USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 979 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 THR OG1 : rot 148:sc= 1.21 USER MOD Set 1.2: A 123 ASN : amide:sc= 0.882 K(o=2.1,f=-3.5!) USER MOD Set 2.1: A 63 SER OG : rot 58:sc= 1.17 USER MOD Set 2.2: A 90 THR OG1 : rot -160:sc= 1.05 USER MOD Set 3.1: A 61 TYR OH : rot 180:sc= 0.155 USER MOD Set 3.2: A 73 LYS NZ :NH3+ -108:sc= 0.193 (180deg=0) USER MOD Set 4.1: A 17 HIS : no HE2:sc= -0.808! C(o=1.7!,f=-6.3!) USER MOD Set 4.2: A 21 THR OG1 : rot -83:sc= 1.26 USER MOD Set 4.3: A 23 LYS NZ :NH3+ -152:sc= 1.29 (180deg=0) USER MOD Set 5.1: A 14 MET CE :methyl -143:sc= -0.0456 (180deg=-1.47) USER MOD Set 5.2: A 83 THR OG1 : rot 125:sc= 1.34 USER MOD Set 5.3: A 84 MET CE :methyl -175:sc= -0.228 (180deg=-0.255) USER MOD Single : A 8 SER OG : rot 49:sc= 0.199 USER MOD Single : A 10 ASN : amide:sc= 0.424 K(o=0.42,f=-4.2!) USER MOD Single : A 25 MET CE :methyl 172:sc= 0 (180deg=-0.0216) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0795 USER MOD Single : A 29 MET CE :methyl -173:sc= -0.196 (180deg=-0.249) USER MOD Single : A 35 MET CE :methyl -151:sc= -0.185 (180deg=-2.29) USER MOD Single : A 37 THR OG1 : rot -160:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.35 K(o=-1.3,f=-0.047) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 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= -0.0382 K(o=-0.038,f=-1.6) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 118:sc= 1.32 USER MOD Single : A 64 LYS NZ :NH3+ -119:sc= 0.288 (180deg=-0.493!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.331 K(o=0.33,f=-8.4!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.634 K(o=-0.63,f=-2) USER MOD Single : A 94 ASN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 101 CYS SG : rot 179:sc= 0.605 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.012) USER MOD Single : A 112 SER OG : rot -21:sc= 1.18 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 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 82:sc= 0.154 USER MOD Single : A 122 TYR OH : rot 158:sc= 1.03 USER MOD Single : A 125 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 53 N GLY A 5 7.338 -8.767 5.510 1.00 42.53 N ATOM 54 CA GLY A 5 8.484 -8.264 4.786 1.00 11.25 C ATOM 55 C GLY A 5 8.122 -7.940 3.339 1.00 23.13 C ATOM 56 O GLY A 5 6.955 -7.879 2.949 1.00 55.04 O ATOM 0 HA2 GLY A 5 8.864 -7.369 5.278 1.00 11.25 H new ATOM 0 HA3 GLY A 5 9.284 -9.004 4.807 1.00 11.25 H new ATOM 60 N THR A 6 9.154 -7.705 2.546 1.00 73.53 N ATOM 61 CA THR A 6 9.109 -7.576 1.098 1.00 54.32 C ATOM 62 C THR A 6 8.785 -8.964 0.509 1.00 11.11 C ATOM 63 O THR A 6 9.343 -9.960 0.980 1.00 51.33 O ATOM 64 CB THR A 6 10.506 -7.060 0.702 1.00 40.03 C ATOM 65 OG1 THR A 6 10.870 -5.992 1.562 1.00 22.12 O ATOM 66 CG2 THR A 6 10.654 -6.530 -0.713 1.00 12.33 C ATOM 0 H THR A 6 10.098 -7.593 2.915 1.00 73.53 H new ATOM 0 HA THR A 6 8.347 -6.891 0.725 1.00 54.32 H new ATOM 0 HB THR A 6 11.141 -7.942 0.781 1.00 40.03 H new ATOM 0 HG1 THR A 6 11.841 -5.997 1.697 1.00 22.12 H new ATOM 0 HG21 THR A 6 11.680 -6.197 -0.871 1.00 12.33 H new ATOM 0 HG22 THR A 6 10.415 -7.321 -1.424 1.00 12.33 H new ATOM 0 HG23 THR A 6 9.973 -5.691 -0.860 1.00 12.33 H new ATOM 74 N VAL A 7 7.889 -9.055 -0.482 1.00 64.50 N ATOM 75 CA VAL A 7 7.514 -10.279 -1.206 1.00 4.31 C ATOM 76 C VAL A 7 7.200 -9.972 -2.684 1.00 70.21 C ATOM 77 O VAL A 7 7.289 -8.815 -3.099 1.00 64.43 O ATOM 78 CB VAL A 7 6.312 -10.968 -0.535 1.00 73.30 C ATOM 79 CG1 VAL A 7 6.596 -11.449 0.889 1.00 1.15 C ATOM 80 CG2 VAL A 7 5.050 -10.088 -0.496 1.00 44.41 C ATOM 0 H VAL A 7 7.380 -8.237 -0.818 1.00 64.50 H new ATOM 0 HA VAL A 7 8.365 -10.960 -1.171 1.00 4.31 H new ATOM 0 HB VAL A 7 6.132 -11.833 -1.174 1.00 73.30 H new ATOM 0 HG11 VAL A 7 5.704 -11.924 1.297 1.00 1.15 H new ATOM 0 HG12 VAL A 7 7.415 -12.168 0.874 1.00 1.15 H new ATOM 0 HG13 VAL A 7 6.872 -10.598 1.512 1.00 1.15 H new ATOM 0 HG21 VAL A 7 4.241 -10.634 -0.010 1.00 44.41 H new ATOM 0 HG22 VAL A 7 5.259 -9.176 0.063 1.00 44.41 H new ATOM 0 HG23 VAL A 7 4.755 -9.830 -1.513 1.00 44.41 H new ATOM 90 N SER A 8 6.797 -10.975 -3.476 1.00 14.41 N ATOM 91 CA SER A 8 6.317 -10.818 -4.849 1.00 32.13 C ATOM 92 C SER A 8 4.921 -11.430 -4.939 1.00 5.14 C ATOM 93 O SER A 8 4.756 -12.648 -5.097 1.00 12.51 O ATOM 94 CB SER A 8 7.297 -11.441 -5.846 1.00 34.11 C ATOM 95 OG SER A 8 7.635 -12.764 -5.470 1.00 34.00 O ATOM 0 H SER A 8 6.797 -11.947 -3.166 1.00 14.41 H new ATOM 0 HA SER A 8 6.255 -9.762 -5.112 1.00 32.13 H new ATOM 0 HB2 SER A 8 6.854 -11.445 -6.842 1.00 34.11 H new ATOM 0 HB3 SER A 8 8.200 -10.833 -5.901 1.00 34.11 H new ATOM 0 HG SER A 8 6.817 -13.268 -5.275 1.00 34.00 H new ATOM 101 N TRP A 9 3.915 -10.598 -4.730 1.00 52.25 N ATOM 102 CA TRP A 9 2.501 -10.890 -4.864 1.00 74.13 C ATOM 103 C TRP A 9 1.983 -10.135 -6.086 1.00 14.22 C ATOM 104 O TRP A 9 2.736 -9.482 -6.818 1.00 55.32 O ATOM 105 CB TRP A 9 1.789 -10.493 -3.550 1.00 53.32 C ATOM 106 CG TRP A 9 2.030 -11.391 -2.374 1.00 72.12 C ATOM 107 CD1 TRP A 9 2.674 -12.578 -2.406 1.00 41.43 C ATOM 108 CD2 TRP A 9 1.619 -11.207 -0.986 1.00 42.13 C ATOM 109 NE1 TRP A 9 2.718 -13.132 -1.146 1.00 44.24 N ATOM 110 CE2 TRP A 9 2.067 -12.333 -0.232 1.00 21.12 C ATOM 111 CE3 TRP A 9 0.918 -10.203 -0.284 1.00 22.25 C ATOM 112 CZ2 TRP A 9 1.833 -12.453 1.143 1.00 1.25 C ATOM 113 CZ3 TRP A 9 0.680 -10.311 1.098 1.00 24.32 C ATOM 114 CH2 TRP A 9 1.140 -11.431 1.811 1.00 52.35 C ATOM 0 H TRP A 9 4.078 -9.633 -4.442 1.00 52.25 H new ATOM 0 HA TRP A 9 2.306 -11.951 -5.022 1.00 74.13 H new ATOM 0 HB2 TRP A 9 2.102 -9.484 -3.281 1.00 53.32 H new ATOM 0 HB3 TRP A 9 0.716 -10.455 -3.739 1.00 53.32 H new ATOM 0 HD1 TRP A 9 3.094 -13.028 -3.293 1.00 41.43 H new ATOM 0 HE1 TRP A 9 3.172 -14.017 -0.920 1.00 44.24 H new ATOM 0 HE3 TRP A 9 0.558 -9.336 -0.818 1.00 22.25 H new ATOM 0 HZ2 TRP A 9 2.181 -13.321 1.683 1.00 1.25 H new ATOM 0 HZ3 TRP A 9 0.141 -9.530 1.613 1.00 24.32 H new ATOM 0 HH2 TRP A 9 0.960 -11.506 2.873 1.00 52.35 H new ATOM 125 N ASN A 10 0.681 -10.242 -6.323 1.00 34.43 N ATOM 126 CA ASN A 10 -0.019 -9.302 -7.188 1.00 40.11 C ATOM 127 C ASN A 10 -1.219 -8.778 -6.422 1.00 3.12 C ATOM 128 O ASN A 10 -1.528 -9.293 -5.345 1.00 63.31 O ATOM 129 CB ASN A 10 -0.388 -9.935 -8.536 1.00 73.32 C ATOM 130 CG ASN A 10 -1.576 -10.874 -8.471 1.00 24.21 C ATOM 131 OD1 ASN A 10 -2.717 -10.428 -8.484 1.00 10.43 O ATOM 132 ND2 ASN A 10 -1.343 -12.170 -8.430 1.00 53.44 N ATOM 0 H ASN A 10 0.088 -10.972 -5.927 1.00 34.43 H new ATOM 0 HA ASN A 10 0.629 -8.464 -7.447 1.00 40.11 H new ATOM 0 HB2 ASN A 10 -0.604 -9.142 -9.252 1.00 73.32 H new ATOM 0 HB3 ASN A 10 0.474 -10.482 -8.917 1.00 73.32 H new ATOM 0 HD21 ASN A 10 -2.122 -12.828 -8.408 1.00 53.44 H new ATOM 0 HD22 ASN A 10 -0.383 -12.516 -8.420 1.00 53.44 H new ATOM 139 N LEU A 11 -1.899 -7.774 -6.974 1.00 30.41 N ATOM 140 CA LEU A 11 -3.040 -7.122 -6.346 1.00 40.52 C ATOM 141 C LEU A 11 -4.024 -8.123 -5.762 1.00 21.11 C ATOM 142 O LEU A 11 -4.509 -7.912 -4.657 1.00 54.43 O ATOM 143 CB LEU A 11 -3.725 -6.238 -7.391 1.00 12.44 C ATOM 144 CG LEU A 11 -5.125 -5.730 -6.997 1.00 75.54 C ATOM 145 CD1 LEU A 11 -5.163 -4.853 -5.743 1.00 25.03 C ATOM 146 CD2 LEU A 11 -5.651 -4.959 -8.200 1.00 72.55 C ATOM 0 H LEU A 11 -1.665 -7.386 -7.888 1.00 30.41 H new ATOM 0 HA LEU A 11 -2.684 -6.518 -5.512 1.00 40.52 H new ATOM 0 HB2 LEU A 11 -3.086 -5.378 -7.592 1.00 12.44 H new ATOM 0 HB3 LEU A 11 -3.807 -6.799 -8.322 1.00 12.44 H new ATOM 0 HG LEU A 11 -5.743 -6.590 -6.737 1.00 75.54 H new ATOM 0 HD11 LEU A 11 -6.190 -4.544 -5.546 1.00 25.03 H new ATOM 0 HD12 LEU A 11 -4.784 -5.419 -4.892 1.00 25.03 H new ATOM 0 HD13 LEU A 11 -4.542 -3.971 -5.897 1.00 25.03 H new ATOM 0 HD21 LEU A 11 -6.646 -4.573 -7.978 1.00 72.55 H new ATOM 0 HD22 LEU A 11 -4.981 -4.128 -8.421 1.00 72.55 H new ATOM 0 HD23 LEU A 11 -5.703 -5.623 -9.063 1.00 72.55 H new ATOM 158 N ARG A 12 -4.342 -9.197 -6.480 1.00 51.44 N ATOM 159 CA ARG A 12 -5.362 -10.121 -6.027 1.00 64.01 C ATOM 160 C ARG A 12 -4.893 -10.900 -4.802 1.00 63.12 C ATOM 161 O ARG A 12 -5.665 -11.055 -3.855 1.00 71.43 O ATOM 162 CB ARG A 12 -5.696 -11.048 -7.191 1.00 52.11 C ATOM 163 CG ARG A 12 -7.205 -11.249 -7.301 1.00 34.41 C ATOM 164 CD ARG A 12 -7.464 -12.203 -8.456 1.00 25.55 C ATOM 165 NE ARG A 12 -6.988 -13.553 -8.119 1.00 13.14 N ATOM 166 CZ ARG A 12 -6.563 -14.472 -8.979 1.00 33.11 C ATOM 167 NH1 ARG A 12 -6.667 -14.266 -10.284 1.00 45.40 N ATOM 168 NH2 ARG A 12 -6.015 -15.588 -8.516 1.00 75.51 N ATOM 0 H ARG A 12 -3.909 -9.442 -7.370 1.00 51.44 H new ATOM 0 HA ARG A 12 -6.256 -9.579 -5.719 1.00 64.01 H new ATOM 0 HB2 ARG A 12 -5.311 -10.628 -8.120 1.00 52.11 H new ATOM 0 HB3 ARG A 12 -5.205 -12.011 -7.049 1.00 52.11 H new ATOM 0 HG2 ARG A 12 -7.605 -11.656 -6.372 1.00 34.41 H new ATOM 0 HG3 ARG A 12 -7.706 -10.296 -7.473 1.00 34.41 H new ATOM 0 HD2 ARG A 12 -8.530 -12.232 -8.681 1.00 25.55 H new ATOM 0 HD3 ARG A 12 -6.958 -11.845 -9.353 1.00 25.55 H new ATOM 0 HE ARG A 12 -6.984 -13.808 -7.131 1.00 13.14 H new ATOM 0 HH11 ARG A 12 -7.075 -13.398 -10.632 1.00 45.40 H new ATOM 0 HH12 ARG A 12 -6.339 -14.975 -10.940 1.00 45.40 H new ATOM 0 HH21 ARG A 12 -5.924 -15.732 -7.510 1.00 75.51 H new ATOM 0 HH22 ARG A 12 -5.685 -16.302 -9.166 1.00 75.51 H new ATOM 182 N GLU A 13 -3.630 -11.338 -4.817 1.00 1.12 N ATOM 183 CA GLU A 13 -2.982 -12.017 -3.701 1.00 42.14 C ATOM 184 C GLU A 13 -2.920 -11.100 -2.478 1.00 32.31 C ATOM 185 O GLU A 13 -3.036 -11.581 -1.349 1.00 24.24 O ATOM 186 CB GLU A 13 -1.562 -12.473 -4.081 1.00 24.24 C ATOM 187 CG GLU A 13 -1.507 -13.505 -5.211 1.00 74.44 C ATOM 188 CD GLU A 13 -2.260 -14.797 -4.904 1.00 0.05 C ATOM 189 OE1 GLU A 13 -1.966 -15.448 -3.877 1.00 53.24 O ATOM 190 OE2 GLU A 13 -3.196 -15.125 -5.669 1.00 71.13 O ATOM 0 H GLU A 13 -3.020 -11.225 -5.626 1.00 1.12 H new ATOM 0 HA GLU A 13 -3.576 -12.898 -3.457 1.00 42.14 H new ATOM 0 HB2 GLU A 13 -0.980 -11.599 -4.375 1.00 24.24 H new ATOM 0 HB3 GLU A 13 -1.081 -12.894 -3.198 1.00 24.24 H new ATOM 0 HG2 GLU A 13 -1.921 -13.061 -6.116 1.00 74.44 H new ATOM 0 HG3 GLU A 13 -0.465 -13.744 -5.421 1.00 74.44 H new ATOM 197 N MET A 14 -2.717 -9.799 -2.704 1.00 45.20 N ATOM 198 CA MET A 14 -2.618 -8.784 -1.667 1.00 23.12 C ATOM 199 C MET A 14 -3.989 -8.503 -1.060 1.00 43.13 C ATOM 200 O MET A 14 -4.128 -8.604 0.154 1.00 22.52 O ATOM 201 CB MET A 14 -2.017 -7.489 -2.227 1.00 40.52 C ATOM 202 CG MET A 14 -0.605 -7.664 -2.787 1.00 73.14 C ATOM 203 SD MET A 14 0.642 -6.693 -1.914 1.00 42.14 S ATOM 204 CE MET A 14 0.283 -5.066 -2.613 1.00 23.03 C ATOM 0 H MET A 14 -2.615 -9.418 -3.645 1.00 45.20 H new ATOM 0 HA MET A 14 -1.958 -9.163 -0.887 1.00 23.12 H new ATOM 0 HB2 MET A 14 -2.667 -7.107 -3.014 1.00 40.52 H new ATOM 0 HB3 MET A 14 -1.996 -6.737 -1.438 1.00 40.52 H new ATOM 0 HG2 MET A 14 -0.332 -8.718 -2.739 1.00 73.14 H new ATOM 0 HG3 MET A 14 -0.603 -7.381 -3.840 1.00 73.14 H new ATOM 0 HE1 MET A 14 1.214 -4.518 -2.757 1.00 23.03 H new ATOM 0 HE2 MET A 14 -0.220 -5.185 -3.573 1.00 23.03 H new ATOM 0 HE3 MET A 14 -0.362 -4.512 -1.932 1.00 23.03 H new ATOM 214 N LEU A 15 -4.980 -8.168 -1.895 1.00 22.03 N ATOM 215 CA LEU A 15 -6.345 -7.827 -1.501 1.00 43.22 C ATOM 216 C LEU A 15 -6.920 -8.960 -0.654 1.00 74.34 C ATOM 217 O LEU A 15 -7.433 -8.709 0.434 1.00 22.23 O ATOM 218 CB LEU A 15 -7.193 -7.557 -2.765 1.00 22.33 C ATOM 219 CG LEU A 15 -8.581 -6.928 -2.486 1.00 43.34 C ATOM 220 CD1 LEU A 15 -8.596 -5.440 -2.867 1.00 3.21 C ATOM 221 CD2 LEU A 15 -9.695 -7.600 -3.301 1.00 1.14 C ATOM 0 H LEU A 15 -4.843 -8.127 -2.905 1.00 22.03 H new ATOM 0 HA LEU A 15 -6.355 -6.919 -0.897 1.00 43.22 H new ATOM 0 HB2 LEU A 15 -6.635 -6.895 -3.427 1.00 22.33 H new ATOM 0 HB3 LEU A 15 -7.335 -8.496 -3.299 1.00 22.33 H new ATOM 0 HG LEU A 15 -8.759 -7.067 -1.420 1.00 43.34 H new ATOM 0 HD11 LEU A 15 -9.581 -5.022 -2.662 1.00 3.21 H new ATOM 0 HD12 LEU A 15 -7.846 -4.907 -2.282 1.00 3.21 H new ATOM 0 HD13 LEU A 15 -8.371 -5.334 -3.928 1.00 3.21 H new ATOM 0 HD21 LEU A 15 -10.650 -7.126 -3.072 1.00 1.14 H new ATOM 0 HD22 LEU A 15 -9.482 -7.494 -4.365 1.00 1.14 H new ATOM 0 HD23 LEU A 15 -9.745 -8.658 -3.045 1.00 1.14 H new ATOM 233 N ALA A 16 -6.776 -10.203 -1.129 1.00 45.14 N ATOM 234 CA ALA A 16 -7.251 -11.386 -0.433 1.00 54.32 C ATOM 235 C ALA A 16 -6.562 -11.552 0.922 1.00 42.14 C ATOM 236 O ALA A 16 -7.229 -11.826 1.919 1.00 14.53 O ATOM 237 CB ALA A 16 -7.005 -12.626 -1.297 1.00 35.02 C ATOM 0 H ALA A 16 -6.320 -10.409 -2.018 1.00 45.14 H new ATOM 0 HA ALA A 16 -8.320 -11.268 -0.254 1.00 54.32 H new ATOM 0 HB1 ALA A 16 -7.362 -13.512 -0.772 1.00 35.02 H new ATOM 0 HB2 ALA A 16 -7.540 -12.523 -2.241 1.00 35.02 H new ATOM 0 HB3 ALA A 16 -5.938 -12.727 -1.493 1.00 35.02 H new ATOM 243 N HIS A 17 -5.231 -11.435 0.962 1.00 14.32 N ATOM 244 CA HIS A 17 -4.466 -11.600 2.191 1.00 71.24 C ATOM 245 C HIS A 17 -4.848 -10.540 3.220 1.00 72.35 C ATOM 246 O HIS A 17 -4.984 -10.835 4.409 1.00 71.11 O ATOM 247 CB HIS A 17 -2.969 -11.500 1.885 1.00 34.15 C ATOM 248 CG HIS A 17 -2.137 -11.592 3.131 1.00 11.34 C ATOM 249 ND1 HIS A 17 -1.875 -12.751 3.818 1.00 14.24 N ATOM 250 CD2 HIS A 17 -1.598 -10.546 3.832 1.00 21.35 C ATOM 251 CE1 HIS A 17 -1.148 -12.427 4.894 1.00 12.14 C ATOM 252 NE2 HIS A 17 -0.973 -11.093 4.963 1.00 12.52 N ATOM 0 H HIS A 17 -4.660 -11.224 0.144 1.00 14.32 H new ATOM 0 HA HIS A 17 -4.693 -12.582 2.606 1.00 71.24 H new ATOM 0 HB2 HIS A 17 -2.684 -12.297 1.198 1.00 34.15 H new ATOM 0 HB3 HIS A 17 -2.764 -10.556 1.380 1.00 34.15 H new ATOM 0 HD1 HIS A 17 -2.179 -13.689 3.556 1.00 14.24 H new ATOM 0 HD2 HIS A 17 -1.645 -9.500 3.565 1.00 21.35 H new ATOM 0 HE1 HIS A 17 -0.756 -13.136 5.608 1.00 12.14 H new ATOM 260 N ALA A 18 -4.974 -9.294 2.772 1.00 30.22 N ATOM 261 CA ALA A 18 -5.282 -8.158 3.610 1.00 44.23 C ATOM 262 C ALA A 18 -6.688 -8.319 4.195 1.00 21.02 C ATOM 263 O ALA A 18 -6.865 -8.080 5.388 1.00 4.50 O ATOM 264 CB ALA A 18 -5.101 -6.891 2.773 1.00 72.15 C ATOM 0 H ALA A 18 -4.860 -9.049 1.788 1.00 30.22 H new ATOM 0 HA ALA A 18 -4.609 -8.086 4.465 1.00 44.23 H new ATOM 0 HB1 ALA A 18 -5.328 -6.017 3.383 1.00 72.15 H new ATOM 0 HB2 ALA A 18 -4.071 -6.831 2.422 1.00 72.15 H new ATOM 0 HB3 ALA A 18 -5.775 -6.921 1.917 1.00 72.15 H new ATOM 270 N GLU A 19 -7.649 -8.807 3.401 1.00 1.45 N ATOM 271 CA GLU A 19 -8.985 -9.183 3.857 1.00 52.40 C ATOM 272 C GLU A 19 -8.924 -10.259 4.948 1.00 43.31 C ATOM 273 O GLU A 19 -9.631 -10.172 5.958 1.00 64.05 O ATOM 274 CB GLU A 19 -9.819 -9.730 2.678 1.00 15.42 C ATOM 275 CG GLU A 19 -10.913 -8.792 2.160 1.00 63.22 C ATOM 276 CD GLU A 19 -12.229 -9.542 1.971 1.00 73.12 C ATOM 277 OE1 GLU A 19 -12.924 -9.780 2.986 1.00 10.41 O ATOM 278 OE2 GLU A 19 -12.658 -9.807 0.826 1.00 65.34 O ATOM 0 H GLU A 19 -7.512 -8.953 2.401 1.00 1.45 H new ATOM 0 HA GLU A 19 -9.450 -8.286 4.266 1.00 52.40 H new ATOM 0 HB2 GLU A 19 -9.144 -9.964 1.855 1.00 15.42 H new ATOM 0 HB3 GLU A 19 -10.283 -10.667 2.986 1.00 15.42 H new ATOM 0 HG2 GLU A 19 -11.056 -7.970 2.862 1.00 63.22 H new ATOM 0 HG3 GLU A 19 -10.602 -8.352 1.213 1.00 63.22 H new ATOM 285 N GLU A 20 -8.123 -11.304 4.719 1.00 51.23 N ATOM 286 CA GLU A 20 -8.050 -12.474 5.583 1.00 31.20 C ATOM 287 C GLU A 20 -7.470 -12.072 6.933 1.00 20.24 C ATOM 288 O GLU A 20 -8.037 -12.342 7.990 1.00 51.22 O ATOM 289 CB GLU A 20 -7.181 -13.557 4.916 1.00 65.14 C ATOM 290 CG GLU A 20 -7.316 -14.924 5.604 1.00 13.04 C ATOM 291 CD GLU A 20 -8.657 -15.600 5.303 1.00 34.51 C ATOM 292 OE1 GLU A 20 -9.145 -15.518 4.149 1.00 52.31 O ATOM 293 OE2 GLU A 20 -9.243 -16.213 6.218 1.00 31.15 O ATOM 0 H GLU A 20 -7.499 -11.356 3.914 1.00 51.23 H new ATOM 0 HA GLU A 20 -9.049 -12.881 5.739 1.00 31.20 H new ATOM 0 HB2 GLU A 20 -7.465 -13.652 3.868 1.00 65.14 H new ATOM 0 HB3 GLU A 20 -6.137 -13.245 4.937 1.00 65.14 H new ATOM 0 HG2 GLU A 20 -6.504 -15.573 5.278 1.00 13.04 H new ATOM 0 HG3 GLU A 20 -7.210 -14.797 6.681 1.00 13.04 H new ATOM 300 N THR A 21 -6.310 -11.426 6.899 1.00 61.13 N ATOM 301 CA THR A 21 -5.522 -11.116 8.079 1.00 64.43 C ATOM 302 C THR A 21 -5.991 -9.832 8.770 1.00 10.42 C ATOM 303 O THR A 21 -5.486 -9.513 9.853 1.00 22.14 O ATOM 304 CB THR A 21 -4.037 -11.092 7.693 1.00 53.40 C ATOM 305 OG1 THR A 21 -3.757 -10.129 6.700 1.00 53.05 O ATOM 306 CG2 THR A 21 -3.585 -12.455 7.164 1.00 40.01 C ATOM 0 H THR A 21 -5.885 -11.098 6.032 1.00 61.13 H new ATOM 0 HA THR A 21 -5.667 -11.897 8.826 1.00 64.43 H new ATOM 0 HB THR A 21 -3.496 -10.836 8.604 1.00 53.40 H new ATOM 0 HG1 THR A 21 -3.960 -10.502 5.817 1.00 53.05 H new ATOM 0 HG21 THR A 21 -2.529 -12.410 6.898 1.00 40.01 H new ATOM 0 HG22 THR A 21 -3.733 -13.212 7.934 1.00 40.01 H new ATOM 0 HG23 THR A 21 -4.171 -12.716 6.282 1.00 40.01 H new ATOM 314 N ARG A 22 -6.995 -9.148 8.194 1.00 1.12 N ATOM 315 CA ARG A 22 -7.458 -7.796 8.480 1.00 22.33 C ATOM 316 C ARG A 22 -6.286 -6.830 8.633 1.00 63.51 C ATOM 317 O ARG A 22 -6.172 -6.123 9.636 1.00 25.23 O ATOM 318 CB ARG A 22 -8.575 -7.687 9.521 1.00 71.55 C ATOM 319 CG ARG A 22 -8.384 -8.500 10.793 1.00 54.43 C ATOM 320 CD ARG A 22 -8.764 -9.971 10.587 1.00 32.33 C ATOM 321 NE ARG A 22 -8.845 -10.695 11.860 1.00 13.44 N ATOM 322 CZ ARG A 22 -7.823 -11.097 12.619 1.00 2.15 C ATOM 323 NH1 ARG A 22 -6.566 -10.877 12.237 1.00 13.31 N ATOM 324 NH2 ARG A 22 -8.085 -11.683 13.778 1.00 22.13 N ATOM 0 H ARG A 22 -7.547 -9.574 7.450 1.00 1.12 H new ATOM 0 HA ARG A 22 -7.997 -7.457 7.595 1.00 22.33 H new ATOM 0 HB2 ARG A 22 -8.686 -6.638 9.797 1.00 71.55 H new ATOM 0 HB3 ARG A 22 -9.511 -7.994 9.054 1.00 71.55 H new ATOM 0 HG2 ARG A 22 -7.345 -8.434 11.115 1.00 54.43 H new ATOM 0 HG3 ARG A 22 -8.992 -8.075 11.591 1.00 54.43 H new ATOM 0 HD2 ARG A 22 -9.724 -10.030 10.073 1.00 32.33 H new ATOM 0 HD3 ARG A 22 -8.027 -10.450 9.942 1.00 32.33 H new ATOM 0 HE ARG A 22 -9.781 -10.914 12.201 1.00 13.44 H new ATOM 0 HH11 ARG A 22 -6.377 -10.397 11.357 1.00 13.31 H new ATOM 0 HH12 ARG A 22 -5.793 -11.188 12.825 1.00 13.31 H new ATOM 0 HH21 ARG A 22 -9.052 -11.819 14.074 1.00 22.13 H new ATOM 0 HH22 ARG A 22 -7.320 -11.998 14.374 1.00 22.13 H new ATOM 338 N LYS A 23 -5.372 -6.857 7.660 1.00 52.41 N ATOM 339 CA LYS A 23 -4.310 -5.864 7.548 1.00 53.12 C ATOM 340 C LYS A 23 -4.862 -4.730 6.693 1.00 24.24 C ATOM 341 O LYS A 23 -5.443 -4.994 5.642 1.00 71.21 O ATOM 342 CB LYS A 23 -3.034 -6.470 6.943 1.00 11.21 C ATOM 343 CG LYS A 23 -2.323 -7.388 7.952 1.00 0.34 C ATOM 344 CD LYS A 23 -1.218 -8.240 7.318 1.00 63.05 C ATOM 345 CE LYS A 23 -0.769 -9.294 8.340 1.00 1.44 C ATOM 346 NZ LYS A 23 -0.065 -10.426 7.708 1.00 22.11 N ATOM 0 H LYS A 23 -5.350 -7.569 6.930 1.00 52.41 H new ATOM 0 HA LYS A 23 -4.019 -5.493 8.531 1.00 53.12 H new ATOM 0 HB2 LYS A 23 -3.287 -7.037 6.047 1.00 11.21 H new ATOM 0 HB3 LYS A 23 -2.359 -5.671 6.635 1.00 11.21 H new ATOM 0 HG2 LYS A 23 -1.892 -6.779 8.747 1.00 0.34 H new ATOM 0 HG3 LYS A 23 -3.058 -8.045 8.417 1.00 0.34 H new ATOM 0 HD2 LYS A 23 -1.585 -8.723 6.412 1.00 63.05 H new ATOM 0 HD3 LYS A 23 -0.376 -7.612 7.026 1.00 63.05 H new ATOM 0 HE2 LYS A 23 -0.114 -8.827 9.075 1.00 1.44 H new ATOM 0 HE3 LYS A 23 -1.640 -9.667 8.880 1.00 1.44 H new ATOM 0 HZ1 LYS A 23 -0.197 -11.282 8.284 1.00 22.11 H new ATOM 0 HZ2 LYS A 23 -0.451 -10.587 6.756 1.00 22.11 H new ATOM 0 HZ3 LYS A 23 0.950 -10.208 7.638 1.00 22.11 H new ATOM 360 N LEU A 24 -4.683 -3.488 7.134 1.00 52.22 N ATOM 361 CA LEU A 24 -5.091 -2.298 6.399 1.00 33.45 C ATOM 362 C LEU A 24 -4.384 -2.252 5.049 1.00 54.53 C ATOM 363 O LEU A 24 -3.195 -2.572 4.945 1.00 61.45 O ATOM 364 CB LEU A 24 -4.779 -1.055 7.247 1.00 51.23 C ATOM 365 CG LEU A 24 -5.111 0.286 6.547 1.00 4.45 C ATOM 366 CD1 LEU A 24 -5.766 1.245 7.538 1.00 12.44 C ATOM 367 CD2 LEU A 24 -3.874 1.020 6.024 1.00 43.01 C ATOM 0 H LEU A 24 -4.242 -3.278 8.029 1.00 52.22 H new ATOM 0 HA LEU A 24 -6.163 -2.323 6.206 1.00 33.45 H new ATOM 0 HB2 LEU A 24 -5.340 -1.114 8.180 1.00 51.23 H new ATOM 0 HB3 LEU A 24 -3.721 -1.064 7.510 1.00 51.23 H new ATOM 0 HG LEU A 24 -5.762 0.021 5.714 1.00 4.45 H new ATOM 0 HD11 LEU A 24 -5.996 2.185 7.037 1.00 12.44 H new ATOM 0 HD12 LEU A 24 -6.686 0.802 7.919 1.00 12.44 H new ATOM 0 HD13 LEU A 24 -5.084 1.433 8.367 1.00 12.44 H new ATOM 0 HD21 LEU A 24 -4.178 1.951 5.545 1.00 43.01 H new ATOM 0 HD22 LEU A 24 -3.204 1.241 6.855 1.00 43.01 H new ATOM 0 HD23 LEU A 24 -3.357 0.391 5.299 1.00 43.01 H new ATOM 379 N MET A 25 -5.101 -1.772 4.031 1.00 32.22 N ATOM 380 CA MET A 25 -4.627 -1.703 2.662 1.00 13.21 C ATOM 381 C MET A 25 -4.587 -0.248 2.170 1.00 43.51 C ATOM 382 O MET A 25 -5.579 0.249 1.633 1.00 0.05 O ATOM 383 CB MET A 25 -5.445 -2.668 1.799 1.00 33.03 C ATOM 384 CG MET A 25 -4.836 -2.864 0.412 1.00 31.10 C ATOM 385 SD MET A 25 -5.686 -4.146 -0.543 1.00 43.32 S ATOM 386 CE MET A 25 -4.564 -4.286 -1.952 1.00 41.43 C ATOM 0 H MET A 25 -6.049 -1.414 4.146 1.00 32.22 H new ATOM 0 HA MET A 25 -3.592 -2.037 2.587 1.00 13.21 H new ATOM 0 HB2 MET A 25 -5.514 -3.632 2.302 1.00 33.03 H new ATOM 0 HB3 MET A 25 -6.461 -2.288 1.697 1.00 33.03 H new ATOM 0 HG2 MET A 25 -4.875 -1.922 -0.135 1.00 31.10 H new ATOM 0 HG3 MET A 25 -3.784 -3.129 0.515 1.00 31.10 H new ATOM 0 HE1 MET A 25 -4.861 -5.133 -2.571 1.00 41.43 H new ATOM 0 HE2 MET A 25 -4.607 -3.371 -2.543 1.00 41.43 H new ATOM 0 HE3 MET A 25 -3.546 -4.438 -1.593 1.00 41.43 H new ATOM 396 N PRO A 26 -3.492 0.497 2.415 1.00 63.33 N ATOM 397 CA PRO A 26 -3.323 1.829 1.848 1.00 23.12 C ATOM 398 C PRO A 26 -3.225 1.761 0.316 1.00 12.43 C ATOM 399 O PRO A 26 -2.507 0.911 -0.221 1.00 62.12 O ATOM 400 CB PRO A 26 -2.034 2.381 2.450 1.00 54.01 C ATOM 401 CG PRO A 26 -1.354 1.240 3.201 1.00 1.22 C ATOM 402 CD PRO A 26 -2.235 0.018 2.969 1.00 12.52 C ATOM 0 HA PRO A 26 -4.174 2.470 2.077 1.00 23.12 H new ATOM 0 HB2 PRO A 26 -1.381 2.769 1.668 1.00 54.01 H new ATOM 0 HB3 PRO A 26 -2.250 3.209 3.125 1.00 54.01 H new ATOM 0 HG2 PRO A 26 -0.344 1.072 2.828 1.00 1.22 H new ATOM 0 HG3 PRO A 26 -1.268 1.466 4.264 1.00 1.22 H new ATOM 0 HD2 PRO A 26 -1.753 -0.680 2.284 1.00 12.52 H new ATOM 0 HD3 PRO A 26 -2.405 -0.518 3.903 1.00 12.52 H new ATOM 410 N ILE A 27 -3.930 2.661 -0.376 1.00 2.41 N ATOM 411 CA ILE A 27 -4.056 2.732 -1.830 1.00 54.13 C ATOM 412 C ILE A 27 -4.087 4.226 -2.171 1.00 31.41 C ATOM 413 O ILE A 27 -4.997 4.927 -1.730 1.00 2.12 O ATOM 414 CB ILE A 27 -5.354 2.010 -2.287 1.00 2.11 C ATOM 415 CG1 ILE A 27 -5.264 0.489 -2.015 1.00 31.41 C ATOM 416 CG2 ILE A 27 -5.649 2.287 -3.777 1.00 10.33 C ATOM 417 CD1 ILE A 27 -6.586 -0.259 -2.197 1.00 3.13 C ATOM 0 H ILE A 27 -4.456 3.399 0.092 1.00 2.41 H new ATOM 0 HA ILE A 27 -3.231 2.237 -2.343 1.00 54.13 H new ATOM 0 HB ILE A 27 -6.183 2.410 -1.703 1.00 2.11 H new ATOM 0 HG12 ILE A 27 -4.519 0.055 -2.682 1.00 31.41 H new ATOM 0 HG13 ILE A 27 -4.909 0.334 -0.996 1.00 31.41 H new ATOM 0 HG21 ILE A 27 -6.563 1.769 -4.069 1.00 10.33 H new ATOM 0 HG22 ILE A 27 -5.774 3.359 -3.930 1.00 10.33 H new ATOM 0 HG23 ILE A 27 -4.818 1.928 -4.385 1.00 10.33 H new ATOM 0 HD11 ILE A 27 -6.437 -1.318 -1.988 1.00 3.13 H new ATOM 0 HD12 ILE A 27 -7.330 0.145 -1.511 1.00 3.13 H new ATOM 0 HD13 ILE A 27 -6.935 -0.138 -3.223 1.00 3.13 H new ATOM 429 N CYS A 28 -3.118 4.732 -2.931 1.00 60.10 N ATOM 430 CA CYS A 28 -3.154 6.123 -3.372 1.00 14.51 C ATOM 431 C CYS A 28 -4.266 6.270 -4.418 1.00 10.24 C ATOM 432 O CYS A 28 -4.404 5.428 -5.307 1.00 42.12 O ATOM 433 CB CYS A 28 -1.782 6.538 -3.921 1.00 60.30 C ATOM 434 SG CYS A 28 -1.767 8.258 -4.503 1.00 51.45 S ATOM 0 H CYS A 28 -2.306 4.205 -3.251 1.00 60.10 H new ATOM 0 HA CYS A 28 -3.373 6.788 -2.536 1.00 14.51 H new ATOM 0 HB2 CYS A 28 -1.029 6.413 -3.143 1.00 60.30 H new ATOM 0 HB3 CYS A 28 -1.506 5.876 -4.742 1.00 60.30 H new ATOM 0 HG CYS A 28 -0.584 8.554 -4.953 1.00 51.45 H new ATOM 440 N MET A 29 -5.021 7.369 -4.348 1.00 60.13 N ATOM 441 CA MET A 29 -6.144 7.679 -5.231 1.00 11.22 C ATOM 442 C MET A 29 -5.715 7.820 -6.700 1.00 22.45 C ATOM 443 O MET A 29 -6.568 7.844 -7.585 1.00 34.13 O ATOM 444 CB MET A 29 -6.823 8.972 -4.732 1.00 11.20 C ATOM 445 CG MET A 29 -8.281 9.096 -5.184 1.00 13.21 C ATOM 446 SD MET A 29 -9.199 10.414 -4.337 1.00 70.20 S ATOM 447 CE MET A 29 -9.391 9.705 -2.676 1.00 44.23 C ATOM 0 H MET A 29 -4.860 8.093 -3.648 1.00 60.13 H new ATOM 0 HA MET A 29 -6.848 6.847 -5.198 1.00 11.22 H new ATOM 0 HB2 MET A 29 -6.782 9.000 -3.643 1.00 11.20 H new ATOM 0 HB3 MET A 29 -6.262 9.833 -5.094 1.00 11.20 H new ATOM 0 HG2 MET A 29 -8.305 9.281 -6.258 1.00 13.21 H new ATOM 0 HG3 MET A 29 -8.787 8.146 -5.013 1.00 13.21 H new ATOM 0 HE1 MET A 29 -10.042 10.345 -2.080 1.00 44.23 H new ATOM 0 HE2 MET A 29 -9.832 8.711 -2.753 1.00 44.23 H new ATOM 0 HE3 MET A 29 -8.415 9.633 -2.196 1.00 44.23 H new ATOM 457 N ASP A 30 -4.411 7.938 -6.975 1.00 53.11 N ATOM 458 CA ASP A 30 -3.866 8.077 -8.325 1.00 14.55 C ATOM 459 C ASP A 30 -3.655 6.747 -9.041 1.00 12.40 C ATOM 460 O ASP A 30 -3.441 6.747 -10.252 1.00 23.43 O ATOM 461 CB ASP A 30 -2.591 8.926 -8.281 1.00 12.33 C ATOM 462 CG ASP A 30 -2.175 9.411 -9.673 1.00 53.11 C ATOM 463 OD1 ASP A 30 -2.799 10.385 -10.149 1.00 71.22 O ATOM 464 OD2 ASP A 30 -1.221 8.866 -10.278 1.00 1.23 O ATOM 0 H ASP A 30 -3.694 7.939 -6.250 1.00 53.11 H new ATOM 0 HA ASP A 30 -4.613 8.593 -8.928 1.00 14.55 H new ATOM 0 HB2 ASP A 30 -2.751 9.786 -7.630 1.00 12.33 H new ATOM 0 HB3 ASP A 30 -1.781 8.342 -7.844 1.00 12.33 H new ATOM 469 N VAL A 31 -3.745 5.613 -8.343 1.00 20.53 N ATOM 470 CA VAL A 31 -3.369 4.332 -8.927 1.00 34.43 C ATOM 471 C VAL A 31 -4.599 3.682 -9.558 1.00 13.12 C ATOM 472 O VAL A 31 -5.282 2.881 -8.911 1.00 24.21 O ATOM 473 CB VAL A 31 -2.682 3.426 -7.879 1.00 75.22 C ATOM 474 CG1 VAL A 31 -2.029 2.212 -8.548 1.00 44.50 C ATOM 475 CG2 VAL A 31 -1.576 4.171 -7.132 1.00 53.53 C ATOM 0 H VAL A 31 -4.073 5.559 -7.379 1.00 20.53 H new ATOM 0 HA VAL A 31 -2.634 4.489 -9.717 1.00 34.43 H new ATOM 0 HB VAL A 31 -3.464 3.115 -7.186 1.00 75.22 H new ATOM 0 HG11 VAL A 31 -1.553 1.591 -7.789 1.00 44.50 H new ATOM 0 HG12 VAL A 31 -2.790 1.630 -9.068 1.00 44.50 H new ATOM 0 HG13 VAL A 31 -1.279 2.550 -9.263 1.00 44.50 H new ATOM 0 HG21 VAL A 31 -1.115 3.503 -6.404 1.00 53.53 H new ATOM 0 HG22 VAL A 31 -0.821 4.509 -7.842 1.00 53.53 H new ATOM 0 HG23 VAL A 31 -2.001 5.032 -6.617 1.00 53.53 H new ATOM 485 N ARG A 32 -4.913 4.018 -10.816 1.00 11.23 N ATOM 486 CA ARG A 32 -6.109 3.469 -11.456 1.00 33.22 C ATOM 487 C ARG A 32 -6.060 1.942 -11.551 1.00 51.44 C ATOM 488 O ARG A 32 -7.119 1.326 -11.458 1.00 50.33 O ATOM 489 CB ARG A 32 -6.398 4.109 -12.822 1.00 0.25 C ATOM 490 CG ARG A 32 -6.681 5.623 -12.785 1.00 74.42 C ATOM 491 CD ARG A 32 -7.838 6.057 -11.862 1.00 21.52 C ATOM 492 NE ARG A 32 -8.196 7.474 -12.072 1.00 35.34 N ATOM 493 CZ ARG A 32 -8.948 8.258 -11.282 1.00 11.13 C ATOM 494 NH1 ARG A 32 -9.387 7.816 -10.103 1.00 40.14 N ATOM 495 NH2 ARG A 32 -9.249 9.495 -11.668 1.00 64.34 N ATOM 0 H ARG A 32 -4.367 4.654 -11.398 1.00 11.23 H new ATOM 0 HA ARG A 32 -6.945 3.729 -10.806 1.00 33.22 H new ATOM 0 HB2 ARG A 32 -5.546 3.930 -13.478 1.00 0.25 H new ATOM 0 HB3 ARG A 32 -7.255 3.605 -13.268 1.00 0.25 H new ATOM 0 HG2 ARG A 32 -5.774 6.137 -12.469 1.00 74.42 H new ATOM 0 HG3 ARG A 32 -6.901 5.959 -13.798 1.00 74.42 H new ATOM 0 HD2 ARG A 32 -8.709 5.429 -12.049 1.00 21.52 H new ATOM 0 HD3 ARG A 32 -7.552 5.903 -10.822 1.00 21.52 H new ATOM 0 HE ARG A 32 -7.828 7.910 -12.918 1.00 35.34 H new ATOM 0 HH11 ARG A 32 -9.152 6.873 -9.792 1.00 40.14 H new ATOM 0 HH12 ARG A 32 -9.957 8.421 -9.512 1.00 40.14 H new ATOM 0 HH21 ARG A 32 -8.909 9.847 -12.563 1.00 64.34 H new ATOM 0 HH22 ARG A 32 -9.820 10.091 -11.069 1.00 64.34 H new ATOM 509 N ALA A 33 -4.878 1.323 -11.665 1.00 24.32 N ATOM 510 CA ALA A 33 -4.758 -0.132 -11.766 1.00 51.41 C ATOM 511 C ALA A 33 -5.380 -0.839 -10.564 1.00 30.21 C ATOM 512 O ALA A 33 -6.181 -1.765 -10.709 1.00 4.33 O ATOM 513 CB ALA A 33 -3.284 -0.538 -11.886 1.00 15.22 C ATOM 0 H ALA A 33 -3.985 1.815 -11.689 1.00 24.32 H new ATOM 0 HA ALA A 33 -5.300 -0.438 -12.660 1.00 51.41 H new ATOM 0 HB1 ALA A 33 -3.210 -1.623 -11.960 1.00 15.22 H new ATOM 0 HB2 ALA A 33 -2.853 -0.083 -12.778 1.00 15.22 H new ATOM 0 HB3 ALA A 33 -2.740 -0.197 -11.005 1.00 15.22 H new ATOM 519 N ILE A 34 -4.963 -0.423 -9.372 1.00 34.24 N ATOM 520 CA ILE A 34 -5.402 -0.960 -8.094 1.00 14.21 C ATOM 521 C ILE A 34 -6.874 -0.586 -7.913 1.00 73.54 C ATOM 522 O ILE A 34 -7.726 -1.453 -7.703 1.00 31.15 O ATOM 523 CB ILE A 34 -4.470 -0.387 -6.998 1.00 72.33 C ATOM 524 CG1 ILE A 34 -3.000 -0.826 -7.191 1.00 65.53 C ATOM 525 CG2 ILE A 34 -4.938 -0.697 -5.571 1.00 53.03 C ATOM 526 CD1 ILE A 34 -2.707 -2.321 -7.030 1.00 44.42 C ATOM 0 H ILE A 34 -4.282 0.329 -9.269 1.00 34.24 H new ATOM 0 HA ILE A 34 -5.337 -2.047 -8.036 1.00 14.21 H new ATOM 0 HB ILE A 34 -4.525 0.695 -7.122 1.00 72.33 H new ATOM 0 HG12 ILE A 34 -2.681 -0.521 -8.188 1.00 65.53 H new ATOM 0 HG13 ILE A 34 -2.384 -0.279 -6.478 1.00 65.53 H new ATOM 0 HG21 ILE A 34 -4.237 -0.265 -4.856 1.00 53.03 H new ATOM 0 HG22 ILE A 34 -5.928 -0.270 -5.412 1.00 53.03 H new ATOM 0 HG23 ILE A 34 -4.982 -1.777 -5.429 1.00 53.03 H new ATOM 0 HD11 ILE A 34 -1.644 -2.503 -7.189 1.00 44.42 H new ATOM 0 HD12 ILE A 34 -2.983 -2.640 -6.025 1.00 44.42 H new ATOM 0 HD13 ILE A 34 -3.285 -2.886 -7.762 1.00 44.42 H new ATOM 538 N MET A 35 -7.170 0.709 -8.045 1.00 4.02 N ATOM 539 CA MET A 35 -8.480 1.307 -7.851 1.00 13.24 C ATOM 540 C MET A 35 -9.567 0.585 -8.647 1.00 13.15 C ATOM 541 O MET A 35 -10.653 0.328 -8.116 1.00 54.42 O ATOM 542 CB MET A 35 -8.368 2.775 -8.267 1.00 61.12 C ATOM 543 CG MET A 35 -9.673 3.538 -8.072 1.00 43.22 C ATOM 544 SD MET A 35 -9.490 5.220 -7.432 1.00 55.14 S ATOM 545 CE MET A 35 -8.718 4.791 -5.851 1.00 40.33 C ATOM 0 H MET A 35 -6.463 1.398 -8.303 1.00 4.02 H new ATOM 0 HA MET A 35 -8.777 1.222 -6.806 1.00 13.24 H new ATOM 0 HB2 MET A 35 -7.580 3.255 -7.686 1.00 61.12 H new ATOM 0 HB3 MET A 35 -8.071 2.831 -9.314 1.00 61.12 H new ATOM 0 HG2 MET A 35 -10.195 3.584 -9.028 1.00 43.22 H new ATOM 0 HG3 MET A 35 -10.308 2.973 -7.389 1.00 43.22 H new ATOM 0 HE1 MET A 35 -8.972 5.545 -5.106 1.00 40.33 H new ATOM 0 HE2 MET A 35 -9.081 3.818 -5.521 1.00 40.33 H new ATOM 0 HE3 MET A 35 -7.636 4.752 -5.973 1.00 40.33 H new ATOM 555 N ALA A 36 -9.272 0.234 -9.902 1.00 74.33 N ATOM 556 CA ALA A 36 -10.196 -0.459 -10.781 1.00 4.32 C ATOM 557 C ALA A 36 -10.722 -1.725 -10.122 1.00 32.42 C ATOM 558 O ALA A 36 -11.925 -1.968 -10.156 1.00 11.22 O ATOM 559 CB ALA A 36 -9.500 -0.826 -12.097 1.00 34.25 C ATOM 0 H ALA A 36 -8.369 0.430 -10.335 1.00 74.33 H new ATOM 0 HA ALA A 36 -11.033 0.209 -10.984 1.00 4.32 H new ATOM 0 HB1 ALA A 36 -10.203 -1.345 -12.748 1.00 34.25 H new ATOM 0 HB2 ALA A 36 -9.152 0.082 -12.590 1.00 34.25 H new ATOM 0 HB3 ALA A 36 -8.650 -1.476 -11.890 1.00 34.25 H new ATOM 565 N THR A 37 -9.857 -2.548 -9.527 1.00 21.32 N ATOM 566 CA THR A 37 -10.297 -3.814 -8.960 1.00 53.05 C ATOM 567 C THR A 37 -11.202 -3.579 -7.763 1.00 44.53 C ATOM 568 O THR A 37 -12.187 -4.308 -7.642 1.00 14.22 O ATOM 569 CB THR A 37 -9.091 -4.682 -8.610 1.00 35.10 C ATOM 570 OG1 THR A 37 -8.411 -4.961 -9.822 1.00 25.35 O ATOM 571 CG2 THR A 37 -9.429 -6.004 -7.906 1.00 32.21 C ATOM 0 H THR A 37 -8.859 -2.360 -9.428 1.00 21.32 H new ATOM 0 HA THR A 37 -10.885 -4.354 -9.703 1.00 53.05 H new ATOM 0 HB THR A 37 -8.486 -4.124 -7.896 1.00 35.10 H new ATOM 0 HG1 THR A 37 -7.839 -5.748 -9.703 1.00 25.35 H new ATOM 0 HG21 THR A 37 -8.509 -6.551 -7.698 1.00 32.21 H new ATOM 0 HG22 THR A 37 -9.947 -5.796 -6.970 1.00 32.21 H new ATOM 0 HG23 THR A 37 -10.071 -6.605 -8.550 1.00 32.21 H new ATOM 579 N ILE A 38 -10.926 -2.575 -6.920 1.00 74.31 N ATOM 580 CA ILE A 38 -11.786 -2.311 -5.782 1.00 62.40 C ATOM 581 C ILE A 38 -13.152 -1.895 -6.321 1.00 43.12 C ATOM 582 O ILE A 38 -14.133 -2.543 -5.978 1.00 1.12 O ATOM 583 CB ILE A 38 -11.140 -1.296 -4.817 1.00 64.01 C ATOM 584 CG1 ILE A 38 -10.008 -1.951 -3.987 1.00 14.20 C ATOM 585 CG2 ILE A 38 -12.202 -0.737 -3.849 1.00 63.44 C ATOM 586 CD1 ILE A 38 -8.683 -2.173 -4.721 1.00 2.12 C ATOM 0 H ILE A 38 -10.127 -1.948 -7.010 1.00 74.31 H new ATOM 0 HA ILE A 38 -11.925 -3.203 -5.172 1.00 62.40 H new ATOM 0 HB ILE A 38 -10.718 -0.492 -5.419 1.00 64.01 H new ATOM 0 HG12 ILE A 38 -9.817 -1.328 -3.113 1.00 14.20 H new ATOM 0 HG13 ILE A 38 -10.363 -2.914 -3.620 1.00 14.20 H new ATOM 0 HG21 ILE A 38 -11.736 -0.021 -3.172 1.00 63.44 H new ATOM 0 HG22 ILE A 38 -12.987 -0.240 -4.418 1.00 63.44 H new ATOM 0 HG23 ILE A 38 -12.634 -1.554 -3.272 1.00 63.44 H new ATOM 0 HD11 ILE A 38 -7.965 -2.636 -4.044 1.00 2.12 H new ATOM 0 HD12 ILE A 38 -8.847 -2.826 -5.578 1.00 2.12 H new ATOM 0 HD13 ILE A 38 -8.292 -1.215 -5.064 1.00 2.12 H new ATOM 598 N GLN A 39 -13.223 -0.882 -7.190 1.00 53.14 N ATOM 599 CA GLN A 39 -14.492 -0.387 -7.726 1.00 31.51 C ATOM 600 C GLN A 39 -15.236 -1.435 -8.563 1.00 31.32 C ATOM 601 O GLN A 39 -16.460 -1.375 -8.670 1.00 45.21 O ATOM 602 CB GLN A 39 -14.248 0.884 -8.552 1.00 12.21 C ATOM 603 CG GLN A 39 -13.944 2.081 -7.641 1.00 53.15 C ATOM 604 CD GLN A 39 -13.744 3.369 -8.434 1.00 44.32 C ATOM 605 OE1 GLN A 39 -14.537 3.737 -9.296 1.00 1.33 O ATOM 606 NE2 GLN A 39 -12.672 4.092 -8.178 1.00 0.14 N ATOM 0 H GLN A 39 -12.404 -0.384 -7.540 1.00 53.14 H new ATOM 0 HA GLN A 39 -15.133 -0.157 -6.875 1.00 31.51 H new ATOM 0 HB2 GLN A 39 -13.416 0.723 -9.237 1.00 12.21 H new ATOM 0 HB3 GLN A 39 -15.125 1.100 -9.162 1.00 12.21 H new ATOM 0 HG2 GLN A 39 -14.762 2.215 -6.933 1.00 53.15 H new ATOM 0 HG3 GLN A 39 -13.048 1.873 -7.056 1.00 53.15 H new ATOM 0 HE21 GLN A 39 -12.011 3.789 -7.462 1.00 0.14 H new ATOM 0 HE22 GLN A 39 -12.503 4.955 -8.695 1.00 0.14 H new ATOM 615 N ARG A 40 -14.530 -2.397 -9.160 1.00 13.22 N ATOM 616 CA ARG A 40 -15.131 -3.533 -9.855 1.00 60.13 C ATOM 617 C ARG A 40 -15.764 -4.493 -8.857 1.00 51.24 C ATOM 618 O ARG A 40 -16.865 -4.981 -9.105 1.00 74.04 O ATOM 619 CB ARG A 40 -14.051 -4.261 -10.675 1.00 62.03 C ATOM 620 CG ARG A 40 -13.752 -3.558 -12.007 1.00 55.21 C ATOM 621 CD ARG A 40 -14.665 -4.142 -13.084 1.00 73.00 C ATOM 622 NE ARG A 40 -14.644 -3.372 -14.333 1.00 71.14 N ATOM 623 CZ ARG A 40 -15.203 -2.179 -14.575 1.00 71.54 C ATOM 624 NH1 ARG A 40 -15.958 -1.567 -13.665 1.00 74.31 N ATOM 625 NH2 ARG A 40 -14.969 -1.615 -15.751 1.00 62.54 N ATOM 0 H ARG A 40 -13.510 -2.407 -9.174 1.00 13.22 H new ATOM 0 HA ARG A 40 -15.911 -3.169 -10.524 1.00 60.13 H new ATOM 0 HB2 ARG A 40 -13.135 -4.325 -10.088 1.00 62.03 H new ATOM 0 HB3 ARG A 40 -14.376 -5.283 -10.872 1.00 62.03 H new ATOM 0 HG2 ARG A 40 -13.917 -2.485 -11.913 1.00 55.21 H new ATOM 0 HG3 ARG A 40 -12.706 -3.697 -12.282 1.00 55.21 H new ATOM 0 HD2 ARG A 40 -14.363 -5.168 -13.291 1.00 73.00 H new ATOM 0 HD3 ARG A 40 -15.686 -4.181 -12.705 1.00 73.00 H new ATOM 0 HE ARG A 40 -14.142 -3.797 -15.113 1.00 71.14 H new ATOM 0 HH11 ARG A 40 -16.122 -2.006 -12.759 1.00 74.31 H new ATOM 0 HH12 ARG A 40 -16.373 -0.659 -13.874 1.00 74.31 H new ATOM 0 HH21 ARG A 40 -14.380 -2.089 -16.436 1.00 62.54 H new ATOM 0 HH22 ARG A 40 -15.378 -0.707 -15.971 1.00 62.54 H new ATOM 639 N LYS A 41 -15.045 -4.821 -7.784 1.00 11.34 N ATOM 640 CA LYS A 41 -15.424 -5.852 -6.830 1.00 75.34 C ATOM 641 C LYS A 41 -16.504 -5.297 -5.913 1.00 42.32 C ATOM 642 O LYS A 41 -17.624 -5.797 -5.890 1.00 62.50 O ATOM 643 CB LYS A 41 -14.161 -6.313 -6.074 1.00 41.32 C ATOM 644 CG LYS A 41 -14.247 -7.722 -5.493 1.00 54.52 C ATOM 645 CD LYS A 41 -15.121 -7.866 -4.245 1.00 71.10 C ATOM 646 CE LYS A 41 -14.908 -9.315 -3.797 1.00 72.13 C ATOM 647 NZ LYS A 41 -15.823 -9.730 -2.718 1.00 44.14 N ATOM 0 H LYS A 41 -14.163 -4.364 -7.552 1.00 11.34 H new ATOM 0 HA LYS A 41 -15.842 -6.729 -7.325 1.00 75.34 H new ATOM 0 HB2 LYS A 41 -13.310 -6.265 -6.753 1.00 41.32 H new ATOM 0 HB3 LYS A 41 -13.962 -5.612 -5.264 1.00 41.32 H new ATOM 0 HG2 LYS A 41 -14.630 -8.391 -6.263 1.00 54.52 H new ATOM 0 HG3 LYS A 41 -13.239 -8.059 -5.251 1.00 54.52 H new ATOM 0 HD2 LYS A 41 -14.823 -7.162 -3.468 1.00 71.10 H new ATOM 0 HD3 LYS A 41 -16.169 -7.669 -4.469 1.00 71.10 H new ATOM 0 HE2 LYS A 41 -15.042 -9.977 -4.653 1.00 72.13 H new ATOM 0 HE3 LYS A 41 -13.879 -9.436 -3.459 1.00 72.13 H new ATOM 0 HZ1 LYS A 41 -15.629 -10.719 -2.460 1.00 44.14 H new ATOM 0 HZ2 LYS A 41 -15.680 -9.121 -1.888 1.00 44.14 H new ATOM 0 HZ3 LYS A 41 -16.807 -9.644 -3.045 1.00 44.14 H new ATOM 661 N TYR A 42 -16.167 -4.267 -5.149 1.00 61.34 N ATOM 662 CA TYR A 42 -17.039 -3.596 -4.223 1.00 50.23 C ATOM 663 C TYR A 42 -17.702 -2.419 -4.944 1.00 4.24 C ATOM 664 O TYR A 42 -17.056 -1.694 -5.701 1.00 11.24 O ATOM 665 CB TYR A 42 -16.202 -3.062 -3.057 1.00 43.33 C ATOM 666 CG TYR A 42 -15.502 -4.107 -2.217 1.00 52.34 C ATOM 667 CD1 TYR A 42 -16.168 -4.677 -1.119 1.00 65.31 C ATOM 668 CD2 TYR A 42 -14.180 -4.489 -2.518 1.00 1.12 C ATOM 669 CE1 TYR A 42 -15.511 -5.607 -0.305 1.00 41.22 C ATOM 670 CE2 TYR A 42 -13.527 -5.454 -1.731 1.00 1.23 C ATOM 671 CZ TYR A 42 -14.196 -6.012 -0.616 1.00 2.45 C ATOM 672 OH TYR A 42 -13.615 -6.971 0.154 1.00 71.04 O ATOM 0 H TYR A 42 -15.230 -3.865 -5.167 1.00 61.34 H new ATOM 0 HA TYR A 42 -17.799 -4.283 -3.850 1.00 50.23 H new ATOM 0 HB2 TYR A 42 -15.451 -2.381 -3.456 1.00 43.33 H new ATOM 0 HB3 TYR A 42 -16.851 -2.476 -2.407 1.00 43.33 H new ATOM 0 HD1 TYR A 42 -17.188 -4.397 -0.903 1.00 65.31 H new ATOM 0 HD2 TYR A 42 -13.667 -4.040 -3.355 1.00 1.12 H new ATOM 0 HE1 TYR A 42 -16.011 -6.015 0.561 1.00 41.22 H new ATOM 0 HE2 TYR A 42 -12.523 -5.767 -1.976 1.00 1.23 H new ATOM 0 HH TYR A 42 -12.710 -7.152 -0.176 1.00 71.04 H new ATOM 682 N LYS A 43 -18.971 -2.169 -4.637 1.00 42.11 N ATOM 683 CA LYS A 43 -19.770 -1.072 -5.191 1.00 1.32 C ATOM 684 C LYS A 43 -20.237 -0.096 -4.117 1.00 73.13 C ATOM 685 O LYS A 43 -20.164 1.111 -4.330 1.00 22.51 O ATOM 686 CB LYS A 43 -20.955 -1.647 -5.981 1.00 20.01 C ATOM 687 CG LYS A 43 -20.511 -2.591 -7.109 1.00 51.22 C ATOM 688 CD LYS A 43 -19.741 -1.862 -8.217 1.00 64.22 C ATOM 689 CE LYS A 43 -19.170 -2.827 -9.256 1.00 33.31 C ATOM 690 NZ LYS A 43 -20.068 -3.012 -10.409 1.00 71.20 N ATOM 0 H LYS A 43 -19.493 -2.742 -3.974 1.00 42.11 H new ATOM 0 HA LYS A 43 -19.136 -0.498 -5.867 1.00 1.32 H new ATOM 0 HB2 LYS A 43 -21.614 -2.186 -5.300 1.00 20.01 H new ATOM 0 HB3 LYS A 43 -21.536 -0.828 -6.405 1.00 20.01 H new ATOM 0 HG2 LYS A 43 -19.883 -3.379 -6.693 1.00 51.22 H new ATOM 0 HG3 LYS A 43 -21.388 -3.076 -7.539 1.00 51.22 H new ATOM 0 HD2 LYS A 43 -20.404 -1.151 -8.710 1.00 64.22 H new ATOM 0 HD3 LYS A 43 -18.929 -1.286 -7.774 1.00 64.22 H new ATOM 0 HE2 LYS A 43 -18.208 -2.452 -9.605 1.00 33.31 H new ATOM 0 HE3 LYS A 43 -18.984 -3.793 -8.786 1.00 33.31 H new ATOM 0 HZ1 LYS A 43 -19.635 -3.675 -11.084 1.00 71.20 H new ATOM 0 HZ2 LYS A 43 -20.978 -3.396 -10.082 1.00 71.20 H new ATOM 0 HZ3 LYS A 43 -20.226 -2.096 -10.876 1.00 71.20 H new ATOM 704 N GLY A 44 -20.635 -0.584 -2.938 1.00 34.45 N ATOM 705 CA GLY A 44 -21.037 0.289 -1.833 1.00 24.13 C ATOM 706 C GLY A 44 -19.877 1.104 -1.248 1.00 33.11 C ATOM 707 O GLY A 44 -20.098 2.042 -0.481 1.00 54.35 O ATOM 0 H GLY A 44 -20.687 -1.580 -2.725 1.00 34.45 H new ATOM 0 HA2 GLY A 44 -21.811 0.972 -2.182 1.00 24.13 H new ATOM 0 HA3 GLY A 44 -21.480 -0.318 -1.043 1.00 24.13 H new ATOM 711 N ILE A 45 -18.636 0.798 -1.626 1.00 33.32 N ATOM 712 CA ILE A 45 -17.443 1.545 -1.256 1.00 44.21 C ATOM 713 C ILE A 45 -17.535 2.991 -1.766 1.00 62.32 C ATOM 714 O ILE A 45 -18.048 3.261 -2.857 1.00 42.03 O ATOM 715 CB ILE A 45 -16.193 0.767 -1.736 1.00 61.34 C ATOM 716 CG1 ILE A 45 -14.852 1.433 -1.381 1.00 73.25 C ATOM 717 CG2 ILE A 45 -16.265 0.348 -3.208 1.00 4.15 C ATOM 718 CD1 ILE A 45 -14.276 2.362 -2.450 1.00 33.00 C ATOM 0 H ILE A 45 -18.431 -0.006 -2.219 1.00 33.32 H new ATOM 0 HA ILE A 45 -17.355 1.635 -0.173 1.00 44.21 H new ATOM 0 HB ILE A 45 -16.217 -0.153 -1.152 1.00 61.34 H new ATOM 0 HG12 ILE A 45 -14.981 2.003 -0.461 1.00 73.25 H new ATOM 0 HG13 ILE A 45 -14.122 0.651 -1.172 1.00 73.25 H new ATOM 0 HG21 ILE A 45 -15.357 -0.192 -3.477 1.00 4.15 H new ATOM 0 HG22 ILE A 45 -17.130 -0.297 -3.361 1.00 4.15 H new ATOM 0 HG23 ILE A 45 -16.359 1.235 -3.835 1.00 4.15 H new ATOM 0 HD11 ILE A 45 -13.332 2.778 -2.100 1.00 33.00 H new ATOM 0 HD12 ILE A 45 -14.106 1.799 -3.368 1.00 33.00 H new ATOM 0 HD13 ILE A 45 -14.979 3.172 -2.646 1.00 33.00 H new ATOM 730 N LYS A 46 -17.015 3.914 -0.961 1.00 54.53 N ATOM 731 CA LYS A 46 -16.864 5.339 -1.233 1.00 72.54 C ATOM 732 C LYS A 46 -15.398 5.570 -1.575 1.00 2.52 C ATOM 733 O LYS A 46 -14.531 5.048 -0.876 1.00 54.44 O ATOM 734 CB LYS A 46 -17.324 6.102 0.011 1.00 1.43 C ATOM 735 CG LYS A 46 -16.729 7.501 0.145 1.00 12.45 C ATOM 736 CD LYS A 46 -17.125 8.581 -0.865 1.00 15.33 C ATOM 737 CE LYS A 46 -18.426 9.293 -0.491 1.00 21.02 C ATOM 738 NZ LYS A 46 -18.526 10.598 -1.179 1.00 41.12 N ATOM 0 H LYS A 46 -16.663 3.667 -0.036 1.00 54.53 H new ATOM 0 HA LYS A 46 -17.467 5.692 -2.070 1.00 72.54 H new ATOM 0 HB2 LYS A 46 -18.411 6.182 -0.008 1.00 1.43 H new ATOM 0 HB3 LYS A 46 -17.062 5.522 0.896 1.00 1.43 H new ATOM 0 HG2 LYS A 46 -16.983 7.872 1.138 1.00 12.45 H new ATOM 0 HG3 LYS A 46 -15.644 7.401 0.110 1.00 12.45 H new ATOM 0 HD2 LYS A 46 -16.323 9.315 -0.939 1.00 15.33 H new ATOM 0 HD3 LYS A 46 -17.234 8.128 -1.850 1.00 15.33 H new ATOM 0 HE2 LYS A 46 -19.278 8.669 -0.760 1.00 21.02 H new ATOM 0 HE3 LYS A 46 -18.468 9.441 0.588 1.00 21.02 H new ATOM 0 HZ1 LYS A 46 -19.416 11.064 -0.911 1.00 41.12 H new ATOM 0 HZ2 LYS A 46 -17.723 11.199 -0.902 1.00 41.12 H new ATOM 0 HZ3 LYS A 46 -18.509 10.450 -2.208 1.00 41.12 H new ATOM 752 N ILE A 47 -15.114 6.365 -2.605 1.00 32.03 N ATOM 753 CA ILE A 47 -13.785 6.911 -2.833 1.00 31.21 C ATOM 754 C ILE A 47 -13.768 8.261 -2.125 1.00 15.15 C ATOM 755 O ILE A 47 -14.444 9.190 -2.568 1.00 73.54 O ATOM 756 CB ILE A 47 -13.478 7.052 -4.341 1.00 33.20 C ATOM 757 CG1 ILE A 47 -13.840 5.799 -5.167 1.00 21.13 C ATOM 758 CG2 ILE A 47 -11.999 7.433 -4.537 1.00 14.34 C ATOM 759 CD1 ILE A 47 -13.012 4.565 -4.804 1.00 61.33 C ATOM 0 H ILE A 47 -15.802 6.647 -3.303 1.00 32.03 H new ATOM 0 HA ILE A 47 -13.011 6.250 -2.443 1.00 31.21 H new ATOM 0 HB ILE A 47 -14.118 7.848 -4.722 1.00 33.20 H new ATOM 0 HG12 ILE A 47 -14.896 5.572 -5.023 1.00 21.13 H new ATOM 0 HG13 ILE A 47 -13.702 6.020 -6.226 1.00 21.13 H new ATOM 0 HG21 ILE A 47 -11.787 7.531 -5.602 1.00 14.34 H new ATOM 0 HG22 ILE A 47 -11.798 8.381 -4.038 1.00 14.34 H new ATOM 0 HG23 ILE A 47 -11.364 6.657 -4.111 1.00 14.34 H new ATOM 0 HD11 ILE A 47 -13.321 3.724 -5.424 1.00 61.33 H new ATOM 0 HD12 ILE A 47 -11.956 4.773 -4.975 1.00 61.33 H new ATOM 0 HD13 ILE A 47 -13.168 4.318 -3.754 1.00 61.33 H new ATOM 771 N GLN A 48 -13.046 8.355 -1.016 1.00 54.13 N ATOM 772 CA GLN A 48 -12.600 9.603 -0.414 1.00 34.25 C ATOM 773 C GLN A 48 -11.223 9.341 0.181 1.00 74.11 C ATOM 774 O GLN A 48 -10.642 8.288 -0.069 1.00 22.24 O ATOM 775 CB GLN A 48 -13.628 10.166 0.583 1.00 64.15 C ATOM 776 CG GLN A 48 -13.923 9.302 1.824 1.00 50.42 C ATOM 777 CD GLN A 48 -15.176 9.805 2.542 1.00 13.40 C ATOM 778 OE1 GLN A 48 -16.174 10.139 1.911 1.00 55.21 O ATOM 779 NE2 GLN A 48 -15.171 9.891 3.856 1.00 2.14 N ATOM 0 H GLN A 48 -12.744 7.533 -0.492 1.00 54.13 H new ATOM 0 HA GLN A 48 -12.516 10.394 -1.159 1.00 34.25 H new ATOM 0 HB2 GLN A 48 -13.277 11.141 0.921 1.00 64.15 H new ATOM 0 HB3 GLN A 48 -14.565 10.331 0.051 1.00 64.15 H new ATOM 0 HG2 GLN A 48 -14.060 8.262 1.526 1.00 50.42 H new ATOM 0 HG3 GLN A 48 -13.072 9.329 2.504 1.00 50.42 H new ATOM 0 HE21 GLN A 48 -14.342 9.614 4.382 1.00 2.14 H new ATOM 0 HE22 GLN A 48 -15.996 10.235 4.348 1.00 2.14 H new ATOM 788 N GLU A 49 -10.670 10.301 0.909 1.00 72.13 N ATOM 789 CA GLU A 49 -9.295 10.266 1.378 1.00 22.42 C ATOM 790 C GLU A 49 -9.320 10.183 2.905 1.00 72.45 C ATOM 791 O GLU A 49 -9.050 11.147 3.622 1.00 13.24 O ATOM 792 CB GLU A 49 -8.503 11.424 0.749 1.00 30.30 C ATOM 793 CG GLU A 49 -9.074 12.808 1.093 1.00 14.21 C ATOM 794 CD GLU A 49 -9.011 13.804 -0.059 1.00 13.23 C ATOM 795 OE1 GLU A 49 -9.573 13.547 -1.151 1.00 60.42 O ATOM 796 OE2 GLU A 49 -8.484 14.918 0.179 1.00 75.33 O ATOM 0 H GLU A 49 -11.175 11.140 1.194 1.00 72.13 H new ATOM 0 HA GLU A 49 -8.748 9.382 1.052 1.00 22.42 H new ATOM 0 HB2 GLU A 49 -7.468 11.372 1.086 1.00 30.30 H new ATOM 0 HB3 GLU A 49 -8.493 11.302 -0.334 1.00 30.30 H new ATOM 0 HG2 GLU A 49 -10.112 12.695 1.406 1.00 14.21 H new ATOM 0 HG3 GLU A 49 -8.527 13.215 1.943 1.00 14.21 H new ATOM 803 N GLY A 50 -9.703 9.008 3.393 1.00 45.30 N ATOM 804 CA GLY A 50 -9.767 8.621 4.792 1.00 64.25 C ATOM 805 C GLY A 50 -10.113 7.141 4.857 1.00 51.04 C ATOM 806 O GLY A 50 -10.338 6.513 3.821 1.00 73.22 O ATOM 0 H GLY A 50 -9.997 8.251 2.776 1.00 45.30 H new ATOM 0 HA2 GLY A 50 -8.813 8.811 5.284 1.00 64.25 H new ATOM 0 HA3 GLY A 50 -10.519 9.211 5.316 1.00 64.25 H new ATOM 810 N ILE A 51 -10.156 6.575 6.064 1.00 1.45 N ATOM 811 CA ILE A 51 -10.495 5.172 6.255 1.00 32.32 C ATOM 812 C ILE A 51 -11.904 4.953 5.709 1.00 44.41 C ATOM 813 O ILE A 51 -12.872 5.569 6.160 1.00 24.42 O ATOM 814 CB ILE A 51 -10.416 4.755 7.742 1.00 42.25 C ATOM 815 CG1 ILE A 51 -9.012 4.895 8.365 1.00 2.53 C ATOM 816 CG2 ILE A 51 -10.925 3.318 7.960 1.00 40.43 C ATOM 817 CD1 ILE A 51 -7.978 3.847 7.941 1.00 32.53 C ATOM 0 H ILE A 51 -9.957 7.077 6.930 1.00 1.45 H new ATOM 0 HA ILE A 51 -9.775 4.551 5.722 1.00 32.32 H new ATOM 0 HB ILE A 51 -11.068 5.462 8.255 1.00 42.25 H new ATOM 0 HG12 ILE A 51 -8.623 5.882 8.115 1.00 2.53 H new ATOM 0 HG13 ILE A 51 -9.113 4.858 9.450 1.00 2.53 H new ATOM 0 HG21 ILE A 51 -10.853 3.063 9.017 1.00 40.43 H new ATOM 0 HG22 ILE A 51 -11.964 3.248 7.640 1.00 40.43 H new ATOM 0 HG23 ILE A 51 -10.318 2.625 7.378 1.00 40.43 H new ATOM 0 HD11 ILE A 51 -7.031 4.047 8.442 1.00 32.53 H new ATOM 0 HD12 ILE A 51 -8.332 2.854 8.217 1.00 32.53 H new ATOM 0 HD13 ILE A 51 -7.834 3.894 6.862 1.00 32.53 H new ATOM 829 N VAL A 52 -12.016 4.025 4.775 1.00 5.13 N ATOM 830 CA VAL A 52 -13.257 3.517 4.248 1.00 23.51 C ATOM 831 C VAL A 52 -13.268 2.035 4.583 1.00 33.14 C ATOM 832 O VAL A 52 -12.558 1.240 3.973 1.00 54.30 O ATOM 833 CB VAL A 52 -13.356 3.802 2.742 1.00 11.42 C ATOM 834 CG1 VAL A 52 -14.631 3.135 2.220 1.00 60.22 C ATOM 835 CG2 VAL A 52 -13.395 5.308 2.439 1.00 53.33 C ATOM 0 H VAL A 52 -11.200 3.588 4.347 1.00 5.13 H new ATOM 0 HA VAL A 52 -14.131 4.001 4.684 1.00 23.51 H new ATOM 0 HB VAL A 52 -12.470 3.402 2.249 1.00 11.42 H new ATOM 0 HG11 VAL A 52 -14.727 3.321 1.150 1.00 60.22 H new ATOM 0 HG12 VAL A 52 -14.579 2.061 2.398 1.00 60.22 H new ATOM 0 HG13 VAL A 52 -15.496 3.547 2.739 1.00 60.22 H new ATOM 0 HG21 VAL A 52 -13.465 5.461 1.362 1.00 53.33 H new ATOM 0 HG22 VAL A 52 -14.262 5.755 2.926 1.00 53.33 H new ATOM 0 HG23 VAL A 52 -12.486 5.778 2.814 1.00 53.33 H new ATOM 845 N ASP A 53 -14.089 1.646 5.547 1.00 3.53 N ATOM 846 CA ASP A 53 -14.275 0.293 6.068 1.00 40.42 C ATOM 847 C ASP A 53 -14.881 -0.721 5.087 1.00 74.10 C ATOM 848 O ASP A 53 -15.325 -1.792 5.511 1.00 32.53 O ATOM 849 CB ASP A 53 -15.207 0.397 7.282 1.00 71.21 C ATOM 850 CG ASP A 53 -16.693 0.532 6.923 1.00 24.43 C ATOM 851 OD1 ASP A 53 -17.071 1.535 6.274 1.00 23.30 O ATOM 852 OD2 ASP A 53 -17.498 -0.337 7.342 1.00 31.23 O ATOM 0 H ASP A 53 -14.690 2.317 6.024 1.00 3.53 H new ATOM 0 HA ASP A 53 -13.280 -0.086 6.300 1.00 40.42 H new ATOM 0 HB2 ASP A 53 -15.074 -0.487 7.905 1.00 71.21 H new ATOM 0 HB3 ASP A 53 -14.910 1.257 7.882 1.00 71.21 H new ATOM 857 N TYR A 54 -14.928 -0.421 3.793 1.00 24.01 N ATOM 858 CA TYR A 54 -15.687 -1.190 2.817 1.00 1.22 C ATOM 859 C TYR A 54 -14.732 -2.141 2.099 1.00 54.00 C ATOM 860 O TYR A 54 -14.190 -1.797 1.045 1.00 71.24 O ATOM 861 CB TYR A 54 -16.477 -0.262 1.882 1.00 32.24 C ATOM 862 CG TYR A 54 -17.760 -0.894 1.375 1.00 70.42 C ATOM 863 CD1 TYR A 54 -17.750 -1.784 0.284 1.00 60.04 C ATOM 864 CD2 TYR A 54 -18.974 -0.610 2.026 1.00 22.23 C ATOM 865 CE1 TYR A 54 -18.951 -2.363 -0.173 1.00 2.20 C ATOM 866 CE2 TYR A 54 -20.174 -1.180 1.574 1.00 54.02 C ATOM 867 CZ TYR A 54 -20.170 -2.063 0.475 1.00 4.25 C ATOM 868 OH TYR A 54 -21.341 -2.600 0.049 1.00 0.30 O ATOM 0 H TYR A 54 -14.433 0.374 3.389 1.00 24.01 H new ATOM 0 HA TYR A 54 -16.445 -1.801 3.307 1.00 1.22 H new ATOM 0 HB2 TYR A 54 -16.716 0.661 2.410 1.00 32.24 H new ATOM 0 HB3 TYR A 54 -15.850 0.010 1.032 1.00 32.24 H new ATOM 0 HD1 TYR A 54 -16.817 -2.024 -0.205 1.00 60.04 H new ATOM 0 HD2 TYR A 54 -18.983 0.051 2.880 1.00 22.23 H new ATOM 0 HE1 TYR A 54 -18.939 -3.036 -1.018 1.00 2.20 H new ATOM 0 HE2 TYR A 54 -21.103 -0.942 2.070 1.00 54.02 H new ATOM 0 HH TYR A 54 -22.073 -2.281 0.617 1.00 0.30 H new ATOM 878 N GLY A 55 -14.473 -3.297 2.710 1.00 4.12 N ATOM 879 CA GLY A 55 -13.589 -4.329 2.196 1.00 74.31 C ATOM 880 C GLY A 55 -12.359 -4.534 3.066 1.00 21.43 C ATOM 881 O GLY A 55 -12.250 -5.549 3.760 1.00 44.53 O ATOM 0 H GLY A 55 -14.890 -3.544 3.607 1.00 4.12 H new ATOM 0 HA2 GLY A 55 -14.138 -5.268 2.122 1.00 74.31 H new ATOM 0 HA3 GLY A 55 -13.275 -4.063 1.187 1.00 74.31 H new ATOM 885 N VAL A 56 -11.413 -3.604 3.007 1.00 42.23 N ATOM 886 CA VAL A 56 -10.072 -3.771 3.567 1.00 32.13 C ATOM 887 C VAL A 56 -9.585 -2.479 4.229 1.00 30.21 C ATOM 888 O VAL A 56 -8.428 -2.063 4.101 1.00 51.43 O ATOM 889 CB VAL A 56 -9.085 -4.293 2.509 1.00 12.13 C ATOM 890 CG1 VAL A 56 -7.936 -4.941 3.268 1.00 72.25 C ATOM 891 CG2 VAL A 56 -9.642 -5.315 1.505 1.00 33.15 C ATOM 0 H VAL A 56 -11.556 -2.697 2.562 1.00 42.23 H new ATOM 0 HA VAL A 56 -10.125 -4.529 4.349 1.00 32.13 H new ATOM 0 HB VAL A 56 -8.801 -3.435 1.900 1.00 12.13 H new ATOM 0 HG11 VAL A 56 -7.205 -5.329 2.559 1.00 72.25 H new ATOM 0 HG12 VAL A 56 -7.461 -4.200 3.910 1.00 72.25 H new ATOM 0 HG13 VAL A 56 -8.319 -5.759 3.879 1.00 72.25 H new ATOM 0 HG21 VAL A 56 -8.855 -5.609 0.810 1.00 33.15 H new ATOM 0 HG22 VAL A 56 -9.999 -6.194 2.041 1.00 33.15 H new ATOM 0 HG23 VAL A 56 -10.467 -4.868 0.951 1.00 33.15 H new ATOM 901 N ARG A 57 -10.506 -1.808 4.914 1.00 45.43 N ATOM 902 CA ARG A 57 -10.257 -0.602 5.683 1.00 34.11 C ATOM 903 C ARG A 57 -9.356 0.398 4.941 1.00 72.44 C ATOM 904 O ARG A 57 -8.389 0.907 5.506 1.00 60.15 O ATOM 905 CB ARG A 57 -9.951 -0.896 7.178 1.00 60.32 C ATOM 906 CG ARG A 57 -9.266 -2.242 7.466 1.00 14.20 C ATOM 907 CD ARG A 57 -8.944 -2.506 8.948 1.00 63.30 C ATOM 908 NE ARG A 57 -10.156 -2.727 9.758 1.00 32.03 N ATOM 909 CZ ARG A 57 -10.228 -3.062 11.054 1.00 62.12 C ATOM 910 NH1 ARG A 57 -9.142 -3.282 11.788 1.00 24.05 N ATOM 911 NH2 ARG A 57 -11.423 -3.183 11.618 1.00 43.24 N ATOM 0 H ARG A 57 -11.482 -2.104 4.947 1.00 45.43 H new ATOM 0 HA ARG A 57 -11.188 -0.040 5.760 1.00 34.11 H new ATOM 0 HB2 ARG A 57 -9.318 -0.097 7.564 1.00 60.32 H new ATOM 0 HB3 ARG A 57 -10.887 -0.859 7.736 1.00 60.32 H new ATOM 0 HG2 ARG A 57 -9.908 -3.044 7.101 1.00 14.20 H new ATOM 0 HG3 ARG A 57 -8.339 -2.290 6.895 1.00 14.20 H new ATOM 0 HD2 ARG A 57 -8.295 -3.378 9.026 1.00 63.30 H new ATOM 0 HD3 ARG A 57 -8.390 -1.659 9.353 1.00 63.30 H new ATOM 0 HE ARG A 57 -11.046 -2.611 9.274 1.00 32.03 H new ATOM 0 HH11 ARG A 57 -8.217 -3.198 11.368 1.00 24.05 H new ATOM 0 HH12 ARG A 57 -9.234 -3.535 12.772 1.00 24.05 H new ATOM 0 HH21 ARG A 57 -12.266 -3.022 11.067 1.00 43.24 H new ATOM 0 HH22 ARG A 57 -11.499 -3.437 12.603 1.00 43.24 H new ATOM 925 N PHE A 58 -9.650 0.629 3.654 1.00 4.54 N ATOM 926 CA PHE A 58 -8.807 1.409 2.750 1.00 33.24 C ATOM 927 C PHE A 58 -8.626 2.804 3.334 1.00 10.23 C ATOM 928 O PHE A 58 -9.594 3.545 3.440 1.00 75.21 O ATOM 929 CB PHE A 58 -9.418 1.538 1.340 1.00 1.41 C ATOM 930 CG PHE A 58 -9.755 0.255 0.608 1.00 61.42 C ATOM 931 CD1 PHE A 58 -8.800 -0.770 0.498 1.00 74.34 C ATOM 932 CD2 PHE A 58 -11.027 0.088 0.026 1.00 41.55 C ATOM 933 CE1 PHE A 58 -9.124 -1.969 -0.163 1.00 12.43 C ATOM 934 CE2 PHE A 58 -11.372 -1.135 -0.573 1.00 72.01 C ATOM 935 CZ PHE A 58 -10.424 -2.167 -0.658 1.00 62.52 C ATOM 0 H PHE A 58 -10.495 0.271 3.209 1.00 4.54 H new ATOM 0 HA PHE A 58 -7.854 0.889 2.652 1.00 33.24 H new ATOM 0 HB2 PHE A 58 -10.330 2.130 1.421 1.00 1.41 H new ATOM 0 HB3 PHE A 58 -8.723 2.106 0.722 1.00 1.41 H new ATOM 0 HD1 PHE A 58 -7.815 -0.637 0.922 1.00 74.34 H new ATOM 0 HD2 PHE A 58 -11.738 0.901 0.040 1.00 41.55 H new ATOM 0 HE1 PHE A 58 -8.374 -2.736 -0.290 1.00 12.43 H new ATOM 0 HE2 PHE A 58 -12.366 -1.281 -0.968 1.00 72.01 H new ATOM 0 HZ PHE A 58 -10.694 -3.113 -1.104 1.00 62.52 H new ATOM 945 N PHE A 59 -7.402 3.170 3.706 1.00 53.21 N ATOM 946 CA PHE A 59 -7.106 4.516 4.211 1.00 40.42 C ATOM 947 C PHE A 59 -7.189 5.593 3.128 1.00 53.21 C ATOM 948 O PHE A 59 -7.389 6.774 3.403 1.00 13.44 O ATOM 949 CB PHE A 59 -5.709 4.531 4.839 1.00 41.10 C ATOM 950 CG PHE A 59 -5.312 5.873 5.422 1.00 13.30 C ATOM 951 CD1 PHE A 59 -6.193 6.554 6.282 1.00 41.31 C ATOM 952 CD2 PHE A 59 -4.088 6.467 5.068 1.00 41.32 C ATOM 953 CE1 PHE A 59 -5.859 7.817 6.790 1.00 24.34 C ATOM 954 CE2 PHE A 59 -3.741 7.725 5.599 1.00 33.22 C ATOM 955 CZ PHE A 59 -4.636 8.404 6.445 1.00 23.42 C ATOM 0 H PHE A 59 -6.592 2.552 3.668 1.00 53.21 H new ATOM 0 HA PHE A 59 -7.867 4.752 4.955 1.00 40.42 H new ATOM 0 HB2 PHE A 59 -5.667 3.777 5.625 1.00 41.10 H new ATOM 0 HB3 PHE A 59 -4.978 4.244 4.083 1.00 41.10 H new ATOM 0 HD1 PHE A 59 -7.135 6.100 6.553 1.00 41.31 H new ATOM 0 HD2 PHE A 59 -3.416 5.961 4.391 1.00 41.32 H new ATOM 0 HE1 PHE A 59 -6.543 8.336 7.445 1.00 24.34 H new ATOM 0 HE2 PHE A 59 -2.787 8.168 5.356 1.00 33.22 H new ATOM 0 HZ PHE A 59 -4.379 9.380 6.829 1.00 23.42 H new ATOM 965 N PHE A 60 -7.010 5.151 1.891 1.00 22.42 N ATOM 966 CA PHE A 60 -6.752 5.955 0.715 1.00 34.54 C ATOM 967 C PHE A 60 -5.569 6.917 0.927 1.00 4.41 C ATOM 968 O PHE A 60 -4.838 6.790 1.910 1.00 40.22 O ATOM 969 CB PHE A 60 -8.068 6.600 0.259 1.00 5.14 C ATOM 970 CG PHE A 60 -9.007 5.618 -0.415 1.00 60.35 C ATOM 971 CD1 PHE A 60 -8.666 5.136 -1.693 1.00 62.51 C ATOM 972 CD2 PHE A 60 -10.210 5.194 0.193 1.00 1.13 C ATOM 973 CE1 PHE A 60 -9.517 4.245 -2.362 1.00 42.24 C ATOM 974 CE2 PHE A 60 -11.070 4.315 -0.489 1.00 14.05 C ATOM 975 CZ PHE A 60 -10.720 3.840 -1.763 1.00 31.55 C ATOM 0 H PHE A 60 -7.044 4.155 1.673 1.00 22.42 H new ATOM 0 HA PHE A 60 -6.413 5.333 -0.114 1.00 34.54 H new ATOM 0 HB2 PHE A 60 -8.569 7.039 1.122 1.00 5.14 H new ATOM 0 HB3 PHE A 60 -7.847 7.415 -0.431 1.00 5.14 H new ATOM 0 HD1 PHE A 60 -7.745 5.454 -2.160 1.00 62.51 H new ATOM 0 HD2 PHE A 60 -10.469 5.545 1.181 1.00 1.13 H new ATOM 0 HE1 PHE A 60 -9.247 3.870 -3.338 1.00 42.24 H new ATOM 0 HE2 PHE A 60 -11.999 4.006 -0.033 1.00 14.05 H new ATOM 0 HZ PHE A 60 -11.379 3.161 -2.284 1.00 31.55 H new ATOM 985 N TYR A 61 -5.310 7.812 -0.033 1.00 43.33 N ATOM 986 CA TYR A 61 -4.792 9.171 0.165 1.00 61.44 C ATOM 987 C TYR A 61 -4.716 9.892 -1.179 1.00 64.41 C ATOM 988 O TYR A 61 -4.746 9.252 -2.233 1.00 3.22 O ATOM 989 CB TYR A 61 -3.404 9.246 0.826 1.00 75.24 C ATOM 990 CG TYR A 61 -3.384 10.329 1.879 1.00 30.13 C ATOM 991 CD1 TYR A 61 -3.878 10.056 3.169 1.00 42.33 C ATOM 992 CD2 TYR A 61 -2.933 11.621 1.559 1.00 71.00 C ATOM 993 CE1 TYR A 61 -3.897 11.067 4.148 1.00 61.33 C ATOM 994 CE2 TYR A 61 -2.989 12.637 2.521 1.00 25.21 C ATOM 995 CZ TYR A 61 -3.468 12.370 3.818 1.00 25.51 C ATOM 996 OH TYR A 61 -3.515 13.367 4.741 1.00 51.31 O ATOM 0 H TYR A 61 -5.464 7.598 -1.018 1.00 43.33 H new ATOM 0 HA TYR A 61 -5.493 9.646 0.851 1.00 61.44 H new ATOM 0 HB2 TYR A 61 -3.156 8.285 1.278 1.00 75.24 H new ATOM 0 HB3 TYR A 61 -2.644 9.449 0.071 1.00 75.24 H new ATOM 0 HD1 TYR A 61 -4.243 9.068 3.408 1.00 42.33 H new ATOM 0 HD2 TYR A 61 -2.544 11.830 0.573 1.00 71.00 H new ATOM 0 HE1 TYR A 61 -4.239 10.846 5.148 1.00 61.33 H new ATOM 0 HE2 TYR A 61 -2.662 13.634 2.266 1.00 25.21 H new ATOM 0 HH TYR A 61 -3.180 14.198 4.343 1.00 51.31 H new ATOM 1006 N THR A 62 -4.572 11.212 -1.143 1.00 24.01 N ATOM 1007 CA THR A 62 -4.404 12.067 -2.307 1.00 45.05 C ATOM 1008 C THR A 62 -2.935 12.143 -2.730 1.00 73.14 C ATOM 1009 O THR A 62 -2.072 12.445 -1.909 1.00 23.34 O ATOM 1010 CB THR A 62 -4.984 13.458 -1.973 1.00 63.43 C ATOM 1011 OG1 THR A 62 -4.863 13.811 -0.597 1.00 20.34 O ATOM 1012 CG2 THR A 62 -6.474 13.404 -2.311 1.00 62.32 C ATOM 0 H THR A 62 -4.569 11.734 -0.267 1.00 24.01 H new ATOM 0 HA THR A 62 -4.942 11.650 -3.158 1.00 45.05 H new ATOM 0 HB THR A 62 -4.428 14.202 -2.543 1.00 63.43 H new ATOM 0 HG1 THR A 62 -4.307 14.614 -0.513 1.00 20.34 H new ATOM 0 HG21 THR A 62 -6.932 14.368 -2.091 1.00 62.32 H new ATOM 0 HG22 THR A 62 -6.599 13.175 -3.369 1.00 62.32 H new ATOM 0 HG23 THR A 62 -6.955 12.630 -1.713 1.00 62.32 H new ATOM 1020 N SER A 63 -2.655 11.927 -4.021 1.00 31.51 N ATOM 1021 CA SER A 63 -1.339 12.078 -4.647 1.00 52.30 C ATOM 1022 C SER A 63 -0.744 13.484 -4.458 1.00 60.10 C ATOM 1023 O SER A 63 0.476 13.648 -4.536 1.00 54.32 O ATOM 1024 CB SER A 63 -1.517 11.703 -6.127 1.00 41.01 C ATOM 1025 OG SER A 63 -0.465 12.096 -6.986 1.00 55.23 O ATOM 0 H SER A 63 -3.370 11.630 -4.684 1.00 31.51 H new ATOM 0 HA SER A 63 -0.612 11.421 -4.169 1.00 52.30 H new ATOM 0 HB2 SER A 63 -1.636 10.622 -6.198 1.00 41.01 H new ATOM 0 HB3 SER A 63 -2.443 12.150 -6.488 1.00 41.01 H new ATOM 0 HG SER A 63 0.378 11.709 -6.669 1.00 55.23 H new ATOM 1031 N LYS A 64 -1.596 14.482 -4.202 1.00 62.44 N ATOM 1032 CA LYS A 64 -1.250 15.872 -3.958 1.00 12.34 C ATOM 1033 C LYS A 64 -0.246 15.981 -2.816 1.00 12.14 C ATOM 1034 O LYS A 64 0.706 16.761 -2.900 1.00 41.44 O ATOM 1035 CB LYS A 64 -2.573 16.598 -3.659 1.00 71.11 C ATOM 1036 CG LYS A 64 -2.432 18.040 -3.150 1.00 44.23 C ATOM 1037 CD LYS A 64 -2.839 18.170 -1.685 1.00 44.30 C ATOM 1038 CE LYS A 64 -4.330 17.902 -1.428 1.00 32.34 C ATOM 1039 NZ LYS A 64 -4.595 17.813 0.019 1.00 34.32 N ATOM 0 H LYS A 64 -2.603 14.324 -4.159 1.00 62.44 H new ATOM 0 HA LYS A 64 -0.762 16.330 -4.818 1.00 12.34 H new ATOM 0 HB2 LYS A 64 -3.175 16.608 -4.567 1.00 71.11 H new ATOM 0 HB3 LYS A 64 -3.125 16.021 -2.917 1.00 71.11 H new ATOM 0 HG2 LYS A 64 -1.399 18.368 -3.270 1.00 44.23 H new ATOM 0 HG3 LYS A 64 -3.049 18.701 -3.758 1.00 44.23 H new ATOM 0 HD2 LYS A 64 -2.247 17.474 -1.090 1.00 44.30 H new ATOM 0 HD3 LYS A 64 -2.595 19.174 -1.338 1.00 44.30 H new ATOM 0 HE2 LYS A 64 -4.930 18.700 -1.865 1.00 32.34 H new ATOM 0 HE3 LYS A 64 -4.629 16.974 -1.916 1.00 32.34 H new ATOM 0 HZ1 LYS A 64 -4.970 16.870 0.246 1.00 34.32 H new ATOM 0 HZ2 LYS A 64 -3.711 17.969 0.544 1.00 34.32 H new ATOM 0 HZ3 LYS A 64 -5.291 18.537 0.290 1.00 34.32 H new ATOM 1053 N GLU A 65 -0.469 15.231 -1.736 1.00 51.31 N ATOM 1054 CA GLU A 65 0.425 15.286 -0.597 1.00 62.45 C ATOM 1055 C GLU A 65 1.776 14.652 -0.950 1.00 45.11 C ATOM 1056 O GLU A 65 1.831 13.772 -1.821 1.00 54.14 O ATOM 1057 CB GLU A 65 -0.184 14.536 0.599 1.00 72.24 C ATOM 1058 CG GLU A 65 -0.869 15.483 1.585 1.00 64.43 C ATOM 1059 CD GLU A 65 -2.291 15.918 1.200 1.00 64.54 C ATOM 1060 OE1 GLU A 65 -2.899 15.417 0.224 1.00 2.34 O ATOM 1061 OE2 GLU A 65 -2.839 16.765 1.944 1.00 53.10 O ATOM 0 H GLU A 65 -1.254 14.588 -1.633 1.00 51.31 H new ATOM 0 HA GLU A 65 0.572 16.333 -0.331 1.00 62.45 H new ATOM 0 HB2 GLU A 65 -0.907 13.805 0.237 1.00 72.24 H new ATOM 0 HB3 GLU A 65 0.599 13.981 1.115 1.00 72.24 H new ATOM 0 HG2 GLU A 65 -0.907 14.999 2.561 1.00 64.43 H new ATOM 0 HG3 GLU A 65 -0.252 16.375 1.695 1.00 64.43 H new ATOM 1068 N PRO A 66 2.856 15.007 -0.231 1.00 71.20 N ATOM 1069 CA PRO A 66 4.095 14.251 -0.301 1.00 14.43 C ATOM 1070 C PRO A 66 3.850 12.853 0.267 1.00 10.22 C ATOM 1071 O PRO A 66 3.108 12.706 1.240 1.00 1.13 O ATOM 1072 CB PRO A 66 5.112 15.027 0.539 1.00 5.25 C ATOM 1073 CG PRO A 66 4.295 15.933 1.458 1.00 63.34 C ATOM 1074 CD PRO A 66 2.892 15.984 0.850 1.00 11.00 C ATOM 0 HA PRO A 66 4.462 14.132 -1.321 1.00 14.43 H new ATOM 0 HB2 PRO A 66 5.739 14.349 1.117 1.00 5.25 H new ATOM 0 HB3 PRO A 66 5.777 15.613 -0.096 1.00 5.25 H new ATOM 0 HG2 PRO A 66 4.267 15.538 2.473 1.00 63.34 H new ATOM 0 HG3 PRO A 66 4.733 16.929 1.516 1.00 63.34 H new ATOM 0 HD2 PRO A 66 2.138 15.753 1.602 1.00 11.00 H new ATOM 0 HD3 PRO A 66 2.672 16.983 0.474 1.00 11.00 H new ATOM 1082 N VAL A 67 4.541 11.848 -0.273 1.00 4.23 N ATOM 1083 CA VAL A 67 4.566 10.472 0.227 1.00 55.11 C ATOM 1084 C VAL A 67 4.855 10.512 1.733 1.00 64.24 C ATOM 1085 O VAL A 67 4.168 9.876 2.532 1.00 42.43 O ATOM 1086 CB VAL A 67 5.640 9.672 -0.553 1.00 20.45 C ATOM 1087 CG1 VAL A 67 5.794 8.228 -0.060 1.00 22.31 C ATOM 1088 CG2 VAL A 67 5.373 9.608 -2.066 1.00 40.02 C ATOM 0 H VAL A 67 5.121 11.975 -1.102 1.00 4.23 H new ATOM 0 HA VAL A 67 3.608 9.974 0.075 1.00 55.11 H new ATOM 0 HB VAL A 67 6.556 10.231 -0.363 1.00 20.45 H new ATOM 0 HG11 VAL A 67 6.561 7.723 -0.647 1.00 22.31 H new ATOM 0 HG12 VAL A 67 6.085 8.231 0.991 1.00 22.31 H new ATOM 0 HG13 VAL A 67 4.846 7.702 -0.172 1.00 22.31 H new ATOM 0 HG21 VAL A 67 6.162 9.034 -2.551 1.00 40.02 H new ATOM 0 HG22 VAL A 67 4.412 9.127 -2.246 1.00 40.02 H new ATOM 0 HG23 VAL A 67 5.356 10.618 -2.475 1.00 40.02 H new ATOM 1098 N ALA A 68 5.833 11.331 2.130 1.00 53.22 N ATOM 1099 CA ALA A 68 6.269 11.469 3.507 1.00 11.23 C ATOM 1100 C ALA A 68 5.172 11.933 4.472 1.00 33.33 C ATOM 1101 O ALA A 68 5.250 11.585 5.654 1.00 63.12 O ATOM 1102 CB ALA A 68 7.479 12.404 3.533 1.00 64.44 C ATOM 0 H ALA A 68 6.350 11.926 1.483 1.00 53.22 H new ATOM 0 HA ALA A 68 6.541 10.479 3.873 1.00 11.23 H new ATOM 0 HB1 ALA A 68 7.825 12.523 4.560 1.00 64.44 H new ATOM 0 HB2 ALA A 68 8.280 11.980 2.927 1.00 64.44 H new ATOM 0 HB3 ALA A 68 7.196 13.377 3.130 1.00 64.44 H new ATOM 1108 N SER A 69 4.148 12.653 4.006 1.00 52.41 N ATOM 1109 CA SER A 69 2.998 12.999 4.834 1.00 22.23 C ATOM 1110 C SER A 69 2.258 11.720 5.245 1.00 15.02 C ATOM 1111 O SER A 69 2.006 11.497 6.433 1.00 43.25 O ATOM 1112 CB SER A 69 2.097 13.969 4.060 1.00 71.31 C ATOM 1113 OG SER A 69 1.065 14.496 4.862 1.00 20.00 O ATOM 0 H SER A 69 4.096 13.008 3.051 1.00 52.41 H new ATOM 0 HA SER A 69 3.318 13.498 5.749 1.00 22.23 H new ATOM 0 HB2 SER A 69 2.701 14.786 3.666 1.00 71.31 H new ATOM 0 HB3 SER A 69 1.662 13.453 3.204 1.00 71.31 H new ATOM 0 HG SER A 69 0.517 15.110 4.329 1.00 20.00 H new ATOM 1119 N ILE A 70 1.941 10.857 4.273 1.00 5.21 N ATOM 1120 CA ILE A 70 1.152 9.648 4.475 1.00 71.32 C ATOM 1121 C ILE A 70 1.855 8.710 5.468 1.00 60.22 C ATOM 1122 O ILE A 70 1.180 8.088 6.290 1.00 10.35 O ATOM 1123 CB ILE A 70 0.866 8.949 3.121 1.00 4.21 C ATOM 1124 CG1 ILE A 70 -0.106 9.750 2.231 1.00 34.01 C ATOM 1125 CG2 ILE A 70 0.214 7.573 3.328 1.00 43.14 C ATOM 1126 CD1 ILE A 70 0.490 10.950 1.500 1.00 1.21 C ATOM 0 H ILE A 70 2.235 10.987 3.305 1.00 5.21 H new ATOM 0 HA ILE A 70 0.190 9.922 4.907 1.00 71.32 H new ATOM 0 HB ILE A 70 1.840 8.865 2.639 1.00 4.21 H new ATOM 0 HG12 ILE A 70 -0.531 9.073 1.490 1.00 34.01 H new ATOM 0 HG13 ILE A 70 -0.930 10.101 2.852 1.00 34.01 H new ATOM 0 HG21 ILE A 70 0.027 7.110 2.359 1.00 43.14 H new ATOM 0 HG22 ILE A 70 0.881 6.938 3.911 1.00 43.14 H new ATOM 0 HG23 ILE A 70 -0.729 7.694 3.861 1.00 43.14 H new ATOM 0 HD11 ILE A 70 -0.284 11.436 0.906 1.00 1.21 H new ATOM 0 HD12 ILE A 70 0.887 11.658 2.227 1.00 1.21 H new ATOM 0 HD13 ILE A 70 1.293 10.614 0.844 1.00 1.21 H new ATOM 1138 N ILE A 71 3.190 8.638 5.441 1.00 5.33 N ATOM 1139 CA ILE A 71 3.974 7.807 6.356 1.00 64.21 C ATOM 1140 C ILE A 71 3.560 8.108 7.802 1.00 50.10 C ATOM 1141 O ILE A 71 3.353 7.190 8.596 1.00 32.32 O ATOM 1142 CB ILE A 71 5.488 8.033 6.123 1.00 0.11 C ATOM 1143 CG1 ILE A 71 5.912 7.615 4.699 1.00 12.33 C ATOM 1144 CG2 ILE A 71 6.356 7.241 7.112 1.00 43.22 C ATOM 1145 CD1 ILE A 71 7.383 7.909 4.373 1.00 64.13 C ATOM 0 H ILE A 71 3.761 9.161 4.776 1.00 5.33 H new ATOM 0 HA ILE A 71 3.774 6.753 6.162 1.00 64.21 H new ATOM 0 HB ILE A 71 5.646 9.101 6.270 1.00 0.11 H new ATOM 0 HG12 ILE A 71 5.730 6.547 4.576 1.00 12.33 H new ATOM 0 HG13 ILE A 71 5.280 8.132 3.977 1.00 12.33 H new ATOM 0 HG21 ILE A 71 7.409 7.433 6.907 1.00 43.22 H new ATOM 0 HG22 ILE A 71 6.122 7.551 8.130 1.00 43.22 H new ATOM 0 HG23 ILE A 71 6.154 6.176 7.001 1.00 43.22 H new ATOM 0 HD11 ILE A 71 7.602 7.586 3.355 1.00 64.13 H new ATOM 0 HD12 ILE A 71 7.568 8.979 4.462 1.00 64.13 H new ATOM 0 HD13 ILE A 71 8.025 7.370 5.070 1.00 64.13 H new ATOM 1157 N THR A 72 3.422 9.387 8.157 1.00 54.21 N ATOM 1158 CA THR A 72 3.056 9.780 9.515 1.00 71.43 C ATOM 1159 C THR A 72 1.656 9.277 9.915 1.00 64.11 C ATOM 1160 O THR A 72 1.426 8.977 11.086 1.00 40.31 O ATOM 1161 CB THR A 72 3.206 11.303 9.647 1.00 60.44 C ATOM 1162 OG1 THR A 72 4.483 11.690 9.161 1.00 32.13 O ATOM 1163 CG2 THR A 72 3.100 11.765 11.100 1.00 73.42 C ATOM 0 H THR A 72 3.559 10.170 7.518 1.00 54.21 H new ATOM 0 HA THR A 72 3.734 9.301 10.222 1.00 71.43 H new ATOM 0 HB THR A 72 2.401 11.761 9.072 1.00 60.44 H new ATOM 0 HG1 THR A 72 4.583 12.662 9.241 1.00 32.13 H new ATOM 0 HG21 THR A 72 3.212 12.848 11.146 1.00 73.42 H new ATOM 0 HG22 THR A 72 2.127 11.483 11.501 1.00 73.42 H new ATOM 0 HG23 THR A 72 3.886 11.294 11.690 1.00 73.42 H new ATOM 1171 N LYS A 73 0.737 9.115 8.961 1.00 1.22 N ATOM 1172 CA LYS A 73 -0.611 8.617 9.198 1.00 20.42 C ATOM 1173 C LYS A 73 -0.533 7.172 9.681 1.00 0.35 C ATOM 1174 O LYS A 73 -1.018 6.832 10.759 1.00 44.14 O ATOM 1175 CB LYS A 73 -1.444 8.718 7.906 1.00 31.24 C ATOM 1176 CG LYS A 73 -1.330 10.043 7.134 1.00 61.44 C ATOM 1177 CD LYS A 73 -2.102 11.153 7.822 1.00 52.02 C ATOM 1178 CE LYS A 73 -1.699 12.507 7.240 1.00 31.41 C ATOM 1179 NZ LYS A 73 -2.670 13.539 7.654 1.00 1.21 N ATOM 0 H LYS A 73 0.918 9.333 7.981 1.00 1.22 H new ATOM 0 HA LYS A 73 -1.098 9.220 9.964 1.00 20.42 H new ATOM 0 HB2 LYS A 73 -1.148 7.906 7.242 1.00 31.24 H new ATOM 0 HB3 LYS A 73 -2.492 8.556 8.159 1.00 31.24 H new ATOM 0 HG2 LYS A 73 -0.281 10.327 7.048 1.00 61.44 H new ATOM 0 HG3 LYS A 73 -1.708 9.909 6.120 1.00 61.44 H new ATOM 0 HD2 LYS A 73 -3.173 10.997 7.693 1.00 52.02 H new ATOM 0 HD3 LYS A 73 -1.904 11.135 8.894 1.00 52.02 H new ATOM 0 HE2 LYS A 73 -0.700 12.777 7.582 1.00 31.41 H new ATOM 0 HE3 LYS A 73 -1.659 12.448 6.152 1.00 31.41 H new ATOM 0 HZ1 LYS A 73 -3.252 13.816 6.838 1.00 1.21 H new ATOM 0 HZ2 LYS A 73 -3.283 13.158 8.403 1.00 1.21 H new ATOM 0 HZ3 LYS A 73 -2.160 14.371 8.014 1.00 1.21 H new ATOM 1193 N LEU A 74 0.141 6.328 8.902 1.00 62.23 N ATOM 1194 CA LEU A 74 0.368 4.924 9.210 1.00 54.32 C ATOM 1195 C LEU A 74 1.173 4.752 10.495 1.00 61.14 C ATOM 1196 O LEU A 74 0.941 3.810 11.252 1.00 2.32 O ATOM 1197 CB LEU A 74 1.151 4.306 8.057 1.00 22.02 C ATOM 1198 CG LEU A 74 0.322 3.759 6.891 1.00 41.20 C ATOM 1199 CD1 LEU A 74 -0.989 4.474 6.520 1.00 41.04 C ATOM 1200 CD2 LEU A 74 1.264 3.645 5.687 1.00 63.51 C ATOM 0 H LEU A 74 0.555 6.614 8.015 1.00 62.23 H new ATOM 0 HA LEU A 74 -0.597 4.437 9.347 1.00 54.32 H new ATOM 0 HB2 LEU A 74 1.836 5.058 7.666 1.00 22.02 H new ATOM 0 HB3 LEU A 74 1.761 3.494 8.454 1.00 22.02 H new ATOM 0 HG LEU A 74 -0.068 2.800 7.231 1.00 41.20 H new ATOM 0 HD11 LEU A 74 -1.455 3.965 5.676 1.00 41.04 H new ATOM 0 HD12 LEU A 74 -1.667 4.457 7.373 1.00 41.04 H new ATOM 0 HD13 LEU A 74 -0.775 5.507 6.247 1.00 41.04 H new ATOM 0 HD21 LEU A 74 0.713 3.258 4.830 1.00 63.51 H new ATOM 0 HD22 LEU A 74 1.666 4.629 5.445 1.00 63.51 H new ATOM 0 HD23 LEU A 74 2.083 2.967 5.929 1.00 63.51 H new ATOM 1212 N ASN A 75 2.139 5.634 10.738 1.00 45.04 N ATOM 1213 CA ASN A 75 2.888 5.639 11.994 1.00 20.03 C ATOM 1214 C ASN A 75 1.949 5.829 13.182 1.00 25.24 C ATOM 1215 O ASN A 75 2.170 5.209 14.220 1.00 12.30 O ATOM 1216 CB ASN A 75 3.936 6.756 12.052 1.00 54.43 C ATOM 1217 CG ASN A 75 5.199 6.504 11.254 1.00 24.52 C ATOM 1218 OD1 ASN A 75 5.355 5.488 10.592 1.00 72.02 O ATOM 1219 ND2 ASN A 75 6.167 7.402 11.350 1.00 12.34 N ATOM 0 H ASN A 75 2.423 6.358 10.079 1.00 45.04 H new ATOM 0 HA ASN A 75 3.392 4.674 12.042 1.00 20.03 H new ATOM 0 HB2 ASN A 75 3.479 7.679 11.695 1.00 54.43 H new ATOM 0 HB3 ASN A 75 4.211 6.919 13.094 1.00 54.43 H new ATOM 0 HD21 ASN A 75 7.053 7.250 10.869 1.00 12.34 H new ATOM 0 HD22 ASN A 75 6.026 8.246 11.905 1.00 12.34 H new ATOM 1226 N SER A 76 0.943 6.693 13.049 1.00 34.32 N ATOM 1227 CA SER A 76 -0.067 6.931 14.059 1.00 2.41 C ATOM 1228 C SER A 76 -0.973 5.706 14.209 1.00 64.35 C ATOM 1229 O SER A 76 -1.198 5.263 15.335 1.00 12.50 O ATOM 1230 CB SER A 76 -0.835 8.195 13.669 1.00 52.13 C ATOM 1231 OG SER A 76 -0.441 9.276 14.494 1.00 70.33 O ATOM 0 H SER A 76 0.812 7.258 12.210 1.00 34.32 H new ATOM 0 HA SER A 76 0.387 7.089 15.037 1.00 2.41 H new ATOM 0 HB2 SER A 76 -0.646 8.437 12.623 1.00 52.13 H new ATOM 0 HB3 SER A 76 -1.907 8.024 13.767 1.00 52.13 H new ATOM 0 HG SER A 76 -0.936 10.082 14.236 1.00 70.33 H new ATOM 1237 N LEU A 77 -1.446 5.128 13.096 1.00 45.41 N ATOM 1238 CA LEU A 77 -2.272 3.922 13.115 1.00 70.43 C ATOM 1239 C LEU A 77 -1.571 2.751 13.787 1.00 10.54 C ATOM 1240 O LEU A 77 -2.252 1.932 14.401 1.00 50.24 O ATOM 1241 CB LEU A 77 -2.633 3.463 11.700 1.00 73.32 C ATOM 1242 CG LEU A 77 -3.752 4.237 11.000 1.00 10.54 C ATOM 1243 CD1 LEU A 77 -3.996 3.528 9.668 1.00 11.35 C ATOM 1244 CD2 LEU A 77 -5.049 4.253 11.812 1.00 61.01 C ATOM 0 H LEU A 77 -1.264 5.487 12.159 1.00 45.41 H new ATOM 0 HA LEU A 77 -3.165 4.199 13.675 1.00 70.43 H new ATOM 0 HB2 LEU A 77 -1.737 3.523 11.082 1.00 73.32 H new ATOM 0 HB3 LEU A 77 -2.920 2.412 11.744 1.00 73.32 H new ATOM 0 HG LEU A 77 -3.453 5.277 10.873 1.00 10.54 H new ATOM 0 HD11 LEU A 77 -4.789 4.040 9.123 1.00 11.35 H new ATOM 0 HD12 LEU A 77 -3.081 3.542 9.076 1.00 11.35 H new ATOM 0 HD13 LEU A 77 -4.292 2.496 9.854 1.00 11.35 H new ATOM 0 HD21 LEU A 77 -5.810 4.815 11.271 1.00 61.01 H new ATOM 0 HD22 LEU A 77 -5.394 3.231 11.967 1.00 61.01 H new ATOM 0 HD23 LEU A 77 -4.868 4.725 12.778 1.00 61.01 H new ATOM 1256 N ASN A 78 -0.243 2.677 13.685 1.00 51.25 N ATOM 1257 CA ASN A 78 0.610 1.689 14.343 1.00 32.44 C ATOM 1258 C ASN A 78 0.098 0.256 14.116 1.00 5.33 C ATOM 1259 O ASN A 78 -0.034 -0.546 15.044 1.00 44.12 O ATOM 1260 CB ASN A 78 0.776 2.077 15.827 1.00 21.41 C ATOM 1261 CG ASN A 78 2.005 1.453 16.478 1.00 61.34 C ATOM 1262 OD1 ASN A 78 2.618 0.530 15.952 1.00 44.43 O ATOM 1263 ND2 ASN A 78 2.431 1.986 17.608 1.00 53.52 N ATOM 0 H ASN A 78 0.290 3.334 13.116 1.00 51.25 H new ATOM 0 HA ASN A 78 1.604 1.694 13.895 1.00 32.44 H new ATOM 0 HB2 ASN A 78 0.842 3.162 15.907 1.00 21.41 H new ATOM 0 HB3 ASN A 78 -0.114 1.771 16.377 1.00 21.41 H new ATOM 0 HD21 ASN A 78 3.278 1.631 18.052 1.00 53.52 H new ATOM 0 HD22 ASN A 78 1.914 2.753 18.037 1.00 53.52 H new ATOM 1270 N GLU A 79 -0.237 -0.059 12.866 1.00 11.01 N ATOM 1271 CA GLU A 79 -0.757 -1.337 12.400 1.00 44.25 C ATOM 1272 C GLU A 79 0.096 -1.881 11.245 1.00 53.14 C ATOM 1273 O GLU A 79 0.672 -1.079 10.509 1.00 53.04 O ATOM 1274 CB GLU A 79 -2.181 -1.087 11.891 1.00 53.11 C ATOM 1275 CG GLU A 79 -3.228 -1.321 12.974 1.00 65.15 C ATOM 1276 CD GLU A 79 -3.372 -2.808 13.289 1.00 64.33 C ATOM 1277 OE1 GLU A 79 -3.919 -3.561 12.451 1.00 41.14 O ATOM 1278 OE2 GLU A 79 -2.870 -3.270 14.343 1.00 74.15 O ATOM 0 H GLU A 79 -0.146 0.616 12.107 1.00 11.01 H new ATOM 0 HA GLU A 79 -0.740 -2.065 13.211 1.00 44.25 H new ATOM 0 HB2 GLU A 79 -2.260 -0.063 11.526 1.00 53.11 H new ATOM 0 HB3 GLU A 79 -2.383 -1.743 11.045 1.00 53.11 H new ATOM 0 HG2 GLU A 79 -2.947 -0.780 13.878 1.00 65.15 H new ATOM 0 HG3 GLU A 79 -4.188 -0.921 12.648 1.00 65.15 H new ATOM 1285 N PRO A 80 0.127 -3.207 11.013 1.00 42.23 N ATOM 1286 CA PRO A 80 0.706 -3.799 9.814 1.00 43.11 C ATOM 1287 C PRO A 80 -0.119 -3.424 8.584 1.00 54.53 C ATOM 1288 O PRO A 80 -1.338 -3.623 8.585 1.00 24.34 O ATOM 1289 CB PRO A 80 0.670 -5.316 10.033 1.00 11.23 C ATOM 1290 CG PRO A 80 -0.504 -5.503 10.989 1.00 5.32 C ATOM 1291 CD PRO A 80 -0.482 -4.238 11.834 1.00 21.20 C ATOM 0 HA PRO A 80 1.722 -3.442 9.644 1.00 43.11 H new ATOM 0 HB2 PRO A 80 0.517 -5.854 9.098 1.00 11.23 H new ATOM 0 HB3 PRO A 80 1.602 -5.683 10.463 1.00 11.23 H new ATOM 0 HG2 PRO A 80 -1.446 -5.610 10.451 1.00 5.32 H new ATOM 0 HG3 PRO A 80 -0.384 -6.397 11.602 1.00 5.32 H new ATOM 0 HD2 PRO A 80 -1.491 -3.952 12.131 1.00 21.20 H new ATOM 0 HD3 PRO A 80 0.089 -4.393 12.750 1.00 21.20 H new ATOM 1299 N LEU A 81 0.527 -2.906 7.539 1.00 52.45 N ATOM 1300 CA LEU A 81 -0.093 -2.634 6.254 1.00 30.01 C ATOM 1301 C LEU A 81 0.345 -3.673 5.236 1.00 33.43 C ATOM 1302 O LEU A 81 1.330 -4.385 5.433 1.00 21.51 O ATOM 1303 CB LEU A 81 0.333 -1.264 5.707 1.00 51.12 C ATOM 1304 CG LEU A 81 0.286 -0.076 6.669 1.00 21.51 C ATOM 1305 CD1 LEU A 81 -0.954 -0.065 7.561 1.00 34.41 C ATOM 1306 CD2 LEU A 81 1.582 0.081 7.456 1.00 40.14 C ATOM 0 H LEU A 81 1.517 -2.661 7.569 1.00 52.45 H new ATOM 0 HA LEU A 81 -1.172 -2.657 6.408 1.00 30.01 H new ATOM 0 HB2 LEU A 81 1.353 -1.353 5.332 1.00 51.12 H new ATOM 0 HB3 LEU A 81 -0.302 -1.030 4.852 1.00 51.12 H new ATOM 0 HG LEU A 81 0.194 0.811 6.042 1.00 21.51 H new ATOM 0 HD11 LEU A 81 -0.922 0.804 8.218 1.00 34.41 H new ATOM 0 HD12 LEU A 81 -1.849 -0.018 6.940 1.00 34.41 H new ATOM 0 HD13 LEU A 81 -0.977 -0.974 8.163 1.00 34.41 H new ATOM 0 HD21 LEU A 81 1.500 0.938 8.125 1.00 40.14 H new ATOM 0 HD22 LEU A 81 1.764 -0.820 8.041 1.00 40.14 H new ATOM 0 HD23 LEU A 81 2.410 0.238 6.765 1.00 40.14 H new ATOM 1318 N VAL A 82 -0.317 -3.654 4.087 1.00 2.31 N ATOM 1319 CA VAL A 82 0.048 -4.401 2.891 1.00 74.51 C ATOM 1320 C VAL A 82 -0.192 -3.454 1.704 1.00 34.24 C ATOM 1321 O VAL A 82 -1.337 -3.093 1.433 1.00 14.30 O ATOM 1322 CB VAL A 82 -0.753 -5.732 2.823 1.00 30.54 C ATOM 1323 CG1 VAL A 82 -0.343 -6.566 1.605 1.00 53.53 C ATOM 1324 CG2 VAL A 82 -0.634 -6.620 4.074 1.00 3.32 C ATOM 0 H VAL A 82 -1.159 -3.093 3.958 1.00 2.31 H new ATOM 0 HA VAL A 82 1.093 -4.710 2.885 1.00 74.51 H new ATOM 0 HB VAL A 82 -1.792 -5.411 2.748 1.00 30.54 H new ATOM 0 HG11 VAL A 82 -0.921 -7.490 1.586 1.00 53.53 H new ATOM 0 HG12 VAL A 82 -0.535 -5.999 0.694 1.00 53.53 H new ATOM 0 HG13 VAL A 82 0.719 -6.803 1.667 1.00 53.53 H new ATOM 0 HG21 VAL A 82 -1.225 -7.525 3.935 1.00 3.32 H new ATOM 0 HG22 VAL A 82 0.410 -6.889 4.231 1.00 3.32 H new ATOM 0 HG23 VAL A 82 -1.003 -6.075 4.943 1.00 3.32 H new ATOM 1334 N THR A 83 0.866 -2.983 1.030 1.00 10.41 N ATOM 1335 CA THR A 83 0.738 -2.139 -0.164 1.00 0.54 C ATOM 1336 C THR A 83 1.946 -2.324 -1.095 1.00 43.13 C ATOM 1337 O THR A 83 2.893 -3.037 -0.767 1.00 31.10 O ATOM 1338 CB THR A 83 0.471 -0.670 0.240 1.00 21.44 C ATOM 1339 OG1 THR A 83 -0.020 0.074 -0.859 1.00 42.31 O ATOM 1340 CG2 THR A 83 1.628 0.072 0.907 1.00 20.52 C ATOM 0 H THR A 83 1.831 -3.176 1.297 1.00 10.41 H new ATOM 0 HA THR A 83 -0.129 -2.454 -0.744 1.00 0.54 H new ATOM 0 HB THR A 83 -0.286 -0.750 1.020 1.00 21.44 H new ATOM 0 HG1 THR A 83 -0.869 0.498 -0.614 1.00 42.31 H new ATOM 0 HG21 THR A 83 1.319 1.090 1.143 1.00 20.52 H new ATOM 0 HG22 THR A 83 1.910 -0.444 1.825 1.00 20.52 H new ATOM 0 HG23 THR A 83 2.482 0.099 0.230 1.00 20.52 H new ATOM 1348 N MET A 84 1.925 -1.731 -2.286 1.00 12.34 N ATOM 1349 CA MET A 84 3.067 -1.666 -3.196 1.00 52.11 C ATOM 1350 C MET A 84 3.977 -0.520 -2.722 1.00 43.22 C ATOM 1351 O MET A 84 3.511 0.318 -1.945 1.00 71.40 O ATOM 1352 CB MET A 84 2.603 -1.408 -4.644 1.00 61.14 C ATOM 1353 CG MET A 84 1.267 -2.054 -5.026 1.00 24.33 C ATOM 1354 SD MET A 84 -0.164 -0.987 -4.668 1.00 41.32 S ATOM 1355 CE MET A 84 -1.252 -2.112 -3.759 1.00 61.11 C ATOM 0 H MET A 84 1.093 -1.271 -2.655 1.00 12.34 H new ATOM 0 HA MET A 84 3.603 -2.615 -3.187 1.00 52.11 H new ATOM 0 HB2 MET A 84 2.525 -0.332 -4.797 1.00 61.14 H new ATOM 0 HB3 MET A 84 3.372 -1.772 -5.325 1.00 61.14 H new ATOM 0 HG2 MET A 84 1.277 -2.296 -6.089 1.00 24.33 H new ATOM 0 HG3 MET A 84 1.157 -2.995 -4.486 1.00 24.33 H new ATOM 0 HE1 MET A 84 -2.201 -1.616 -3.556 1.00 61.11 H new ATOM 0 HE2 MET A 84 -1.430 -3.007 -4.355 1.00 61.11 H new ATOM 0 HE3 MET A 84 -0.781 -2.392 -2.817 1.00 61.11 H new ATOM 1365 N PRO A 85 5.231 -0.410 -3.187 1.00 50.34 N ATOM 1366 CA PRO A 85 6.041 0.792 -2.997 1.00 61.14 C ATOM 1367 C PRO A 85 5.222 2.040 -3.365 1.00 70.03 C ATOM 1368 O PRO A 85 4.752 2.157 -4.498 1.00 45.03 O ATOM 1369 CB PRO A 85 7.275 0.607 -3.889 1.00 41.34 C ATOM 1370 CG PRO A 85 7.347 -0.901 -4.123 1.00 23.23 C ATOM 1371 CD PRO A 85 5.878 -1.311 -4.119 1.00 51.02 C ATOM 0 HA PRO A 85 6.349 0.935 -1.961 1.00 61.14 H new ATOM 0 HB2 PRO A 85 7.173 1.151 -4.828 1.00 41.34 H new ATOM 0 HB3 PRO A 85 8.177 0.978 -3.402 1.00 41.34 H new ATOM 0 HG2 PRO A 85 7.832 -1.141 -5.069 1.00 23.23 H new ATOM 0 HG3 PRO A 85 7.911 -1.406 -3.339 1.00 23.23 H new ATOM 0 HD2 PRO A 85 5.443 -1.225 -5.115 1.00 51.02 H new ATOM 0 HD3 PRO A 85 5.760 -2.349 -3.808 1.00 51.02 H new ATOM 1379 N ILE A 86 4.940 2.912 -2.392 1.00 55.32 N ATOM 1380 CA ILE A 86 3.954 3.981 -2.562 1.00 55.40 C ATOM 1381 C ILE A 86 4.474 4.999 -3.575 1.00 34.25 C ATOM 1382 O ILE A 86 3.800 5.289 -4.565 1.00 33.01 O ATOM 1383 CB ILE A 86 3.584 4.612 -1.197 1.00 23.12 C ATOM 1384 CG1 ILE A 86 2.805 3.577 -0.350 1.00 55.21 C ATOM 1385 CG2 ILE A 86 2.742 5.892 -1.385 1.00 22.20 C ATOM 1386 CD1 ILE A 86 2.712 3.938 1.132 1.00 41.12 C ATOM 0 H ILE A 86 5.384 2.897 -1.474 1.00 55.32 H new ATOM 0 HA ILE A 86 3.027 3.570 -2.962 1.00 55.40 H new ATOM 0 HB ILE A 86 4.502 4.892 -0.680 1.00 23.12 H new ATOM 0 HG12 ILE A 86 1.798 3.475 -0.754 1.00 55.21 H new ATOM 0 HG13 ILE A 86 3.287 2.604 -0.448 1.00 55.21 H new ATOM 0 HG21 ILE A 86 2.497 6.313 -0.410 1.00 22.20 H new ATOM 0 HG22 ILE A 86 3.311 6.621 -1.962 1.00 22.20 H new ATOM 0 HG23 ILE A 86 1.822 5.648 -1.916 1.00 22.20 H new ATOM 0 HD11 ILE A 86 2.152 3.166 1.660 1.00 41.12 H new ATOM 0 HD12 ILE A 86 3.715 4.011 1.552 1.00 41.12 H new ATOM 0 HD13 ILE A 86 2.202 4.895 1.242 1.00 41.12 H new ATOM 1398 N GLY A 87 5.647 5.569 -3.314 1.00 71.21 N ATOM 1399 CA GLY A 87 6.224 6.605 -4.144 1.00 14.53 C ATOM 1400 C GLY A 87 7.012 5.955 -5.268 1.00 24.22 C ATOM 1401 O GLY A 87 8.105 5.462 -5.022 1.00 43.21 O ATOM 0 H GLY A 87 6.224 5.318 -2.511 1.00 71.21 H new ATOM 0 HA2 GLY A 87 5.439 7.241 -4.553 1.00 14.53 H new ATOM 0 HA3 GLY A 87 6.875 7.245 -3.549 1.00 14.53 H new ATOM 1405 N TYR A 88 6.469 5.935 -6.482 1.00 45.51 N ATOM 1406 CA TYR A 88 7.188 5.552 -7.708 1.00 64.22 C ATOM 1407 C TYR A 88 6.741 6.413 -8.896 1.00 44.30 C ATOM 1408 O TYR A 88 7.533 6.798 -9.755 1.00 74.53 O ATOM 1409 CB TYR A 88 6.994 4.045 -7.961 1.00 14.33 C ATOM 1410 CG TYR A 88 7.930 3.439 -8.994 1.00 45.14 C ATOM 1411 CD1 TYR A 88 7.644 3.574 -10.364 1.00 63.24 C ATOM 1412 CD2 TYR A 88 9.069 2.706 -8.599 1.00 0.12 C ATOM 1413 CE1 TYR A 88 8.491 3.019 -11.335 1.00 34.25 C ATOM 1414 CE2 TYR A 88 9.906 2.118 -9.564 1.00 54.33 C ATOM 1415 CZ TYR A 88 9.643 2.304 -10.939 1.00 31.11 C ATOM 1416 OH TYR A 88 10.523 1.830 -11.861 1.00 20.33 O ATOM 0 H TYR A 88 5.496 6.189 -6.652 1.00 45.51 H new ATOM 0 HA TYR A 88 8.255 5.737 -7.583 1.00 64.22 H new ATOM 0 HB2 TYR A 88 7.126 3.514 -7.018 1.00 14.33 H new ATOM 0 HB3 TYR A 88 5.966 3.875 -8.281 1.00 14.33 H new ATOM 0 HD1 TYR A 88 6.760 4.112 -10.673 1.00 63.24 H new ATOM 0 HD2 TYR A 88 9.299 2.596 -7.550 1.00 0.12 H new ATOM 0 HE1 TYR A 88 8.263 3.138 -12.384 1.00 34.25 H new ATOM 0 HE2 TYR A 88 10.752 1.523 -9.253 1.00 54.33 H new ATOM 0 HH TYR A 88 11.255 1.365 -11.405 1.00 20.33 H new ATOM 1426 N VAL A 89 5.480 6.813 -8.897 1.00 71.53 N ATOM 1427 CA VAL A 89 4.782 7.504 -9.965 1.00 1.52 C ATOM 1428 C VAL A 89 4.186 8.788 -9.402 1.00 31.45 C ATOM 1429 O VAL A 89 4.510 9.858 -9.908 1.00 24.42 O ATOM 1430 CB VAL A 89 3.730 6.581 -10.620 1.00 11.41 C ATOM 1431 CG1 VAL A 89 2.946 7.315 -11.715 1.00 13.32 C ATOM 1432 CG2 VAL A 89 4.381 5.322 -11.211 1.00 72.30 C ATOM 0 H VAL A 89 4.875 6.651 -8.092 1.00 71.53 H new ATOM 0 HA VAL A 89 5.474 7.774 -10.763 1.00 1.52 H new ATOM 0 HB VAL A 89 3.038 6.282 -9.833 1.00 11.41 H new ATOM 0 HG11 VAL A 89 2.215 6.637 -12.155 1.00 13.32 H new ATOM 0 HG12 VAL A 89 2.431 8.172 -11.281 1.00 13.32 H new ATOM 0 HG13 VAL A 89 3.634 7.658 -12.488 1.00 13.32 H new ATOM 0 HG21 VAL A 89 3.614 4.694 -11.664 1.00 72.30 H new ATOM 0 HG22 VAL A 89 5.108 5.611 -11.970 1.00 72.30 H new ATOM 0 HG23 VAL A 89 4.884 4.766 -10.419 1.00 72.30 H new ATOM 1442 N THR A 90 3.391 8.720 -8.328 1.00 75.51 N ATOM 1443 CA THR A 90 2.761 9.893 -7.710 1.00 44.15 C ATOM 1444 C THR A 90 3.775 10.987 -7.341 1.00 22.34 C ATOM 1445 O THR A 90 3.407 12.160 -7.348 1.00 43.03 O ATOM 1446 CB THR A 90 1.896 9.453 -6.511 1.00 1.42 C ATOM 1447 OG1 THR A 90 1.374 10.538 -5.779 1.00 1.12 O ATOM 1448 CG2 THR A 90 2.648 8.578 -5.502 1.00 35.41 C ATOM 0 H THR A 90 3.165 7.843 -7.859 1.00 75.51 H new ATOM 0 HA THR A 90 2.106 10.355 -8.449 1.00 44.15 H new ATOM 0 HB THR A 90 1.095 8.883 -6.982 1.00 1.42 H new ATOM 0 HG1 THR A 90 1.116 10.235 -4.884 1.00 1.12 H new ATOM 0 HG21 THR A 90 1.978 8.306 -4.686 1.00 35.41 H new ATOM 0 HG22 THR A 90 3.002 7.674 -5.997 1.00 35.41 H new ATOM 0 HG23 THR A 90 3.499 9.131 -5.104 1.00 35.41 H new ATOM 1456 N HIS A 91 5.034 10.624 -7.071 1.00 30.51 N ATOM 1457 CA HIS A 91 6.111 11.564 -6.788 1.00 1.35 C ATOM 1458 C HIS A 91 7.241 11.480 -7.825 1.00 12.44 C ATOM 1459 O HIS A 91 8.177 12.279 -7.773 1.00 73.30 O ATOM 1460 CB HIS A 91 6.650 11.299 -5.375 1.00 51.44 C ATOM 1461 CG HIS A 91 7.096 12.559 -4.678 1.00 4.30 C ATOM 1462 ND1 HIS A 91 7.951 13.506 -5.192 1.00 53.02 N ATOM 1463 CD2 HIS A 91 6.732 12.966 -3.425 1.00 31.32 C ATOM 1464 CE1 HIS A 91 8.096 14.468 -4.268 1.00 4.43 C ATOM 1465 NE2 HIS A 91 7.397 14.168 -3.153 1.00 24.41 N ATOM 0 H HIS A 91 5.333 9.649 -7.044 1.00 30.51 H new ATOM 0 HA HIS A 91 5.708 12.575 -6.847 1.00 1.35 H new ATOM 0 HB2 HIS A 91 5.876 10.814 -4.780 1.00 51.44 H new ATOM 0 HB3 HIS A 91 7.488 10.605 -5.434 1.00 51.44 H new ATOM 0 HD1 HIS A 91 8.395 13.481 -6.110 1.00 53.02 H new ATOM 0 HD2 HIS A 91 6.052 12.452 -2.762 1.00 31.32 H new ATOM 0 HE1 HIS A 91 8.691 15.360 -4.399 1.00 4.43 H new ATOM 1473 N GLY A 92 7.167 10.537 -8.768 1.00 72.33 N ATOM 1474 CA GLY A 92 8.235 10.218 -9.703 1.00 31.35 C ATOM 1475 C GLY A 92 9.500 9.765 -8.981 1.00 74.22 C ATOM 1476 O GLY A 92 10.448 10.542 -8.902 1.00 40.32 O ATOM 0 H GLY A 92 6.336 9.961 -8.901 1.00 72.33 H new ATOM 0 HA2 GLY A 92 7.902 9.433 -10.382 1.00 31.35 H new ATOM 0 HA3 GLY A 92 8.458 11.093 -10.313 1.00 31.35 H new ATOM 1480 N PHE A 93 9.515 8.529 -8.464 1.00 22.11 N ATOM 1481 CA PHE A 93 10.722 7.933 -7.867 1.00 23.22 C ATOM 1482 C PHE A 93 11.206 6.743 -8.713 1.00 31.41 C ATOM 1483 O PHE A 93 10.508 6.314 -9.637 1.00 41.24 O ATOM 1484 CB PHE A 93 10.441 7.545 -6.409 1.00 11.34 C ATOM 1485 CG PHE A 93 10.184 8.699 -5.453 1.00 43.54 C ATOM 1486 CD1 PHE A 93 10.725 9.978 -5.680 1.00 45.43 C ATOM 1487 CD2 PHE A 93 9.403 8.496 -4.304 1.00 74.52 C ATOM 1488 CE1 PHE A 93 10.439 11.039 -4.817 1.00 64.14 C ATOM 1489 CE2 PHE A 93 9.119 9.558 -3.433 1.00 24.33 C ATOM 1490 CZ PHE A 93 9.623 10.839 -3.693 1.00 75.34 C ATOM 0 H PHE A 93 8.699 7.917 -8.447 1.00 22.11 H new ATOM 0 HA PHE A 93 11.531 8.664 -7.861 1.00 23.22 H new ATOM 0 HB2 PHE A 93 9.575 6.883 -6.390 1.00 11.34 H new ATOM 0 HB3 PHE A 93 11.289 6.971 -6.036 1.00 11.34 H new ATOM 0 HD1 PHE A 93 11.369 10.141 -6.531 1.00 45.43 H new ATOM 0 HD2 PHE A 93 9.017 7.511 -4.088 1.00 74.52 H new ATOM 0 HE1 PHE A 93 10.848 12.018 -5.016 1.00 64.14 H new ATOM 0 HE2 PHE A 93 8.509 9.387 -2.558 1.00 24.33 H new ATOM 0 HZ PHE A 93 9.386 11.663 -3.036 1.00 75.34 H new ATOM 1500 N ASN A 94 12.402 6.215 -8.434 1.00 33.52 N ATOM 1501 CA ASN A 94 12.865 4.911 -8.930 1.00 73.32 C ATOM 1502 C ASN A 94 12.710 3.883 -7.809 1.00 41.31 C ATOM 1503 O ASN A 94 12.399 4.245 -6.679 1.00 34.41 O ATOM 1504 CB ASN A 94 14.341 4.960 -9.380 1.00 10.01 C ATOM 1505 CG ASN A 94 14.589 5.669 -10.704 1.00 1.20 C ATOM 1506 OD1 ASN A 94 15.532 6.442 -10.827 1.00 24.10 O ATOM 1507 ND2 ASN A 94 13.816 5.404 -11.742 1.00 74.43 N ATOM 0 H ASN A 94 13.089 6.688 -7.847 1.00 33.52 H new ATOM 0 HA ASN A 94 12.264 4.637 -9.797 1.00 73.32 H new ATOM 0 HB2 ASN A 94 14.925 5.456 -8.605 1.00 10.01 H new ATOM 0 HB3 ASN A 94 14.715 3.939 -9.456 1.00 10.01 H new ATOM 0 HD21 ASN A 94 14.005 5.842 -12.643 1.00 74.43 H new ATOM 0 HD22 ASN A 94 13.031 4.761 -11.642 1.00 74.43 H new ATOM 1514 N LEU A 95 12.958 2.603 -8.101 1.00 4.14 N ATOM 1515 CA LEU A 95 12.690 1.480 -7.197 1.00 43.12 C ATOM 1516 C LEU A 95 13.490 1.544 -5.887 1.00 13.21 C ATOM 1517 O LEU A 95 13.069 0.945 -4.903 1.00 51.20 O ATOM 1518 CB LEU A 95 12.947 0.159 -7.965 1.00 34.45 C ATOM 1519 CG LEU A 95 12.247 -1.140 -7.488 1.00 14.43 C ATOM 1520 CD1 LEU A 95 13.121 -1.996 -6.562 1.00 10.33 C ATOM 1521 CD2 LEU A 95 10.855 -0.915 -6.881 1.00 10.31 C ATOM 0 H LEU A 95 13.360 2.312 -8.992 1.00 4.14 H new ATOM 0 HA LEU A 95 11.647 1.534 -6.886 1.00 43.12 H new ATOM 0 HB2 LEU A 95 12.662 0.323 -9.004 1.00 34.45 H new ATOM 0 HB3 LEU A 95 14.022 -0.024 -7.954 1.00 34.45 H new ATOM 0 HG LEU A 95 12.095 -1.707 -8.407 1.00 14.43 H new ATOM 0 HD11 LEU A 95 12.571 -2.889 -6.266 1.00 10.33 H new ATOM 0 HD12 LEU A 95 14.031 -2.288 -7.087 1.00 10.33 H new ATOM 0 HD13 LEU A 95 13.383 -1.420 -5.674 1.00 10.33 H new ATOM 0 HD21 LEU A 95 10.434 -1.872 -6.573 1.00 10.31 H new ATOM 0 HD22 LEU A 95 10.938 -0.259 -6.015 1.00 10.31 H new ATOM 0 HD23 LEU A 95 10.204 -0.455 -7.624 1.00 10.31 H new ATOM 1533 N GLU A 96 14.613 2.269 -5.845 1.00 35.10 N ATOM 1534 CA GLU A 96 15.420 2.425 -4.637 1.00 31.14 C ATOM 1535 C GLU A 96 14.833 3.527 -3.769 1.00 5.42 C ATOM 1536 O GLU A 96 14.630 3.344 -2.576 1.00 10.44 O ATOM 1537 CB GLU A 96 16.855 2.751 -5.051 1.00 64.31 C ATOM 1538 CG GLU A 96 17.782 3.168 -3.901 1.00 13.22 C ATOM 1539 CD GLU A 96 19.253 3.097 -4.312 1.00 21.34 C ATOM 1540 OE1 GLU A 96 19.593 3.500 -5.453 1.00 14.13 O ATOM 1541 OE2 GLU A 96 20.068 2.629 -3.482 1.00 11.00 O ATOM 0 H GLU A 96 14.987 2.765 -6.654 1.00 35.10 H new ATOM 0 HA GLU A 96 15.420 1.504 -4.053 1.00 31.14 H new ATOM 0 HB2 GLU A 96 17.282 1.878 -5.544 1.00 64.31 H new ATOM 0 HB3 GLU A 96 16.831 3.554 -5.788 1.00 64.31 H new ATOM 0 HG2 GLU A 96 17.540 4.183 -3.587 1.00 13.22 H new ATOM 0 HG3 GLU A 96 17.612 2.519 -3.042 1.00 13.22 H new ATOM 1548 N GLU A 97 14.531 4.670 -4.374 1.00 32.32 N ATOM 1549 CA GLU A 97 13.876 5.804 -3.737 1.00 24.53 C ATOM 1550 C GLU A 97 12.520 5.362 -3.179 1.00 2.45 C ATOM 1551 O GLU A 97 12.207 5.626 -2.020 1.00 41.44 O ATOM 1552 CB GLU A 97 13.756 6.912 -4.787 1.00 50.13 C ATOM 1553 CG GLU A 97 15.118 7.559 -5.070 1.00 25.20 C ATOM 1554 CD GLU A 97 15.587 8.484 -3.936 1.00 2.24 C ATOM 1555 OE1 GLU A 97 14.742 9.061 -3.213 1.00 72.30 O ATOM 1556 OE2 GLU A 97 16.813 8.579 -3.701 1.00 53.22 O ATOM 0 H GLU A 97 14.744 4.837 -5.357 1.00 32.32 H new ATOM 0 HA GLU A 97 14.448 6.187 -2.892 1.00 24.53 H new ATOM 0 HB2 GLU A 97 13.348 6.499 -5.710 1.00 50.13 H new ATOM 0 HB3 GLU A 97 13.055 7.671 -4.440 1.00 50.13 H new ATOM 0 HG2 GLU A 97 15.861 6.777 -5.225 1.00 25.20 H new ATOM 0 HG3 GLU A 97 15.058 8.130 -5.997 1.00 25.20 H new ATOM 1563 N ALA A 98 11.767 4.577 -3.949 1.00 74.35 N ATOM 1564 CA ALA A 98 10.538 3.906 -3.538 1.00 62.24 C ATOM 1565 C ALA A 98 10.713 2.959 -2.337 1.00 14.20 C ATOM 1566 O ALA A 98 9.715 2.531 -1.753 1.00 23.12 O ATOM 1567 CB ALA A 98 9.995 3.121 -4.736 1.00 55.21 C ATOM 0 H ALA A 98 12.010 4.384 -4.921 1.00 74.35 H new ATOM 0 HA ALA A 98 9.842 4.678 -3.210 1.00 62.24 H new ATOM 0 HB1 ALA A 98 9.075 2.611 -4.450 1.00 55.21 H new ATOM 0 HB2 ALA A 98 9.789 3.807 -5.558 1.00 55.21 H new ATOM 0 HB3 ALA A 98 10.734 2.385 -5.054 1.00 55.21 H new ATOM 1573 N ALA A 99 11.947 2.614 -1.965 1.00 62.21 N ATOM 1574 CA ALA A 99 12.305 1.788 -0.819 1.00 62.22 C ATOM 1575 C ALA A 99 12.809 2.669 0.327 1.00 0.33 C ATOM 1576 O ALA A 99 12.390 2.500 1.474 1.00 24.23 O ATOM 1577 CB ALA A 99 13.330 0.731 -1.264 1.00 32.25 C ATOM 0 H ALA A 99 12.767 2.923 -2.487 1.00 62.21 H new ATOM 0 HA ALA A 99 11.432 1.258 -0.438 1.00 62.22 H new ATOM 0 HB1 ALA A 99 13.604 0.108 -0.412 1.00 32.25 H new ATOM 0 HB2 ALA A 99 12.894 0.107 -2.044 1.00 32.25 H new ATOM 0 HB3 ALA A 99 14.220 1.227 -1.651 1.00 32.25 H new ATOM 1583 N ARG A 100 13.633 3.683 0.037 1.00 22.52 N ATOM 1584 CA ARG A 100 14.007 4.716 1.000 1.00 73.33 C ATOM 1585 C ARG A 100 12.783 5.483 1.500 1.00 13.31 C ATOM 1586 O ARG A 100 12.825 6.036 2.598 1.00 15.21 O ATOM 1587 CB ARG A 100 15.065 5.649 0.394 1.00 51.54 C ATOM 1588 CG ARG A 100 16.331 4.867 0.006 1.00 51.13 C ATOM 1589 CD ARG A 100 17.610 5.682 0.174 1.00 52.32 C ATOM 1590 NE ARG A 100 17.819 6.706 -0.858 1.00 21.32 N ATOM 1591 CZ ARG A 100 19.022 7.085 -1.308 1.00 24.43 C ATOM 1592 NH1 ARG A 100 20.156 6.696 -0.729 1.00 24.40 N ATOM 1593 NH2 ARG A 100 19.078 7.855 -2.373 1.00 43.53 N ATOM 0 H ARG A 100 14.060 3.807 -0.881 1.00 22.52 H new ATOM 0 HA ARG A 100 14.448 4.233 1.872 1.00 73.33 H new ATOM 0 HB2 ARG A 100 14.656 6.146 -0.486 1.00 51.54 H new ATOM 0 HB3 ARG A 100 15.320 6.429 1.111 1.00 51.54 H new ATOM 0 HG2 ARG A 100 16.397 3.967 0.617 1.00 51.13 H new ATOM 0 HG3 ARG A 100 16.247 4.542 -1.031 1.00 51.13 H new ATOM 0 HD2 ARG A 100 17.592 6.166 1.150 1.00 52.32 H new ATOM 0 HD3 ARG A 100 18.462 5.002 0.171 1.00 52.32 H new ATOM 0 HE ARG A 100 16.996 7.157 -1.257 1.00 21.32 H new ATOM 0 HH11 ARG A 100 20.128 6.087 0.089 1.00 24.40 H new ATOM 0 HH12 ARG A 100 21.052 7.007 -1.103 1.00 24.40 H new ATOM 0 HH21 ARG A 100 18.218 8.149 -2.835 1.00 43.53 H new ATOM 0 HH22 ARG A 100 19.982 8.158 -2.736 1.00 43.53 H new ATOM 1607 N CYS A 101 11.676 5.466 0.759 1.00 73.53 N ATOM 1608 CA CYS A 101 10.362 5.977 1.133 1.00 15.24 C ATOM 1609 C CYS A 101 9.589 5.122 2.148 1.00 33.25 C ATOM 1610 O CYS A 101 8.479 5.516 2.507 1.00 40.13 O ATOM 1611 CB CYS A 101 9.529 6.133 -0.142 1.00 10.42 C ATOM 1612 SG CYS A 101 10.057 7.651 -0.963 1.00 63.52 S ATOM 0 H CYS A 101 11.675 5.068 -0.180 1.00 73.53 H new ATOM 0 HA CYS A 101 10.535 6.927 1.638 1.00 15.24 H new ATOM 0 HB2 CYS A 101 9.671 5.274 -0.798 1.00 10.42 H new ATOM 0 HB3 CYS A 101 8.467 6.178 0.099 1.00 10.42 H new ATOM 0 HG CYS A 101 9.389 7.802 -2.068 1.00 63.52 H new ATOM 1618 N MET A 102 10.115 3.983 2.613 1.00 53.43 N ATOM 1619 CA MET A 102 9.407 3.113 3.558 1.00 1.25 C ATOM 1620 C MET A 102 10.149 2.969 4.903 1.00 41.14 C ATOM 1621 O MET A 102 9.568 2.527 5.894 1.00 65.24 O ATOM 1622 CB MET A 102 9.141 1.759 2.872 1.00 71.11 C ATOM 1623 CG MET A 102 8.258 1.861 1.611 1.00 11.12 C ATOM 1624 SD MET A 102 6.586 2.563 1.785 1.00 74.12 S ATOM 1625 CE MET A 102 5.545 1.072 1.743 1.00 4.34 C ATOM 0 H MET A 102 11.038 3.640 2.347 1.00 53.43 H new ATOM 0 HA MET A 102 8.453 3.570 3.821 1.00 1.25 H new ATOM 0 HB2 MET A 102 10.095 1.307 2.600 1.00 71.11 H new ATOM 0 HB3 MET A 102 8.662 1.089 3.586 1.00 71.11 H new ATOM 0 HG2 MET A 102 8.796 2.460 0.876 1.00 11.12 H new ATOM 0 HG3 MET A 102 8.157 0.859 1.194 1.00 11.12 H new ATOM 0 HE1 MET A 102 4.497 1.357 1.840 1.00 4.34 H new ATOM 0 HE2 MET A 102 5.693 0.551 0.797 1.00 4.34 H new ATOM 0 HE3 MET A 102 5.820 0.413 2.567 1.00 4.34 H new ATOM 1635 N ARG A 103 11.423 3.370 5.011 1.00 62.14 N ATOM 1636 CA ARG A 103 12.228 3.111 6.219 1.00 40.12 C ATOM 1637 C ARG A 103 11.804 3.995 7.392 1.00 10.42 C ATOM 1638 O ARG A 103 11.801 3.554 8.540 1.00 21.25 O ATOM 1639 CB ARG A 103 13.744 3.262 5.962 1.00 5.42 C ATOM 1640 CG ARG A 103 14.247 2.898 4.571 1.00 1.34 C ATOM 1641 CD ARG A 103 13.842 1.474 4.198 1.00 34.24 C ATOM 1642 NE ARG A 103 13.861 0.493 5.305 1.00 21.33 N ATOM 1643 CZ ARG A 103 14.829 0.182 6.181 1.00 24.13 C ATOM 1644 NH1 ARG A 103 16.031 0.751 6.133 1.00 2.33 N ATOM 1645 NH2 ARG A 103 14.574 -0.723 7.108 1.00 71.50 N ATOM 0 H ARG A 103 11.921 3.875 4.278 1.00 62.14 H new ATOM 0 HA ARG A 103 12.035 2.072 6.485 1.00 40.12 H new ATOM 0 HB2 ARG A 103 14.021 4.297 6.163 1.00 5.42 H new ATOM 0 HB3 ARG A 103 14.274 2.644 6.687 1.00 5.42 H new ATOM 0 HG2 ARG A 103 13.843 3.598 3.840 1.00 1.34 H new ATOM 0 HG3 ARG A 103 15.332 2.992 4.537 1.00 1.34 H new ATOM 0 HD2 ARG A 103 12.837 1.500 3.777 1.00 34.24 H new ATOM 0 HD3 ARG A 103 14.508 1.120 3.411 1.00 34.24 H new ATOM 0 HE ARG A 103 12.996 -0.034 5.422 1.00 21.33 H new ATOM 0 HH11 ARG A 103 16.238 1.446 5.415 1.00 2.33 H new ATOM 0 HH12 ARG A 103 16.745 0.493 6.814 1.00 2.33 H new ATOM 0 HH21 ARG A 103 13.657 -1.169 7.147 1.00 71.50 H new ATOM 0 HH22 ARG A 103 15.294 -0.976 7.785 1.00 71.50 H new ATOM 1659 N SER A 104 11.419 5.243 7.124 1.00 21.40 N ATOM 1660 CA SER A 104 10.939 6.185 8.132 1.00 2.41 C ATOM 1661 C SER A 104 9.614 5.733 8.758 1.00 33.40 C ATOM 1662 O SER A 104 9.202 6.277 9.789 1.00 71.45 O ATOM 1663 CB SER A 104 10.727 7.561 7.488 1.00 71.23 C ATOM 1664 OG SER A 104 11.881 8.031 6.813 1.00 24.14 O ATOM 0 H SER A 104 11.433 5.634 6.182 1.00 21.40 H new ATOM 0 HA SER A 104 11.693 6.233 8.918 1.00 2.41 H new ATOM 0 HB2 SER A 104 9.897 7.504 6.784 1.00 71.23 H new ATOM 0 HB3 SER A 104 10.444 8.279 8.258 1.00 71.23 H new ATOM 0 HG SER A 104 11.695 8.909 6.419 1.00 24.14 H new ATOM 1670 N LEU A 105 8.917 4.787 8.127 1.00 31.12 N ATOM 1671 CA LEU A 105 7.644 4.273 8.589 1.00 40.54 C ATOM 1672 C LEU A 105 7.923 3.345 9.766 1.00 20.41 C ATOM 1673 O LEU A 105 8.650 2.366 9.615 1.00 3.15 O ATOM 1674 CB LEU A 105 6.941 3.579 7.410 1.00 62.41 C ATOM 1675 CG LEU A 105 5.419 3.803 7.400 1.00 33.41 C ATOM 1676 CD1 LEU A 105 4.864 3.783 5.977 1.00 14.41 C ATOM 1677 CD2 LEU A 105 4.683 2.788 8.240 1.00 64.43 C ATOM 0 H LEU A 105 9.236 4.352 7.261 1.00 31.12 H new ATOM 0 HA LEU A 105 6.972 5.057 8.937 1.00 40.54 H new ATOM 0 HB2 LEU A 105 7.363 3.948 6.475 1.00 62.41 H new ATOM 0 HB3 LEU A 105 7.145 2.509 7.452 1.00 62.41 H new ATOM 0 HG LEU A 105 5.255 4.788 7.837 1.00 33.41 H new ATOM 0 HD11 LEU A 105 3.786 3.944 6.004 1.00 14.41 H new ATOM 0 HD12 LEU A 105 5.334 4.573 5.392 1.00 14.41 H new ATOM 0 HD13 LEU A 105 5.075 2.817 5.518 1.00 14.41 H new ATOM 0 HD21 LEU A 105 3.613 2.990 8.200 1.00 64.43 H new ATOM 0 HD22 LEU A 105 4.878 1.787 7.855 1.00 64.43 H new ATOM 0 HD23 LEU A 105 5.026 2.853 9.273 1.00 64.43 H new ATOM 1689 N LYS A 106 7.410 3.662 10.953 1.00 40.41 N ATOM 1690 CA LYS A 106 7.571 2.817 12.133 1.00 4.24 C ATOM 1691 C LYS A 106 6.868 1.482 11.932 1.00 1.32 C ATOM 1692 O LYS A 106 7.360 0.456 12.406 1.00 41.44 O ATOM 1693 CB LYS A 106 6.961 3.489 13.371 1.00 3.42 C ATOM 1694 CG LYS A 106 7.711 4.717 13.891 1.00 64.22 C ATOM 1695 CD LYS A 106 9.105 4.389 14.439 1.00 24.23 C ATOM 1696 CE LYS A 106 9.603 5.531 15.332 1.00 4.40 C ATOM 1697 NZ LYS A 106 8.988 5.514 16.679 1.00 75.25 N ATOM 0 H LYS A 106 6.871 4.511 11.123 1.00 40.41 H new ATOM 0 HA LYS A 106 8.640 2.663 12.280 1.00 4.24 H new ATOM 0 HB2 LYS A 106 5.938 3.782 13.136 1.00 3.42 H new ATOM 0 HB3 LYS A 106 6.906 2.752 14.173 1.00 3.42 H new ATOM 0 HG2 LYS A 106 7.807 5.444 13.085 1.00 64.22 H new ATOM 0 HG3 LYS A 106 7.121 5.189 14.677 1.00 64.22 H new ATOM 0 HD2 LYS A 106 9.071 3.460 15.009 1.00 24.23 H new ATOM 0 HD3 LYS A 106 9.801 4.232 13.615 1.00 24.23 H new ATOM 0 HE2 LYS A 106 10.686 5.463 15.431 1.00 4.40 H new ATOM 0 HE3 LYS A 106 9.386 6.484 14.850 1.00 4.40 H new ATOM 0 HZ1 LYS A 106 9.445 6.231 17.278 1.00 75.25 H new ATOM 0 HZ2 LYS A 106 7.973 5.725 16.600 1.00 75.25 H new ATOM 0 HZ3 LYS A 106 9.114 4.574 17.106 1.00 75.25 H new ATOM 1711 N ALA A 107 5.685 1.506 11.319 1.00 65.22 N ATOM 1712 CA ALA A 107 4.863 0.324 11.161 1.00 75.34 C ATOM 1713 C ALA A 107 5.450 -0.587 10.086 1.00 14.40 C ATOM 1714 O ALA A 107 6.065 -0.088 9.138 1.00 0.53 O ATOM 1715 CB ALA A 107 3.432 0.749 10.833 1.00 43.43 C ATOM 0 H ALA A 107 5.276 2.351 10.920 1.00 65.22 H new ATOM 0 HA ALA A 107 4.845 -0.246 12.090 1.00 75.34 H new ATOM 0 HB1 ALA A 107 2.808 -0.137 10.713 1.00 43.43 H new ATOM 0 HB2 ALA A 107 3.040 1.362 11.644 1.00 43.43 H new ATOM 0 HB3 ALA A 107 3.427 1.325 9.908 1.00 43.43 H new ATOM 1721 N PRO A 108 5.268 -1.910 10.198 1.00 52.14 N ATOM 1722 CA PRO A 108 5.644 -2.819 9.137 1.00 11.51 C ATOM 1723 C PRO A 108 4.640 -2.674 7.988 1.00 12.22 C ATOM 1724 O PRO A 108 3.452 -2.937 8.166 1.00 45.42 O ATOM 1725 CB PRO A 108 5.645 -4.211 9.770 1.00 5.54 C ATOM 1726 CG PRO A 108 4.619 -4.098 10.899 1.00 42.34 C ATOM 1727 CD PRO A 108 4.713 -2.634 11.335 1.00 55.21 C ATOM 0 HA PRO A 108 6.626 -2.618 8.710 1.00 11.51 H new ATOM 0 HB2 PRO A 108 5.364 -4.979 9.049 1.00 5.54 H new ATOM 0 HB3 PRO A 108 6.631 -4.477 10.151 1.00 5.54 H new ATOM 0 HG2 PRO A 108 3.616 -4.349 10.554 1.00 42.34 H new ATOM 0 HG3 PRO A 108 4.852 -4.775 11.720 1.00 42.34 H new ATOM 0 HD2 PRO A 108 3.732 -2.244 11.605 1.00 55.21 H new ATOM 0 HD3 PRO A 108 5.350 -2.529 12.213 1.00 55.21 H new ATOM 1735 N ALA A 109 5.088 -2.243 6.810 1.00 52.20 N ATOM 1736 CA ALA A 109 4.309 -2.367 5.592 1.00 51.30 C ATOM 1737 C ALA A 109 4.884 -3.571 4.869 1.00 42.52 C ATOM 1738 O ALA A 109 6.063 -3.566 4.509 1.00 55.54 O ATOM 1739 CB ALA A 109 4.409 -1.105 4.731 1.00 15.44 C ATOM 0 H ALA A 109 5.998 -1.801 6.679 1.00 52.20 H new ATOM 0 HA ALA A 109 3.248 -2.493 5.808 1.00 51.30 H new ATOM 0 HB1 ALA A 109 3.814 -1.233 3.827 1.00 15.44 H new ATOM 0 HB2 ALA A 109 4.035 -0.250 5.294 1.00 15.44 H new ATOM 0 HB3 ALA A 109 5.450 -0.932 4.458 1.00 15.44 H new ATOM 1745 N VAL A 110 4.081 -4.606 4.679 1.00 72.14 N ATOM 1746 CA VAL A 110 4.372 -5.650 3.707 1.00 20.51 C ATOM 1747 C VAL A 110 4.407 -4.963 2.349 1.00 73.32 C ATOM 1748 O VAL A 110 3.539 -4.130 2.063 1.00 73.45 O ATOM 1749 CB VAL A 110 3.292 -6.741 3.778 1.00 34.54 C ATOM 1750 CG1 VAL A 110 3.501 -7.875 2.762 1.00 10.53 C ATOM 1751 CG2 VAL A 110 3.282 -7.335 5.190 1.00 62.54 C ATOM 0 H VAL A 110 3.211 -4.747 5.192 1.00 72.14 H new ATOM 0 HA VAL A 110 5.323 -6.146 3.900 1.00 20.51 H new ATOM 0 HB VAL A 110 2.342 -6.266 3.533 1.00 34.54 H new ATOM 0 HG11 VAL A 110 2.703 -8.610 2.868 1.00 10.53 H new ATOM 0 HG12 VAL A 110 3.486 -7.466 1.752 1.00 10.53 H new ATOM 0 HG13 VAL A 110 4.462 -8.355 2.945 1.00 10.53 H new ATOM 0 HG21 VAL A 110 2.519 -8.111 5.253 1.00 62.54 H new ATOM 0 HG22 VAL A 110 4.258 -7.767 5.410 1.00 62.54 H new ATOM 0 HG23 VAL A 110 3.062 -6.550 5.913 1.00 62.54 H new ATOM 1761 N VAL A 111 5.407 -5.286 1.533 1.00 31.42 N ATOM 1762 CA VAL A 111 5.624 -4.649 0.243 1.00 22.33 C ATOM 1763 C VAL A 111 5.532 -5.731 -0.818 1.00 42.15 C ATOM 1764 O VAL A 111 6.158 -6.779 -0.649 1.00 60.24 O ATOM 1765 CB VAL A 111 6.990 -3.921 0.195 1.00 52.05 C ATOM 1766 CG1 VAL A 111 6.986 -2.922 -0.970 1.00 14.04 C ATOM 1767 CG2 VAL A 111 7.375 -3.186 1.490 1.00 20.21 C ATOM 0 H VAL A 111 6.095 -6.006 1.754 1.00 31.42 H new ATOM 0 HA VAL A 111 4.868 -3.884 0.067 1.00 22.33 H new ATOM 0 HB VAL A 111 7.740 -4.700 0.060 1.00 52.05 H new ATOM 0 HG11 VAL A 111 7.945 -2.406 -1.010 1.00 14.04 H new ATOM 0 HG12 VAL A 111 6.822 -3.456 -1.906 1.00 14.04 H new ATOM 0 HG13 VAL A 111 6.188 -2.194 -0.823 1.00 14.04 H new ATOM 0 HG21 VAL A 111 8.346 -2.707 1.362 1.00 20.21 H new ATOM 0 HG22 VAL A 111 6.624 -2.429 1.716 1.00 20.21 H new ATOM 0 HG23 VAL A 111 7.429 -3.900 2.312 1.00 20.21 H new ATOM 1777 N SER A 112 4.848 -5.470 -1.934 1.00 23.13 N ATOM 1778 CA SER A 112 4.901 -6.326 -3.110 1.00 21.03 C ATOM 1779 C SER A 112 5.441 -5.539 -4.294 1.00 71.33 C ATOM 1780 O SER A 112 4.761 -4.646 -4.805 1.00 14.31 O ATOM 1781 CB SER A 112 3.526 -6.889 -3.436 1.00 21.40 C ATOM 1782 OG SER A 112 3.598 -7.802 -4.512 1.00 13.12 O ATOM 0 H SER A 112 4.242 -4.657 -2.043 1.00 23.13 H new ATOM 0 HA SER A 112 5.567 -7.163 -2.900 1.00 21.03 H new ATOM 0 HB2 SER A 112 3.115 -7.387 -2.558 1.00 21.40 H new ATOM 0 HB3 SER A 112 2.846 -6.076 -3.689 1.00 21.40 H new ATOM 0 HG SER A 112 4.414 -7.635 -5.029 1.00 13.12 H new ATOM 1788 N VAL A 113 6.614 -5.931 -4.773 1.00 35.40 N ATOM 1789 CA VAL A 113 7.045 -5.722 -6.143 1.00 41.50 C ATOM 1790 C VAL A 113 6.357 -6.740 -7.060 1.00 11.54 C ATOM 1791 O VAL A 113 5.532 -7.545 -6.613 1.00 61.20 O ATOM 1792 CB VAL A 113 8.580 -5.827 -6.236 1.00 25.45 C ATOM 1793 CG1 VAL A 113 9.247 -4.654 -5.502 1.00 54.21 C ATOM 1794 CG2 VAL A 113 9.131 -7.161 -5.704 1.00 32.33 C ATOM 0 H VAL A 113 7.307 -6.415 -4.203 1.00 35.40 H new ATOM 0 HA VAL A 113 6.759 -4.722 -6.469 1.00 41.50 H new ATOM 0 HB VAL A 113 8.824 -5.784 -7.297 1.00 25.45 H new ATOM 0 HG11 VAL A 113 10.330 -4.746 -5.579 1.00 54.21 H new ATOM 0 HG12 VAL A 113 8.929 -3.714 -5.954 1.00 54.21 H new ATOM 0 HG13 VAL A 113 8.955 -4.669 -4.452 1.00 54.21 H new ATOM 0 HG21 VAL A 113 10.217 -7.170 -5.798 1.00 32.33 H new ATOM 0 HG22 VAL A 113 8.857 -7.275 -4.655 1.00 32.33 H new ATOM 0 HG23 VAL A 113 8.710 -7.984 -6.281 1.00 32.33 H new ATOM 1804 N SER A 114 6.716 -6.685 -8.341 1.00 60.41 N ATOM 1805 CA SER A 114 6.295 -7.598 -9.377 1.00 35.03 C ATOM 1806 C SER A 114 6.952 -8.979 -9.238 1.00 34.12 C ATOM 1807 O SER A 114 6.313 -9.909 -8.743 1.00 42.22 O ATOM 1808 CB SER A 114 6.584 -6.942 -10.731 1.00 25.14 C ATOM 1809 OG SER A 114 5.638 -5.922 -10.991 1.00 51.35 O ATOM 0 H SER A 114 7.342 -5.960 -8.693 1.00 60.41 H new ATOM 0 HA SER A 114 5.225 -7.788 -9.288 1.00 35.03 H new ATOM 0 HB2 SER A 114 7.591 -6.524 -10.733 1.00 25.14 H new ATOM 0 HB3 SER A 114 6.548 -7.692 -11.522 1.00 25.14 H new ATOM 0 HG SER A 114 5.833 -5.508 -11.858 1.00 51.35 H new ATOM 1815 N SER A 115 8.190 -9.134 -9.717 1.00 72.10 N ATOM 1816 CA SER A 115 8.836 -10.435 -9.853 1.00 13.11 C ATOM 1817 C SER A 115 9.593 -10.797 -8.568 1.00 0.44 C ATOM 1818 O SER A 115 10.066 -9.889 -7.877 1.00 2.41 O ATOM 1819 CB SER A 115 9.810 -10.384 -11.036 1.00 32.30 C ATOM 1820 OG SER A 115 9.179 -9.896 -12.207 1.00 35.32 O ATOM 0 H SER A 115 8.772 -8.354 -10.022 1.00 72.10 H new ATOM 0 HA SER A 115 8.077 -11.198 -10.029 1.00 13.11 H new ATOM 0 HB2 SER A 115 10.657 -9.745 -10.784 1.00 32.30 H new ATOM 0 HB3 SER A 115 10.208 -11.381 -11.224 1.00 32.30 H new ATOM 0 HG SER A 115 9.826 -9.874 -12.942 1.00 35.32 H new ATOM 1826 N PRO A 116 9.799 -12.095 -8.277 1.00 72.20 N ATOM 1827 CA PRO A 116 10.496 -12.550 -7.079 1.00 74.31 C ATOM 1828 C PRO A 116 11.932 -12.043 -6.998 1.00 72.33 C ATOM 1829 O PRO A 116 12.454 -11.853 -5.902 1.00 62.25 O ATOM 1830 CB PRO A 116 10.417 -14.078 -7.086 1.00 12.33 C ATOM 1831 CG PRO A 116 10.102 -14.437 -8.530 1.00 31.43 C ATOM 1832 CD PRO A 116 9.316 -13.235 -9.037 1.00 12.32 C ATOM 0 HA PRO A 116 10.020 -12.141 -6.187 1.00 74.31 H new ATOM 0 HB2 PRO A 116 11.357 -14.525 -6.762 1.00 12.33 H new ATOM 0 HB3 PRO A 116 9.642 -14.438 -6.409 1.00 12.33 H new ATOM 0 HG2 PRO A 116 11.011 -14.595 -9.111 1.00 31.43 H new ATOM 0 HG3 PRO A 116 9.518 -15.355 -8.596 1.00 31.43 H new ATOM 0 HD2 PRO A 116 9.474 -13.087 -10.105 1.00 12.32 H new ATOM 0 HD3 PRO A 116 8.245 -13.378 -8.890 1.00 12.32 H new ATOM 1840 N ASP A 117 12.585 -11.774 -8.126 1.00 3.11 N ATOM 1841 CA ASP A 117 13.954 -11.273 -8.138 1.00 62.24 C ATOM 1842 C ASP A 117 14.047 -9.953 -7.377 1.00 63.11 C ATOM 1843 O ASP A 117 14.972 -9.749 -6.588 1.00 14.12 O ATOM 1844 CB ASP A 117 14.438 -11.002 -9.577 1.00 12.20 C ATOM 1845 CG ASP A 117 14.467 -12.170 -10.565 1.00 41.43 C ATOM 1846 OD1 ASP A 117 13.705 -13.138 -10.378 1.00 72.11 O ATOM 1847 OD2 ASP A 117 15.121 -12.015 -11.628 1.00 61.14 O ATOM 0 H ASP A 117 12.180 -11.897 -9.054 1.00 3.11 H new ATOM 0 HA ASP A 117 14.574 -12.038 -7.670 1.00 62.24 H new ATOM 0 HB2 ASP A 117 13.803 -10.224 -10.000 1.00 12.20 H new ATOM 0 HB3 ASP A 117 15.446 -10.592 -9.517 1.00 12.20 H new ATOM 1852 N ALA A 118 13.078 -9.058 -7.608 1.00 11.40 N ATOM 1853 CA ALA A 118 13.116 -7.694 -7.097 1.00 31.12 C ATOM 1854 C ALA A 118 12.902 -7.645 -5.582 1.00 2.14 C ATOM 1855 O ALA A 118 13.121 -6.599 -4.981 1.00 14.35 O ATOM 1856 CB ALA A 118 12.075 -6.828 -7.823 1.00 63.55 C ATOM 0 H ALA A 118 12.245 -9.267 -8.158 1.00 11.40 H new ATOM 0 HA ALA A 118 14.110 -7.293 -7.293 1.00 31.12 H new ATOM 0 HB1 ALA A 118 12.112 -5.811 -7.433 1.00 63.55 H new ATOM 0 HB2 ALA A 118 12.293 -6.816 -8.891 1.00 63.55 H new ATOM 0 HB3 ALA A 118 11.080 -7.243 -7.661 1.00 63.55 H new ATOM 1862 N VAL A 119 12.477 -8.746 -4.964 1.00 52.03 N ATOM 1863 CA VAL A 119 12.161 -8.845 -3.548 1.00 11.14 C ATOM 1864 C VAL A 119 13.445 -8.589 -2.752 1.00 42.22 C ATOM 1865 O VAL A 119 13.521 -7.646 -1.964 1.00 64.34 O ATOM 1866 CB VAL A 119 11.508 -10.228 -3.308 1.00 5.35 C ATOM 1867 CG1 VAL A 119 11.062 -10.476 -1.857 1.00 45.12 C ATOM 1868 CG2 VAL A 119 10.237 -10.343 -4.160 1.00 72.32 C ATOM 0 H VAL A 119 12.339 -9.627 -5.460 1.00 52.03 H new ATOM 0 HA VAL A 119 11.443 -8.099 -3.209 1.00 11.14 H new ATOM 0 HB VAL A 119 12.278 -10.955 -3.566 1.00 5.35 H new ATOM 0 HG11 VAL A 119 10.616 -11.467 -1.778 1.00 45.12 H new ATOM 0 HG12 VAL A 119 11.926 -10.413 -1.195 1.00 45.12 H new ATOM 0 HG13 VAL A 119 10.328 -9.724 -1.568 1.00 45.12 H new ATOM 0 HG21 VAL A 119 9.774 -11.316 -3.994 1.00 72.32 H new ATOM 0 HG22 VAL A 119 9.538 -9.556 -3.878 1.00 72.32 H new ATOM 0 HG23 VAL A 119 10.495 -10.239 -5.214 1.00 72.32 H new ATOM 1878 N THR A 120 14.489 -9.375 -3.007 1.00 2.33 N ATOM 1879 CA THR A 120 15.789 -9.184 -2.382 1.00 71.12 C ATOM 1880 C THR A 120 16.450 -7.873 -2.843 1.00 3.35 C ATOM 1881 O THR A 120 17.106 -7.223 -2.028 1.00 70.22 O ATOM 1882 CB THR A 120 16.611 -10.449 -2.643 1.00 24.24 C ATOM 1883 OG1 THR A 120 16.052 -11.483 -1.845 1.00 53.02 O ATOM 1884 CG2 THR A 120 18.096 -10.302 -2.325 1.00 23.03 C ATOM 0 H THR A 120 14.454 -10.162 -3.654 1.00 2.33 H new ATOM 0 HA THR A 120 15.701 -9.057 -1.303 1.00 71.12 H new ATOM 0 HB THR A 120 16.562 -10.670 -3.709 1.00 24.24 H new ATOM 0 HG1 THR A 120 16.553 -12.313 -1.987 1.00 53.02 H new ATOM 0 HG21 THR A 120 18.608 -11.241 -2.536 1.00 23.03 H new ATOM 0 HG22 THR A 120 18.523 -9.509 -2.939 1.00 23.03 H new ATOM 0 HG23 THR A 120 18.219 -10.051 -1.272 1.00 23.03 H new ATOM 1892 N THR A 121 16.245 -7.438 -4.090 1.00 44.52 N ATOM 1893 CA THR A 121 16.767 -6.168 -4.589 1.00 24.43 C ATOM 1894 C THR A 121 16.237 -4.989 -3.765 1.00 0.15 C ATOM 1895 O THR A 121 17.019 -4.191 -3.245 1.00 23.53 O ATOM 1896 CB THR A 121 16.408 -6.043 -6.075 1.00 62.34 C ATOM 1897 OG1 THR A 121 16.786 -7.196 -6.805 1.00 42.34 O ATOM 1898 CG2 THR A 121 17.009 -4.810 -6.739 1.00 10.11 C ATOM 0 H THR A 121 15.709 -7.961 -4.783 1.00 44.52 H new ATOM 0 HA THR A 121 17.852 -6.146 -4.485 1.00 24.43 H new ATOM 0 HB THR A 121 15.323 -5.938 -6.096 1.00 62.34 H new ATOM 0 HG1 THR A 121 16.103 -7.891 -6.696 1.00 42.34 H new ATOM 0 HG21 THR A 121 16.716 -4.783 -7.789 1.00 10.11 H new ATOM 0 HG22 THR A 121 16.646 -3.913 -6.237 1.00 10.11 H new ATOM 0 HG23 THR A 121 18.096 -4.851 -6.667 1.00 10.11 H new ATOM 1906 N TYR A 122 14.913 -4.880 -3.629 1.00 25.44 N ATOM 1907 CA TYR A 122 14.259 -3.815 -2.885 1.00 24.43 C ATOM 1908 C TYR A 122 14.669 -3.892 -1.409 1.00 4.22 C ATOM 1909 O TYR A 122 14.930 -2.863 -0.791 1.00 10.24 O ATOM 1910 CB TYR A 122 12.741 -3.971 -3.052 1.00 34.52 C ATOM 1911 CG TYR A 122 11.891 -2.886 -2.418 1.00 11.43 C ATOM 1912 CD1 TYR A 122 11.493 -2.980 -1.070 1.00 55.42 C ATOM 1913 CD2 TYR A 122 11.463 -1.792 -3.193 1.00 23.45 C ATOM 1914 CE1 TYR A 122 10.650 -2.002 -0.513 1.00 53.22 C ATOM 1915 CE2 TYR A 122 10.623 -0.811 -2.647 1.00 73.20 C ATOM 1916 CZ TYR A 122 10.194 -0.925 -1.308 1.00 34.32 C ATOM 1917 OH TYR A 122 9.342 -0.005 -0.783 1.00 13.40 O ATOM 0 H TYR A 122 14.259 -5.544 -4.043 1.00 25.44 H new ATOM 0 HA TYR A 122 14.560 -2.838 -3.263 1.00 24.43 H new ATOM 0 HB2 TYR A 122 12.514 -4.008 -4.117 1.00 34.52 H new ATOM 0 HB3 TYR A 122 12.445 -4.931 -2.630 1.00 34.52 H new ATOM 0 HD1 TYR A 122 11.836 -3.805 -0.463 1.00 55.42 H new ATOM 0 HD2 TYR A 122 11.785 -1.707 -4.220 1.00 23.45 H new ATOM 0 HE1 TYR A 122 10.351 -2.073 0.522 1.00 53.22 H new ATOM 0 HE2 TYR A 122 10.306 0.028 -3.249 1.00 73.20 H new ATOM 0 HH TYR A 122 9.397 0.825 -1.301 1.00 13.40 H new ATOM 1927 N ASN A 123 14.762 -5.111 -0.856 1.00 13.13 N ATOM 1928 CA ASN A 123 15.255 -5.347 0.509 1.00 12.04 C ATOM 1929 C ASN A 123 16.667 -4.793 0.688 1.00 53.42 C ATOM 1930 O ASN A 123 16.954 -4.176 1.714 1.00 45.22 O ATOM 1931 CB ASN A 123 15.260 -6.843 0.894 1.00 12.53 C ATOM 1932 CG ASN A 123 14.021 -7.297 1.653 1.00 62.02 C ATOM 1933 OD1 ASN A 123 13.344 -6.501 2.301 1.00 51.24 O ATOM 1934 ND2 ASN A 123 13.661 -8.568 1.597 1.00 23.32 N ATOM 0 H ASN A 123 14.496 -5.965 -1.346 1.00 13.13 H new ATOM 0 HA ASN A 123 14.561 -4.825 1.168 1.00 12.04 H new ATOM 0 HB2 ASN A 123 15.355 -7.440 -0.013 1.00 12.53 H new ATOM 0 HB3 ASN A 123 16.140 -7.047 1.503 1.00 12.53 H new ATOM 0 HD21 ASN A 123 12.826 -8.884 2.090 1.00 23.32 H new ATOM 0 HD22 ASN A 123 14.219 -9.233 1.061 1.00 23.32 H new ATOM 1941 N GLY A 124 17.538 -5.000 -0.303 1.00 14.22 N ATOM 1942 CA GLY A 124 18.876 -4.438 -0.335 1.00 51.32 C ATOM 1943 C GLY A 124 18.792 -2.920 -0.290 1.00 42.24 C ATOM 1944 O GLY A 124 19.371 -2.302 0.601 1.00 72.25 O ATOM 0 H GLY A 124 17.322 -5.575 -1.117 1.00 14.22 H new ATOM 0 HA2 GLY A 124 19.456 -4.806 0.511 1.00 51.32 H new ATOM 0 HA3 GLY A 124 19.394 -4.757 -1.239 1.00 51.32 H new ATOM 1948 N TYR A 125 18.005 -2.313 -1.181 1.00 34.42 N ATOM 1949 CA TYR A 125 17.879 -0.862 -1.265 1.00 73.52 C ATOM 1950 C TYR A 125 17.368 -0.201 0.013 1.00 20.35 C ATOM 1951 O TYR A 125 17.492 1.019 0.146 1.00 33.11 O ATOM 1952 CB TYR A 125 16.939 -0.475 -2.411 1.00 63.25 C ATOM 1953 CG TYR A 125 17.372 -0.833 -3.818 1.00 51.41 C ATOM 1954 CD1 TYR A 125 18.730 -0.936 -4.178 1.00 41.30 C ATOM 1955 CD2 TYR A 125 16.380 -1.004 -4.796 1.00 40.34 C ATOM 1956 CE1 TYR A 125 19.097 -1.226 -5.502 1.00 61.53 C ATOM 1957 CE2 TYR A 125 16.737 -1.285 -6.122 1.00 4.53 C ATOM 1958 CZ TYR A 125 18.099 -1.405 -6.482 1.00 33.21 C ATOM 1959 OH TYR A 125 18.434 -1.653 -7.778 1.00 51.32 O ATOM 0 H TYR A 125 17.438 -2.816 -1.863 1.00 34.42 H new ATOM 0 HA TYR A 125 18.892 -0.499 -1.437 1.00 73.52 H new ATOM 0 HB2 TYR A 125 15.972 -0.943 -2.227 1.00 63.25 H new ATOM 0 HB3 TYR A 125 16.784 0.603 -2.370 1.00 63.25 H new ATOM 0 HD1 TYR A 125 19.495 -0.791 -3.430 1.00 41.30 H new ATOM 0 HD2 TYR A 125 15.338 -0.919 -4.526 1.00 40.34 H new ATOM 0 HE1 TYR A 125 20.140 -1.312 -5.769 1.00 61.53 H new ATOM 0 HE2 TYR A 125 15.969 -1.410 -6.871 1.00 4.53 H new ATOM 0 HH TYR A 125 17.619 -1.750 -8.314 1.00 51.32 H new ATOM 1969 N LEU A 126 16.820 -0.957 0.968 1.00 61.11 N ATOM 1970 CA LEU A 126 16.448 -0.396 2.257 1.00 25.45 C ATOM 1971 C LEU A 126 17.652 0.163 3.007 1.00 70.34 C ATOM 1972 O LEU A 126 17.490 1.099 3.788 1.00 12.42 O ATOM 1973 CB LEU A 126 15.721 -1.388 3.142 1.00 43.22 C ATOM 1974 CG LEU A 126 14.480 -1.994 2.472 1.00 14.14 C ATOM 1975 CD1 LEU A 126 13.672 -2.652 3.559 1.00 1.55 C ATOM 1976 CD2 LEU A 126 13.536 -1.011 1.782 1.00 1.13 C ATOM 0 H LEU A 126 16.627 -1.954 0.868 1.00 61.11 H new ATOM 0 HA LEU A 126 15.763 0.420 2.027 1.00 25.45 H new ATOM 0 HB2 LEU A 126 16.406 -2.190 3.418 1.00 43.22 H new ATOM 0 HB3 LEU A 126 15.422 -0.892 4.065 1.00 43.22 H new ATOM 0 HG LEU A 126 14.861 -2.656 1.694 1.00 14.14 H new ATOM 0 HD11 LEU A 126 12.776 -3.098 3.127 1.00 1.55 H new ATOM 0 HD12 LEU A 126 14.270 -3.428 4.037 1.00 1.55 H new ATOM 0 HD13 LEU A 126 13.384 -1.907 4.301 1.00 1.55 H new ATOM 0 HD21 LEU A 126 12.698 -1.556 1.347 1.00 1.13 H new ATOM 0 HD22 LEU A 126 13.162 -0.293 2.512 1.00 1.13 H new ATOM 0 HD23 LEU A 126 14.073 -0.482 0.995 1.00 1.13 H new