLN A 48 -14.181 10.169 0.950 1.00 35.30 H new ATOM 0 HG2 GLN A 48 -13.316 7.848 1.466 1.00 3.15 H new ATOM 0 HG3 GLN A 48 -11.997 8.567 2.367 1.00 3.15 H new ATOM 0 HE21 GLN A 48 -12.357 8.616 4.543 1.00 43.52 H new ATOM 0 HE22 GLN A 48 -13.942 8.790 5.303 1.00 43.52 H new ATOM 788 N GLU A 49 -10.212 10.797 0.814 1.00 11.44 N ATOM 789 CA GLU A 49 -8.760 10.922 1.028 1.00 35.50 C ATOM 790 C GLU A 49 -8.360 10.448 2.437 1.00 74.11 C ATOM 791 O GLU A 49 -7.416 10.958 3.054 1.00 23.05 O ATOM 792 CB GLU A 49 -8.314 12.382 0.847 1.00 33.15 C ATOM 793 CG GLU A 49 -8.796 13.058 -0.442 1.00 64.13 C ATOM 794 CD GLU A 49 -8.487 14.565 -0.443 1.00 75.42 C ATOM 795 OE1 GLU A 49 -8.759 15.223 0.591 1.00 42.21 O ATOM 796 OE2 GLU A 49 -8.023 15.143 -1.452 1.00 63.34 O ATOM 0 H GLU A 49 -10.733 11.583 1.203 1.00 11.44 H new ATOM 0 HA GLU A 49 -8.266 10.291 0.289 1.00 35.50 H new ATOM 0 HB2 GLU A 49 -8.671 12.962 1.698 1.00 33.15 H new ATOM 0 HB3 GLU A 49 -7.225 12.418 0.872 1.00 33.15 H new ATOM 0 HG2 GLU A 49 -8.317 12.588 -1.301 1.00 64.13 H new ATOM 0 HG3 GLU A 49 -9.870 12.906 -0.553 1.00 64.13 H new ATOM 803 N GLY A 50 -9.151 9.527 2.977 1.00 14.21 N ATOM 804 CA GLY A 50 -9.090 9.101 4.363 1.00 44.11 C ATOM 805 C GLY A 50 -9.193 7.591 4.524 1.00 70.03 C ATOM 806 O GLY A 50 -9.143 6.812 3.569 1.00 74.10 O ATOM 0 H GLY A 50 -9.873 9.044 2.442 1.00 14.21 H new ATOM 0 HA2 GLY A 50 -8.154 9.445 4.803 1.00 44.11 H new ATOM 0 HA3 GLY A 50 -9.897 9.577 4.920 1.00 44.11 H new ATOM 810 N ILE A 51 -9.347 7.186 5.783 1.00 71.02 N ATOM 811 CA ILE A 51 -9.747 5.836 6.167 1.00 72.15 C ATOM 812 C ILE A 51 -11.099 5.538 5.514 1.00 34.10 C ATOM 813 O ILE A 51 -11.910 6.452 5.351 1.00 44.31 O ATOM 814 CB ILE A 51 -9.813 5.782 7.714 1.00 11.53 C ATOM 815 CG1 ILE A 51 -8.415 5.836 8.375 1.00 35.20 C ATOM 816 CG2 ILE A 51 -10.589 4.585 8.273 1.00 53.41 C ATOM 817 CD1 ILE A 51 -7.557 4.574 8.195 1.00 42.11 C ATOM 0 H ILE A 51 -9.193 7.802 6.581 1.00 71.02 H new ATOM 0 HA ILE A 51 -9.038 5.079 5.831 1.00 72.15 H new ATOM 0 HB ILE A 51 -10.369 6.682 7.975 1.00 11.53 H new ATOM 0 HG12 ILE A 51 -7.870 6.687 7.967 1.00 35.20 H new ATOM 0 HG13 ILE A 51 -8.542 6.021 9.442 1.00 35.20 H new ATOM 0 HG21 ILE A 51 -10.585 4.626 9.362 1.00 53.41 H new ATOM 0 HG22 ILE A 51 -11.617 4.617 7.912 1.00 53.41 H new ATOM 0 HG23 ILE A 51 -10.117 3.659 7.943 1.00 53.41 H new ATOM 0 HD11 ILE A 51 -6.598 4.712 8.694 1.00 42.11 H new ATOM 0 HD12 ILE A 51 -8.073 3.718 8.630 1.00 42.11 H new ATOM 0 HD13 ILE A 51 -7.391 4.395 7.133 1.00 42.11 H new ATOM 829 N VAL A 52 -11.350 4.268 5.197 1.00 64.35 N ATOM 830 CA VAL A 52 -12.662 3.756 4.838 1.00 53.20 C ATOM 831 C VAL A 52 -12.864 2.448 5.606 1.00 31.41 C ATOM 832 O VAL A 52 -11.920 1.673 5.830 1.00 73.03 O ATOM 833 CB VAL A 52 -12.771 3.592 3.307 1.00 32.32 C ATOM 834 CG1 VAL A 52 -14.132 3.025 2.883 1.00 41.15 C ATOM 835 CG2 VAL A 52 -12.579 4.931 2.575 1.00 60.22 C ATOM 0 H VAL A 52 -10.624 3.552 5.184 1.00 64.35 H new ATOM 0 HA VAL A 52 -13.458 4.448 5.114 1.00 53.20 H new ATOM 0 HB VAL A 52 -11.978 2.896 3.032 1.00 32.32 H new ATOM 0 HG11 VAL A 52 -14.163 2.927 1.798 1.00 41.15 H new ATOM 0 HG12 VAL A 52 -14.277 2.046 3.340 1.00 41.15 H new ATOM 0 HG13 VAL A 52 -14.924 3.699 3.209 1.00 41.15 H new ATOM 0 HG21 VAL A 52 -12.663 4.773 1.500 1.00 60.22 H new ATOM 0 HG22 VAL A 52 -13.345 5.636 2.899 1.00 60.22 H new ATOM 0 HG23 VAL A 52 -11.593 5.334 2.807 1.00 60.22 H new ATOM 845 N ASP A 53 -14.100 2.188 6.032 1.00 11.12 N ATOM 846 CA ASP A 53 -14.474 1.000 6.785 1.00 12.04 C ATOM 847 C ASP A 53 -15.699 0.347 6.135 1.00 71.14 C ATOM 848 O ASP A 53 -16.843 0.517 6.570 1.00 22.05 O ATOM 849 CB ASP A 53 -14.637 1.317 8.277 1.00 13.01 C ATOM 850 CG ASP A 53 -14.349 0.056 9.084 1.00 32.32 C ATOM 851 OD1 ASP A 53 -13.151 -0.212 9.339 1.00 2.24 O ATOM 852 OD2 ASP A 53 -15.311 -0.677 9.403 1.00 1.54 O ATOM 0 H ASP A 53 -14.885 2.815 5.857 1.00 11.12 H new ATOM 0 HA ASP A 53 -13.673 0.262 6.746 1.00 12.04 H new ATOM 0 HB2 ASP A 53 -13.955 2.116 8.569 1.00 13.01 H new ATOM 0 HB3 ASP A 53 -15.648 1.671 8.479 1.00 13.01 H new ATOM 857 N TYR A 54 -15.450 -0.347 5.026 1.00 2.14 N ATOM 858 CA TYR A 54 -16.360 -1.195 4.267 1.00 33.43 C ATOM 859 C TYR A 54 -15.563 -2.320 3.584 1.00 43.32 C ATOM 860 O TYR A 54 -14.907 -2.098 2.567 1.00 54.25 O ATOM 861 CB TYR A 54 -17.135 -0.365 3.231 1.00 22.42 C ATOM 862 CG TYR A 54 -18.116 -1.192 2.421 1.00 71.44 C ATOM 863 CD1 TYR A 54 -19.359 -1.568 2.971 1.00 5.12 C ATOM 864 CD2 TYR A 54 -17.781 -1.593 1.115 1.00 41.13 C ATOM 865 CE1 TYR A 54 -20.272 -2.326 2.214 1.00 11.54 C ATOM 866 CE2 TYR A 54 -18.690 -2.337 0.350 1.00 11.34 C ATOM 867 CZ TYR A 54 -19.936 -2.709 0.895 1.00 54.20 C ATOM 868 OH TYR A 54 -20.786 -3.440 0.124 1.00 64.33 O ATOM 0 H TYR A 54 -14.523 -0.327 4.600 1.00 2.14 H new ATOM 0 HA TYR A 54 -17.087 -1.640 4.947 1.00 33.43 H new ATOM 0 HB2 TYR A 54 -17.676 0.431 3.743 1.00 22.42 H new ATOM 0 HB3 TYR A 54 -16.427 0.114 2.555 1.00 22.42 H new ATOM 0 HD1 TYR A 54 -19.612 -1.273 3.979 1.00 5.12 H new ATOM 0 HD2 TYR A 54 -16.820 -1.327 0.700 1.00 41.13 H new ATOM 0 HE1 TYR A 54 -21.223 -2.613 2.638 1.00 11.54 H new ATOM 0 HE2 TYR A 54 -18.435 -2.626 -0.659 1.00 11.34 H new ATOM 0 HH TYR A 54 -20.376 -3.602 -0.751 1.00 64.33 H new ATOM 878 N GLY A 55 -15.619 -3.548 4.097 1.00 45.14 N ATOM 879 CA GLY A 55 -15.086 -4.715 3.395 1.00 22.55 C ATOM 880 C GLY A 55 -13.628 -4.992 3.742 1.00 43.21 C ATOM 881 O GLY A 55 -13.351 -5.963 4.443 1.00 55.10 O ATOM 0 H GLY A 55 -16.032 -3.762 5.005 1.00 45.14 H new ATOM 0 HA2 GLY A 55 -15.687 -5.590 3.643 1.00 22.55 H new ATOM 0 HA3 GLY A 55 -15.177 -4.560 2.320 1.00 22.55 H new ATOM 885 N VAL A 56 -12.706 -4.152 3.280 1.00 63.30 N ATOM 886 CA VAL A 56 -11.265 -4.272 3.507 1.00 51.03 C ATOM 887 C VAL A 56 -10.784 -2.888 3.893 1.00 25.31 C ATOM 888 O VAL A 56 -10.876 -1.979 3.070 1.00 32.33 O ATOM 889 CB VAL A 56 -10.567 -4.796 2.235 1.00 71.35 C ATOM 890 CG1 VAL A 56 -9.039 -4.705 2.280 1.00 33.40 C ATOM 891 CG2 VAL A 56 -10.896 -6.270 2.048 1.00 44.03 C ATOM 0 H VAL A 56 -12.949 -3.338 2.716 1.00 63.30 H new ATOM 0 HA VAL A 56 -11.031 -4.986 4.297 1.00 51.03 H new ATOM 0 HB VAL A 56 -10.932 -4.165 1.425 1.00 71.35 H new ATOM 0 HG11 VAL A 56 -8.624 -5.093 1.350 1.00 33.40 H new ATOM 0 HG12 VAL A 56 -8.740 -3.664 2.405 1.00 33.40 H new ATOM 0 HG13 VAL A 56 -8.664 -5.293 3.118 1.00 33.40 H new ATOM 0 HG21 VAL A 56 -10.403 -6.642 1.149 1.00 44.03 H new ATOM 0 HG22 VAL A 56 -10.546 -6.833 2.913 1.00 44.03 H new ATOM 0 HG23 VAL A 56 -11.974 -6.392 1.947 1.00 44.03 H new ATOM 901 N ARG A 57 -10.346 -2.703 5.147 1.00 53.34 N ATOM 902 CA ARG A 57 -9.957 -1.403 5.704 1.00 70.52 C ATOM 903 C ARG A 57 -8.956 -0.749 4.769 1.00 52.12 C ATOM 904 O ARG A 57 -7.807 -1.201 4.693 1.00 54.34 O ATOM 905 CB ARG A 57 -9.395 -1.584 7.125 1.00 25.31 C ATOM 906 CG ARG A 57 -10.510 -1.926 8.120 1.00 24.04 C ATOM 907 CD ARG A 57 -10.010 -2.557 9.424 1.00 62.22 C ATOM 908 NE ARG A 57 -9.186 -1.684 10.273 1.00 72.53 N ATOM 909 CZ ARG A 57 -9.603 -0.665 11.030 1.00 63.44 C ATOM 910 NH1 ARG A 57 -10.863 -0.230 10.998 1.00 44.42 N ATOM 911 NH2 ARG A 57 -8.728 -0.102 11.852 1.00 12.44 N ATOM 0 H ARG A 57 -10.251 -3.469 5.814 1.00 53.34 H new ATOM 0 HA ARG A 57 -10.825 -0.748 5.787 1.00 70.52 H new ATOM 0 HB2 ARG A 57 -8.647 -2.377 7.125 1.00 25.31 H new ATOM 0 HB3 ARG A 57 -8.891 -0.670 7.439 1.00 25.31 H new ATOM 0 HG2 ARG A 57 -11.063 -1.017 8.357 1.00 24.04 H new ATOM 0 HG3 ARG A 57 -11.211 -2.610 7.643 1.00 24.04 H new ATOM 0 HD2 ARG A 57 -10.873 -2.887 10.002 1.00 62.22 H new ATOM 0 HD3 ARG A 57 -9.431 -3.447 9.178 1.00 62.22 H new ATOM 0 HE ARG A 57 -8.185 -1.878 10.285 1.00 72.53 H new ATOM 0 HH11 ARG A 57 -11.542 -0.678 10.382 1.00 44.42 H new ATOM 0 HH12 ARG A 57 -11.148 0.551 11.589 1.00 44.42 H new ATOM 0 HH21 ARG A 57 -7.770 -0.449 11.892 1.00 12.44 H new ATOM 0 HH22 ARG A 57 -9.013 0.678 12.444 1.00 12.44 H new ATOM 925 N PHE A 58 -9.407 0.263 4.032 1.00 74.02 N ATOM 926 CA PHE A 58 -8.569 0.992 3.099 1.00 54.43 C ATOM 927 C PHE A 58 -8.168 2.304 3.759 1.00 55.22 C ATOM 928 O PHE A 58 -8.831 2.791 4.679 1.00 1.02 O ATOM 929 CB PHE A 58 -9.287 1.219 1.750 1.00 41.23 C ATOM 930 CG PHE A 58 -9.610 -0.031 0.936 1.00 14.34 C ATOM 931 CD1 PHE A 58 -8.641 -1.030 0.738 1.00 32.25 C ATOM 932 CD2 PHE A 58 -10.878 -0.196 0.346 1.00 42.00 C ATOM 933 CE1 PHE A 58 -8.942 -2.191 0.005 1.00 2.23 C ATOM 934 CE2 PHE A 58 -11.189 -1.366 -0.370 1.00 2.31 C ATOM 935 CZ PHE A 58 -10.223 -2.369 -0.538 1.00 5.24 C ATOM 0 H PHE A 58 -10.370 0.598 4.069 1.00 74.02 H new ATOM 0 HA PHE A 58 -7.676 0.412 2.866 1.00 54.43 H new ATOM 0 HB2 PHE A 58 -10.218 1.751 1.944 1.00 41.23 H new ATOM 0 HB3 PHE A 58 -8.667 1.874 1.139 1.00 41.23 H new ATOM 0 HD1 PHE A 58 -7.653 -0.904 1.154 1.00 32.25 H new ATOM 0 HD2 PHE A 58 -11.619 0.584 0.444 1.00 42.00 H new ATOM 0 HE1 PHE A 58 -8.185 -2.948 -0.140 1.00 2.23 H new ATOM 0 HE2 PHE A 58 -12.175 -1.493 -0.792 1.00 2.31 H new ATOM 0 HZ PHE A 58 -10.464 -3.271 -1.081 1.00 5.24 H new ATOM 945 N PHE A 59 -7.092 2.896 3.254 1.00 33.10 N ATOM 946 CA PHE A 59 -6.702 4.262 3.546 1.00 40.24 C ATOM 947 C PHE A 59 -6.372 4.864 2.194 1.00 53.13 C ATOM 948 O PHE A 59 -5.277 4.667 1.660 1.00 22.43 O ATOM 949 CB PHE A 59 -5.550 4.299 4.552 1.00 64.25 C ATOM 950 CG PHE A 59 -5.076 5.692 4.907 1.00 4.51 C ATOM 951 CD1 PHE A 59 -5.929 6.537 5.635 1.00 21.32 C ATOM 952 CD2 PHE A 59 -3.796 6.147 4.534 1.00 42.41 C ATOM 953 CE1 PHE A 59 -5.516 7.826 5.998 1.00 11.35 C ATOM 954 CE2 PHE A 59 -3.376 7.438 4.903 1.00 43.44 C ATOM 955 CZ PHE A 59 -4.241 8.277 5.629 1.00 65.33 C ATOM 0 H PHE A 59 -6.453 2.424 2.614 1.00 33.10 H new ATOM 0 HA PHE A 59 -7.485 4.843 4.032 1.00 40.24 H new ATOM 0 HB2 PHE A 59 -5.864 3.791 5.464 1.00 64.25 H new ATOM 0 HB3 PHE A 59 -4.710 3.735 4.146 1.00 64.25 H new ATOM 0 HD1 PHE A 59 -6.912 6.190 5.918 1.00 21.32 H new ATOM 0 HD2 PHE A 59 -3.138 5.506 3.966 1.00 42.41 H new ATOM 0 HE1 PHE A 59 -6.177 8.469 6.560 1.00 11.35 H new ATOM 0 HE2 PHE A 59 -2.390 7.785 4.629 1.00 43.44 H new ATOM 0 HZ PHE A 59 -3.922 9.272 5.903 1.00 65.33 H new ATOM 965 N PHE A 60 -7.386 5.457 1.579 1.00 13.15 N ATOM 966 CA PHE A 60 -7.268 6.046 0.267 1.00 21.00 C ATOM 967 C PHE A 60 -6.592 7.391 0.447 1.00 2.24 C ATOM 968 O PHE A 60 -7.148 8.269 1.091 1.00 53.41 O ATOM 969 CB PHE A 60 -8.657 6.175 -0.369 1.00 61.51 C ATOM 970 CG PHE A 60 -9.240 4.858 -0.849 1.00 21.23 C ATOM 971 CD1 PHE A 60 -8.489 4.010 -1.685 1.00 71.13 C ATOM 972 CD2 PHE A 60 -10.525 4.463 -0.438 1.00 5.33 C ATOM 973 CE1 PHE A 60 -8.988 2.751 -2.053 1.00 64.01 C ATOM 974 CE2 PHE A 60 -11.026 3.201 -0.799 1.00 70.33 C ATOM 975 CZ PHE A 60 -10.244 2.337 -1.586 1.00 62.21 C ATOM 0 H PHE A 60 -8.318 5.540 1.986 1.00 13.15 H new ATOM 0 HA PHE A 60 -6.673 5.428 -0.406 1.00 21.00 H new ATOM 0 HB2 PHE A 60 -9.338 6.619 0.357 1.00 61.51 H new ATOM 0 HB3 PHE A 60 -8.597 6.863 -1.212 1.00 61.51 H new ATOM 0 HD1 PHE A 60 -7.523 4.330 -2.045 1.00 71.13 H new ATOM 0 HD2 PHE A 60 -11.129 5.132 0.157 1.00 5.33 H new ATOM 0 HE1 PHE A 60 -8.407 2.104 -2.693 1.00 64.01 H new ATOM 0 HE2 PHE A 60 -12.009 2.895 -0.473 1.00 70.33 H new ATOM 0 HZ PHE A 60 -10.612 1.352 -1.832 1.00 62.21 H new ATOM 985 N TYR A 61 -5.384 7.551 -0.080 1.00 11.44 N ATOM 986 CA TYR A 61 -4.661 8.814 -0.045 1.00 61.35 C ATOM 987 C TYR A 61 -4.542 9.357 -1.457 1.00 54.44 C ATOM 988 O TYR A 61 -4.536 8.601 -2.431 1.00 41.31 O ATOM 989 CB TYR A 61 -3.302 8.599 0.636 1.00 50.35 C ATOM 990 CG TYR A 61 -2.395 7.588 -0.045 1.00 24.52 C ATOM 991 CD1 TYR A 61 -1.568 7.989 -1.112 1.00 34.22 C ATOM 992 CD2 TYR A 61 -2.384 6.243 0.377 1.00 0.42 C ATOM 993 CE1 TYR A 61 -0.749 7.056 -1.767 1.00 1.50 C ATOM 994 CE2 TYR A 61 -1.575 5.302 -0.284 1.00 63.44 C ATOM 995 CZ TYR A 61 -0.773 5.702 -1.374 1.00 25.33 C ATOM 996 OH TYR A 61 -0.063 4.784 -2.082 1.00 3.31 O ATOM 0 H TYR A 61 -4.875 6.801 -0.547 1.00 11.44 H new ATOM 0 HA TYR A 61 -5.197 9.560 0.542 1.00 61.35 H new ATOM 0 HB2 TYR A 61 -2.782 9.556 0.685 1.00 50.35 H new ATOM 0 HB3 TYR A 61 -3.474 8.276 1.663 1.00 50.35 H new ATOM 0 HD1 TYR A 61 -1.564 9.022 -1.429 1.00 34.22 H new ATOM 0 HD2 TYR A 61 -2.998 5.935 1.210 1.00 0.42 H new ATOM 0 HE1 TYR A 61 -0.102 7.375 -2.571 1.00 1.50 H new ATOM 0 HE2 TYR A 61 -1.567 4.273 0.043 1.00 63.44 H new ATOM 0 HH TYR A 61 -0.184 3.898 -1.682 1.00 3.31 H new ATOM 1006 N THR A 62 -4.497 10.678 -1.561 1.00 33.43 N ATOM 1007 CA THR A 62 -4.426 11.411 -2.815 1.00 24.52 C ATOM 1008 C THR A 62 -2.968 11.589 -3.238 1.00 23.23 C ATOM 1009 O THR A 62 -2.063 11.374 -2.436 1.00 4.14 O ATOM 1010 CB THR A 62 -5.179 12.752 -2.675 1.00 3.52 C ATOM 1011 OG1 THR A 62 -5.616 13.049 -1.356 1.00 34.42 O ATOM 1012 CG2 THR A 62 -6.460 12.655 -3.494 1.00 63.42 C ATOM 0 H THR A 62 -4.509 11.289 -0.745 1.00 33.43 H new ATOM 0 HA THR A 62 -4.916 10.847 -3.609 1.00 24.52 H new ATOM 0 HB THR A 62 -4.476 13.521 -2.994 1.00 3.52 H new ATOM 0 HG1 THR A 62 -6.081 13.912 -1.352 1.00 34.42 H new ATOM 0 HG21 THR A 62 -7.015 13.590 -3.414 1.00 63.42 H new ATOM 0 HG22 THR A 62 -6.211 12.469 -4.539 1.00 63.42 H new ATOM 0 HG23 THR A 62 -7.073 11.837 -3.116 1.00 63.42 H new ATOM 1020 N SER A 63 -2.719 11.984 -4.482 1.00 43.54 N ATOM 1021 CA SER A 63 -1.366 12.167 -4.994 1.00 13.45 C ATOM 1022 C SER A 63 -0.708 13.447 -4.468 1.00 40.00 C ATOM 1023 O SER A 63 0.519 13.516 -4.421 1.00 53.24 O ATOM 1024 CB SER A 63 -1.378 12.086 -6.530 1.00 64.20 C ATOM 1025 OG SER A 63 -2.595 12.563 -7.097 1.00 72.32 O ATOM 0 H SER A 63 -3.450 12.186 -5.164 1.00 43.54 H new ATOM 0 HA SER A 63 -0.741 11.356 -4.619 1.00 13.45 H new ATOM 0 HB2 SER A 63 -0.545 12.667 -6.927 1.00 64.20 H new ATOM 0 HB3 SER A 63 -1.220 11.052 -6.836 1.00 64.20 H new ATOM 0 HG SER A 63 -2.551 12.492 -8.073 1.00 72.32 H new ATOM 1031 N LYS A 64 -1.489 14.454 -4.064 1.00 42.44 N ATOM 1032 CA LYS A 64 -0.992 15.740 -3.608 1.00 61.41 C ATOM 1033 C LYS A 64 -0.153 15.599 -2.346 1.00 71.42 C ATOM 1034 O LYS A 64 0.944 16.163 -2.305 1.00 24.42 O ATOM 1035 CB LYS A 64 -2.196 16.652 -3.405 1.00 14.35 C ATOM 1036 CG LYS A 64 -1.827 18.066 -2.920 1.00 52.31 C ATOM 1037 CD LYS A 64 -2.760 18.469 -1.785 1.00 75.34 C ATOM 1038 CE LYS A 64 -4.186 18.749 -2.285 1.00 11.33 C ATOM 1039 NZ LYS A 64 -5.164 18.780 -1.184 1.00 23.14 N ATOM 0 H LYS A 64 -2.507 14.388 -4.048 1.00 42.44 H new ATOM 0 HA LYS A 64 -0.325 16.176 -4.352 1.00 61.41 H new ATOM 0 HB2 LYS A 64 -2.743 16.731 -4.344 1.00 14.35 H new ATOM 0 HB3 LYS A 64 -2.870 16.194 -2.681 1.00 14.35 H new ATOM 0 HG2 LYS A 64 -0.792 18.088 -2.580 1.00 52.31 H new ATOM 0 HG3 LYS A 64 -1.907 18.777 -3.742 1.00 52.31 H new ATOM 0 HD2 LYS A 64 -2.787 17.675 -1.038 1.00 75.34 H new ATOM 0 HD3 LYS A 64 -2.368 19.358 -1.291 1.00 75.34 H new ATOM 0 HE2 LYS A 64 -4.204 19.703 -2.812 1.00 11.33 H new ATOM 0 HE3 LYS A 64 -4.475 17.982 -3.004 1.00 11.33 H new ATOM 0 HZ1 LYS A 64 -6.112 18.972 -1.567 1.00 23.14 H new ATOM 0 HZ2 LYS A 64 -5.167 17.861 -0.696 1.00 23.14 H new ATOM 0 HZ3 LYS A 64 -4.905 19.529 -0.510 1.00 23.14 H new ATOM 1053 N GLU A 65 -0.670 14.930 -1.309 1.00 14.42 N ATOM 1054 CA GLU A 65 0.058 14.931 -0.035 1.00 40.53 C ATOM 1055 C GLU A 65 1.377 14.170 -0.261 1.00 34.41 C ATOM 1056 O GLU A 65 1.344 13.150 -0.962 1.00 14.33 O ATOM 1057 CB GLU A 65 -0.760 14.247 1.080 1.00 72.34 C ATOM 1058 CG GLU A 65 -0.819 15.000 2.408 1.00 13.40 C ATOM 1059 CD GLU A 65 -2.104 15.800 2.592 1.00 54.54 C ATOM 1060 OE1 GLU A 65 -2.518 16.519 1.658 1.00 21.33 O ATOM 1061 OE2 GLU A 65 -2.689 15.739 3.701 1.00 24.21 O ATOM 0 H GLU A 65 -1.545 14.406 -1.320 1.00 14.42 H new ATOM 0 HA GLU A 65 0.243 15.957 0.284 1.00 40.53 H new ATOM 0 HB2 GLU A 65 -1.778 14.099 0.721 1.00 72.34 H new ATOM 0 HB3 GLU A 65 -0.339 13.258 1.261 1.00 72.34 H new ATOM 0 HG2 GLU A 65 -0.723 14.287 3.227 1.00 13.40 H new ATOM 0 HG3 GLU A 65 0.034 15.676 2.473 1.00 13.40 H new ATOM 1068 N PRO A 66 2.502 14.575 0.358 1.00 21.14 N ATOM 1069 CA PRO A 66 3.792 13.963 0.083 1.00 41.34 C ATOM 1070 C PRO A 66 3.820 12.526 0.580 1.00 24.03 C ATOM 1071 O PRO A 66 3.180 12.189 1.581 1.00 5.35 O ATOM 1072 CB PRO A 66 4.849 14.827 0.772 1.00 23.44 C ATOM 1073 CG PRO A 66 4.100 15.769 1.702 1.00 5.21 C ATOM 1074 CD PRO A 66 2.638 15.699 1.271 1.00 63.41 C ATOM 0 HA PRO A 66 3.989 13.918 -0.988 1.00 41.34 H new ATOM 0 HB2 PRO A 66 5.551 14.208 1.330 1.00 23.44 H new ATOM 0 HB3 PRO A 66 5.430 15.387 0.039 1.00 23.44 H new ATOM 0 HG2 PRO A 66 4.216 15.466 2.743 1.00 5.21 H new ATOM 0 HG3 PRO A 66 4.484 16.786 1.621 1.00 5.21 H new ATOM 0 HD2 PRO A 66 1.989 15.569 2.137 1.00 63.41 H new ATOM 0 HD3 PRO A 66 2.338 16.627 0.784 1.00 63.41 H new ATOM 1082 N VAL A 67 4.656 11.711 -0.063 1.00 55.05 N ATOM 1083 CA VAL A 67 4.939 10.336 0.325 1.00 13.53 C ATOM 1084 C VAL A 67 5.206 10.291 1.835 1.00 42.42 C ATOM 1085 O VAL A 67 4.520 9.571 2.561 1.00 62.45 O ATOM 1086 CB VAL A 67 6.099 9.785 -0.536 1.00 20.45 C ATOM 1087 CG1 VAL A 67 6.493 8.363 -0.136 1.00 31.42 C ATOM 1088 CG2 VAL A 67 5.724 9.735 -2.024 1.00 54.11 C ATOM 0 H VAL A 67 5.170 12.002 -0.895 1.00 55.05 H new ATOM 0 HA VAL A 67 4.086 9.684 0.137 1.00 13.53 H new ATOM 0 HB VAL A 67 6.930 10.469 -0.366 1.00 20.45 H new ATOM 0 HG11 VAL A 67 7.311 8.020 -0.769 1.00 31.42 H new ATOM 0 HG12 VAL A 67 6.812 8.353 0.906 1.00 31.42 H new ATOM 0 HG13 VAL A 67 5.637 7.700 -0.259 1.00 31.42 H new ATOM 0 HG21 VAL A 67 6.564 9.343 -2.598 1.00 54.11 H new ATOM 0 HG22 VAL A 67 4.858 9.087 -2.159 1.00 54.11 H new ATOM 0 HG23 VAL A 67 5.484 10.739 -2.373 1.00 54.11 H new ATOM 1098 N ALA A 68 6.141 11.108 2.333 1.00 21.35 N ATOM 1099 CA ALA A 68 6.520 11.092 3.740 1.00 3.22 C ATOM 1100 C ALA A 68 5.431 11.620 4.692 1.00 35.11 C ATOM 1101 O ALA A 68 5.545 11.404 5.906 1.00 63.15 O ATOM 1102 CB ALA A 68 7.817 11.879 3.921 1.00 1.31 C ATOM 0 H ALA A 68 6.650 11.792 1.773 1.00 21.35 H new ATOM 0 HA ALA A 68 6.662 10.047 4.015 1.00 3.22 H new ATOM 0 HB1 ALA A 68 8.104 11.870 4.972 1.00 1.31 H new ATOM 0 HB2 ALA A 68 8.606 11.421 3.325 1.00 1.31 H new ATOM 0 HB3 ALA A 68 7.667 12.908 3.595 1.00 1.31 H new ATOM 1108 N SER A 69 4.385 12.296 4.199 1.00 74.21 N ATOM 1109 CA SER A 69 3.204 12.573 5.012 1.00 32.21 C ATOM 1110 C SER A 69 2.495 11.251 5.297 1.00 32.34 C ATOM 1111 O SER A 69 2.346 10.889 6.465 1.00 72.23 O ATOM 1112 CB SER A 69 2.277 13.592 4.337 1.00 74.43 C ATOM 1113 OG SER A 69 1.172 13.868 5.169 1.00 71.41 O ATOM 0 H SER A 69 4.337 12.657 3.246 1.00 74.21 H new ATOM 0 HA SER A 69 3.506 13.028 5.955 1.00 32.21 H new ATOM 0 HB2 SER A 69 2.824 14.511 4.129 1.00 74.43 H new ATOM 0 HB3 SER A 69 1.932 13.203 3.379 1.00 74.43 H new ATOM 0 HG SER A 69 0.768 14.721 4.904 1.00 71.41 H new ATOM 1119 N ILE A 70 2.116 10.498 4.255 1.00 13.43 N ATOM 1120 CA ILE A 70 1.313 9.277 4.369 1.00 54.34 C ATOM 1121 C ILE A 70 1.942 8.317 5.379 1.00 65.22 C ATOM 1122 O ILE A 70 1.236 7.774 6.228 1.00 52.33 O ATOM 1123 CB ILE A 70 1.187 8.591 2.989 1.00 61.34 C ATOM 1124 CG1 ILE A 70 0.385 9.451 1.992 1.00 23.53 C ATOM 1125 CG2 ILE A 70 0.565 7.181 3.086 1.00 73.00 C ATOM 1126 CD1 ILE A 70 0.985 9.344 0.589 1.00 62.25 C ATOM 0 H ILE A 70 2.365 10.726 3.293 1.00 13.43 H new ATOM 0 HA ILE A 70 0.317 9.548 4.720 1.00 54.34 H new ATOM 0 HB ILE A 70 2.205 8.484 2.616 1.00 61.34 H new ATOM 0 HG12 ILE A 70 -0.655 9.124 1.975 1.00 23.53 H new ATOM 0 HG13 ILE A 70 0.387 10.492 2.316 1.00 23.53 H new ATOM 0 HG21 ILE A 70 0.499 6.743 2.090 1.00 73.00 H new ATOM 0 HG22 ILE A 70 1.190 6.551 3.719 1.00 73.00 H new ATOM 0 HG23 ILE A 70 -0.433 7.253 3.518 1.00 73.00 H new ATOM 0 HD11 ILE A 70 0.406 9.957 -0.102 1.00 62.25 H new ATOM 0 HD12 ILE A 70 2.017 9.693 0.607 1.00 62.25 H new ATOM 0 HD13 ILE A 70 0.959 8.305 0.261 1.00 62.25 H new ATOM 1138 N ILE A 71 3.265 8.132 5.301 1.00 32.43 N ATOM 1139 CA ILE A 71 4.033 7.300 6.220 1.00 63.40 C ATOM 1140 C ILE A 71 3.666 7.657 7.670 1.00 72.13 C ATOM 1141 O ILE A 71 3.360 6.792 8.488 1.00 73.05 O ATOM 1142 CB ILE A 71 5.546 7.520 5.957 1.00 63.23 C ATOM 1143 CG1 ILE A 71 6.032 7.201 4.523 1.00 62.35 C ATOM 1144 CG2 ILE A 71 6.390 6.723 6.950 1.00 12.52 C ATOM 1145 CD1 ILE A 71 5.875 5.759 4.031 1.00 40.22 C ATOM 0 H ILE A 71 3.839 8.568 4.580 1.00 32.43 H new ATOM 0 HA ILE A 71 3.799 6.247 6.060 1.00 63.40 H new ATOM 0 HB ILE A 71 5.680 8.594 6.089 1.00 63.23 H new ATOM 0 HG12 ILE A 71 5.496 7.853 3.833 1.00 62.35 H new ATOM 0 HG13 ILE A 71 7.087 7.466 4.458 1.00 62.35 H new ATOM 0 HG21 ILE A 71 7.447 6.892 6.747 1.00 12.52 H new ATOM 0 HG22 ILE A 71 6.159 7.046 7.965 1.00 12.52 H new ATOM 0 HG23 ILE A 71 6.166 5.661 6.848 1.00 12.52 H new ATOM 0 HD11 ILE A 71 6.256 5.679 3.013 1.00 40.22 H new ATOM 0 HD12 ILE A 71 6.437 5.089 4.682 1.00 40.22 H new ATOM 0 HD13 ILE A 71 4.821 5.482 4.047 1.00 40.22 H new ATOM 1157 N THR A 72 3.697 8.947 7.987 1.00 20.14 N ATOM 1158 CA THR A 72 3.446 9.463 9.320 1.00 65.43 C ATOM 1159 C THR A 72 1.976 9.272 9.708 1.00 41.03 C ATOM 1160 O THR A 72 1.691 8.944 10.861 1.00 73.23 O ATOM 1161 CB THR A 72 3.879 10.938 9.369 1.00 71.53 C ATOM 1162 OG1 THR A 72 5.132 11.100 8.705 1.00 12.14 O ATOM 1163 CG2 THR A 72 4.040 11.404 10.817 1.00 61.35 C ATOM 0 H THR A 72 3.903 9.677 7.305 1.00 20.14 H new ATOM 0 HA THR A 72 4.031 8.908 10.054 1.00 65.43 H new ATOM 0 HB THR A 72 3.109 11.531 8.876 1.00 71.53 H new ATOM 0 HG1 THR A 72 4.978 11.260 7.750 1.00 12.14 H new ATOM 0 HG21 THR A 72 4.347 12.450 10.831 1.00 61.35 H new ATOM 0 HG22 THR A 72 3.090 11.297 11.341 1.00 61.35 H new ATOM 0 HG23 THR A 72 4.798 10.797 11.312 1.00 61.35 H new ATOM 1171 N LYS A 73 1.028 9.419 8.774 1.00 14.02 N ATOM 1172 CA LYS A 73 -0.373 9.153 9.041 1.00 23.15 C ATOM 1173 C LYS A 73 -0.544 7.702 9.493 1.00 52.24 C ATOM 1174 O LYS A 73 -1.162 7.455 10.530 1.00 71.31 O ATOM 1175 CB LYS A 73 -1.214 9.474 7.800 1.00 31.43 C ATOM 1176 CG LYS A 73 -1.092 10.937 7.354 1.00 1.41 C ATOM 1177 CD LYS A 73 -2.101 11.283 6.254 1.00 11.54 C ATOM 1178 CE LYS A 73 -1.810 12.685 5.714 1.00 1.15 C ATOM 1179 NZ LYS A 73 -2.840 13.138 4.752 1.00 51.12 N ATOM 0 H LYS A 73 1.219 9.725 7.820 1.00 14.02 H new ATOM 0 HA LYS A 73 -0.726 9.796 9.848 1.00 23.15 H new ATOM 0 HB2 LYS A 73 -0.906 8.824 6.981 1.00 31.43 H new ATOM 0 HB3 LYS A 73 -2.260 9.250 8.009 1.00 31.43 H new ATOM 0 HG2 LYS A 73 -1.249 11.592 8.211 1.00 1.41 H new ATOM 0 HG3 LYS A 73 -0.081 11.123 6.992 1.00 1.41 H new ATOM 0 HD2 LYS A 73 -2.041 10.552 5.448 1.00 11.54 H new ATOM 0 HD3 LYS A 73 -3.116 11.238 6.650 1.00 11.54 H new ATOM 0 HE2 LYS A 73 -1.756 13.389 6.545 1.00 1.15 H new ATOM 0 HE3 LYS A 73 -0.834 12.690 5.228 1.00 1.15 H new ATOM 0 HZ1 LYS A 73 -2.639 14.117 4.464 1.00 51.12 H new ATOM 0 HZ2 LYS A 73 -2.828 12.521 3.915 1.00 51.12 H new ATOM 0 HZ3 LYS A 73 -3.777 13.094 5.201 1.00 51.12 H new ATOM 1193 N LEU A 74 0.042 6.764 8.748 1.00 70.23 N ATOM 1194 CA LEU A 74 -0.032 5.334 9.026 1.00 74.43 C ATOM 1195 C LEU A 74 0.643 4.983 10.353 1.00 52.50 C ATOM 1196 O LEU A 74 0.169 4.088 11.049 1.00 72.11 O ATOM 1197 CB LEU A 74 0.601 4.542 7.869 1.00 72.41 C ATOM 1198 CG LEU A 74 -0.160 4.688 6.534 1.00 4.12 C ATOM 1199 CD1 LEU A 74 0.718 4.195 5.381 1.00 23.33 C ATOM 1200 CD2 LEU A 74 -1.480 3.912 6.540 1.00 2.45 C ATOM 0 H LEU A 74 0.592 6.984 7.918 1.00 70.23 H new ATOM 0 HA LEU A 74 -1.083 5.059 9.113 1.00 74.43 H new ATOM 0 HB2 LEU A 74 1.629 4.876 7.730 1.00 72.41 H new ATOM 0 HB3 LEU A 74 0.642 3.487 8.141 1.00 72.41 H new ATOM 0 HG LEU A 74 -0.394 5.744 6.402 1.00 4.12 H new ATOM 0 HD11 LEU A 74 0.177 4.300 4.441 1.00 23.33 H new ATOM 0 HD12 LEU A 74 1.632 4.787 5.341 1.00 23.33 H new ATOM 0 HD13 LEU A 74 0.971 3.147 5.539 1.00 23.33 H new ATOM 0 HD21 LEU A 74 -1.983 4.042 5.582 1.00 2.45 H new ATOM 0 HD22 LEU A 74 -1.279 2.853 6.703 1.00 2.45 H new ATOM 0 HD23 LEU A 74 -2.119 4.287 7.339 1.00 2.45 H new ATOM 1212 N ASN A 75 1.713 5.687 10.742 1.00 13.42 N ATOM 1213 CA ASN A 75 2.409 5.418 12.004 1.00 52.53 C ATOM 1214 C ASN A 75 1.492 5.575 13.221 1.00 12.45 C ATOM 1215 O ASN A 75 1.740 4.913 14.230 1.00 53.33 O ATOM 1216 CB ASN A 75 3.618 6.349 12.207 1.00 55.23 C ATOM 1217 CG ASN A 75 4.871 5.994 11.421 1.00 61.43 C ATOM 1218 OD1 ASN A 75 5.003 4.924 10.840 1.00 24.11 O ATOM 1219 ND2 ASN A 75 5.857 6.874 11.434 1.00 44.34 N ATOM 0 H ASN A 75 2.116 6.450 10.198 1.00 13.42 H new ATOM 0 HA ASN A 75 2.743 4.383 11.928 1.00 52.53 H new ATOM 0 HB2 ASN A 75 3.320 7.363 11.939 1.00 55.23 H new ATOM 0 HB3 ASN A 75 3.869 6.360 13.268 1.00 55.23 H new ATOM 0 HD21 ASN A 75 6.734 6.664 10.958 1.00 44.34 H new ATOM 0 HD22 ASN A 75 5.740 7.763 11.920 1.00 44.34 H new ATOM 1226 N SER A 76 0.477 6.451 13.170 1.00 35.43 N ATOM 1227 CA SER A 76 -0.453 6.657 14.284 1.00 21.30 C ATOM 1228 C SER A 76 -1.257 5.382 14.543 1.00 43.20 C ATOM 1229 O SER A 76 -1.423 4.995 15.702 1.00 12.14 O ATOM 1230 CB SER A 76 -1.400 7.832 13.992 1.00 42.05 C ATOM 1231 OG SER A 76 -1.481 8.739 15.083 1.00 23.22 O ATOM 0 H SER A 76 0.281 7.034 12.356 1.00 35.43 H new ATOM 0 HA SER A 76 0.126 6.897 15.176 1.00 21.30 H new ATOM 0 HB2 SER A 76 -1.055 8.363 13.105 1.00 42.05 H new ATOM 0 HB3 SER A 76 -2.395 7.448 13.766 1.00 42.05 H new ATOM 0 HG SER A 76 -2.091 9.471 14.855 1.00 23.22 H new ATOM 1237 N LEU A 77 -1.722 4.734 13.468 1.00 35.14 N ATOM 1238 CA LEU A 77 -2.536 3.521 13.534 1.00 10.13 C ATOM 1239 C LEU A 77 -1.788 2.430 14.279 1.00 40.24 C ATOM 1240 O LEU A 77 -2.392 1.693 15.052 1.00 61.40 O ATOM 1241 CB LEU A 77 -2.876 3.011 12.124 1.00 75.23 C ATOM 1242 CG LEU A 77 -3.782 3.954 11.315 1.00 63.14 C ATOM 1243 CD1 LEU A 77 -3.767 3.544 9.842 1.00 41.03 C ATOM 1244 CD2 LEU A 77 -5.208 3.902 11.864 1.00 72.04 C ATOM 0 H LEU A 77 -1.539 5.045 12.514 1.00 35.14 H new ATOM 0 HA LEU A 77 -3.459 3.767 14.059 1.00 10.13 H new ATOM 0 HB2 LEU A 77 -1.949 2.855 11.573 1.00 75.23 H new ATOM 0 HB3 LEU A 77 -3.364 2.040 12.209 1.00 75.23 H new ATOM 0 HG LEU A 77 -3.410 4.975 11.402 1.00 63.14 H new ATOM 0 HD11 LEU A 77 -4.410 4.214 9.271 1.00 41.03 H new ATOM 0 HD12 LEU A 77 -2.749 3.604 9.458 1.00 41.03 H new ATOM 0 HD13 LEU A 77 -4.132 2.521 9.745 1.00 41.03 H new ATOM 0 HD21 LEU A 77 -5.845 4.572 11.287 1.00 72.04 H new ATOM 0 HD22 LEU A 77 -5.590 2.884 11.789 1.00 72.04 H new ATOM 0 HD23 LEU A 77 -5.207 4.213 12.909 1.00 72.04 H new ATOM 1256 N ASN A 78 -0.480 2.345 14.035 1.00 63.05 N ATOM 1257 CA ASN A 78 0.437 1.377 14.630 1.00 32.13 C ATOM 1258 C ASN A 78 -0.160 -0.036 14.632 1.00 22.01 C ATOM 1259 O ASN A 78 -0.278 -0.707 15.657 1.00 65.25 O ATOM 1260 CB ASN A 78 0.914 1.855 16.008 1.00 44.24 C ATOM 1261 CG ASN A 78 2.142 1.078 16.462 1.00 55.32 C ATOM 1262 OD1 ASN A 78 2.902 0.563 15.645 1.00 4.33 O ATOM 1263 ND2 ASN A 78 2.406 1.026 17.751 1.00 42.25 N ATOM 0 H ASN A 78 -0.011 2.979 13.388 1.00 63.05 H new ATOM 0 HA ASN A 78 1.330 1.310 14.008 1.00 32.13 H new ATOM 0 HB2 ASN A 78 1.148 2.919 15.967 1.00 44.24 H new ATOM 0 HB3 ASN A 78 0.112 1.733 16.736 1.00 44.24 H new ATOM 0 HD21 ASN A 78 3.249 0.555 18.080 1.00 42.25 H new ATOM 0 HD22 ASN A 78 1.768 1.457 18.420 1.00 42.25 H new ATOM 1270 N GLU A 79 -0.598 -0.440 13.446 1.00 14.14 N ATOM 1271 CA GLU A 79 -1.114 -1.728 13.027 1.00 13.55 C ATOM 1272 C GLU A 79 -0.396 -2.065 11.714 1.00 3.41 C ATOM 1273 O GLU A 79 0.095 -1.145 11.052 1.00 11.45 O ATOM 1274 CB GLU A 79 -2.607 -1.546 12.744 1.00 64.13 C ATOM 1275 CG GLU A 79 -3.537 -1.988 13.863 1.00 11.34 C ATOM 1276 CD GLU A 79 -3.993 -3.440 13.697 1.00 60.53 C ATOM 1277 OE1 GLU A 79 -4.693 -3.709 12.695 1.00 11.10 O ATOM 1278 OE2 GLU A 79 -3.651 -4.302 14.546 1.00 43.43 O ATOM 0 H GLU A 79 -0.597 0.213 12.662 1.00 14.14 H new ATOM 0 HA GLU A 79 -0.964 -2.509 13.772 1.00 13.55 H new ATOM 0 HB2 GLU A 79 -2.795 -0.493 12.532 1.00 64.13 H new ATOM 0 HB3 GLU A 79 -2.860 -2.103 11.842 1.00 64.13 H new ATOM 0 HG2 GLU A 79 -3.029 -1.876 14.821 1.00 11.34 H new ATOM 0 HG3 GLU A 79 -4.410 -1.335 13.887 1.00 11.34 H new ATOM 1285 N PRO A 80 -0.347 -3.336 11.288 1.00 61.41 N ATOM 1286 CA PRO A 80 0.300 -3.713 10.039 1.00 50.42 C ATOM 1287 C PRO A 80 -0.489 -3.211 8.835 1.00 3.12 C ATOM 1288 O PRO A 80 -1.725 -3.209 8.870 1.00 12.22 O ATOM 1289 CB PRO A 80 0.326 -5.240 10.046 1.00 31.31 C ATOM 1290 CG PRO A 80 -0.893 -5.615 10.882 1.00 53.44 C ATOM 1291 CD PRO A 80 -0.935 -4.504 11.928 1.00 63.02 C ATOM 0 HA PRO A 80 1.297 -3.279 9.963 1.00 50.42 H new ATOM 0 HB2 PRO A 80 0.261 -5.647 9.037 1.00 31.31 H new ATOM 0 HB3 PRO A 80 1.247 -5.623 10.485 1.00 31.31 H new ATOM 0 HG2 PRO A 80 -1.803 -5.642 10.282 1.00 53.44 H new ATOM 0 HG3 PRO A 80 -0.784 -6.598 11.339 1.00 53.44 H new ATOM 0 HD2 PRO A 80 -1.959 -4.303 12.244 1.00 63.02 H new ATOM 0 HD3 PRO A 80 -0.375 -4.785 12.820 1.00 63.02 H new ATOM 1299 N LEU A 81 0.224 -2.839 7.769 1.00 4.54 N ATOM 1300 CA LEU A 81 -0.330 -2.494 6.481 1.00 72.41 C ATOM 1301 C LEU A 81 0.059 -3.540 5.436 1.00 61.23 C ATOM 1302 O LEU A 81 0.941 -4.378 5.648 1.00 3.33 O ATOM 1303 CB LEU A 81 0.166 -1.120 5.995 1.00 72.32 C ATOM 1304 CG LEU A 81 0.300 0.034 7.000 1.00 52.22 C ATOM 1305 CD1 LEU A 81 -0.905 0.248 7.918 1.00 73.24 C ATOM 1306 CD2 LEU A 81 1.585 -0.015 7.813 1.00 64.30 C ATOM 0 H LEU A 81 1.241 -2.771 7.793 1.00 4.54 H new ATOM 0 HA LEU A 81 -1.413 -2.459 6.602 1.00 72.41 H new ATOM 0 HB2 LEU A 81 1.144 -1.269 5.536 1.00 72.32 H new ATOM 0 HB3 LEU A 81 -0.509 -0.789 5.206 1.00 72.32 H new ATOM 0 HG LEU A 81 0.341 0.907 6.349 1.00 52.22 H new ATOM 0 HD11 LEU A 81 -0.708 1.085 8.588 1.00 73.24 H new ATOM 0 HD12 LEU A 81 -1.787 0.465 7.316 1.00 73.24 H new ATOM 0 HD13 LEU A 81 -1.079 -0.653 8.506 1.00 73.24 H new ATOM 0 HD21 LEU A 81 1.612 0.830 8.502 1.00 64.30 H new ATOM 0 HD22 LEU A 81 1.622 -0.946 8.379 1.00 64.30 H new ATOM 0 HD23 LEU A 81 2.442 0.036 7.142 1.00 64.30 H new ATOM 1318 N VAL A 82 -0.533 -3.404 4.255 1.00 20.34 N ATOM 1319 CA VAL A 82 -0.187 -4.134 3.045 1.00 71.04 C ATOM 1320 C VAL A 82 -0.424 -3.196 1.850 1.00 13.52 C ATOM 1321 O VAL A 82 -1.540 -2.719 1.655 1.00 13.10 O ATOM 1322 CB VAL A 82 -0.955 -5.480 3.015 1.00 71.41 C ATOM 1323 CG1 VAL A 82 -2.487 -5.351 3.057 1.00 23.24 C ATOM 1324 CG2 VAL A 82 -0.552 -6.332 1.806 1.00 53.11 C ATOM 0 H VAL A 82 -1.303 -2.751 4.110 1.00 20.34 H new ATOM 0 HA VAL A 82 0.863 -4.422 3.003 1.00 71.04 H new ATOM 0 HB VAL A 82 -0.659 -5.974 3.940 1.00 71.41 H new ATOM 0 HG11 VAL A 82 -2.937 -6.344 3.032 1.00 23.24 H new ATOM 0 HG12 VAL A 82 -2.784 -4.841 3.973 1.00 23.24 H new ATOM 0 HG13 VAL A 82 -2.828 -4.777 2.195 1.00 23.24 H new ATOM 0 HG21 VAL A 82 -1.111 -7.268 1.818 1.00 53.11 H new ATOM 0 HG22 VAL A 82 -0.774 -5.789 0.888 1.00 53.11 H new ATOM 0 HG23 VAL A 82 0.516 -6.546 1.852 1.00 53.11 H new ATOM 1334 N THR A 83 0.608 -2.839 1.079 1.00 11.13 N ATOM 1335 CA THR A 83 0.461 -1.981 -0.103 1.00 45.10 C ATOM 1336 C THR A 83 1.661 -2.174 -1.031 1.00 42.42 C ATOM 1337 O THR A 83 2.689 -2.689 -0.610 1.00 31.30 O ATOM 1338 CB THR A 83 0.295 -0.513 0.334 1.00 52.42 C ATOM 1339 OG1 THR A 83 -0.085 0.308 -0.755 1.00 71.12 O ATOM 1340 CG2 THR A 83 1.530 0.080 1.027 1.00 25.11 C ATOM 0 H THR A 83 1.568 -3.136 1.256 1.00 11.13 H new ATOM 0 HA THR A 83 -0.434 -2.260 -0.658 1.00 45.10 H new ATOM 0 HB THR A 83 -0.501 -0.529 1.078 1.00 52.42 H new ATOM 0 HG1 THR A 83 -0.784 0.931 -0.466 1.00 71.12 H new ATOM 0 HG21 THR A 83 1.330 1.116 1.303 1.00 25.11 H new ATOM 0 HG22 THR A 83 1.756 -0.497 1.924 1.00 25.11 H new ATOM 0 HG23 THR A 83 2.381 0.043 0.347 1.00 25.11 H new ATOM 1348 N MET A 84 1.586 -1.755 -2.293 1.00 43.13 N ATOM 1349 CA MET A 84 2.763 -1.707 -3.150 1.00 51.32 C ATOM 1350 C MET A 84 3.650 -0.543 -2.663 1.00 33.35 C ATOM 1351 O MET A 84 3.142 0.362 -1.995 1.00 15.22 O ATOM 1352 CB MET A 84 2.359 -1.538 -4.629 1.00 20.33 C ATOM 1353 CG MET A 84 1.058 -2.257 -5.022 1.00 43.41 C ATOM 1354 SD MET A 84 -0.427 -1.243 -4.714 1.00 74.53 S ATOM 1355 CE MET A 84 -1.517 -2.317 -3.746 1.00 72.13 C ATOM 0 H MET A 84 0.724 -1.445 -2.741 1.00 43.13 H new ATOM 0 HA MET A 84 3.320 -2.642 -3.088 1.00 51.32 H new ATOM 0 HB2 MET A 84 2.250 -0.475 -4.843 1.00 20.33 H new ATOM 0 HB3 MET A 84 3.168 -1.909 -5.258 1.00 20.33 H new ATOM 0 HG2 MET A 84 1.099 -2.522 -6.078 1.00 43.41 H new ATOM 0 HG3 MET A 84 0.979 -3.189 -4.462 1.00 43.41 H new ATOM 0 HE1 MET A 84 -2.307 -1.719 -3.291 1.00 72.13 H new ATOM 0 HE2 MET A 84 -1.961 -3.068 -4.399 1.00 72.13 H new ATOM 0 HE3 MET A 84 -0.940 -2.811 -2.964 1.00 72.13 H new ATOM 1365 N PRO A 85 4.945 -0.503 -3.006 1.00 5.04 N ATOM 1366 CA PRO A 85 5.811 0.641 -2.733 1.00 43.24 C ATOM 1367 C PRO A 85 5.129 1.931 -3.211 1.00 32.35 C ATOM 1368 O PRO A 85 4.808 2.044 -4.393 1.00 74.05 O ATOM 1369 CB PRO A 85 7.126 0.349 -3.469 1.00 51.25 C ATOM 1370 CG PRO A 85 7.117 -1.168 -3.671 1.00 34.35 C ATOM 1371 CD PRO A 85 5.630 -1.484 -3.819 1.00 14.05 C ATOM 0 HA PRO A 85 6.007 0.786 -1.671 1.00 43.24 H new ATOM 0 HB2 PRO A 85 7.175 0.877 -4.421 1.00 51.25 H new ATOM 0 HB3 PRO A 85 7.989 0.667 -2.884 1.00 51.25 H new ATOM 0 HG2 PRO A 85 7.682 -1.461 -4.556 1.00 34.35 H new ATOM 0 HG3 PRO A 85 7.559 -1.691 -2.823 1.00 34.35 H new ATOM 0 HD2 PRO A 85 5.316 -1.419 -4.861 1.00 14.05 H new ATOM 0 HD3 PRO A 85 5.408 -2.497 -3.482 1.00 14.05 H new ATOM 1379 N ILE A 86 4.809 2.849 -2.292 1.00 12.23 N ATOM 1380 CA ILE A 86 3.964 4.008 -2.590 1.00 45.10 C ATOM 1381 C ILE A 86 4.645 4.863 -3.655 1.00 73.33 C ATOM 1382 O ILE A 86 4.100 5.068 -4.738 1.00 33.11 O ATOM 1383 CB ILE A 86 3.633 4.809 -1.307 1.00 31.24 C ATOM 1384 CG1 ILE A 86 2.794 3.939 -0.339 1.00 54.24 C ATOM 1385 CG2 ILE A 86 2.970 6.156 -1.662 1.00 13.02 C ATOM 1386 CD1 ILE A 86 2.497 4.604 1.010 1.00 64.35 C ATOM 0 H ILE A 86 5.128 2.809 -1.324 1.00 12.23 H new ATOM 0 HA ILE A 86 3.006 3.669 -2.985 1.00 45.10 H new ATOM 0 HB ILE A 86 4.554 5.059 -0.780 1.00 31.24 H new ATOM 0 HG12 ILE A 86 1.850 3.686 -0.822 1.00 54.24 H new ATOM 0 HG13 ILE A 86 3.322 3.002 -0.161 1.00 54.24 H new ATOM 0 HG21 ILE A 86 2.745 6.703 -0.747 1.00 13.02 H new ATOM 0 HG22 ILE A 86 3.649 6.744 -2.279 1.00 13.02 H new ATOM 0 HG23 ILE A 86 2.046 5.973 -2.211 1.00 13.02 H new ATOM 0 HD11 ILE A 86 1.906 3.927 1.627 1.00 64.35 H new ATOM 0 HD12 ILE A 86 3.434 4.832 1.518 1.00 64.35 H new ATOM 0 HD13 ILE A 86 1.940 5.526 0.846 1.00 64.35 H new ATOM 1398 N GLY A 87 5.824 5.389 -3.341 1.00 12.13 N ATOM 1399 CA GLY A 87 6.519 6.299 -4.221 1.00 12.20 C ATOM 1400 C GLY A 87 7.381 5.500 -5.183 1.00 53.23 C ATOM 1401 O GLY A 87 8.500 5.161 -4.825 1.00 34.31 O ATOM 0 H GLY A 87 6.317 5.192 -2.470 1.00 12.13 H new ATOM 0 HA2 GLY A 87 5.803 6.907 -4.774 1.00 12.20 H new ATOM 0 HA3 GLY A 87 7.138 6.983 -3.641 1.00 12.20 H new ATOM 1405 N TYR A 88 6.913 5.239 -6.405 1.00 12.14 N ATOM 1406 CA TYR A 88 7.751 4.711 -7.494 1.00 31.12 C ATOM 1407 C TYR A 88 7.500 5.423 -8.835 1.00 71.30 C ATOM 1408 O TYR A 88 8.376 5.460 -9.695 1.00 62.25 O ATOM 1409 CB TYR A 88 7.549 3.192 -7.595 1.00 51.32 C ATOM 1410 CG TYR A 88 8.525 2.497 -8.527 1.00 43.33 C ATOM 1411 CD1 TYR A 88 9.779 2.055 -8.061 1.00 51.22 C ATOM 1412 CD2 TYR A 88 8.179 2.294 -9.874 1.00 52.21 C ATOM 1413 CE1 TYR A 88 10.654 1.385 -8.934 1.00 45.02 C ATOM 1414 CE2 TYR A 88 9.058 1.663 -10.762 1.00 62.44 C ATOM 1415 CZ TYR A 88 10.300 1.187 -10.286 1.00 72.01 C ATOM 1416 OH TYR A 88 11.120 0.454 -11.089 1.00 30.14 O ATOM 0 H TYR A 88 5.940 5.387 -6.672 1.00 12.14 H new ATOM 0 HA TYR A 88 8.795 4.914 -7.255 1.00 31.12 H new ATOM 0 HB2 TYR A 88 7.641 2.757 -6.600 1.00 51.32 H new ATOM 0 HB3 TYR A 88 6.533 2.993 -7.937 1.00 51.32 H new ATOM 0 HD1 TYR A 88 10.068 2.231 -7.035 1.00 51.22 H new ATOM 0 HD2 TYR A 88 7.217 2.631 -10.231 1.00 52.21 H new ATOM 0 HE1 TYR A 88 11.602 1.020 -8.568 1.00 45.02 H new ATOM 0 HE2 TYR A 88 8.789 1.541 -11.801 1.00 62.44 H new ATOM 0 HH TYR A 88 10.739 0.407 -11.991 1.00 30.14 H new ATOM 1426 N VAL A 89 6.347 6.067 -8.994 1.00 32.24 N ATOM 1427 CA VAL A 89 5.904 6.719 -10.220 1.00 75.20 C ATOM 1428 C VAL A 89 5.430 8.129 -9.890 1.00 42.43 C ATOM 1429 O VAL A 89 5.894 9.084 -10.506 1.00 3.00 O ATOM 1430 CB VAL A 89 4.796 5.875 -10.892 1.00 30.54 C ATOM 1431 CG1 VAL A 89 4.119 6.619 -12.049 1.00 0.03 C ATOM 1432 CG2 VAL A 89 5.346 4.534 -11.395 1.00 62.51 C ATOM 0 H VAL A 89 5.667 6.152 -8.238 1.00 32.24 H new ATOM 0 HA VAL A 89 6.728 6.796 -10.930 1.00 75.20 H new ATOM 0 HB VAL A 89 4.045 5.689 -10.124 1.00 30.54 H new ATOM 0 HG11 VAL A 89 3.349 5.985 -12.488 1.00 0.03 H new ATOM 0 HG12 VAL A 89 3.664 7.536 -11.675 1.00 0.03 H new ATOM 0 HG13 VAL A 89 4.862 6.865 -12.807 1.00 0.03 H new ATOM 0 HG21 VAL A 89 4.543 3.964 -11.862 1.00 62.51 H new ATOM 0 HG22 VAL A 89 6.135 4.715 -12.125 1.00 62.51 H new ATOM 0 HG23 VAL A 89 5.751 3.969 -10.556 1.00 62.51 H new ATOM 1442 N THR A 90 4.519 8.276 -8.926 1.00 15.11 N ATOM 1443 CA THR A 90 3.845 9.535 -8.627 1.00 65.03 C ATOM 1444 C THR A 90 4.854 10.678 -8.420 1.00 64.34 C ATOM 1445 O THR A 90 4.707 11.740 -9.031 1.00 70.02 O ATOM 1446 CB THR A 90 2.868 9.311 -7.453 1.00 10.41 C ATOM 1447 OG1 THR A 90 2.098 10.463 -7.185 1.00 70.23 O ATOM 1448 CG2 THR A 90 3.545 8.853 -6.153 1.00 41.34 C ATOM 0 H THR A 90 4.226 7.508 -8.322 1.00 15.11 H new ATOM 0 HA THR A 90 3.247 9.862 -9.478 1.00 65.03 H new ATOM 0 HB THR A 90 2.222 8.500 -7.790 1.00 10.41 H new ATOM 0 HG1 THR A 90 1.490 10.284 -6.438 1.00 70.23 H new ATOM 0 HG21 THR A 90 2.791 8.718 -5.378 1.00 41.34 H new ATOM 0 HG22 THR A 90 4.061 7.909 -6.325 1.00 41.34 H new ATOM 0 HG23 THR A 90 4.264 9.607 -5.832 1.00 41.34 H new ATOM 1456 N HIS A 91 5.909 10.435 -7.640 1.00 70.31 N ATOM 1457 CA HIS A 91 6.973 11.376 -7.312 1.00 74.40 C ATOM 1458 C HIS A 91 8.214 11.149 -8.204 1.00 32.00 C ATOM 1459 O HIS A 91 9.239 11.796 -7.996 1.00 32.44 O ATOM 1460 CB HIS A 91 7.302 11.236 -5.810 1.00 70.12 C ATOM 1461 CG HIS A 91 7.796 12.493 -5.137 1.00 10.24 C ATOM 1462 ND1 HIS A 91 8.781 13.331 -5.613 1.00 51.41 N ATOM 1463 CD2 HIS A 91 7.459 12.923 -3.879 1.00 2.54 C ATOM 1464 CE1 HIS A 91 9.051 14.238 -4.663 1.00 53.35 C ATOM 1465 NE2 HIS A 91 8.243 14.050 -3.606 1.00 54.44 N ATOM 0 H HIS A 91 6.048 9.526 -7.198 1.00 70.31 H new ATOM 0 HA HIS A 91 6.642 12.396 -7.509 1.00 74.40 H new ATOM 0 HB2 HIS A 91 6.408 10.893 -5.290 1.00 70.12 H new ATOM 0 HB3 HIS A 91 8.058 10.459 -5.692 1.00 70.12 H new ATOM 0 HD1 HIS A 91 9.227 13.272 -6.528 1.00 51.41 H new ATOM 0 HD2 HIS A 91 6.727 12.476 -3.223 1.00 2.54 H new ATOM 0 HE1 HIS A 91 9.806 15.006 -4.737 1.00 53.35 H new ATOM 1473 N GLY A 92 8.154 10.256 -9.199 1.00 32.31 N ATOM 1474 CA GLY A 92 9.250 9.993 -10.130 1.00 33.43 C ATOM 1475 C GLY A 92 10.397 9.200 -9.499 1.00 11.33 C ATOM 1476 O GLY A 92 11.549 9.376 -9.892 1.00 3.14 O ATOM 0 H GLY A 92 7.327 9.688 -9.380 1.00 32.31 H new ATOM 0 HA2 GLY A 92 8.865 9.443 -10.989 1.00 33.43 H new ATOM 0 HA3 GLY A 92 9.635 10.941 -10.505 1.00 33.43 H new ATOM 1480 N PHE A 93 10.101 8.380 -8.487 1.00 20.11 N ATOM 1481 CA PHE A 93 11.103 7.663 -7.692 1.00 21.41 C ATOM 1482 C PHE A 93 11.732 6.493 -8.468 1.00 74.33 C ATOM 1483 O PHE A 93 11.445 6.267 -9.643 1.00 12.24 O ATOM 1484 CB PHE A 93 10.462 7.278 -6.347 1.00 63.23 C ATOM 1485 CG PHE A 93 10.266 8.423 -5.350 1.00 15.01 C ATOM 1486 CD1 PHE A 93 10.705 9.737 -5.618 1.00 15.22 C ATOM 1487 CD2 PHE A 93 9.664 8.169 -4.102 1.00 32.55 C ATOM 1488 CE1 PHE A 93 10.578 10.746 -4.655 1.00 0.21 C ATOM 1489 CE2 PHE A 93 9.475 9.200 -3.165 1.00 40.22 C ATOM 1490 CZ PHE A 93 9.952 10.492 -3.428 1.00 15.05 C ATOM 0 H PHE A 93 9.143 8.192 -8.192 1.00 20.11 H new ATOM 0 HA PHE A 93 11.956 8.307 -7.479 1.00 21.41 H new ATOM 0 HB2 PHE A 93 9.491 6.824 -6.546 1.00 63.23 H new ATOM 0 HB3 PHE A 93 11.081 6.514 -5.877 1.00 63.23 H new ATOM 0 HD1 PHE A 93 11.144 9.967 -6.577 1.00 15.22 H new ATOM 0 HD2 PHE A 93 9.343 7.166 -3.861 1.00 32.55 H new ATOM 0 HE1 PHE A 93 10.968 11.732 -4.861 1.00 0.21 H new ATOM 0 HE2 PHE A 93 8.960 8.996 -2.238 1.00 40.22 H new ATOM 0 HZ PHE A 93 9.839 11.278 -2.697 1.00 15.05 H new ATOM 1500 N ASN A 94 12.639 5.776 -7.807 1.00 43.31 N ATOM 1501 CA ASN A 94 13.298 4.547 -8.241 1.00 21.53 C ATOM 1502 C ASN A 94 13.183 3.545 -7.087 1.00 35.23 C ATOM 1503 O ASN A 94 12.677 3.888 -6.017 1.00 23.35 O ATOM 1504 CB ASN A 94 14.780 4.808 -8.590 1.00 1.20 C ATOM 1505 CG ASN A 94 14.979 5.647 -9.845 1.00 42.30 C ATOM 1506 OD1 ASN A 94 15.543 6.735 -9.797 1.00 63.55 O ATOM 1507 ND2 ASN A 94 14.524 5.183 -10.997 1.00 71.21 N ATOM 0 H ASN A 94 12.957 6.063 -6.881 1.00 43.31 H new ATOM 0 HA ASN A 94 12.824 4.157 -9.142 1.00 21.53 H new ATOM 0 HB2 ASN A 94 15.258 5.310 -7.749 1.00 1.20 H new ATOM 0 HB3 ASN A 94 15.287 3.852 -8.720 1.00 1.20 H new ATOM 0 HD21 ASN A 94 14.642 5.730 -11.850 1.00 71.21 H new ATOM 0 HD22 ASN A 94 14.055 4.278 -11.033 1.00 71.21 H new ATOM 1514 N LEU A 95 13.670 2.317 -7.260 1.00 4.51 N ATOM 1515 CA LEU A 95 13.506 1.231 -6.296 1.00 41.24 C ATOM 1516 C LEU A 95 14.179 1.533 -4.950 1.00 64.45 C ATOM 1517 O LEU A 95 13.710 1.045 -3.926 1.00 13.12 O ATOM 1518 CB LEU A 95 14.013 -0.092 -6.919 1.00 13.35 C ATOM 1519 CG LEU A 95 13.315 -1.356 -6.374 1.00 51.03 C ATOM 1520 CD1 LEU A 95 11.832 -1.420 -6.784 1.00 32.34 C ATOM 1521 CD2 LEU A 95 13.976 -2.631 -6.912 1.00 65.42 C ATOM 0 H LEU A 95 14.199 2.045 -8.089 1.00 4.51 H new ATOM 0 HA LEU A 95 12.444 1.128 -6.072 1.00 41.24 H new ATOM 0 HB2 LEU A 95 13.872 -0.050 -7.999 1.00 13.35 H new ATOM 0 HB3 LEU A 95 15.085 -0.177 -6.741 1.00 13.35 H new ATOM 0 HG LEU A 95 13.404 -1.296 -5.289 1.00 51.03 H new ATOM 0 HD11 LEU A 95 11.381 -2.326 -6.379 1.00 32.34 H new ATOM 0 HD12 LEU A 95 11.308 -0.548 -6.393 1.00 32.34 H new ATOM 0 HD13 LEU A 95 11.755 -1.432 -7.871 1.00 32.34 H new ATOM 0 HD21 LEU A 95 13.462 -3.504 -6.510 1.00 65.42 H new ATOM 0 HD22 LEU A 95 13.914 -2.642 -8.000 1.00 65.42 H new ATOM 0 HD23 LEU A 95 15.023 -2.654 -6.608 1.00 65.42 H new ATOM 1533 N GLU A 96 15.233 2.357 -4.938 1.00 45.40 N ATOM 1534 CA GLU A 96 15.926 2.764 -3.718 1.00 63.40 C ATOM 1535 C GLU A 96 15.122 3.842 -2.992 1.00 21.11 C ATOM 1536 O GLU A 96 14.891 3.737 -1.790 1.00 13.25 O ATOM 1537 CB GLU A 96 17.340 3.249 -4.070 1.00 14.44 C ATOM 1538 CG GLU A 96 18.119 3.680 -2.819 1.00 64.41 C ATOM 1539 CD GLU A 96 19.604 3.882 -3.117 1.00 23.42 C ATOM 1540 OE1 GLU A 96 19.986 4.825 -3.842 1.00 30.23 O ATOM 1541 OE2 GLU A 96 20.431 3.089 -2.619 1.00 61.55 O ATOM 0 H GLU A 96 15.630 2.762 -5.786 1.00 45.40 H new ATOM 0 HA GLU A 96 16.017 1.913 -3.043 1.00 63.40 H new ATOM 0 HB2 GLU A 96 17.882 2.452 -4.580 1.00 14.44 H new ATOM 0 HB3 GLU A 96 17.275 4.086 -4.765 1.00 14.44 H new ATOM 0 HG2 GLU A 96 17.697 4.606 -2.429 1.00 64.41 H new ATOM 0 HG3 GLU A 96 18.004 2.925 -2.041 1.00 64.41 H new ATOM 1548 N GLU A 97 14.655 4.854 -3.727 1.00 2.04 N ATOM 1549 CA GLU A 97 13.775 5.909 -3.233 1.00 42.31 C ATOM 1550 C GLU A 97 12.543 5.281 -2.570 1.00 64.41 C ATOM 1551 O GLU A 97 12.241 5.531 -1.401 1.00 11.40 O ATOM 1552 CB GLU A 97 13.362 6.805 -4.404 1.00 62.10 C ATOM 1553 CG GLU A 97 14.448 7.762 -4.897 1.00 54.32 C ATOM 1554 CD GLU A 97 14.345 9.098 -4.161 1.00 21.32 C ATOM 1555 OE1 GLU A 97 14.464 9.086 -2.912 1.00 13.12 O ATOM 1556 OE2 GLU A 97 14.141 10.149 -4.807 1.00 61.52 O ATOM 0 H GLU A 97 14.888 4.963 -4.714 1.00 2.04 H new ATOM 0 HA GLU A 97 14.295 6.514 -2.491 1.00 42.31 H new ATOM 0 HB2 GLU A 97 13.052 6.172 -5.235 1.00 62.10 H new ATOM 0 HB3 GLU A 97 12.491 7.389 -4.106 1.00 62.10 H new ATOM 0 HG2 GLU A 97 15.432 7.323 -4.733 1.00 54.32 H new ATOM 0 HG3 GLU A 97 14.344 7.920 -5.970 1.00 54.32 H new ATOM 1563 N ALA A 98 11.866 4.405 -3.312 1.00 75.34 N ATOM 1564 CA ALA A 98 10.684 3.671 -2.881 1.00 11.04 C ATOM 1565 C ALA A 98 10.928 2.794 -1.646 1.00 42.03 C ATOM 1566 O ALA A 98 9.970 2.404 -0.973 1.00 23.21 O ATOM 1567 CB ALA A 98 10.223 2.782 -4.042 1.00 71.22 C ATOM 0 H ALA A 98 12.140 4.181 -4.269 1.00 75.34 H new ATOM 0 HA ALA A 98 9.927 4.403 -2.600 1.00 11.04 H new ATOM 0 HB1 ALA A 98 9.337 2.222 -3.742 1.00 71.22 H new ATOM 0 HB2 ALA A 98 9.984 3.405 -4.904 1.00 71.22 H new ATOM 0 HB3 ALA A 98 11.020 2.087 -4.307 1.00 71.22 H new ATOM 1573 N ALA A 99 12.179 2.444 -1.350 1.00 25.34 N ATOM 1574 CA ALA A 99 12.547 1.717 -0.147 1.00 44.54 C ATOM 1575 C ALA A 99 12.801 2.687 1.005 1.00 32.51 C ATOM 1576 O ALA A 99 12.215 2.501 2.070 1.00 35.11 O ATOM 1577 CB ALA A 99 13.761 0.843 -0.431 1.00 25.23 C ATOM 0 H ALA A 99 12.973 2.663 -1.951 1.00 25.34 H new ATOM 0 HA ALA A 99 11.725 1.067 0.154 1.00 44.54 H new ATOM 0 HB1 ALA A 99 14.036 0.298 0.472 1.00 25.23 H new ATOM 0 HB2 ALA A 99 13.522 0.134 -1.224 1.00 25.23 H new ATOM 0 HB3 ALA A 99 14.595 1.470 -0.745 1.00 25.23 H new ATOM 1583 N ARG A 100 13.629 3.727 0.831 1.00 64.14 N ATOM 1584 CA ARG A 100 13.974 4.638 1.930 1.00 71.14 C ATOM 1585 C ARG A 100 12.733 5.321 2.499 1.00 24.21 C ATOM 1586 O ARG A 100 12.622 5.465 3.721 1.00 44.41 O ATOM 1587 CB ARG A 100 15.067 5.631 1.513 1.00 14.35 C ATOM 1588 CG ARG A 100 14.718 6.560 0.351 1.00 70.32 C ATOM 1589 CD ARG A 100 15.798 7.619 0.150 1.00 40.34 C ATOM 1590 NE ARG A 100 17.049 7.084 -0.428 1.00 23.31 N ATOM 1591 CZ ARG A 100 17.645 7.492 -1.560 1.00 2.51 C ATOM 1592 NH1 ARG A 100 17.032 8.303 -2.413 1.00 12.12 N ATOM 1593 NH2 ARG A 100 18.877 7.098 -1.843 1.00 4.04 N ATOM 0 H ARG A 100 14.071 3.957 -0.059 1.00 64.14 H new ATOM 0 HA ARG A 100 14.395 4.044 2.741 1.00 71.14 H new ATOM 0 HB2 ARG A 100 15.323 6.243 2.378 1.00 14.35 H new ATOM 0 HB3 ARG A 100 15.960 5.067 1.246 1.00 14.35 H new ATOM 0 HG2 ARG A 100 14.602 5.977 -0.563 1.00 70.32 H new ATOM 0 HG3 ARG A 100 13.761 7.044 0.544 1.00 70.32 H new ATOM 0 HD2 ARG A 100 15.411 8.402 -0.503 1.00 40.34 H new ATOM 0 HD3 ARG A 100 16.021 8.086 1.109 1.00 40.34 H new ATOM 0 HE ARG A 100 17.505 6.329 0.084 1.00 23.31 H new ATOM 0 HH11 ARG A 100 16.087 8.631 -2.215 1.00 12.12 H new ATOM 0 HH12 ARG A 100 17.506 8.599 -3.266 1.00 12.12 H new ATOM 0 HH21 ARG A 100 19.376 6.483 -1.200 1.00 4.04 H new ATOM 0 HH22 ARG A 100 19.327 7.410 -2.704 1.00 4.04 H new ATOM 1607 N CYS A 101 11.785 5.646 1.621 1.00 1.40 N ATOM 1608 CA CYS A 101 10.469 6.147 1.954 1.00 31.12 C ATOM 1609 C CYS A 101 9.762 5.180 2.907 1.00 53.04 C ATOM 1610 O CYS A 101 9.461 5.529 4.046 1.00 4.45 O ATOM 1611 CB CYS A 101 9.699 6.335 0.642 1.00 31.43 C ATOM 1612 SG CYS A 101 10.398 7.719 -0.286 1.00 1.40 S ATOM 0 H CYS A 101 11.928 5.560 0.615 1.00 1.40 H new ATOM 0 HA CYS A 101 10.530 7.104 2.472 1.00 31.12 H new ATOM 0 HB2 CYS A 101 9.750 5.424 0.046 1.00 31.43 H new ATOM 0 HB3 CYS A 101 8.646 6.521 0.851 1.00 31.43 H new ATOM 0 HG CYS A 101 9.929 7.709 -1.499 1.00 1.40 H new ATOM 1618 N MET A 102 9.500 3.955 2.453 1.00 73.12 N ATOM 1619 CA MET A 102 8.755 2.954 3.212 1.00 24.22 C ATOM 1620 C MET A 102 9.484 2.532 4.493 1.00 31.32 C ATOM 1621 O MET A 102 8.821 2.262 5.492 1.00 51.41 O ATOM 1622 CB MET A 102 8.486 1.746 2.308 1.00 5.41 C ATOM 1623 CG MET A 102 7.571 2.065 1.119 1.00 42.14 C ATOM 1624 SD MET A 102 5.845 2.435 1.535 1.00 53.55 S ATOM 1625 CE MET A 102 5.193 0.744 1.597 1.00 23.51 C ATOM 0 H MET A 102 9.803 3.627 1.536 1.00 73.12 H new ATOM 0 HA MET A 102 7.811 3.395 3.531 1.00 24.22 H new ATOM 0 HB2 MET A 102 9.436 1.364 1.934 1.00 5.41 H new ATOM 0 HB3 MET A 102 8.034 0.951 2.901 1.00 5.41 H new ATOM 0 HG2 MET A 102 7.987 2.917 0.582 1.00 42.14 H new ATOM 0 HG3 MET A 102 7.587 1.218 0.434 1.00 42.14 H new ATOM 0 HE1 MET A 102 4.161 0.765 1.946 1.00 23.51 H new ATOM 0 HE2 MET A 102 5.231 0.303 0.601 1.00 23.51 H new ATOM 0 HE3 MET A 102 5.795 0.147 2.282 1.00 23.51 H new ATOM 1635 N ARG A 103 10.820 2.526 4.522 1.00 52.33 N ATOM 1636 CA ARG A 103 11.612 2.241 5.723 1.00 44.10 C ATOM 1637 C ARG A 103 11.307 3.236 6.846 1.00 71.21 C ATOM 1638 O ARG A 103 11.429 2.905 8.028 1.00 3.13 O ATOM 1639 CB ARG A 103 13.099 2.330 5.348 1.00 31.24 C ATOM 1640 CG ARG A 103 14.057 1.851 6.449 1.00 44.05 C ATOM 1641 CD ARG A 103 15.462 2.317 6.070 1.00 70.11 C ATOM 1642 NE ARG A 103 16.437 2.124 7.143 1.00 21.33 N ATOM 1643 CZ ARG A 103 17.760 2.196 6.973 1.00 15.53 C ATOM 1644 NH1 ARG A 103 18.279 2.502 5.789 1.00 73.30 N ATOM 1645 NH2 ARG A 103 18.574 1.975 7.994 1.00 20.13 N ATOM 0 H ARG A 103 11.391 2.722 3.700 1.00 52.33 H new ATOM 0 HA ARG A 103 11.359 1.245 6.087 1.00 44.10 H new ATOM 0 HB2 ARG A 103 13.271 1.738 4.449 1.00 31.24 H new ATOM 0 HB3 ARG A 103 13.338 3.364 5.099 1.00 31.24 H new ATOM 0 HG2 ARG A 103 13.765 2.261 7.416 1.00 44.05 H new ATOM 0 HG3 ARG A 103 14.025 0.765 6.540 1.00 44.05 H new ATOM 0 HD2 ARG A 103 15.792 1.774 5.184 1.00 70.11 H new ATOM 0 HD3 ARG A 103 15.429 3.373 5.802 1.00 70.11 H new ATOM 0 HE ARG A 103 16.085 1.922 8.079 1.00 21.33 H new ATOM 0 HH11 ARG A 103 17.665 2.686 4.995 1.00 73.30 H new ATOM 0 HH12 ARG A 103 19.291 2.553 5.674 1.00 73.30 H new ATOM 0 HH21 ARG A 103 18.191 1.749 8.912 1.00 20.13 H new ATOM 0 HH22 ARG A 103 19.584 2.030 7.862 1.00 20.13 H new ATOM 1659 N SER A 104 10.942 4.469 6.491 1.00 33.24 N ATOM 1660 CA SER A 104 10.649 5.516 7.458 1.00 43.51 C ATOM 1661 C SER A 104 9.332 5.247 8.213 1.00 4.03 C ATOM 1662 O SER A 104 9.062 5.910 9.222 1.00 65.12 O ATOM 1663 CB SER A 104 10.617 6.869 6.737 1.00 75.44 C ATOM 1664 OG SER A 104 11.804 7.107 5.983 1.00 73.23 O ATOM 0 H SER A 104 10.842 4.766 5.520 1.00 33.24 H new ATOM 0 HA SER A 104 11.436 5.530 8.212 1.00 43.51 H new ATOM 0 HB2 SER A 104 9.754 6.904 6.073 1.00 75.44 H new ATOM 0 HB3 SER A 104 10.488 7.666 7.469 1.00 75.44 H new ATOM 0 HG SER A 104 11.857 6.465 5.244 1.00 73.23 H new ATOM 1670 N LEU A 105 8.510 4.302 7.737 1.00 61.44 N ATOM 1671 CA LEU A 105 7.303 3.824 8.400 1.00 51.33 C ATOM 1672 C LEU A 105 7.746 2.913 9.537 1.00 72.12 C ATOM 1673 O LEU A 105 8.605 2.053 9.349 1.00 32.15 O ATOM 1674 CB LEU A 105 6.405 3.104 7.370 1.00 63.03 C ATOM 1675 CG LEU A 105 4.894 3.350 7.552 1.00 62.12 C ATOM 1676 CD1 LEU A 105 4.156 3.031 6.253 1.00 41.22 C ATOM 1677 CD2 LEU A 105 4.222 2.561 8.638 1.00 44.32 C ATOM 0 H LEU A 105 8.680 3.836 6.846 1.00 61.44 H new ATOM 0 HA LEU A 105 6.709 4.638 8.815 1.00 51.33 H new ATOM 0 HB2 LEU A 105 6.694 3.425 6.369 1.00 63.03 H new ATOM 0 HB3 LEU A 105 6.595 2.032 7.429 1.00 63.03 H new ATOM 0 HG LEU A 105 4.836 4.400 7.840 1.00 62.12 H new ATOM 0 HD11 LEU A 105 3.089 3.207 6.388 1.00 41.22 H new ATOM 0 HD12 LEU A 105 4.531 3.672 5.455 1.00 41.22 H new ATOM 0 HD13 LEU A 105 4.321 1.987 5.988 1.00 41.22 H new ATOM 0 HD21 LEU A 105 3.163 2.817 8.672 1.00 44.32 H new ATOM 0 HD22 LEU A 105 4.331 1.496 8.435 1.00 44.32 H new ATOM 0 HD23 LEU A 105 4.683 2.796 9.597 1.00 44.32 H new ATOM 1689 N LYS A 106 7.218 3.162 10.731 1.00 11.44 N ATOM 1690 CA LYS A 106 7.539 2.402 11.932 1.00 32.52 C ATOM 1691 C LYS A 106 6.722 1.115 11.956 1.00 43.22 C ATOM 1692 O LYS A 106 7.273 0.062 12.269 1.00 62.12 O ATOM 1693 CB LYS A 106 7.263 3.267 13.173 1.00 53.42 C ATOM 1694 CG LYS A 106 8.242 4.452 13.287 1.00 65.05 C ATOM 1695 CD LYS A 106 9.612 4.030 13.847 1.00 12.24 C ATOM 1696 CE LYS A 106 9.554 3.943 15.375 1.00 31.41 C ATOM 1697 NZ LYS A 106 9.706 5.268 16.009 1.00 23.24 N ATOM 0 H LYS A 106 6.544 3.910 10.893 1.00 11.44 H new ATOM 0 HA LYS A 106 8.595 2.131 11.934 1.00 32.52 H new ATOM 0 HB2 LYS A 106 6.241 3.645 13.130 1.00 53.42 H new ATOM 0 HB3 LYS A 106 7.337 2.649 14.068 1.00 53.42 H new ATOM 0 HG2 LYS A 106 8.378 4.903 12.304 1.00 65.05 H new ATOM 0 HG3 LYS A 106 7.809 5.217 13.932 1.00 65.05 H new ATOM 0 HD2 LYS A 106 9.902 3.065 13.431 1.00 12.24 H new ATOM 0 HD3 LYS A 106 10.374 4.749 13.545 1.00 12.24 H new ATOM 0 HE2 LYS A 106 8.604 3.503 15.678 1.00 31.41 H new ATOM 0 HE3 LYS A 106 10.341 3.278 15.731 1.00 31.41 H new ATOM 0 HZ1 LYS A 106 9.661 5.165 17.043 1.00 23.24 H new ATOM 0 HZ2 LYS A 106 10.624 5.678 15.741 1.00 23.24 H new ATOM 0 HZ3 LYS A 106 8.940 5.895 15.690 1.00 23.24 H new ATOM 1711 N ALA A 107 5.439 1.205 11.600 1.00 63.52 N ATOM 1712 CA ALA A 107 4.590 0.042 11.410 1.00 21.43 C ATOM 1713 C ALA A 107 5.085 -0.766 10.198 1.00 41.12 C ATOM 1714 O ALA A 107 5.713 -0.197 9.297 1.00 71.54 O ATOM 1715 CB ALA A 107 3.141 0.520 11.245 1.00 12.52 C ATOM 0 H ALA A 107 4.964 2.093 11.436 1.00 63.52 H new ATOM 0 HA ALA A 107 4.633 -0.621 12.274 1.00 21.43 H new ATOM 0 HB1 ALA A 107 2.488 -0.341 11.101 1.00 12.52 H new ATOM 0 HB2 ALA A 107 2.833 1.064 12.138 1.00 12.52 H new ATOM 0 HB3 ALA A 107 3.071 1.177 10.378 1.00 12.52 H new ATOM 1721 N PRO A 108 4.815 -2.079 10.137 1.00 24.30 N ATOM 1722 CA PRO A 108 5.247 -2.909 9.028 1.00 34.13 C ATOM 1723 C PRO A 108 4.281 -2.743 7.854 1.00 15.42 C ATOM 1724 O PRO A 108 3.066 -2.781 8.048 1.00 54.13 O ATOM 1725 CB PRO A 108 5.235 -4.337 9.569 1.00 42.42 C ATOM 1726 CG PRO A 108 4.088 -4.313 10.575 1.00 32.23 C ATOM 1727 CD PRO A 108 4.091 -2.876 11.113 1.00 52.21 C ATOM 0 HA PRO A 108 6.236 -2.640 8.658 1.00 34.13 H new ATOM 0 HB2 PRO A 108 5.063 -5.067 8.778 1.00 42.42 H new ATOM 0 HB3 PRO A 108 6.182 -4.597 10.042 1.00 42.42 H new ATOM 0 HG2 PRO A 108 3.138 -4.559 10.102 1.00 32.23 H new ATOM 0 HG3 PRO A 108 4.243 -5.038 11.374 1.00 32.23 H new ATOM 0 HD2 PRO A 108 3.074 -2.506 11.240 1.00 52.21 H new ATOM 0 HD3 PRO A 108 4.572 -2.827 12.090 1.00 52.21 H new ATOM 1735 N ALA A 109 4.802 -2.614 6.636 1.00 64.41 N ATOM 1736 CA ALA A 109 4.031 -2.727 5.411 1.00 65.35 C ATOM 1737 C ALA A 109 4.550 -3.960 4.686 1.00 1.42 C ATOM 1738 O ALA A 109 5.725 -4.016 4.310 1.00 35.43 O ATOM 1739 CB ALA A 109 4.167 -1.469 4.548 1.00 43.04 C ATOM 0 H ALA A 109 5.791 -2.424 6.475 1.00 64.41 H new ATOM 0 HA ALA A 109 2.967 -2.825 5.628 1.00 65.35 H new ATOM 0 HB1 ALA A 109 3.578 -1.586 3.639 1.00 43.04 H new ATOM 0 HB2 ALA A 109 3.806 -0.605 5.105 1.00 43.04 H new ATOM 0 HB3 ALA A 109 5.214 -1.320 4.285 1.00 43.04 H new ATOM 1745 N VAL A 110 3.688 -4.954 4.510 1.00 24.40 N ATOM 1746 CA VAL A 110 3.930 -5.982 3.508 1.00 72.33 C ATOM 1747 C VAL A 110 3.843 -5.287 2.147 1.00 54.02 C ATOM 1748 O VAL A 110 2.933 -4.476 1.945 1.00 12.33 O ATOM 1749 CB VAL A 110 2.920 -7.132 3.681 1.00 42.34 C ATOM 1750 CG1 VAL A 110 3.088 -8.226 2.616 1.00 1.42 C ATOM 1751 CG2 VAL A 110 3.091 -7.756 5.076 1.00 5.40 C ATOM 0 H VAL A 110 2.825 -5.069 5.042 1.00 24.40 H new ATOM 0 HA VAL A 110 4.912 -6.444 3.607 1.00 72.33 H new ATOM 0 HB VAL A 110 1.922 -6.709 3.565 1.00 42.34 H new ATOM 0 HG11 VAL A 110 2.352 -9.013 2.783 1.00 1.42 H new ATOM 0 HG12 VAL A 110 2.940 -7.795 1.626 1.00 1.42 H new ATOM 0 HG13 VAL A 110 4.091 -8.647 2.682 1.00 1.42 H new ATOM 0 HG21 VAL A 110 2.377 -8.570 5.200 1.00 5.40 H new ATOM 0 HG22 VAL A 110 4.105 -8.143 5.180 1.00 5.40 H new ATOM 0 HG23 VAL A 110 2.913 -6.997 5.838 1.00 5.40 H new ATOM 1761 N VAL A 111 4.774 -5.569 1.231 1.00 4.40 N ATOM 1762 CA VAL A 111 4.762 -4.970 -0.098 1.00 74.35 C ATOM 1763 C VAL A 111 4.986 -6.024 -1.177 1.00 62.25 C ATOM 1764 O VAL A 111 5.459 -7.123 -0.892 1.00 14.44 O ATOM 1765 CB VAL A 111 5.711 -3.747 -0.205 1.00 11.12 C ATOM 1766 CG1 VAL A 111 5.604 -2.746 0.958 1.00 51.11 C ATOM 1767 CG2 VAL A 111 7.186 -4.142 -0.332 1.00 75.41 C ATOM 0 H VAL A 111 5.548 -6.213 1.391 1.00 4.40 H new ATOM 0 HA VAL A 111 3.766 -4.562 -0.273 1.00 74.35 H new ATOM 0 HB VAL A 111 5.365 -3.261 -1.117 1.00 11.12 H new ATOM 0 HG11 VAL A 111 6.303 -1.926 0.797 1.00 51.11 H new ATOM 0 HG12 VAL A 111 4.589 -2.353 1.007 1.00 51.11 H new ATOM 0 HG13 VAL A 111 5.844 -3.249 1.895 1.00 51.11 H new ATOM 0 HG21 VAL A 111 7.799 -3.243 -0.403 1.00 75.41 H new ATOM 0 HG22 VAL A 111 7.485 -4.717 0.544 1.00 75.41 H new ATOM 0 HG23 VAL A 111 7.325 -4.747 -1.228 1.00 75.41 H new ATOM 1777 N SER A 112 4.667 -5.674 -2.422 1.00 42.22 N ATOM 1778 CA SER A 112 4.662 -6.566 -3.568 1.00 2.12 C ATOM 1779 C SER A 112 5.461 -5.912 -4.696 1.00 4.01 C ATOM 1780 O SER A 112 5.483 -4.681 -4.821 1.00 13.25 O ATOM 1781 CB SER A 112 3.192 -6.838 -3.944 1.00 74.21 C ATOM 1782 OG SER A 112 2.932 -6.992 -5.327 1.00 53.11 O ATOM 0 H SER A 112 4.395 -4.721 -2.664 1.00 42.22 H new ATOM 0 HA SER A 112 5.136 -7.524 -3.355 1.00 2.12 H new ATOM 0 HB2 SER A 112 2.865 -7.741 -3.429 1.00 74.21 H new ATOM 0 HB3 SER A 112 2.582 -6.017 -3.567 1.00 74.21 H new ATOM 0 HG SER A 112 2.838 -7.944 -5.538 1.00 53.11 H new ATOM 1788 N VAL A 113 6.037 -6.748 -5.555 1.00 65.11 N ATOM 1789 CA VAL A 113 6.573 -6.424 -6.870 1.00 43.11 C ATOM 1790 C VAL A 113 6.096 -7.496 -7.848 1.00 42.44 C ATOM 1791 O VAL A 113 5.764 -8.604 -7.420 1.00 74.22 O ATOM 1792 CB VAL A 113 8.114 -6.374 -6.850 1.00 11.35 C ATOM 1793 CG1 VAL A 113 8.650 -5.065 -6.243 1.00 33.14 C ATOM 1794 CG2 VAL A 113 8.733 -7.553 -6.084 1.00 54.30 C ATOM 0 H VAL A 113 6.148 -7.737 -5.334 1.00 65.11 H new ATOM 0 HA VAL A 113 6.220 -5.439 -7.174 1.00 43.11 H new ATOM 0 HB VAL A 113 8.409 -6.434 -7.897 1.00 11.35 H new ATOM 0 HG11 VAL A 113 9.740 -5.079 -6.252 1.00 33.14 H new ATOM 0 HG12 VAL A 113 8.293 -4.219 -6.830 1.00 33.14 H new ATOM 0 HG13 VAL A 113 8.297 -4.969 -5.216 1.00 33.14 H new ATOM 0 HG21 VAL A 113 9.820 -7.468 -6.101 1.00 54.30 H new ATOM 0 HG22 VAL A 113 8.384 -7.539 -5.051 1.00 54.30 H new ATOM 0 HG23 VAL A 113 8.435 -8.490 -6.555 1.00 54.30 H new ATOM 1804 N SER A 114 6.114 -7.211 -9.158 1.00 72.11 N ATOM 1805 CA SER A 114 5.867 -8.272 -10.128 1.00 3.13 C ATOM 1806 C SER A 114 6.991 -9.321 -10.139 1.00 34.25 C ATOM 1807 O SER A 114 6.725 -10.517 -10.301 1.00 40.31 O ATOM 1808 CB SER A 114 5.661 -7.735 -11.559 1.00 74.54 C ATOM 1809 OG SER A 114 4.483 -6.958 -11.749 1.00 3.25 O ATOM 0 H SER A 114 6.291 -6.288 -9.554 1.00 72.11 H new ATOM 0 HA SER A 114 4.941 -8.747 -9.802 1.00 3.13 H new ATOM 0 HB2 SER A 114 6.525 -7.129 -11.831 1.00 74.54 H new ATOM 0 HB3 SER A 114 5.635 -8.580 -12.247 1.00 74.54 H new ATOM 0 HG SER A 114 4.435 -6.659 -12.681 1.00 3.25 H new ATOM 1815 N SER A 115 8.241 -8.882 -10.010 1.00 65.12 N ATOM 1816 CA SER A 115 9.407 -9.632 -10.457 1.00 65.25 C ATOM 1817 C SER A 115 10.084 -10.312 -9.269 1.00 13.11 C ATOM 1818 O SER A 115 10.131 -9.715 -8.195 1.00 35.34 O ATOM 1819 CB SER A 115 10.381 -8.670 -11.143 1.00 1.33 C ATOM 1820 OG SER A 115 9.721 -7.971 -12.181 1.00 70.35 O ATOM 0 H SER A 115 8.473 -7.984 -9.586 1.00 65.12 H new ATOM 0 HA SER A 115 9.098 -10.404 -11.162 1.00 65.25 H new ATOM 0 HB2 SER A 115 10.781 -7.964 -10.415 1.00 1.33 H new ATOM 0 HB3 SER A 115 11.228 -9.224 -11.548 1.00 1.33 H new ATOM 0 HG SER A 115 10.350 -7.357 -12.613 1.00 70.35 H new ATOM 1826 N PRO A 116 10.658 -11.511 -9.450 1.00 72.50 N ATOM 1827 CA PRO A 116 11.181 -12.303 -8.349 1.00 14.25 C ATOM 1828 C PRO A 116 12.402 -11.633 -7.724 1.00 61.03 C ATOM 1829 O PRO A 116 12.463 -11.469 -6.510 1.00 71.20 O ATOM 1830 CB PRO A 116 11.510 -13.665 -8.960 1.00 50.43 C ATOM 1831 CG PRO A 116 11.800 -13.356 -10.427 1.00 31.14 C ATOM 1832 CD PRO A 116 10.826 -12.216 -10.713 1.00 45.21 C ATOM 0 HA PRO A 116 10.466 -12.404 -7.533 1.00 14.25 H new ATOM 0 HB2 PRO A 116 12.370 -14.123 -8.472 1.00 50.43 H new ATOM 0 HB3 PRO A 116 10.677 -14.360 -8.856 1.00 50.43 H new ATOM 0 HG2 PRO A 116 12.836 -13.056 -10.583 1.00 31.14 H new ATOM 0 HG3 PRO A 116 11.618 -14.218 -11.069 1.00 31.14 H new ATOM 0 HD2 PRO A 116 11.218 -11.551 -11.483 1.00 45.21 H new ATOM 0 HD3 PRO A 116 9.872 -12.599 -11.077 1.00 45.21 H new ATOM 1840 N ASP A 117 13.370 -11.206 -8.541 1.00 11.25 N ATOM 1841 CA ASP A 117 14.607 -10.636 -8.011 1.00 33.14 C ATOM 1842 C ASP A 117 14.359 -9.271 -7.377 1.00 41.34 C ATOM 1843 O ASP A 117 15.056 -8.867 -6.455 1.00 72.12 O ATOM 1844 CB ASP A 117 15.653 -10.530 -9.126 1.00 2.53 C ATOM 1845 CG ASP A 117 17.088 -10.471 -8.596 1.00 1.44 C ATOM 1846 OD1 ASP A 117 17.391 -11.127 -7.574 1.00 54.13 O ATOM 1847 OD2 ASP A 117 17.965 -9.945 -9.316 1.00 74.12 O ATOM 0 H ASP A 117 13.320 -11.244 -9.559 1.00 11.25 H new ATOM 0 HA ASP A 117 14.984 -11.299 -7.232 1.00 33.14 H new ATOM 0 HB2 ASP A 117 15.553 -11.386 -9.793 1.00 2.53 H new ATOM 0 HB3 ASP A 117 15.454 -9.638 -9.720 1.00 2.53 H new ATOM 1852 N ALA A 118 13.305 -8.570 -7.802 1.00 14.03 N ATOM 1853 CA ALA A 118 13.007 -7.251 -7.266 1.00 4.53 C ATOM 1854 C ALA A 118 12.630 -7.337 -5.782 1.00 64.24 C ATOM 1855 O ALA A 118 12.799 -6.348 -5.076 1.00 14.14 O ATOM 1856 CB ALA A 118 11.921 -6.571 -8.104 1.00 74.14 C ATOM 0 H ALA A 118 12.650 -8.897 -8.512 1.00 14.03 H new ATOM 0 HA ALA A 118 13.902 -6.632 -7.328 1.00 4.53 H new ATOM 0 HB1 ALA A 118 11.708 -5.585 -7.692 1.00 74.14 H new ATOM 0 HB2 ALA A 118 12.267 -6.467 -9.133 1.00 74.14 H new ATOM 0 HB3 ALA A 118 11.015 -7.176 -8.085 1.00 74.14 H new ATOM 1862 N VAL A 119 12.177 -8.505 -5.304 1.00 44.44 N ATOM 1863 CA VAL A 119 11.886 -8.767 -3.902 1.00 50.34 C ATOM 1864 C VAL A 119 13.174 -8.550 -3.093 1.00 42.21 C ATOM 1865 O VAL A 119 13.176 -7.740 -2.163 1.00 42.41 O ATOM 1866 CB VAL A 119 11.278 -10.184 -3.745 1.00 34.34 C ATOM 1867 CG1 VAL A 119 10.803 -10.484 -2.311 1.00 44.55 C ATOM 1868 CG2 VAL A 119 10.046 -10.403 -4.636 1.00 71.03 C ATOM 0 H VAL A 119 12.001 -9.310 -5.905 1.00 44.44 H new ATOM 0 HA VAL A 119 11.136 -8.078 -3.513 1.00 50.34 H new ATOM 0 HB VAL A 119 12.098 -10.843 -4.030 1.00 34.34 H new ATOM 0 HG11 VAL A 119 10.388 -11.491 -2.268 1.00 44.55 H new ATOM 0 HG12 VAL A 119 11.647 -10.410 -1.625 1.00 44.55 H new ATOM 0 HG13 VAL A 119 10.037 -9.764 -2.023 1.00 44.55 H new ATOM 0 HG21 VAL A 119 9.662 -11.412 -4.485 1.00 71.03 H new ATOM 0 HG22 VAL A 119 9.275 -9.678 -4.375 1.00 71.03 H new ATOM 0 HG23 VAL A 119 10.326 -10.274 -5.682 1.00 71.03 H new ATOM 1878 N THR A 120 14.284 -9.209 -3.460 1.00 53.50 N ATOM 1879 CA THR A 120 15.529 -9.080 -2.703 1.00 52.40 C ATOM 1880 C THR A 120 16.085 -7.696 -2.899 1.00 43.21 C ATOM 1881 O THR A 120 16.585 -7.088 -1.953 1.00 22.35 O ATOM 1882 CB THR A 120 16.549 -10.136 -3.074 1.00 45.24 C ATOM 1883 OG1 THR A 120 17.573 -10.274 -2.109 1.00 62.02 O ATOM 1884 CG2 THR A 120 17.273 -10.031 -4.391 1.00 40.11 C ATOM 0 H THR A 120 14.341 -9.829 -4.268 1.00 53.50 H new ATOM 0 HA THR A 120 15.302 -9.239 -1.649 1.00 52.40 H new ATOM 0 HB THR A 120 15.873 -10.988 -3.142 1.00 45.24 H new ATOM 0 HG1 THR A 120 18.109 -11.069 -2.312 1.00 62.02 H new ATOM 0 HG21 THR A 120 17.964 -10.867 -4.494 1.00 40.11 H new ATOM 0 HG22 THR A 120 16.550 -10.055 -5.207 1.00 40.11 H new ATOM 0 HG23 THR A 120 17.829 -9.094 -4.427 1.00 40.11 H new ATOM 1892 N THR A 121 16.041 -7.246 -4.150 1.00 74.33 N ATOM 1893 CA THR A 121 16.799 -6.072 -4.505 1.00 2.32 C ATOM 1894 C THR A 121 16.253 -4.871 -3.718 1.00 61.20 C ATOM 1895 O THR A 121 17.026 -4.123 -3.114 1.00 2.11 O ATOM 1896 CB THR A 121 16.768 -5.815 -6.023 1.00 42.55 C ATOM 1897 OG1 THR A 121 17.216 -6.935 -6.743 1.00 62.43 O ATOM 1898 CG2 THR A 121 17.618 -4.614 -6.452 1.00 15.12 C ATOM 0 H THR A 121 15.503 -7.668 -4.907 1.00 74.33 H new ATOM 0 HA THR A 121 17.845 -6.228 -4.241 1.00 2.32 H new ATOM 0 HB THR A 121 15.723 -5.604 -6.249 1.00 42.55 H new ATOM 0 HG1 THR A 121 16.535 -7.639 -6.711 1.00 62.43 H new ATOM 0 HG21 THR A 121 17.552 -4.489 -7.533 1.00 15.12 H new ATOM 0 HG22 THR A 121 17.251 -3.714 -5.959 1.00 15.12 H new ATOM 0 HG23 THR A 121 18.657 -4.784 -6.169 1.00 15.12 H new ATOM 1906 N TYR A 122 14.919 -4.737 -3.695 1.00 15.24 N ATOM 1907 CA TYR A 122 14.185 -3.769 -2.895 1.00 43.54 C ATOM 1908 C TYR A 122 14.517 -3.963 -1.413 1.00 70.34 C ATOM 1909 O TYR A 122 14.896 -2.995 -0.754 1.00 23.21 O ATOM 1910 CB TYR A 122 12.679 -3.908 -3.176 1.00 62.52 C ATOM 1911 CG TYR A 122 11.795 -2.949 -2.406 1.00 13.13 C ATOM 1912 CD1 TYR A 122 11.389 -3.272 -1.101 1.00 21.03 C ATOM 1913 CD2 TYR A 122 11.372 -1.738 -2.983 1.00 0.01 C ATOM 1914 CE1 TYR A 122 10.593 -2.384 -0.363 1.00 43.23 C ATOM 1915 CE2 TYR A 122 10.601 -0.827 -2.243 1.00 31.20 C ATOM 1916 CZ TYR A 122 10.214 -1.147 -0.923 1.00 43.25 C ATOM 1917 OH TYR A 122 9.485 -0.268 -0.186 1.00 64.20 O ATOM 0 H TYR A 122 14.306 -5.327 -4.258 1.00 15.24 H new ATOM 0 HA TYR A 122 14.481 -2.755 -3.165 1.00 43.54 H new ATOM 0 HB2 TYR A 122 12.508 -3.760 -4.242 1.00 62.52 H new ATOM 0 HB3 TYR A 122 12.373 -4.928 -2.943 1.00 62.52 H new ATOM 0 HD1 TYR A 122 11.692 -4.211 -0.662 1.00 21.03 H new ATOM 0 HD2 TYR A 122 11.642 -1.507 -4.003 1.00 0.01 H new ATOM 0 HE1 TYR A 122 10.271 -2.648 0.633 1.00 43.23 H new ATOM 0 HE2 TYR A 122 10.305 0.115 -2.682 1.00 31.20 H new ATOM 0 HH TYR A 122 9.665 0.645 -0.493 1.00 64.20 H new ATOM 1927 N ASN A 123 14.414 -5.201 -0.896 1.00 42.15 N ATOM 1928 CA ASN A 123 14.706 -5.522 0.507 1.00 74.34 C ATOM 1929 C ASN A 123 16.095 -5.038 0.924 1.00 34.30 C ATOM 1930 O ASN A 123 16.267 -4.642 2.075 1.00 73.53 O ATOM 1931 CB ASN A 123 14.587 -7.037 0.809 1.00 12.14 C ATOM 1932 CG ASN A 123 13.263 -7.460 1.433 1.00 2.55 C ATOM 1933 OD1 ASN A 123 12.539 -6.651 2.013 1.00 4.02 O ATOM 1934 ND2 ASN A 123 12.900 -8.726 1.342 1.00 23.35 N ATOM 0 H ASN A 123 14.124 -6.009 -1.446 1.00 42.15 H new ATOM 0 HA ASN A 123 13.951 -4.994 1.089 1.00 74.34 H new ATOM 0 HB2 ASN A 123 14.729 -7.591 -0.119 1.00 12.14 H new ATOM 0 HB3 ASN A 123 15.397 -7.325 1.479 1.00 12.14 H new ATOM 0 HD21 ASN A 123 12.019 -9.035 1.753 1.00 23.35 H new ATOM 0 HD22 ASN A 123 13.501 -9.395 0.861 1.00 23.35 H new ATOM 1941 N GLY A 124 17.080 -5.027 0.024 1.00 23.44 N ATOM 1942 CA GLY A 124 18.412 -4.512 0.313 1.00 53.01 C ATOM 1943 C GLY A 124 18.356 -3.070 0.810 1.00 71.32 C ATOM 1944 O GLY A 124 18.868 -2.772 1.888 1.00 35.13 O ATOM 0 H GLY A 124 16.972 -5.377 -0.928 1.00 23.44 H new ATOM 0 HA2 GLY A 124 18.891 -5.139 1.065 1.00 53.01 H new ATOM 0 HA3 GLY A 124 19.027 -4.565 -0.585 1.00 53.01 H new ATOM 1948 N TYR A 125 17.686 -2.182 0.075 1.00 53.34 N ATOM 1949 CA TYR A 125 17.680 -0.743 0.342 1.00 75.34 C ATOM 1950 C TYR A 125 17.002 -0.339 1.660 1.00 45.43 C ATOM 1951 O TYR A 125 17.122 0.818 2.080 1.00 20.24 O ATOM 1952 CB TYR A 125 17.005 -0.023 -0.829 1.00 34.21 C ATOM 1953 CG TYR A 125 17.684 -0.218 -2.169 1.00 74.12 C ATOM 1954 CD1 TYR A 125 19.057 0.055 -2.319 1.00 12.21 C ATOM 1955 CD2 TYR A 125 16.949 -0.722 -3.263 1.00 33.01 C ATOM 1956 CE1 TYR A 125 19.704 -0.244 -3.527 1.00 63.02 C ATOM 1957 CE2 TYR A 125 17.586 -0.972 -4.489 1.00 1.24 C ATOM 1958 CZ TYR A 125 18.976 -0.774 -4.613 1.00 11.11 C ATOM 1959 OH TYR A 125 19.607 -1.121 -5.766 1.00 61.11 O ATOM 0 H TYR A 125 17.124 -2.446 -0.734 1.00 53.34 H new ATOM 0 HA TYR A 125 18.723 -0.446 0.448 1.00 75.34 H new ATOM 0 HB2 TYR A 125 15.974 -0.370 -0.905 1.00 34.21 H new ATOM 0 HB3 TYR A 125 16.967 1.044 -0.608 1.00 34.21 H new ATOM 0 HD1 TYR A 125 19.612 0.495 -1.504 1.00 12.21 H new ATOM 0 HD2 TYR A 125 15.892 -0.916 -3.157 1.00 33.01 H new ATOM 0 HE1 TYR A 125 20.765 -0.068 -3.626 1.00 63.02 H new ATOM 0 HE2 TYR A 125 17.011 -1.316 -5.336 1.00 1.24 H new ATOM 0 HH TYR A 125 18.951 -1.469 -6.406 1.00 61.11 H new ATOM 1969 N LEU A 126 16.315 -1.264 2.337 1.00 74.23 N ATOM 1970 CA LEU A 126 15.838 -1.096 3.712 1.00 5.24 C ATOM 1971 C LEU A 126 17.002 -0.957 4.705 1.00 51.43 C ATOM 1972 O LEU A 126 16.765 -0.561 5.848 1.00 22.03 O ATOM 1973 CB LEU A 126 14.975 -2.296 4.143 1.00 43.42 C ATOM 1974 CG LEU A 126 13.526 -2.359 3.627 1.00 62.24 C ATOM 1975 CD1 LEU A 126 12.634 -1.393 4.407 1.00 43.53 C ATOM 1976 CD2 LEU A 126 13.344 -2.110 2.136 1.00 12.34 C ATOM 0 H LEU A 126 16.070 -2.169 1.936 1.00 74.23 H new ATOM 0 HA LEU A 126 15.244 -0.182 3.726 1.00 5.24 H new ATOM 0 HB2 LEU A 126 15.484 -3.206 3.825 1.00 43.42 H new ATOM 0 HB3 LEU A 126 14.944 -2.312 5.232 1.00 43.42 H new ATOM 0 HG LEU A 126 13.231 -3.395 3.793 1.00 62.24 H new ATOM 0 HD11 LEU A 126 11.614 -1.452 4.027 1.00 43.53 H new ATOM 0 HD12 LEU A 126 12.644 -1.661 5.464 1.00 43.53 H new ATOM 0 HD13 LEU A 126 13.007 -0.376 4.287 1.00 43.53 H new ATOM 0 HD21 LEU A 126 12.286 -2.178 1.882 1.00 12.34 H new ATOM 0 HD22 LEU A 126 13.714 -1.116 1.885 1.00 12.34 H new ATOM 0 HD23 LEU A 126 13.901 -2.858 1.572 1.00 12.34 H new ATOM 1988 N THR A 127 18.235 -1.288 4.317 1.00 34.24 N ATOM 1989 CA THR A 127 19.426 -1.154 5.146 1.00 35.44 C ATOM 1990 C THR A 127 20.614 -0.733 4.281 1.00 22.23 C ATOM 1991 O THR A 127 21.242 0.300 4.529 1.00 24.20 O ATOM 1992 CB THR A 127 19.710 -2.479 5.883 1.00 20.25 C ATOM 1993 OG1 THR A 127 19.756 -3.589 5.001 1.00 3.44 O ATOM 1994 CG2 THR A 127 18.674 -2.777 6.959 1.00 13.54 C ATOM 0 H THR A 127 18.434 -1.667 3.391 1.00 34.24 H new ATOM 0 HA THR A 127 19.261 -0.382 5.897 1.00 35.44 H new ATOM 0 HB THR A 127 20.687 -2.339 6.345 1.00 20.25 H new ATOM 0 HG1 THR A 127 19.940 -4.405 5.512 1.00 3.44 H new ATOM 0 HG21 THR A 127 18.918 -3.720 7.448 1.00 13.54 H new ATOM 0 HG22 THR A 127 18.674 -1.975 7.697 1.00 13.54 H new ATOM 0 HG23 THR A 127 17.687 -2.850 6.503 1.00 13.54 H new ATOM 2002 N SER A 128 20.941 -1.552 3.288 1.00 70.15 N ATOM 2003 CA SER A 128 22.084 -1.397 2.423 1.00 42.01 C ATOM 2004 C SER A 128 21.927 -0.182 1.511 1.00 2.01 C ATOM 2005 O SER A 128 20.876 0.469 1.469 1.00 32.22 O ATOM 2006 CB SER A 128 22.264 -2.691 1.618 1.00 61.43 C ATOM 2007 OG SER A 128 23.326 -3.440 2.175 1.00 43.32 O ATOM 0 H SER A 128 20.385 -2.377 3.061 1.00 70.15 H new ATOM 0 HA SER A 128 22.977 -1.219 3.022 1.00 42.01 H new ATOM 0 HB2 SER A 128 21.344 -3.275 1.634 1.00 61.43 H new ATOM 0 HB3 SER A 128 22.475 -2.458 0.574 1.00 61.43 H new ATOM 0 HG SER A 128 23.444 -4.269 1.665 1.00 43.32 H new ATOM 2013 N SER A 129 22.992 0.128 0.779 1.00 3.44 N ATOM 2014 CA SER A 129 22.996 1.127 -0.272 1.00 13.14 C ATOM 2015 C SER A 129 23.098 0.444 -1.626 1.00 30.52 C ATOM 2016 O SER A 129 22.913 -0.796 -1.685 1.00 1.44 O ATOM 2017 CB SER A 129 24.083 2.164 0.027 1.00 13.32 C ATOM 2018 OG SER A 129 25.325 1.575 0.379 1.00 3.14 O ATOM 0 H SER A 129 23.898 -0.323 0.907 1.00 3.44 H new ATOM 0 HA SER A 129 22.060 1.685 -0.307 1.00 13.14 H new ATOM 0 HB2 SER A 129 24.223 2.799 -0.848 1.00 13.32 H new ATOM 0 HB3 SER A 129 23.749 2.809 0.840 1.00 13.32 H new ATOM 0 HG SER A 129 25.982 2.280 0.558 1.00 3.14 H new TER 2024 SER A 129