USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1125 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 114 ASN : amide:sc= 0.668 K(o=0.67,f=-0.85) USER MOD Set 1.2: A 117 MET CE :methyl -155:sc= 0 (180deg=-0.157) USER MOD Set 2.1: A 64 GLN : amide:sc= 1.03 K(o=2.2,f=0.25) USER MOD Set 2.2: A 67 ASN : amide:sc= -0.0037 K(o=2.2,f=0.64) USER MOD Set 2.3: A 69 HIS : no HD1:sc= 1.19 K(o=2.2,f=-8.9!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.1 K(o=2.2,f=-0.021) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.11 K(o=2.2,f=1) USER MOD Set 4.1: A 16 MET CE :methyl -172:sc= 0 (180deg=0) USER MOD Set 4.2: A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 165:sc=-0.00933 (180deg=-0.301) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.829 K(o=0.83,f=-4.8!) USER MOD Single : A 8 MET CE :methyl -168:sc=-0.00029 (180deg=-0.215) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 11 ASN : amide:sc= 1.44 K(o=1.4,f=-7.4!) USER MOD Single : A 14 LYS NZ :NH3+ -169:sc=-0.00838 (180deg=-0.146) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.0194 X(o=0.019,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.285 X(o=-0.29,f=-0.73) USER MOD Single : A 57 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00273) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0.679 (180deg=0.643) USER MOD Single : A 66 MET CE :methyl 165:sc=-0.00882 (180deg=-0.301) USER MOD Single : A 70 HIS : no HE2:sc= -2.92! C(o=-2.9!,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 164:sc= -0.0222 (180deg=-0.382) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= 0.029 K(o=0.029,f=-5.7!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.35 X(o=-0.35,f=0.0071) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= 0.606 (180deg=0.266) USER MOD Single : A 95 HIS : no HD1:sc= 1.07 K(o=1.1,f=-4.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.61 K(o=-1.6,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.152 USER MOD Single : A 112 MET CE :methyl 173:sc= -0.0546 (180deg=-0.143) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -167:sc= 0.937 (180deg=0.822) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.108 -17.302 1.321 1.00 11.14 N ATOM 2 CA SER A 1 13.178 -16.253 1.544 1.00 71.00 C ATOM 3 C SER A 1 13.721 -15.615 0.268 1.00 63.23 C ATOM 4 O SER A 1 13.844 -14.394 0.169 1.00 23.21 O ATOM 5 CB SER A 1 14.336 -16.907 2.358 1.00 15.31 C ATOM 6 OG SER A 1 15.368 -15.977 2.693 1.00 14.12 O ATOM 0 H1 SER A 1 11.797 -17.681 2.238 1.00 11.14 H new ATOM 0 H2 SER A 1 11.297 -16.872 0.831 1.00 11.14 H new ATOM 0 H3 SER A 1 12.494 -18.074 0.740 1.00 11.14 H new ATOM 0 HA SER A 1 12.714 -15.432 2.090 1.00 71.00 H new ATOM 0 HB2 SER A 1 13.932 -17.340 3.273 1.00 15.31 H new ATOM 0 HB3 SER A 1 14.764 -17.726 1.780 1.00 15.31 H new ATOM 0 HG SER A 1 16.068 -16.435 3.203 1.00 14.12 H new ATOM 14 N LYS A 2 14.039 -16.427 -0.767 1.00 52.21 N ATOM 15 CA LYS A 2 14.705 -16.003 -1.986 1.00 53.02 C ATOM 16 C LYS A 2 13.911 -15.028 -2.836 1.00 22.43 C ATOM 17 O LYS A 2 14.472 -14.106 -3.421 1.00 22.14 O ATOM 18 CB LYS A 2 15.144 -17.235 -2.829 1.00 14.02 C ATOM 19 CG LYS A 2 14.012 -18.127 -3.378 1.00 73.04 C ATOM 20 CD LYS A 2 14.521 -19.364 -4.147 1.00 22.34 C ATOM 21 CE LYS A 2 15.240 -19.033 -5.457 1.00 3.50 C ATOM 22 NZ LYS A 2 15.619 -20.285 -6.142 1.00 53.43 N ATOM 0 H LYS A 2 13.825 -17.424 -0.760 1.00 52.21 H new ATOM 0 HA LYS A 2 15.584 -15.449 -1.656 1.00 53.02 H new ATOM 0 HB2 LYS A 2 15.738 -16.879 -3.671 1.00 14.02 H new ATOM 0 HB3 LYS A 2 15.799 -17.853 -2.215 1.00 14.02 H new ATOM 0 HG2 LYS A 2 13.386 -18.457 -2.549 1.00 73.04 H new ATOM 0 HG3 LYS A 2 13.380 -17.533 -4.038 1.00 73.04 H new ATOM 0 HD2 LYS A 2 15.200 -19.924 -3.504 1.00 22.34 H new ATOM 0 HD3 LYS A 2 13.676 -20.017 -4.364 1.00 22.34 H new ATOM 0 HE2 LYS A 2 14.592 -18.437 -6.099 1.00 3.50 H new ATOM 0 HE3 LYS A 2 16.128 -18.433 -5.255 1.00 3.50 H new ATOM 0 HZ1 LYS A 2 16.107 -20.060 -7.032 1.00 53.43 H new ATOM 0 HZ2 LYS A 2 16.252 -20.838 -5.530 1.00 53.43 H new ATOM 0 HZ3 LYS A 2 14.764 -20.841 -6.347 1.00 53.43 H new ATOM 36 N GLU A 3 12.566 -15.184 -2.889 1.00 62.41 N ATOM 37 CA GLU A 3 11.670 -14.303 -3.620 1.00 32.40 C ATOM 38 C GLU A 3 11.209 -13.114 -2.819 1.00 11.20 C ATOM 39 O GLU A 3 10.404 -12.300 -3.263 1.00 3.55 O ATOM 40 CB GLU A 3 10.447 -15.076 -4.193 1.00 64.04 C ATOM 41 CG GLU A 3 9.460 -15.637 -3.136 1.00 21.22 C ATOM 42 CD GLU A 3 8.312 -16.416 -3.785 1.00 3.23 C ATOM 43 OE1 GLU A 3 7.142 -15.985 -3.621 1.00 14.15 O ATOM 44 OE2 GLU A 3 8.604 -17.456 -4.430 1.00 52.44 O ATOM 0 H GLU A 3 12.081 -15.944 -2.411 1.00 62.41 H new ATOM 0 HA GLU A 3 12.261 -13.914 -4.449 1.00 32.40 H new ATOM 0 HB2 GLU A 3 9.899 -14.411 -4.861 1.00 64.04 H new ATOM 0 HB3 GLU A 3 10.814 -15.905 -4.799 1.00 64.04 H new ATOM 0 HG2 GLU A 3 9.997 -16.289 -2.447 1.00 21.22 H new ATOM 0 HG3 GLU A 3 9.054 -14.815 -2.546 1.00 21.22 H new ATOM 51 N VAL A 4 11.727 -13.028 -1.593 1.00 4.40 N ATOM 52 CA VAL A 4 11.350 -12.020 -0.610 1.00 13.25 C ATOM 53 C VAL A 4 12.501 -11.045 -0.497 1.00 73.31 C ATOM 54 O VAL A 4 12.378 -9.844 -0.726 1.00 22.12 O ATOM 55 CB VAL A 4 11.136 -12.595 0.792 1.00 63.44 C ATOM 56 CG1 VAL A 4 10.705 -11.496 1.784 1.00 34.25 C ATOM 57 CG2 VAL A 4 10.182 -13.795 0.792 1.00 12.32 C ATOM 0 H VAL A 4 12.438 -13.675 -1.251 1.00 4.40 H new ATOM 0 HA VAL A 4 10.415 -11.571 -0.946 1.00 13.25 H new ATOM 0 HB VAL A 4 12.096 -12.980 1.136 1.00 63.44 H new ATOM 0 HG11 VAL A 4 10.560 -11.934 2.772 1.00 34.25 H new ATOM 0 HG12 VAL A 4 11.478 -10.730 1.837 1.00 34.25 H new ATOM 0 HG13 VAL A 4 9.771 -11.047 1.446 1.00 34.25 H new ATOM 0 HG21 VAL A 4 10.064 -14.166 1.810 1.00 12.32 H new ATOM 0 HG22 VAL A 4 9.211 -13.488 0.403 1.00 12.32 H new ATOM 0 HG23 VAL A 4 10.592 -14.586 0.163 1.00 12.32 H new ATOM 67 N MET A 5 13.650 -11.628 -0.095 1.00 14.34 N ATOM 68 CA MET A 5 14.935 -11.117 0.278 1.00 11.24 C ATOM 69 C MET A 5 14.918 -9.937 1.221 1.00 65.31 C ATOM 70 O MET A 5 15.718 -9.006 1.134 1.00 53.52 O ATOM 71 CB MET A 5 15.875 -10.883 -0.947 1.00 2.14 C ATOM 72 CG MET A 5 15.389 -9.863 -2.000 1.00 63.32 C ATOM 73 SD MET A 5 16.535 -9.613 -3.395 1.00 13.21 S ATOM 74 CE MET A 5 16.277 -11.219 -4.207 1.00 21.54 C ATOM 0 H MET A 5 13.668 -12.645 -0.022 1.00 14.34 H new ATOM 0 HA MET A 5 15.366 -11.925 0.870 1.00 11.24 H new ATOM 0 HB2 MET A 5 16.845 -10.554 -0.575 1.00 2.14 H new ATOM 0 HB3 MET A 5 16.032 -11.840 -1.445 1.00 2.14 H new ATOM 0 HG2 MET A 5 14.427 -10.194 -2.391 1.00 63.32 H new ATOM 0 HG3 MET A 5 15.220 -8.905 -1.509 1.00 63.32 H new ATOM 0 HE1 MET A 5 16.676 -11.182 -5.221 1.00 21.54 H new ATOM 0 HE2 MET A 5 16.790 -11.998 -3.643 1.00 21.54 H new ATOM 0 HE3 MET A 5 15.210 -11.441 -4.244 1.00 21.54 H new ATOM 84 N LYS A 6 14.003 -10.004 2.204 1.00 22.43 N ATOM 85 CA LYS A 6 13.859 -9.022 3.239 1.00 23.11 C ATOM 86 C LYS A 6 13.596 -9.775 4.526 1.00 61.45 C ATOM 87 O LYS A 6 12.892 -10.785 4.522 1.00 52.54 O ATOM 88 CB LYS A 6 12.702 -8.035 2.926 1.00 24.45 C ATOM 89 CG LYS A 6 12.479 -6.903 3.947 1.00 32.11 C ATOM 90 CD LYS A 6 13.664 -5.927 4.057 1.00 13.13 C ATOM 91 CE LYS A 6 13.377 -4.752 4.992 1.00 34.22 C ATOM 92 NZ LYS A 6 14.559 -3.871 5.052 1.00 40.11 N ATOM 0 H LYS A 6 13.336 -10.772 2.283 1.00 22.43 H new ATOM 0 HA LYS A 6 14.763 -8.418 3.320 1.00 23.11 H new ATOM 0 HB2 LYS A 6 12.890 -7.585 1.951 1.00 24.45 H new ATOM 0 HB3 LYS A 6 11.778 -8.606 2.841 1.00 24.45 H new ATOM 0 HG2 LYS A 6 11.585 -6.345 3.668 1.00 32.11 H new ATOM 0 HG3 LYS A 6 12.289 -7.341 4.927 1.00 32.11 H new ATOM 0 HD2 LYS A 6 14.541 -6.466 4.416 1.00 13.13 H new ATOM 0 HD3 LYS A 6 13.908 -5.546 3.066 1.00 13.13 H new ATOM 0 HE2 LYS A 6 12.511 -4.193 4.636 1.00 34.22 H new ATOM 0 HE3 LYS A 6 13.132 -5.118 5.989 1.00 34.22 H new ATOM 0 HZ1 LYS A 6 14.364 -3.072 5.688 1.00 40.11 H new ATOM 0 HZ2 LYS A 6 15.374 -4.408 5.411 1.00 40.11 H new ATOM 0 HZ3 LYS A 6 14.773 -3.512 4.100 1.00 40.11 H new ATOM 106 N GLN A 7 14.197 -9.336 5.655 1.00 32.13 N ATOM 107 CA GLN A 7 14.020 -9.932 6.963 1.00 55.55 C ATOM 108 C GLN A 7 12.593 -9.777 7.478 1.00 31.30 C ATOM 109 O GLN A 7 11.988 -8.711 7.378 1.00 33.24 O ATOM 110 CB GLN A 7 14.989 -9.313 8.010 1.00 1.11 C ATOM 111 CG GLN A 7 16.498 -9.562 7.747 1.00 75.41 C ATOM 112 CD GLN A 7 17.103 -8.623 6.692 1.00 13.40 C ATOM 113 OE1 GLN A 7 16.437 -7.768 6.102 1.00 74.20 O ATOM 114 NE2 GLN A 7 18.428 -8.796 6.441 1.00 10.31 N ATOM 0 H GLN A 7 14.831 -8.537 5.663 1.00 32.13 H new ATOM 0 HA GLN A 7 14.241 -10.992 6.838 1.00 55.55 H new ATOM 0 HB2 GLN A 7 14.817 -8.237 8.049 1.00 1.11 H new ATOM 0 HB3 GLN A 7 14.738 -9.712 8.993 1.00 1.11 H new ATOM 0 HG2 GLN A 7 17.045 -9.444 8.682 1.00 75.41 H new ATOM 0 HG3 GLN A 7 16.636 -10.594 7.425 1.00 75.41 H new ATOM 0 HE21 GLN A 7 18.953 -9.511 6.944 1.00 10.31 H new ATOM 0 HE22 GLN A 7 18.897 -8.211 5.749 1.00 10.31 H new ATOM 123 N MET A 8 12.029 -10.859 8.058 1.00 33.43 N ATOM 124 CA MET A 8 10.663 -10.892 8.538 1.00 61.44 C ATOM 125 C MET A 8 10.675 -11.399 9.965 1.00 64.51 C ATOM 126 O MET A 8 11.530 -12.197 10.346 1.00 43.20 O ATOM 127 CB MET A 8 9.756 -11.821 7.686 1.00 30.01 C ATOM 128 CG MET A 8 9.590 -11.376 6.215 1.00 3.33 C ATOM 129 SD MET A 8 8.832 -9.735 5.974 1.00 11.23 S ATOM 130 CE MET A 8 7.153 -10.157 6.523 1.00 31.14 C ATOM 0 H MET A 8 12.530 -11.736 8.200 1.00 33.43 H new ATOM 0 HA MET A 8 10.256 -9.883 8.469 1.00 61.44 H new ATOM 0 HB2 MET A 8 10.170 -12.829 7.703 1.00 30.01 H new ATOM 0 HB3 MET A 8 8.771 -11.873 8.151 1.00 30.01 H new ATOM 0 HG2 MET A 8 10.571 -11.377 5.740 1.00 3.33 H new ATOM 0 HG3 MET A 8 8.983 -12.117 5.695 1.00 3.33 H new ATOM 0 HE1 MET A 8 6.470 -9.350 6.257 1.00 31.14 H new ATOM 0 HE2 MET A 8 6.832 -11.079 6.038 1.00 31.14 H new ATOM 0 HE3 MET A 8 7.148 -10.295 7.604 1.00 31.14 H new ATOM 140 N THR A 9 9.720 -10.931 10.795 1.00 1.43 N ATOM 141 CA THR A 9 9.534 -11.411 12.154 1.00 20.32 C ATOM 142 C THR A 9 8.042 -11.384 12.409 1.00 63.20 C ATOM 143 O THR A 9 7.283 -10.883 11.579 1.00 74.11 O ATOM 144 CB THR A 9 10.315 -10.612 13.205 1.00 10.12 C ATOM 145 OG1 THR A 9 10.292 -11.257 14.475 1.00 63.30 O ATOM 146 CG2 THR A 9 9.785 -9.173 13.364 1.00 0.15 C ATOM 0 H THR A 9 9.058 -10.203 10.526 1.00 1.43 H new ATOM 0 HA THR A 9 9.938 -12.419 12.249 1.00 20.32 H new ATOM 0 HB THR A 9 11.341 -10.564 12.840 1.00 10.12 H new ATOM 0 HG1 THR A 9 10.800 -10.724 15.122 1.00 63.30 H new ATOM 0 HG21 THR A 9 10.372 -8.651 14.119 1.00 0.15 H new ATOM 0 HG22 THR A 9 9.868 -8.648 12.413 1.00 0.15 H new ATOM 0 HG23 THR A 9 8.740 -9.202 13.672 1.00 0.15 H new ATOM 154 N ILE A 10 7.581 -11.943 13.551 1.00 10.53 N ATOM 155 CA ILE A 10 6.175 -12.021 13.924 1.00 3.43 C ATOM 156 C ILE A 10 5.575 -10.638 14.168 1.00 53.20 C ATOM 157 O ILE A 10 6.183 -9.767 14.790 1.00 54.42 O ATOM 158 CB ILE A 10 5.967 -12.964 15.120 1.00 41.32 C ATOM 159 CG1 ILE A 10 4.478 -13.277 15.418 1.00 12.05 C ATOM 160 CG2 ILE A 10 6.682 -12.430 16.383 1.00 24.41 C ATOM 161 CD1 ILE A 10 3.747 -14.017 14.292 1.00 63.22 C ATOM 0 H ILE A 10 8.201 -12.358 14.246 1.00 10.53 H new ATOM 0 HA ILE A 10 5.634 -12.449 13.080 1.00 3.43 H new ATOM 0 HB ILE A 10 6.421 -13.912 14.831 1.00 41.32 H new ATOM 0 HG12 ILE A 10 4.420 -13.876 16.327 1.00 12.05 H new ATOM 0 HG13 ILE A 10 3.956 -12.341 15.619 1.00 12.05 H new ATOM 0 HG21 ILE A 10 6.517 -13.118 17.213 1.00 24.41 H new ATOM 0 HG22 ILE A 10 7.751 -12.346 16.188 1.00 24.41 H new ATOM 0 HG23 ILE A 10 6.282 -11.449 16.640 1.00 24.41 H new ATOM 0 HD11 ILE A 10 2.712 -14.195 14.585 1.00 63.22 H new ATOM 0 HD12 ILE A 10 3.768 -13.412 13.385 1.00 63.22 H new ATOM 0 HD13 ILE A 10 4.240 -14.971 14.104 1.00 63.22 H new ATOM 173 N ASN A 11 4.364 -10.378 13.624 1.00 71.30 N ATOM 174 CA ASN A 11 3.771 -9.064 13.690 1.00 34.15 C ATOM 175 C ASN A 11 2.267 -9.190 13.493 1.00 54.04 C ATOM 176 O ASN A 11 1.755 -10.280 13.243 1.00 45.55 O ATOM 177 CB ASN A 11 4.412 -8.104 12.633 1.00 35.13 C ATOM 178 CG ASN A 11 4.167 -8.544 11.184 1.00 44.53 C ATOM 179 OD1 ASN A 11 3.123 -8.188 10.627 1.00 55.31 O ATOM 180 ND2 ASN A 11 5.099 -9.311 10.569 1.00 12.33 N ATOM 0 H ASN A 11 3.796 -11.073 13.140 1.00 71.30 H new ATOM 0 HA ASN A 11 3.964 -8.626 14.669 1.00 34.15 H new ATOM 0 HB2 ASN A 11 4.010 -7.101 12.773 1.00 35.13 H new ATOM 0 HB3 ASN A 11 5.486 -8.045 12.811 1.00 35.13 H new ATOM 0 HD21 ASN A 11 4.953 -9.618 9.607 1.00 12.33 H new ATOM 0 HD22 ASN A 11 5.947 -9.581 11.068 1.00 12.33 H new ATOM 187 N PHE A 12 1.539 -8.055 13.589 1.00 54.41 N ATOM 188 CA PHE A 12 0.131 -7.939 13.248 1.00 14.51 C ATOM 189 C PHE A 12 -0.072 -6.873 12.174 1.00 42.04 C ATOM 190 O PHE A 12 -1.157 -6.318 12.013 1.00 41.05 O ATOM 191 CB PHE A 12 -0.732 -7.657 14.522 1.00 63.32 C ATOM 192 CG PHE A 12 -0.347 -6.408 15.284 1.00 24.14 C ATOM 193 CD1 PHE A 12 -0.945 -5.168 14.994 1.00 53.21 C ATOM 194 CD2 PHE A 12 0.603 -6.474 16.319 1.00 1.33 C ATOM 195 CE1 PHE A 12 -0.598 -4.019 15.717 1.00 42.24 C ATOM 196 CE2 PHE A 12 0.957 -5.327 17.041 1.00 45.44 C ATOM 197 CZ PHE A 12 0.356 -4.098 16.739 1.00 30.34 C ATOM 0 H PHE A 12 1.941 -7.177 13.917 1.00 54.41 H new ATOM 0 HA PHE A 12 -0.207 -8.890 12.837 1.00 14.51 H new ATOM 0 HB2 PHE A 12 -1.778 -7.577 14.225 1.00 63.32 H new ATOM 0 HB3 PHE A 12 -0.656 -8.513 15.192 1.00 63.32 H new ATOM 0 HD1 PHE A 12 -1.680 -5.101 14.205 1.00 53.21 H new ATOM 0 HD2 PHE A 12 1.065 -7.420 16.560 1.00 1.33 H new ATOM 0 HE1 PHE A 12 -1.066 -3.073 15.486 1.00 42.24 H new ATOM 0 HE2 PHE A 12 1.692 -5.390 17.829 1.00 45.44 H new ATOM 0 HZ PHE A 12 0.628 -3.212 17.294 1.00 30.34 H new ATOM 207 N ALA A 13 0.991 -6.542 11.406 1.00 51.03 N ATOM 208 CA ALA A 13 1.026 -5.392 10.529 1.00 42.14 C ATOM 209 C ALA A 13 0.317 -5.556 9.203 1.00 40.03 C ATOM 210 O ALA A 13 -0.140 -4.564 8.637 1.00 34.04 O ATOM 211 CB ALA A 13 2.480 -4.973 10.261 1.00 20.13 C ATOM 0 H ALA A 13 1.853 -7.087 11.392 1.00 51.03 H new ATOM 0 HA ALA A 13 0.474 -4.624 11.071 1.00 42.14 H new ATOM 0 HB1 ALA A 13 2.493 -4.107 9.600 1.00 20.13 H new ATOM 0 HB2 ALA A 13 2.965 -4.718 11.203 1.00 20.13 H new ATOM 0 HB3 ALA A 13 3.015 -5.797 9.790 1.00 20.13 H new ATOM 217 N LYS A 14 0.182 -6.792 8.662 1.00 11.10 N ATOM 218 CA LYS A 14 -0.463 -7.019 7.379 1.00 23.54 C ATOM 219 C LYS A 14 -1.928 -6.581 7.344 1.00 64.12 C ATOM 220 O LYS A 14 -2.272 -5.870 6.397 1.00 32.33 O ATOM 221 CB LYS A 14 -0.372 -8.502 6.906 1.00 14.34 C ATOM 222 CG LYS A 14 1.012 -8.962 6.398 1.00 71.43 C ATOM 223 CD LYS A 14 2.066 -9.236 7.487 1.00 75.42 C ATOM 224 CE LYS A 14 3.388 -9.798 6.953 1.00 13.24 C ATOM 225 NZ LYS A 14 3.186 -11.139 6.368 1.00 1.54 N ATOM 0 H LYS A 14 0.520 -7.643 9.112 1.00 11.10 H new ATOM 0 HA LYS A 14 0.101 -6.390 6.691 1.00 23.54 H new ATOM 0 HB2 LYS A 14 -0.667 -9.146 7.734 1.00 14.34 H new ATOM 0 HB3 LYS A 14 -1.100 -8.655 6.109 1.00 14.34 H new ATOM 0 HG2 LYS A 14 0.879 -9.870 5.810 1.00 71.43 H new ATOM 0 HG3 LYS A 14 1.403 -8.200 5.724 1.00 71.43 H new ATOM 0 HD2 LYS A 14 2.268 -8.309 8.023 1.00 75.42 H new ATOM 0 HD3 LYS A 14 1.651 -9.938 8.210 1.00 75.42 H new ATOM 0 HE2 LYS A 14 3.797 -9.125 6.200 1.00 13.24 H new ATOM 0 HE3 LYS A 14 4.118 -9.854 7.761 1.00 13.24 H new ATOM 0 HZ1 LYS A 14 4.110 -11.580 6.183 1.00 1.54 H new ATOM 0 HZ2 LYS A 14 2.648 -11.730 7.033 1.00 1.54 H new ATOM 0 HZ3 LYS A 14 2.658 -11.053 5.476 1.00 1.54 H new ATOM 239 N PRO A 15 -2.833 -6.872 8.289 1.00 44.44 N ATOM 240 CA PRO A 15 -4.133 -6.219 8.319 1.00 40.45 C ATOM 241 C PRO A 15 -4.073 -4.746 8.668 1.00 5.14 C ATOM 242 O PRO A 15 -4.945 -4.004 8.225 1.00 74.52 O ATOM 243 CB PRO A 15 -4.923 -7.018 9.362 1.00 21.33 C ATOM 244 CG PRO A 15 -3.886 -7.646 10.292 1.00 32.02 C ATOM 245 CD PRO A 15 -2.663 -7.827 9.393 1.00 62.21 C ATOM 0 HA PRO A 15 -4.596 -6.222 7.332 1.00 40.45 H new ATOM 0 HB2 PRO A 15 -5.602 -6.370 9.917 1.00 21.33 H new ATOM 0 HB3 PRO A 15 -5.533 -7.785 8.885 1.00 21.33 H new ATOM 0 HG2 PRO A 15 -3.667 -7.001 11.143 1.00 32.02 H new ATOM 0 HG3 PRO A 15 -4.232 -8.598 10.695 1.00 32.02 H new ATOM 0 HD2 PRO A 15 -1.742 -7.631 9.942 1.00 62.21 H new ATOM 0 HD3 PRO A 15 -2.600 -8.849 9.020 1.00 62.21 H new ATOM 253 N MET A 16 -3.081 -4.283 9.459 1.00 21.21 N ATOM 254 CA MET A 16 -3.026 -2.905 9.904 1.00 1.04 C ATOM 255 C MET A 16 -2.700 -1.942 8.761 1.00 35.01 C ATOM 256 O MET A 16 -3.321 -0.889 8.612 1.00 63.04 O ATOM 257 CB MET A 16 -2.009 -2.777 11.060 1.00 30.35 C ATOM 258 CG MET A 16 -2.037 -1.412 11.766 1.00 4.20 C ATOM 259 SD MET A 16 -0.767 -1.249 13.053 1.00 51.53 S ATOM 260 CE MET A 16 -1.338 0.379 13.607 1.00 72.34 C ATOM 0 H MET A 16 -2.311 -4.861 9.795 1.00 21.21 H new ATOM 0 HA MET A 16 -4.014 -2.622 10.267 1.00 1.04 H new ATOM 0 HB2 MET A 16 -2.207 -3.559 11.793 1.00 30.35 H new ATOM 0 HB3 MET A 16 -1.006 -2.953 10.670 1.00 30.35 H new ATOM 0 HG2 MET A 16 -1.899 -0.624 11.026 1.00 4.20 H new ATOM 0 HG3 MET A 16 -3.020 -1.261 12.213 1.00 4.20 H new ATOM 0 HE1 MET A 16 -0.627 0.790 14.323 1.00 72.34 H new ATOM 0 HE2 MET A 16 -1.417 1.048 12.750 1.00 72.34 H new ATOM 0 HE3 MET A 16 -2.314 0.280 14.081 1.00 72.34 H new ATOM 270 N GLU A 17 -1.720 -2.308 7.893 1.00 20.40 N ATOM 271 CA GLU A 17 -1.329 -1.529 6.730 1.00 13.05 C ATOM 272 C GLU A 17 -2.395 -1.555 5.656 1.00 31.22 C ATOM 273 O GLU A 17 -2.594 -0.585 4.924 1.00 35.20 O ATOM 274 CB GLU A 17 0.035 -1.991 6.137 1.00 25.50 C ATOM 275 CG GLU A 17 0.079 -3.413 5.517 1.00 41.34 C ATOM 276 CD GLU A 17 1.474 -3.838 5.047 1.00 50.24 C ATOM 277 OE1 GLU A 17 2.426 -3.022 5.138 1.00 24.21 O ATOM 278 OE2 GLU A 17 1.585 -5.006 4.588 1.00 73.03 O ATOM 0 H GLU A 17 -1.183 -3.169 8.000 1.00 20.40 H new ATOM 0 HA GLU A 17 -1.211 -0.504 7.080 1.00 13.05 H new ATOM 0 HB2 GLU A 17 0.332 -1.276 5.370 1.00 25.50 H new ATOM 0 HB3 GLU A 17 0.784 -1.941 6.927 1.00 25.50 H new ATOM 0 HG2 GLU A 17 -0.281 -4.132 6.253 1.00 41.34 H new ATOM 0 HG3 GLU A 17 -0.607 -3.452 4.671 1.00 41.34 H new ATOM 285 N ALA A 18 -3.139 -2.681 5.558 1.00 3.32 N ATOM 286 CA ALA A 18 -4.313 -2.793 4.728 1.00 21.35 C ATOM 287 C ALA A 18 -5.425 -1.861 5.150 1.00 1.14 C ATOM 288 O ALA A 18 -6.000 -1.189 4.303 1.00 23.23 O ATOM 289 CB ALA A 18 -4.883 -4.210 4.725 1.00 11.30 C ATOM 0 H ALA A 18 -2.920 -3.536 6.069 1.00 3.32 H new ATOM 0 HA ALA A 18 -3.968 -2.520 3.731 1.00 21.35 H new ATOM 0 HB1 ALA A 18 -5.766 -4.246 4.087 1.00 11.30 H new ATOM 0 HB2 ALA A 18 -4.132 -4.903 4.345 1.00 11.30 H new ATOM 0 HB3 ALA A 18 -5.158 -4.494 5.741 1.00 11.30 H new ATOM 295 N CYS A 19 -5.721 -1.739 6.464 1.00 55.02 N ATOM 296 CA CYS A 19 -6.717 -0.799 6.958 1.00 13.20 C ATOM 297 C CYS A 19 -6.329 0.617 6.594 1.00 71.43 C ATOM 298 O CYS A 19 -7.137 1.336 6.026 1.00 70.30 O ATOM 299 CB CYS A 19 -6.869 -0.911 8.491 1.00 40.11 C ATOM 300 SG CYS A 19 -7.661 -2.482 8.927 1.00 11.34 S ATOM 0 H CYS A 19 -5.273 -2.291 7.195 1.00 55.02 H new ATOM 0 HA CYS A 19 -7.670 -1.046 6.491 1.00 13.20 H new ATOM 0 HB2 CYS A 19 -5.891 -0.844 8.967 1.00 40.11 H new ATOM 0 HB3 CYS A 19 -7.464 -0.079 8.867 1.00 40.11 H new ATOM 305 N LYS A 20 -5.059 1.041 6.766 1.00 23.52 N ATOM 306 CA LYS A 20 -4.686 2.432 6.549 1.00 40.35 C ATOM 307 C LYS A 20 -4.978 2.884 5.119 1.00 52.31 C ATOM 308 O LYS A 20 -5.545 3.953 4.888 1.00 50.53 O ATOM 309 CB LYS A 20 -3.191 2.620 6.926 1.00 62.33 C ATOM 310 CG LYS A 20 -2.641 4.064 6.914 1.00 4.51 C ATOM 311 CD LYS A 20 -2.184 4.631 5.560 1.00 71.33 C ATOM 312 CE LYS A 20 -0.809 4.139 5.112 1.00 54.33 C ATOM 313 NZ LYS A 20 -0.482 4.711 3.791 1.00 40.41 N ATOM 0 H LYS A 20 -4.289 0.436 7.052 1.00 23.52 H new ATOM 0 HA LYS A 20 -5.295 3.068 7.192 1.00 40.35 H new ATOM 0 HB2 LYS A 20 -3.039 2.208 7.923 1.00 62.33 H new ATOM 0 HB3 LYS A 20 -2.591 2.023 6.239 1.00 62.33 H new ATOM 0 HG2 LYS A 20 -3.413 4.723 7.313 1.00 4.51 H new ATOM 0 HG3 LYS A 20 -1.796 4.109 7.602 1.00 4.51 H new ATOM 0 HD2 LYS A 20 -2.919 4.365 4.800 1.00 71.33 H new ATOM 0 HD3 LYS A 20 -2.167 5.719 5.621 1.00 71.33 H new ATOM 0 HE2 LYS A 20 -0.053 4.429 5.842 1.00 54.33 H new ATOM 0 HE3 LYS A 20 -0.801 3.050 5.060 1.00 54.33 H new ATOM 0 HZ1 LYS A 20 0.454 4.374 3.489 1.00 40.41 H new ATOM 0 HZ2 LYS A 20 -1.197 4.413 3.097 1.00 40.41 H new ATOM 0 HZ3 LYS A 20 -0.472 5.749 3.855 1.00 40.41 H new ATOM 327 N GLN A 21 -4.659 2.037 4.116 1.00 43.23 N ATOM 328 CA GLN A 21 -4.987 2.350 2.739 1.00 13.14 C ATOM 329 C GLN A 21 -6.441 2.135 2.368 1.00 44.41 C ATOM 330 O GLN A 21 -7.033 2.954 1.671 1.00 5.31 O ATOM 331 CB GLN A 21 -4.114 1.544 1.768 1.00 75.10 C ATOM 332 CG GLN A 21 -4.327 0.023 1.839 1.00 22.15 C ATOM 333 CD GLN A 21 -3.196 -0.773 1.213 1.00 72.24 C ATOM 334 OE1 GLN A 21 -3.119 -1.011 0.008 1.00 21.32 O ATOM 335 NE2 GLN A 21 -2.322 -1.279 2.121 1.00 50.13 N ATOM 0 H GLN A 21 -4.181 1.146 4.248 1.00 43.23 H new ATOM 0 HA GLN A 21 -4.789 3.418 2.652 1.00 13.14 H new ATOM 0 HB2 GLN A 21 -4.316 1.880 0.751 1.00 75.10 H new ATOM 0 HB3 GLN A 21 -3.066 1.762 1.973 1.00 75.10 H new ATOM 0 HG2 GLN A 21 -4.436 -0.273 2.882 1.00 22.15 H new ATOM 0 HG3 GLN A 21 -5.261 -0.230 1.337 1.00 22.15 H new ATOM 0 HE21 GLN A 21 -2.427 -1.053 3.110 1.00 50.13 H new ATOM 0 HE22 GLN A 21 -1.561 -1.885 1.814 1.00 50.13 H new ATOM 344 N GLU A 22 -7.054 1.035 2.864 1.00 11.44 N ATOM 345 CA GLU A 22 -8.427 0.603 2.599 1.00 61.43 C ATOM 346 C GLU A 22 -9.396 1.636 3.053 1.00 72.24 C ATOM 347 O GLU A 22 -10.397 1.925 2.402 1.00 40.14 O ATOM 348 CB GLU A 22 -8.790 -0.736 3.292 1.00 3.23 C ATOM 349 CG GLU A 22 -10.203 -1.264 2.928 1.00 14.31 C ATOM 350 CD GLU A 22 -10.518 -2.636 3.522 1.00 24.30 C ATOM 351 OE1 GLU A 22 -9.911 -3.635 3.053 1.00 70.23 O ATOM 352 OE2 GLU A 22 -11.394 -2.697 4.423 1.00 21.43 O ATOM 0 H GLU A 22 -6.568 0.396 3.494 1.00 11.44 H new ATOM 0 HA GLU A 22 -8.488 0.457 1.521 1.00 61.43 H new ATOM 0 HB2 GLU A 22 -8.050 -1.488 3.020 1.00 3.23 H new ATOM 0 HB3 GLU A 22 -8.728 -0.604 4.372 1.00 3.23 H new ATOM 0 HG2 GLU A 22 -10.949 -0.548 3.274 1.00 14.31 H new ATOM 0 HG3 GLU A 22 -10.292 -1.318 1.843 1.00 14.31 H new ATOM 359 N LEU A 23 -9.082 2.230 4.210 1.00 65.11 N ATOM 360 CA LEU A 23 -9.956 3.204 4.807 1.00 50.52 C ATOM 361 C LEU A 23 -9.710 4.577 4.196 1.00 33.14 C ATOM 362 O LEU A 23 -10.443 5.520 4.486 1.00 32.23 O ATOM 363 CB LEU A 23 -9.723 3.318 6.318 1.00 13.25 C ATOM 364 CG LEU A 23 -9.881 2.026 7.148 1.00 0.32 C ATOM 365 CD1 LEU A 23 -10.168 2.376 8.594 1.00 62.34 C ATOM 366 CD2 LEU A 23 -10.640 0.824 6.582 1.00 73.44 C ATOM 0 H LEU A 23 -8.229 2.044 4.738 1.00 65.11 H new ATOM 0 HA LEU A 23 -10.977 2.873 4.619 1.00 50.52 H new ATOM 0 HB2 LEU A 23 -8.716 3.703 6.478 1.00 13.25 H new ATOM 0 HB3 LEU A 23 -10.415 4.062 6.713 1.00 13.25 H new ATOM 0 HG LEU A 23 -8.903 1.552 7.070 1.00 0.32 H new ATOM 0 HD11 LEU A 23 -10.279 1.460 9.175 1.00 62.34 H new ATOM 0 HD12 LEU A 23 -9.343 2.964 8.997 1.00 62.34 H new ATOM 0 HD13 LEU A 23 -11.089 2.956 8.652 1.00 62.34 H new ATOM 0 HD21 LEU A 23 -10.641 0.017 7.314 1.00 73.44 H new ATOM 0 HD22 LEU A 23 -11.667 1.114 6.360 1.00 73.44 H new ATOM 0 HD23 LEU A 23 -10.153 0.484 5.668 1.00 73.44 H new ATOM 378 N ASN A 24 -8.658 4.701 3.341 1.00 51.12 N ATOM 379 CA ASN A 24 -8.161 5.912 2.727 1.00 33.50 C ATOM 380 C ASN A 24 -7.782 6.996 3.737 1.00 5.31 C ATOM 381 O ASN A 24 -8.120 8.169 3.580 1.00 53.40 O ATOM 382 CB ASN A 24 -9.190 6.459 1.708 1.00 3.44 C ATOM 383 CG ASN A 24 -9.499 5.619 0.460 1.00 0.25 C ATOM 384 OD1 ASN A 24 -10.494 5.905 -0.214 1.00 71.03 O ATOM 385 ND2 ASN A 24 -8.676 4.603 0.107 1.00 43.04 N ATOM 0 H ASN A 24 -8.113 3.886 3.059 1.00 51.12 H new ATOM 0 HA ASN A 24 -7.240 5.640 2.210 1.00 33.50 H new ATOM 0 HB2 ASN A 24 -10.128 6.623 2.239 1.00 3.44 H new ATOM 0 HB3 ASN A 24 -8.839 7.435 1.373 1.00 3.44 H new ATOM 0 HD21 ASN A 24 -8.872 4.056 -0.731 1.00 43.04 H new ATOM 0 HD22 ASN A 24 -7.860 4.385 0.679 1.00 43.04 H new ATOM 392 N VAL A 25 -7.049 6.615 4.805 1.00 54.32 N ATOM 393 CA VAL A 25 -6.711 7.490 5.917 1.00 22.31 C ATOM 394 C VAL A 25 -5.204 7.668 5.978 1.00 3.22 C ATOM 395 O VAL A 25 -4.469 6.854 5.419 1.00 50.32 O ATOM 396 CB VAL A 25 -7.248 6.986 7.260 1.00 53.50 C ATOM 397 CG1 VAL A 25 -8.788 6.985 7.232 1.00 44.44 C ATOM 398 CG2 VAL A 25 -6.702 5.582 7.588 1.00 1.32 C ATOM 0 H VAL A 25 -6.675 5.672 4.908 1.00 54.32 H new ATOM 0 HA VAL A 25 -7.194 8.450 5.737 1.00 22.31 H new ATOM 0 HB VAL A 25 -6.907 7.658 8.048 1.00 53.50 H new ATOM 0 HG11 VAL A 25 -9.169 6.626 8.188 1.00 44.44 H new ATOM 0 HG12 VAL A 25 -9.149 7.998 7.054 1.00 44.44 H new ATOM 0 HG13 VAL A 25 -9.137 6.330 6.434 1.00 44.44 H new ATOM 0 HG21 VAL A 25 -7.101 5.251 8.547 1.00 1.32 H new ATOM 0 HG22 VAL A 25 -7.005 4.883 6.809 1.00 1.32 H new ATOM 0 HG23 VAL A 25 -5.614 5.618 7.641 1.00 1.32 H new ATOM 408 N PRO A 26 -4.663 8.715 6.594 1.00 15.54 N ATOM 409 CA PRO A 26 -3.225 8.871 6.754 1.00 71.35 C ATOM 410 C PRO A 26 -2.635 7.952 7.810 1.00 21.34 C ATOM 411 O PRO A 26 -3.336 7.376 8.641 1.00 14.02 O ATOM 412 CB PRO A 26 -3.070 10.354 7.143 1.00 52.02 C ATOM 413 CG PRO A 26 -4.372 10.685 7.871 1.00 12.22 C ATOM 414 CD PRO A 26 -5.400 9.890 7.071 1.00 3.33 C ATOM 0 HA PRO A 26 -2.685 8.600 5.847 1.00 71.35 H new ATOM 0 HB2 PRO A 26 -2.203 10.509 7.785 1.00 52.02 H new ATOM 0 HB3 PRO A 26 -2.933 10.985 6.265 1.00 52.02 H new ATOM 0 HG2 PRO A 26 -4.343 10.378 8.916 1.00 12.22 H new ATOM 0 HG3 PRO A 26 -4.585 11.754 7.859 1.00 12.22 H new ATOM 0 HD2 PRO A 26 -6.249 9.602 7.691 1.00 3.33 H new ATOM 0 HD3 PRO A 26 -5.796 10.475 6.241 1.00 3.33 H new ATOM 422 N ASP A 27 -1.287 7.858 7.797 1.00 75.33 N ATOM 423 CA ASP A 27 -0.428 7.078 8.671 1.00 75.42 C ATOM 424 C ASP A 27 -0.585 7.567 10.104 1.00 72.22 C ATOM 425 O ASP A 27 -0.500 6.805 11.064 1.00 74.41 O ATOM 426 CB ASP A 27 1.039 7.191 8.165 1.00 33.14 C ATOM 427 CG ASP A 27 2.007 6.271 8.909 1.00 65.14 C ATOM 428 OD1 ASP A 27 2.921 6.811 9.584 1.00 24.33 O ATOM 429 OD2 ASP A 27 1.846 5.031 8.787 1.00 41.01 O ATOM 0 H ASP A 27 -0.740 8.376 7.110 1.00 75.33 H new ATOM 0 HA ASP A 27 -0.709 6.025 8.655 1.00 75.42 H new ATOM 0 HB2 ASP A 27 1.069 6.954 7.101 1.00 33.14 H new ATOM 0 HB3 ASP A 27 1.374 8.223 8.272 1.00 33.14 H new ATOM 434 N ALA A 28 -0.879 8.877 10.230 1.00 20.32 N ATOM 435 CA ALA A 28 -1.144 9.614 11.436 1.00 1.53 C ATOM 436 C ALA A 28 -2.281 9.040 12.257 1.00 51.42 C ATOM 437 O ALA A 28 -2.274 9.127 13.482 1.00 64.30 O ATOM 438 CB ALA A 28 -1.493 11.065 11.075 1.00 24.14 C ATOM 0 H ALA A 28 -0.937 9.478 9.408 1.00 20.32 H new ATOM 0 HA ALA A 28 -0.240 9.553 12.042 1.00 1.53 H new ATOM 0 HB1 ALA A 28 -1.695 11.628 11.986 1.00 24.14 H new ATOM 0 HB2 ALA A 28 -0.656 11.520 10.545 1.00 24.14 H new ATOM 0 HB3 ALA A 28 -2.377 11.079 10.437 1.00 24.14 H new ATOM 444 N VAL A 29 -3.307 8.448 11.616 1.00 41.23 N ATOM 445 CA VAL A 29 -4.459 8.041 12.395 1.00 14.34 C ATOM 446 C VAL A 29 -4.462 6.551 12.680 1.00 33.43 C ATOM 447 O VAL A 29 -5.024 6.117 13.681 1.00 11.43 O ATOM 448 CB VAL A 29 -5.755 8.462 11.759 1.00 43.45 C ATOM 449 CG1 VAL A 29 -5.736 9.961 11.382 1.00 31.33 C ATOM 450 CG2 VAL A 29 -6.252 7.520 10.664 1.00 34.41 C ATOM 0 H VAL A 29 -3.352 8.255 10.615 1.00 41.23 H new ATOM 0 HA VAL A 29 -4.374 8.561 13.349 1.00 14.34 H new ATOM 0 HB VAL A 29 -6.530 8.359 12.518 1.00 43.45 H new ATOM 0 HG11 VAL A 29 -6.687 10.233 10.925 1.00 31.33 H new ATOM 0 HG12 VAL A 29 -5.580 10.560 12.279 1.00 31.33 H new ATOM 0 HG13 VAL A 29 -4.927 10.148 10.676 1.00 31.33 H new ATOM 0 HG21 VAL A 29 -7.191 7.897 10.259 1.00 34.41 H new ATOM 0 HG22 VAL A 29 -5.510 7.464 9.868 1.00 34.41 H new ATOM 0 HG23 VAL A 29 -6.411 6.526 11.083 1.00 34.41 H new ATOM 460 N MET A 30 -3.781 5.711 11.863 1.00 52.12 N ATOM 461 CA MET A 30 -3.511 4.333 12.268 1.00 14.43 C ATOM 462 C MET A 30 -2.560 4.274 13.439 1.00 11.22 C ATOM 463 O MET A 30 -2.683 3.410 14.307 1.00 22.14 O ATOM 464 CB MET A 30 -2.980 3.394 11.142 1.00 54.32 C ATOM 465 CG MET A 30 -1.608 3.732 10.527 1.00 22.33 C ATOM 466 SD MET A 30 -0.817 2.318 9.694 1.00 71.11 S ATOM 467 CE MET A 30 0.682 2.299 10.719 1.00 64.00 C ATOM 0 H MET A 30 -3.421 5.966 10.943 1.00 52.12 H new ATOM 0 HA MET A 30 -4.494 3.955 12.548 1.00 14.43 H new ATOM 0 HB2 MET A 30 -2.929 2.382 11.543 1.00 54.32 H new ATOM 0 HB3 MET A 30 -3.716 3.382 10.338 1.00 54.32 H new ATOM 0 HG2 MET A 30 -1.730 4.544 9.810 1.00 22.33 H new ATOM 0 HG3 MET A 30 -0.947 4.097 11.313 1.00 22.33 H new ATOM 0 HE1 MET A 30 1.339 1.494 10.389 1.00 64.00 H new ATOM 0 HE2 MET A 30 1.201 3.253 10.623 1.00 64.00 H new ATOM 0 HE3 MET A 30 0.408 2.138 11.762 1.00 64.00 H new ATOM 477 N GLN A 31 -1.613 5.239 13.533 1.00 71.12 N ATOM 478 CA GLN A 31 -0.695 5.288 14.642 1.00 4.14 C ATOM 479 C GLN A 31 -1.352 5.726 15.931 1.00 1.41 C ATOM 480 O GLN A 31 -0.921 5.373 17.024 1.00 65.21 O ATOM 481 CB GLN A 31 0.605 6.076 14.302 1.00 20.02 C ATOM 482 CG GLN A 31 0.566 7.590 14.052 1.00 43.43 C ATOM 483 CD GLN A 31 0.625 8.401 15.340 1.00 65.53 C ATOM 484 OE1 GLN A 31 1.629 8.429 16.055 1.00 32.43 O ATOM 485 NE2 GLN A 31 -0.513 9.072 15.634 1.00 52.01 N ATOM 0 H GLN A 31 -1.484 5.981 12.845 1.00 71.12 H new ATOM 0 HA GLN A 31 -0.375 4.262 14.824 1.00 4.14 H new ATOM 0 HB2 GLN A 31 1.306 5.905 15.119 1.00 20.02 H new ATOM 0 HB3 GLN A 31 1.034 5.616 13.412 1.00 20.02 H new ATOM 0 HG2 GLN A 31 1.403 7.870 13.413 1.00 43.43 H new ATOM 0 HG3 GLN A 31 -0.346 7.841 13.511 1.00 43.43 H new ATOM 0 HE21 GLN A 31 -1.315 9.014 15.007 1.00 52.01 H new ATOM 0 HE22 GLN A 31 -0.568 9.635 16.483 1.00 52.01 H new ATOM 494 N ASP A 32 -2.500 6.426 15.829 1.00 64.42 N ATOM 495 CA ASP A 32 -3.325 6.797 16.962 1.00 4.42 C ATOM 496 C ASP A 32 -3.854 5.589 17.728 1.00 31.10 C ATOM 497 O ASP A 32 -3.931 5.615 18.951 1.00 42.32 O ATOM 498 CB ASP A 32 -4.545 7.659 16.545 1.00 22.11 C ATOM 499 CG ASP A 32 -4.256 9.110 16.183 1.00 53.33 C ATOM 500 OD1 ASP A 32 -3.194 9.641 16.590 1.00 54.20 O ATOM 501 OD2 ASP A 32 -5.156 9.716 15.538 1.00 75.32 O ATOM 0 H ASP A 32 -2.873 6.748 14.936 1.00 64.42 H new ATOM 0 HA ASP A 32 -2.662 7.375 17.606 1.00 4.42 H new ATOM 0 HB2 ASP A 32 -5.024 7.182 15.690 1.00 22.11 H new ATOM 0 HB3 ASP A 32 -5.267 7.648 17.362 1.00 22.11 H new ATOM 506 N PHE A 33 -4.223 4.497 17.025 1.00 10.03 N ATOM 507 CA PHE A 33 -4.631 3.248 17.656 1.00 53.12 C ATOM 508 C PHE A 33 -3.564 2.609 18.519 1.00 11.11 C ATOM 509 O PHE A 33 -3.848 2.157 19.621 1.00 34.44 O ATOM 510 CB PHE A 33 -5.202 2.281 16.582 1.00 44.30 C ATOM 511 CG PHE A 33 -5.381 0.829 16.973 1.00 72.35 C ATOM 512 CD1 PHE A 33 -4.722 -0.155 16.215 1.00 10.40 C ATOM 513 CD2 PHE A 33 -6.090 0.432 18.117 1.00 30.42 C ATOM 514 CE1 PHE A 33 -4.799 -1.508 16.566 1.00 75.40 C ATOM 515 CE2 PHE A 33 -6.202 -0.925 18.450 1.00 73.43 C ATOM 516 CZ PHE A 33 -5.555 -1.896 17.678 1.00 64.24 C ATOM 0 H PHE A 33 -4.243 4.468 16.006 1.00 10.03 H new ATOM 0 HA PHE A 33 -5.422 3.488 18.366 1.00 53.12 H new ATOM 0 HB2 PHE A 33 -6.171 2.666 16.264 1.00 44.30 H new ATOM 0 HB3 PHE A 33 -4.544 2.317 15.713 1.00 44.30 H new ATOM 0 HD1 PHE A 33 -4.148 0.138 15.349 1.00 10.40 H new ATOM 0 HD2 PHE A 33 -6.553 1.178 18.746 1.00 30.42 H new ATOM 0 HE1 PHE A 33 -4.277 -2.250 15.980 1.00 75.40 H new ATOM 0 HE2 PHE A 33 -6.790 -1.222 19.306 1.00 73.43 H new ATOM 0 HZ PHE A 33 -5.639 -2.941 17.939 1.00 64.24 H new ATOM 526 N PHE A 34 -2.301 2.539 18.081 1.00 42.32 N ATOM 527 CA PHE A 34 -1.286 2.004 18.970 1.00 44.14 C ATOM 528 C PHE A 34 -0.897 2.885 20.143 1.00 74.20 C ATOM 529 O PHE A 34 -0.660 2.411 21.252 1.00 11.32 O ATOM 530 CB PHE A 34 -0.040 1.555 18.204 1.00 40.21 C ATOM 531 CG PHE A 34 0.898 2.526 17.566 1.00 2.43 C ATOM 532 CD1 PHE A 34 1.991 2.996 18.309 1.00 4.15 C ATOM 533 CD2 PHE A 34 0.860 2.738 16.183 1.00 15.11 C ATOM 534 CE1 PHE A 34 3.061 3.637 17.675 1.00 63.20 C ATOM 535 CE2 PHE A 34 1.962 3.319 15.536 1.00 23.41 C ATOM 536 CZ PHE A 34 3.056 3.779 16.282 1.00 44.44 C ATOM 0 H PHE A 34 -1.976 2.833 17.160 1.00 42.32 H new ATOM 0 HA PHE A 34 -1.776 1.140 19.419 1.00 44.14 H new ATOM 0 HB2 PHE A 34 0.553 0.955 18.895 1.00 40.21 H new ATOM 0 HB3 PHE A 34 -0.382 0.886 17.414 1.00 40.21 H new ATOM 0 HD1 PHE A 34 2.007 2.862 19.381 1.00 4.15 H new ATOM 0 HD2 PHE A 34 -0.014 2.455 15.615 1.00 15.11 H new ATOM 0 HE1 PHE A 34 3.886 4.020 18.257 1.00 63.20 H new ATOM 0 HE2 PHE A 34 1.967 3.412 14.460 1.00 23.41 H new ATOM 0 HZ PHE A 34 3.894 4.242 15.783 1.00 44.44 H new ATOM 546 N ASN A 35 -0.910 4.208 19.916 1.00 31.20 N ATOM 547 CA ASN A 35 -0.776 5.240 20.926 1.00 44.11 C ATOM 548 C ASN A 35 -1.894 5.268 21.961 1.00 5.13 C ATOM 549 O ASN A 35 -1.707 5.772 23.064 1.00 43.10 O ATOM 550 CB ASN A 35 -0.654 6.622 20.258 1.00 12.34 C ATOM 551 CG ASN A 35 0.754 6.870 19.712 1.00 61.22 C ATOM 552 OD1 ASN A 35 1.678 7.147 20.480 1.00 62.24 O ATOM 553 ND2 ASN A 35 0.910 6.820 18.372 1.00 64.12 N ATOM 0 H ASN A 35 -1.020 4.592 18.978 1.00 31.20 H new ATOM 0 HA ASN A 35 0.132 4.992 21.475 1.00 44.11 H new ATOM 0 HB2 ASN A 35 -1.377 6.698 19.446 1.00 12.34 H new ATOM 0 HB3 ASN A 35 -0.905 7.398 20.981 1.00 12.34 H new ATOM 0 HD21 ASN A 35 1.821 7.016 17.957 1.00 64.12 H new ATOM 0 HD22 ASN A 35 0.117 6.586 17.775 1.00 64.12 H new ATOM 560 N PHE A 36 -3.069 4.689 21.646 1.00 1.43 N ATOM 561 CA PHE A 36 -4.239 4.561 22.499 1.00 73.12 C ATOM 562 C PHE A 36 -3.917 3.820 23.786 1.00 13.01 C ATOM 563 O PHE A 36 -4.395 4.171 24.862 1.00 64.12 O ATOM 564 CB PHE A 36 -5.347 3.826 21.691 1.00 31.02 C ATOM 565 CG PHE A 36 -6.661 3.704 22.389 1.00 64.34 C ATOM 566 CD1 PHE A 36 -6.911 2.635 23.261 1.00 22.01 C ATOM 567 CD2 PHE A 36 -7.674 4.639 22.143 1.00 32.24 C ATOM 568 CE1 PHE A 36 -8.145 2.517 23.903 1.00 71.15 C ATOM 569 CE2 PHE A 36 -8.895 4.549 22.812 1.00 4.20 C ATOM 570 CZ PHE A 36 -9.128 3.479 23.677 1.00 74.22 C ATOM 0 H PHE A 36 -3.223 4.275 20.726 1.00 1.43 H new ATOM 0 HA PHE A 36 -4.585 5.552 22.794 1.00 73.12 H new ATOM 0 HB2 PHE A 36 -5.500 4.354 20.750 1.00 31.02 H new ATOM 0 HB3 PHE A 36 -4.991 2.826 21.441 1.00 31.02 H new ATOM 0 HD1 PHE A 36 -6.143 1.897 23.437 1.00 22.01 H new ATOM 0 HD2 PHE A 36 -7.509 5.434 21.431 1.00 32.24 H new ATOM 0 HE1 PHE A 36 -8.336 1.688 24.568 1.00 71.15 H new ATOM 0 HE2 PHE A 36 -9.654 5.302 22.662 1.00 4.20 H new ATOM 0 HZ PHE A 36 -10.081 3.395 24.177 1.00 74.22 H new ATOM 580 N TRP A 37 -3.106 2.748 23.689 1.00 44.23 N ATOM 581 CA TRP A 37 -2.808 1.856 24.790 1.00 60.50 C ATOM 582 C TRP A 37 -1.733 2.422 25.706 1.00 12.23 C ATOM 583 O TRP A 37 -1.488 1.891 26.788 1.00 51.43 O ATOM 584 CB TRP A 37 -2.355 0.487 24.237 1.00 42.43 C ATOM 585 CG TRP A 37 -3.389 -0.113 23.300 1.00 53.24 C ATOM 586 CD1 TRP A 37 -3.239 -0.290 21.954 1.00 42.45 C ATOM 587 CD2 TRP A 37 -4.774 -0.389 23.595 1.00 72.44 C ATOM 588 NE1 TRP A 37 -4.423 -0.702 21.388 1.00 2.35 N ATOM 589 CE2 TRP A 37 -5.382 -0.751 22.375 1.00 32.35 C ATOM 590 CE3 TRP A 37 -5.516 -0.340 24.780 1.00 51.43 C ATOM 591 CZ2 TRP A 37 -6.732 -1.051 22.317 1.00 33.54 C ATOM 592 CZ3 TRP A 37 -6.890 -0.629 24.709 1.00 22.12 C ATOM 593 CH2 TRP A 37 -7.496 -0.957 23.486 1.00 21.44 C ATOM 0 H TRP A 37 -2.639 2.487 22.821 1.00 44.23 H new ATOM 0 HA TRP A 37 -3.717 1.740 25.381 1.00 60.50 H new ATOM 0 HB2 TRP A 37 -1.409 0.604 23.708 1.00 42.43 H new ATOM 0 HB3 TRP A 37 -2.174 -0.198 25.065 1.00 42.43 H new ATOM 0 HD1 TRP A 37 -2.320 -0.129 21.410 1.00 42.45 H new ATOM 0 HE1 TRP A 37 -4.566 -0.932 20.405 1.00 2.35 H new ATOM 0 HE3 TRP A 37 -5.048 -0.088 25.720 1.00 51.43 H new ATOM 0 HZ2 TRP A 37 -7.188 -1.352 21.386 1.00 33.54 H new ATOM 0 HZ3 TRP A 37 -7.488 -0.598 25.608 1.00 22.12 H new ATOM 0 HH2 TRP A 37 -8.560 -1.138 23.447 1.00 21.44 H new ATOM 604 N LYS A 38 -1.057 3.521 25.289 1.00 45.55 N ATOM 605 CA LYS A 38 -0.038 4.190 26.080 1.00 4.34 C ATOM 606 C LYS A 38 -0.621 4.803 27.352 1.00 31.44 C ATOM 607 O LYS A 38 -1.650 5.480 27.333 1.00 34.44 O ATOM 608 CB LYS A 38 0.668 5.306 25.263 1.00 35.32 C ATOM 609 CG LYS A 38 1.855 6.011 25.954 1.00 54.51 C ATOM 610 CD LYS A 38 3.058 5.101 26.282 1.00 30.14 C ATOM 611 CE LYS A 38 3.712 4.460 25.055 1.00 5.12 C ATOM 612 NZ LYS A 38 4.899 3.686 25.471 1.00 12.33 N ATOM 0 H LYS A 38 -1.218 3.959 24.382 1.00 45.55 H new ATOM 0 HA LYS A 38 0.689 3.426 26.355 1.00 4.34 H new ATOM 0 HB2 LYS A 38 1.024 4.873 24.328 1.00 35.32 H new ATOM 0 HB3 LYS A 38 -0.074 6.061 25.002 1.00 35.32 H new ATOM 0 HG2 LYS A 38 2.198 6.823 25.313 1.00 54.51 H new ATOM 0 HG3 LYS A 38 1.499 6.464 26.879 1.00 54.51 H new ATOM 0 HD2 LYS A 38 3.807 5.686 26.815 1.00 30.14 H new ATOM 0 HD3 LYS A 38 2.729 4.312 26.958 1.00 30.14 H new ATOM 0 HE2 LYS A 38 2.999 3.808 24.550 1.00 5.12 H new ATOM 0 HE3 LYS A 38 4.001 5.231 24.340 1.00 5.12 H new ATOM 0 HZ1 LYS A 38 5.341 3.252 24.635 1.00 12.33 H new ATOM 0 HZ2 LYS A 38 5.582 4.319 25.934 1.00 12.33 H new ATOM 0 HZ3 LYS A 38 4.612 2.941 26.137 1.00 12.33 H new ATOM 626 N GLU A 39 0.030 4.585 28.519 1.00 75.24 N ATOM 627 CA GLU A 39 -0.424 5.161 29.770 1.00 62.43 C ATOM 628 C GLU A 39 -0.278 6.677 29.768 1.00 22.04 C ATOM 629 O GLU A 39 0.769 7.222 29.423 1.00 71.13 O ATOM 630 CB GLU A 39 0.343 4.573 30.983 1.00 1.41 C ATOM 631 CG GLU A 39 0.072 3.062 31.198 1.00 45.43 C ATOM 632 CD GLU A 39 0.841 2.501 32.396 1.00 34.31 C ATOM 633 OE1 GLU A 39 1.703 1.611 32.174 1.00 33.14 O ATOM 634 OE2 GLU A 39 0.562 2.952 33.537 1.00 64.55 O ATOM 0 H GLU A 39 0.870 4.012 28.602 1.00 75.24 H new ATOM 0 HA GLU A 39 -1.479 4.905 29.866 1.00 62.43 H new ATOM 0 HB2 GLU A 39 1.412 4.728 30.839 1.00 1.41 H new ATOM 0 HB3 GLU A 39 0.061 5.119 31.883 1.00 1.41 H new ATOM 0 HG2 GLU A 39 -0.996 2.904 31.348 1.00 45.43 H new ATOM 0 HG3 GLU A 39 0.352 2.513 30.299 1.00 45.43 H new ATOM 641 N GLY A 40 -1.358 7.396 30.151 1.00 54.14 N ATOM 642 CA GLY A 40 -1.374 8.851 30.160 1.00 50.14 C ATOM 643 C GLY A 40 -1.839 9.477 28.870 1.00 41.13 C ATOM 644 O GLY A 40 -1.958 10.697 28.801 1.00 51.32 O ATOM 0 H GLY A 40 -2.233 6.972 30.459 1.00 54.14 H new ATOM 0 HA2 GLY A 40 -2.022 9.190 30.968 1.00 50.14 H new ATOM 0 HA3 GLY A 40 -0.370 9.212 30.384 1.00 50.14 H new ATOM 648 N TYR A 41 -2.121 8.684 27.810 1.00 41.40 N ATOM 649 CA TYR A 41 -2.561 9.206 26.526 1.00 15.31 C ATOM 650 C TYR A 41 -4.069 9.182 26.394 1.00 54.23 C ATOM 651 O TYR A 41 -4.737 8.216 26.754 1.00 41.01 O ATOM 652 CB TYR A 41 -1.935 8.451 25.318 1.00 32.24 C ATOM 653 CG TYR A 41 -0.509 8.860 24.994 1.00 65.22 C ATOM 654 CD1 TYR A 41 -0.126 8.820 23.642 1.00 54.34 C ATOM 655 CD2 TYR A 41 0.437 9.310 25.939 1.00 22.34 C ATOM 656 CE1 TYR A 41 1.153 9.218 23.236 1.00 2.04 C ATOM 657 CE2 TYR A 41 1.721 9.709 25.537 1.00 34.03 C ATOM 658 CZ TYR A 41 2.078 9.666 24.185 1.00 74.41 C ATOM 659 OH TYR A 41 3.365 10.074 23.777 1.00 33.21 O ATOM 0 H TYR A 41 -2.045 7.667 27.836 1.00 41.40 H new ATOM 0 HA TYR A 41 -2.212 10.238 26.503 1.00 15.31 H new ATOM 0 HB2 TYR A 41 -1.955 7.381 25.524 1.00 32.24 H new ATOM 0 HB3 TYR A 41 -2.557 8.618 24.439 1.00 32.24 H new ATOM 0 HD1 TYR A 41 -0.833 8.475 22.902 1.00 54.34 H new ATOM 0 HD2 TYR A 41 0.170 9.348 26.985 1.00 22.34 H new ATOM 0 HE1 TYR A 41 1.425 9.179 22.192 1.00 2.04 H new ATOM 0 HE2 TYR A 41 2.435 10.050 26.273 1.00 34.03 H new ATOM 0 HH TYR A 41 3.882 10.357 24.560 1.00 33.21 H new ATOM 669 N GLN A 42 -4.652 10.286 25.867 1.00 24.54 N ATOM 670 CA GLN A 42 -6.048 10.342 25.497 1.00 65.35 C ATOM 671 C GLN A 42 -6.138 10.491 23.994 1.00 53.45 C ATOM 672 O GLN A 42 -5.772 11.517 23.425 1.00 72.43 O ATOM 673 CB GLN A 42 -6.829 11.524 26.143 1.00 32.43 C ATOM 674 CG GLN A 42 -6.973 11.479 27.685 1.00 53.05 C ATOM 675 CD GLN A 42 -5.754 12.051 28.417 1.00 32.12 C ATOM 676 OE1 GLN A 42 -5.595 13.269 28.525 1.00 62.12 O ATOM 677 NE2 GLN A 42 -4.878 11.154 28.934 1.00 74.32 N ATOM 0 H GLN A 42 -4.147 11.155 25.694 1.00 24.54 H new ATOM 0 HA GLN A 42 -6.504 9.421 25.860 1.00 65.35 H new ATOM 0 HB2 GLN A 42 -6.331 12.455 25.871 1.00 32.43 H new ATOM 0 HB3 GLN A 42 -7.827 11.557 25.705 1.00 32.43 H new ATOM 0 HG2 GLN A 42 -7.861 12.039 27.978 1.00 53.05 H new ATOM 0 HG3 GLN A 42 -7.128 10.447 28.000 1.00 53.05 H new ATOM 0 HE21 GLN A 42 -5.046 10.154 28.823 1.00 74.32 H new ATOM 0 HE22 GLN A 42 -4.051 11.479 29.434 1.00 74.32 H new ATOM 686 N ILE A 43 -6.673 9.459 23.320 1.00 4.55 N ATOM 687 CA ILE A 43 -7.024 9.492 21.915 1.00 62.45 C ATOM 688 C ILE A 43 -8.508 9.799 21.800 1.00 4.20 C ATOM 689 O ILE A 43 -9.352 9.130 22.392 1.00 31.20 O ATOM 690 CB ILE A 43 -6.727 8.167 21.255 1.00 44.31 C ATOM 691 CG1 ILE A 43 -5.232 7.788 21.364 1.00 53.23 C ATOM 692 CG2 ILE A 43 -7.211 8.123 19.786 1.00 3.44 C ATOM 693 CD1 ILE A 43 -4.231 8.679 20.616 1.00 1.34 C ATOM 0 H ILE A 43 -6.873 8.561 23.761 1.00 4.55 H new ATOM 0 HA ILE A 43 -6.434 10.259 21.413 1.00 62.45 H new ATOM 0 HB ILE A 43 -7.295 7.416 21.804 1.00 44.31 H new ATOM 0 HG12 ILE A 43 -4.960 7.784 22.419 1.00 53.23 H new ATOM 0 HG13 ILE A 43 -5.114 6.767 21.001 1.00 53.23 H new ATOM 0 HG21 ILE A 43 -6.975 7.150 19.354 1.00 3.44 H new ATOM 0 HG22 ILE A 43 -8.289 8.283 19.753 1.00 3.44 H new ATOM 0 HG23 ILE A 43 -6.711 8.905 19.214 1.00 3.44 H new ATOM 0 HD11 ILE A 43 -3.220 8.304 20.775 1.00 1.34 H new ATOM 0 HD12 ILE A 43 -4.459 8.667 19.550 1.00 1.34 H new ATOM 0 HD13 ILE A 43 -4.302 9.700 20.991 1.00 1.34 H new ATOM 705 N THR A 44 -8.846 10.852 21.029 1.00 73.30 N ATOM 706 CA THR A 44 -10.199 11.381 20.888 1.00 53.22 C ATOM 707 C THR A 44 -10.685 11.320 19.454 1.00 74.40 C ATOM 708 O THR A 44 -11.821 11.684 19.158 1.00 34.32 O ATOM 709 CB THR A 44 -10.326 12.818 21.392 1.00 65.14 C ATOM 710 OG1 THR A 44 -9.442 13.706 20.714 1.00 11.12 O ATOM 711 CG2 THR A 44 -10.009 12.885 22.898 1.00 12.25 C ATOM 0 H THR A 44 -8.160 11.365 20.476 1.00 73.30 H new ATOM 0 HA THR A 44 -10.824 10.739 21.509 1.00 53.22 H new ATOM 0 HB THR A 44 -11.353 13.127 21.198 1.00 65.14 H new ATOM 0 HG1 THR A 44 -9.557 14.614 21.065 1.00 11.12 H new ATOM 0 HG21 THR A 44 -10.103 13.914 23.244 1.00 12.25 H new ATOM 0 HG22 THR A 44 -10.708 12.253 23.445 1.00 12.25 H new ATOM 0 HG23 THR A 44 -8.991 12.536 23.071 1.00 12.25 H new ATOM 719 N ASN A 45 -9.819 10.891 18.512 1.00 3.10 N ATOM 720 CA ASN A 45 -10.000 11.097 17.097 1.00 52.30 C ATOM 721 C ASN A 45 -10.871 10.037 16.464 1.00 23.51 C ATOM 722 O ASN A 45 -10.664 8.843 16.650 1.00 34.11 O ATOM 723 CB ASN A 45 -8.613 11.177 16.413 1.00 13.53 C ATOM 724 CG ASN A 45 -8.730 11.658 14.969 1.00 25.44 C ATOM 725 OD1 ASN A 45 -9.595 12.469 14.629 1.00 31.22 O ATOM 726 ND2 ASN A 45 -7.856 11.111 14.094 1.00 21.12 N ATOM 0 H ASN A 45 -8.964 10.384 18.739 1.00 3.10 H new ATOM 0 HA ASN A 45 -10.529 12.039 16.953 1.00 52.30 H new ATOM 0 HB2 ASN A 45 -7.968 11.855 16.973 1.00 13.53 H new ATOM 0 HB3 ASN A 45 -8.138 10.196 16.434 1.00 13.53 H new ATOM 0 HD21 ASN A 45 -7.896 11.365 13.107 1.00 21.12 H new ATOM 0 HD22 ASN A 45 -7.157 10.444 14.421 1.00 21.12 H new ATOM 733 N ARG A 46 -11.838 10.474 15.630 1.00 5.04 N ATOM 734 CA ARG A 46 -12.863 9.660 15.006 1.00 62.31 C ATOM 735 C ARG A 46 -12.306 8.564 14.117 1.00 31.10 C ATOM 736 O ARG A 46 -12.833 7.457 14.058 1.00 72.23 O ATOM 737 CB ARG A 46 -13.815 10.568 14.204 1.00 64.31 C ATOM 738 CG ARG A 46 -13.150 11.298 13.025 1.00 10.05 C ATOM 739 CD ARG A 46 -14.056 12.396 12.466 1.00 22.04 C ATOM 740 NE ARG A 46 -15.229 11.748 11.792 1.00 21.25 N ATOM 741 CZ ARG A 46 -16.234 12.474 11.218 1.00 63.31 C ATOM 742 NH1 ARG A 46 -16.194 13.835 11.238 1.00 72.54 N ATOM 743 NH2 ARG A 46 -17.274 11.818 10.628 1.00 55.31 N ATOM 0 H ARG A 46 -11.915 11.457 15.370 1.00 5.04 H new ATOM 0 HA ARG A 46 -13.403 9.153 15.806 1.00 62.31 H new ATOM 0 HB2 ARG A 46 -14.639 9.965 13.824 1.00 64.31 H new ATOM 0 HB3 ARG A 46 -14.246 11.308 14.878 1.00 64.31 H new ATOM 0 HG2 ARG A 46 -12.206 11.734 13.351 1.00 10.05 H new ATOM 0 HG3 ARG A 46 -12.915 10.582 12.237 1.00 10.05 H new ATOM 0 HD2 ARG A 46 -14.395 13.052 13.268 1.00 22.04 H new ATOM 0 HD3 ARG A 46 -13.507 13.016 11.757 1.00 22.04 H new ATOM 0 HE ARG A 46 -15.278 10.730 11.761 1.00 21.25 H new ATOM 0 HH11 ARG A 46 -15.412 14.316 11.683 1.00 72.54 H new ATOM 0 HH12 ARG A 46 -16.946 14.374 10.808 1.00 72.54 H new ATOM 0 HH21 ARG A 46 -17.295 10.798 10.619 1.00 55.31 H new ATOM 0 HH22 ARG A 46 -18.031 12.347 10.196 1.00 55.31 H new ATOM 757 N GLU A 47 -11.156 8.829 13.468 1.00 3.31 N ATOM 758 CA GLU A 47 -10.387 7.855 12.743 1.00 72.02 C ATOM 759 C GLU A 47 -9.832 6.736 13.559 1.00 3.11 C ATOM 760 O GLU A 47 -9.683 5.637 13.033 1.00 51.24 O ATOM 761 CB GLU A 47 -9.238 8.507 11.969 1.00 73.24 C ATOM 762 CG GLU A 47 -9.669 9.131 10.629 1.00 72.10 C ATOM 763 CD GLU A 47 -8.797 10.265 10.104 1.00 54.32 C ATOM 764 OE1 GLU A 47 -8.620 11.260 10.857 1.00 33.45 O ATOM 765 OE2 GLU A 47 -8.318 10.155 8.946 1.00 54.43 O ATOM 0 H GLU A 47 -10.742 9.761 13.446 1.00 3.31 H new ATOM 0 HA GLU A 47 -11.118 7.415 12.064 1.00 72.02 H new ATOM 0 HB2 GLU A 47 -8.786 9.280 12.591 1.00 73.24 H new ATOM 0 HB3 GLU A 47 -8.468 7.759 11.780 1.00 73.24 H new ATOM 0 HG2 GLU A 47 -9.696 8.343 9.877 1.00 72.10 H new ATOM 0 HG3 GLU A 47 -10.688 9.504 10.736 1.00 72.10 H new ATOM 772 N ALA A 48 -9.526 6.967 14.852 1.00 53.15 N ATOM 773 CA ALA A 48 -9.025 5.884 15.694 1.00 62.20 C ATOM 774 C ALA A 48 -10.014 4.728 15.762 1.00 41.33 C ATOM 775 O ALA A 48 -9.652 3.576 15.575 1.00 53.30 O ATOM 776 CB ALA A 48 -8.719 6.337 17.145 1.00 42.34 C ATOM 0 H ALA A 48 -9.616 7.870 15.317 1.00 53.15 H new ATOM 0 HA ALA A 48 -8.096 5.563 15.222 1.00 62.20 H new ATOM 0 HB1 ALA A 48 -8.350 5.488 17.721 1.00 42.34 H new ATOM 0 HB2 ALA A 48 -7.962 7.121 17.129 1.00 42.34 H new ATOM 0 HB3 ALA A 48 -9.629 6.720 17.606 1.00 42.34 H new ATOM 782 N GLY A 49 -11.322 5.016 15.915 1.00 12.31 N ATOM 783 CA GLY A 49 -12.369 4.002 15.909 1.00 34.55 C ATOM 784 C GLY A 49 -12.501 3.304 14.599 1.00 55.03 C ATOM 785 O GLY A 49 -12.735 2.100 14.563 1.00 15.12 O ATOM 0 H GLY A 49 -11.672 5.965 16.046 1.00 12.31 H new ATOM 0 HA2 GLY A 49 -12.159 3.267 16.686 1.00 34.55 H new ATOM 0 HA3 GLY A 49 -13.321 4.470 16.162 1.00 34.55 H new ATOM 789 N CYS A 50 -12.351 4.061 13.485 1.00 11.21 N ATOM 790 CA CYS A 50 -12.468 3.552 12.136 1.00 41.32 C ATOM 791 C CYS A 50 -11.389 2.528 11.845 1.00 25.42 C ATOM 792 O CYS A 50 -11.661 1.492 11.244 1.00 35.21 O ATOM 793 CB CYS A 50 -12.386 4.684 11.077 1.00 71.35 C ATOM 794 SG CYS A 50 -13.770 5.878 11.098 1.00 22.34 S ATOM 0 H CYS A 50 -12.142 5.059 13.522 1.00 11.21 H new ATOM 0 HA CYS A 50 -13.449 3.082 12.068 1.00 41.32 H new ATOM 0 HB2 CYS A 50 -11.455 5.230 11.225 1.00 71.35 H new ATOM 0 HB3 CYS A 50 -12.335 4.230 10.087 1.00 71.35 H new ATOM 799 N VAL A 51 -10.131 2.773 12.290 1.00 43.21 N ATOM 800 CA VAL A 51 -9.084 1.767 12.192 1.00 45.33 C ATOM 801 C VAL A 51 -9.344 0.605 13.117 1.00 41.24 C ATOM 802 O VAL A 51 -9.240 -0.540 12.702 1.00 51.43 O ATOM 803 CB VAL A 51 -7.658 2.339 12.324 1.00 4.22 C ATOM 804 CG1 VAL A 51 -7.397 3.168 13.593 1.00 53.31 C ATOM 805 CG2 VAL A 51 -6.630 1.192 12.400 1.00 34.54 C ATOM 0 H VAL A 51 -9.835 3.653 12.713 1.00 43.21 H new ATOM 0 HA VAL A 51 -9.128 1.380 11.174 1.00 45.33 H new ATOM 0 HB VAL A 51 -7.560 2.979 11.447 1.00 4.22 H new ATOM 0 HG11 VAL A 51 -6.367 3.524 13.590 1.00 53.31 H new ATOM 0 HG12 VAL A 51 -8.075 4.021 13.616 1.00 53.31 H new ATOM 0 HG13 VAL A 51 -7.564 2.548 14.474 1.00 53.31 H new ATOM 0 HG21 VAL A 51 -5.627 1.608 12.493 1.00 34.54 H new ATOM 0 HG22 VAL A 51 -6.845 0.567 13.267 1.00 34.54 H new ATOM 0 HG23 VAL A 51 -6.690 0.589 11.494 1.00 34.54 H new ATOM 815 N ILE A 52 -9.789 0.839 14.365 1.00 31.41 N ATOM 816 CA ILE A 52 -9.970 -0.210 15.366 1.00 41.41 C ATOM 817 C ILE A 52 -10.952 -1.281 14.922 1.00 3.22 C ATOM 818 O ILE A 52 -10.687 -2.478 15.039 1.00 41.12 O ATOM 819 CB ILE A 52 -10.406 0.409 16.695 1.00 53.53 C ATOM 820 CG1 ILE A 52 -9.241 1.194 17.328 1.00 1.44 C ATOM 821 CG2 ILE A 52 -10.965 -0.673 17.642 1.00 60.41 C ATOM 822 CD1 ILE A 52 -9.545 2.293 18.370 1.00 33.31 C ATOM 0 H ILE A 52 -10.033 1.770 14.702 1.00 31.41 H new ATOM 0 HA ILE A 52 -9.009 -0.707 15.495 1.00 41.41 H new ATOM 0 HB ILE A 52 -11.213 1.118 16.510 1.00 53.53 H new ATOM 0 HG12 ILE A 52 -8.577 0.470 17.800 1.00 1.44 H new ATOM 0 HG13 ILE A 52 -8.680 1.658 16.517 1.00 1.44 H new ATOM 0 HG21 ILE A 52 -11.269 -0.212 18.582 1.00 60.41 H new ATOM 0 HG22 ILE A 52 -11.826 -1.153 17.178 1.00 60.41 H new ATOM 0 HG23 ILE A 52 -10.195 -1.419 17.837 1.00 60.41 H new ATOM 0 HD11 ILE A 52 -8.611 2.741 18.709 1.00 33.31 H new ATOM 0 HD12 ILE A 52 -10.172 3.061 17.917 1.00 33.31 H new ATOM 0 HD13 ILE A 52 -10.067 1.854 19.220 1.00 33.31 H new ATOM 834 N LEU A 53 -12.104 -0.869 14.362 1.00 42.12 N ATOM 835 CA LEU A 53 -13.106 -1.781 13.858 1.00 73.11 C ATOM 836 C LEU A 53 -12.671 -2.563 12.639 1.00 64.34 C ATOM 837 O LEU A 53 -13.092 -3.698 12.419 1.00 51.12 O ATOM 838 CB LEU A 53 -14.449 -1.029 13.639 1.00 35.01 C ATOM 839 CG LEU A 53 -14.478 0.161 12.650 1.00 74.32 C ATOM 840 CD1 LEU A 53 -14.519 -0.212 11.163 1.00 63.43 C ATOM 841 CD2 LEU A 53 -15.678 1.072 12.958 1.00 55.11 C ATOM 0 H LEU A 53 -12.352 0.114 14.253 1.00 42.12 H new ATOM 0 HA LEU A 53 -13.255 -2.544 14.622 1.00 73.11 H new ATOM 0 HB2 LEU A 53 -15.186 -1.758 13.302 1.00 35.01 H new ATOM 0 HB3 LEU A 53 -14.785 -0.662 14.609 1.00 35.01 H new ATOM 0 HG LEU A 53 -13.526 0.668 12.807 1.00 74.32 H new ATOM 0 HD11 LEU A 53 -14.537 0.696 10.560 1.00 63.43 H new ATOM 0 HD12 LEU A 53 -13.635 -0.798 10.910 1.00 63.43 H new ATOM 0 HD13 LEU A 53 -15.414 -0.800 10.960 1.00 63.43 H new ATOM 0 HD21 LEU A 53 -15.690 1.907 12.257 1.00 55.11 H new ATOM 0 HD22 LEU A 53 -16.602 0.502 12.860 1.00 55.11 H new ATOM 0 HD23 LEU A 53 -15.593 1.454 13.975 1.00 55.11 H new ATOM 853 N CYS A 54 -11.771 -1.962 11.837 1.00 45.42 N ATOM 854 CA CYS A 54 -11.149 -2.565 10.676 1.00 22.30 C ATOM 855 C CYS A 54 -10.303 -3.770 11.043 1.00 55.35 C ATOM 856 O CYS A 54 -10.417 -4.799 10.377 1.00 15.42 O ATOM 857 CB CYS A 54 -10.336 -1.525 9.852 1.00 35.33 C ATOM 858 SG CYS A 54 -9.578 -2.204 8.342 1.00 74.21 S ATOM 0 H CYS A 54 -11.455 -1.006 11.999 1.00 45.42 H new ATOM 0 HA CYS A 54 -11.956 -2.925 10.038 1.00 22.30 H new ATOM 0 HB2 CYS A 54 -10.994 -0.701 9.577 1.00 35.33 H new ATOM 0 HB3 CYS A 54 -9.552 -1.109 10.484 1.00 35.33 H new ATOM 863 N LEU A 55 -9.471 -3.745 12.128 1.00 33.02 N ATOM 864 CA LEU A 55 -8.738 -4.917 12.521 1.00 25.22 C ATOM 865 C LEU A 55 -9.612 -6.068 12.897 1.00 1.44 C ATOM 866 O LEU A 55 -9.314 -7.197 12.553 1.00 33.21 O ATOM 867 CB LEU A 55 -7.858 -4.515 13.674 1.00 14.54 C ATOM 868 CG LEU A 55 -6.666 -3.642 13.236 1.00 62.53 C ATOM 869 CD1 LEU A 55 -5.640 -4.429 12.414 1.00 74.01 C ATOM 870 CD2 LEU A 55 -6.882 -2.255 12.641 1.00 12.43 C ATOM 0 H LEU A 55 -9.315 -2.926 12.715 1.00 33.02 H new ATOM 0 HA LEU A 55 -8.155 -5.273 11.671 1.00 25.22 H new ATOM 0 HB2 LEU A 55 -8.453 -3.970 14.407 1.00 14.54 H new ATOM 0 HB3 LEU A 55 -7.484 -5.411 14.170 1.00 14.54 H new ATOM 0 HG LEU A 55 -6.288 -3.380 14.224 1.00 62.53 H new ATOM 0 HD11 LEU A 55 -4.820 -3.770 12.129 1.00 74.01 H new ATOM 0 HD12 LEU A 55 -5.252 -5.255 13.010 1.00 74.01 H new ATOM 0 HD13 LEU A 55 -6.117 -4.823 11.517 1.00 74.01 H new ATOM 0 HD21 LEU A 55 -5.917 -1.808 12.400 1.00 12.43 H new ATOM 0 HD22 LEU A 55 -7.481 -2.337 11.734 1.00 12.43 H new ATOM 0 HD23 LEU A 55 -7.403 -1.626 13.363 1.00 12.43 H new ATOM 882 N ALA A 56 -10.731 -5.796 13.568 1.00 23.20 N ATOM 883 CA ALA A 56 -11.644 -6.766 14.119 1.00 0.25 C ATOM 884 C ALA A 56 -12.242 -7.746 13.131 1.00 4.11 C ATOM 885 O ALA A 56 -12.447 -8.929 13.419 1.00 24.13 O ATOM 886 CB ALA A 56 -12.716 -5.956 14.851 1.00 11.35 C ATOM 0 H ALA A 56 -11.030 -4.837 13.745 1.00 23.20 H new ATOM 0 HA ALA A 56 -11.092 -7.430 14.784 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -13.445 -6.634 15.295 1.00 11.35 H new ATOM 0 HB2 ALA A 56 -12.249 -5.360 15.636 1.00 11.35 H new ATOM 0 HB3 ALA A 56 -13.219 -5.295 14.145 1.00 11.35 H new ATOM 892 N LYS A 57 -12.515 -7.261 11.913 1.00 2.01 N ATOM 893 CA LYS A 57 -12.808 -8.123 10.781 1.00 11.32 C ATOM 894 C LYS A 57 -11.585 -8.897 10.292 1.00 73.42 C ATOM 895 O LYS A 57 -11.647 -10.091 9.995 1.00 32.02 O ATOM 896 CB LYS A 57 -13.382 -7.298 9.602 1.00 65.33 C ATOM 897 CG LYS A 57 -14.771 -6.701 9.885 1.00 0.14 C ATOM 898 CD LYS A 57 -15.298 -5.870 8.701 1.00 32.42 C ATOM 899 CE LYS A 57 -16.667 -5.226 8.935 1.00 52.43 C ATOM 900 NZ LYS A 57 -17.719 -6.260 8.990 1.00 22.52 N ATOM 0 H LYS A 57 -12.537 -6.265 11.694 1.00 2.01 H new ATOM 0 HA LYS A 57 -13.545 -8.845 11.133 1.00 11.32 H new ATOM 0 HB2 LYS A 57 -12.690 -6.490 9.365 1.00 65.33 H new ATOM 0 HB3 LYS A 57 -13.443 -7.935 8.720 1.00 65.33 H new ATOM 0 HG2 LYS A 57 -15.473 -7.506 10.103 1.00 0.14 H new ATOM 0 HG3 LYS A 57 -14.720 -6.072 10.774 1.00 0.14 H new ATOM 0 HD2 LYS A 57 -14.576 -5.086 8.474 1.00 32.42 H new ATOM 0 HD3 LYS A 57 -15.358 -6.512 7.822 1.00 32.42 H new ATOM 0 HE2 LYS A 57 -16.655 -4.660 9.866 1.00 52.43 H new ATOM 0 HE3 LYS A 57 -16.885 -4.519 8.135 1.00 52.43 H new ATOM 0 HZ1 LYS A 57 -18.644 -5.807 9.132 1.00 22.52 H new ATOM 0 HZ2 LYS A 57 -17.728 -6.794 8.097 1.00 22.52 H new ATOM 0 HZ3 LYS A 57 -17.527 -6.909 9.779 1.00 22.52 H new ATOM 914 N LYS A 58 -10.416 -8.230 10.211 1.00 55.15 N ATOM 915 CA LYS A 58 -9.216 -8.725 9.576 1.00 53.23 C ATOM 916 C LYS A 58 -8.292 -9.482 10.531 1.00 70.53 C ATOM 917 O LYS A 58 -7.072 -9.343 10.501 1.00 21.24 O ATOM 918 CB LYS A 58 -8.455 -7.548 8.930 1.00 54.20 C ATOM 919 CG LYS A 58 -9.175 -6.853 7.764 1.00 61.34 C ATOM 920 CD LYS A 58 -8.247 -5.817 7.105 1.00 4.44 C ATOM 921 CE LYS A 58 -8.868 -5.010 5.965 1.00 54.23 C ATOM 922 NZ LYS A 58 -9.161 -5.867 4.798 1.00 71.43 N ATOM 0 H LYS A 58 -10.296 -7.298 10.607 1.00 55.15 H new ATOM 0 HA LYS A 58 -9.530 -9.442 8.818 1.00 53.23 H new ATOM 0 HB2 LYS A 58 -8.249 -6.805 9.701 1.00 54.20 H new ATOM 0 HB3 LYS A 58 -7.492 -7.913 8.573 1.00 54.20 H new ATOM 0 HG2 LYS A 58 -9.487 -7.593 7.027 1.00 61.34 H new ATOM 0 HG3 LYS A 58 -10.079 -6.363 8.126 1.00 61.34 H new ATOM 0 HD2 LYS A 58 -7.902 -5.124 7.872 1.00 4.44 H new ATOM 0 HD3 LYS A 58 -7.367 -6.334 6.724 1.00 4.44 H new ATOM 0 HE2 LYS A 58 -9.787 -4.536 6.311 1.00 54.23 H new ATOM 0 HE3 LYS A 58 -8.188 -4.211 5.670 1.00 54.23 H new ATOM 0 HZ1 LYS A 58 -9.454 -5.273 3.996 1.00 71.43 H new ATOM 0 HZ2 LYS A 58 -8.309 -6.404 4.539 1.00 71.43 H new ATOM 0 HZ3 LYS A 58 -9.927 -6.528 5.037 1.00 71.43 H new ATOM 936 N LEU A 59 -8.858 -10.372 11.374 1.00 74.14 N ATOM 937 CA LEU A 59 -8.108 -11.181 12.339 1.00 70.22 C ATOM 938 C LEU A 59 -7.710 -12.479 11.696 1.00 35.12 C ATOM 939 O LEU A 59 -6.855 -13.225 12.149 1.00 14.44 O ATOM 940 CB LEU A 59 -8.892 -11.579 13.604 1.00 42.22 C ATOM 941 CG LEU A 59 -9.405 -10.387 14.420 1.00 34.14 C ATOM 942 CD1 LEU A 59 -10.189 -10.856 15.655 1.00 54.42 C ATOM 943 CD2 LEU A 59 -8.470 -9.206 14.666 1.00 21.25 C ATOM 0 H LEU A 59 -9.863 -10.546 11.398 1.00 74.14 H new ATOM 0 HA LEU A 59 -7.270 -10.549 12.633 1.00 70.22 H new ATOM 0 HB2 LEU A 59 -9.740 -12.199 13.313 1.00 42.22 H new ATOM 0 HB3 LEU A 59 -8.251 -12.192 14.238 1.00 42.22 H new ATOM 0 HG LEU A 59 -10.097 -9.897 13.735 1.00 34.14 H new ATOM 0 HD11 LEU A 59 -10.540 -9.989 16.214 1.00 54.42 H new ATOM 0 HD12 LEU A 59 -11.044 -11.454 15.338 1.00 54.42 H new ATOM 0 HD13 LEU A 59 -9.540 -11.459 16.290 1.00 54.42 H new ATOM 0 HD21 LEU A 59 -8.986 -8.450 15.258 1.00 21.25 H new ATOM 0 HD22 LEU A 59 -7.586 -9.548 15.205 1.00 21.25 H new ATOM 0 HD23 LEU A 59 -8.169 -8.775 13.711 1.00 21.25 H new ATOM 955 N GLU A 60 -8.353 -12.728 10.557 1.00 64.20 N ATOM 956 CA GLU A 60 -8.175 -13.857 9.654 1.00 45.24 C ATOM 957 C GLU A 60 -6.769 -13.852 9.096 1.00 35.35 C ATOM 958 O GLU A 60 -6.160 -14.876 8.806 1.00 70.00 O ATOM 959 CB GLU A 60 -9.169 -13.784 8.470 1.00 14.31 C ATOM 960 CG GLU A 60 -10.630 -13.856 8.955 1.00 5.13 C ATOM 961 CD GLU A 60 -11.631 -14.030 7.815 1.00 33.03 C ATOM 962 OE1 GLU A 60 -12.350 -15.063 7.824 1.00 51.41 O ATOM 963 OE2 GLU A 60 -11.688 -13.132 6.936 1.00 33.11 O ATOM 0 H GLU A 60 -9.072 -12.090 10.216 1.00 64.20 H new ATOM 0 HA GLU A 60 -8.357 -14.769 10.222 1.00 45.24 H new ATOM 0 HB2 GLU A 60 -9.013 -12.857 7.919 1.00 14.31 H new ATOM 0 HB3 GLU A 60 -8.973 -14.603 7.778 1.00 14.31 H new ATOM 0 HG2 GLU A 60 -10.735 -14.687 9.653 1.00 5.13 H new ATOM 0 HG3 GLU A 60 -10.869 -12.946 9.505 1.00 5.13 H new ATOM 970 N LEU A 61 -6.286 -12.614 8.920 1.00 60.51 N ATOM 971 CA LEU A 61 -5.005 -12.201 8.391 1.00 74.10 C ATOM 972 C LEU A 61 -3.860 -12.561 9.333 1.00 54.12 C ATOM 973 O LEU A 61 -2.713 -12.717 8.919 1.00 62.13 O ATOM 974 CB LEU A 61 -4.934 -10.682 8.132 1.00 34.31 C ATOM 975 CG LEU A 61 -5.956 -10.051 7.157 1.00 51.50 C ATOM 976 CD1 LEU A 61 -5.288 -9.043 6.217 1.00 3.35 C ATOM 977 CD2 LEU A 61 -7.088 -10.897 6.539 1.00 33.42 C ATOM 0 H LEU A 61 -6.851 -11.804 9.175 1.00 60.51 H new ATOM 0 HA LEU A 61 -4.902 -12.737 7.448 1.00 74.10 H new ATOM 0 HB2 LEU A 61 -5.037 -10.177 9.092 1.00 34.31 H new ATOM 0 HB3 LEU A 61 -3.936 -10.456 7.758 1.00 34.31 H new ATOM 0 HG LEU A 61 -6.608 -9.515 7.847 1.00 51.50 H new ATOM 0 HD11 LEU A 61 -6.036 -8.620 5.546 1.00 3.35 H new ATOM 0 HD12 LEU A 61 -4.833 -8.245 6.803 1.00 3.35 H new ATOM 0 HD13 LEU A 61 -4.519 -9.546 5.631 1.00 3.35 H new ATOM 0 HD21 LEU A 61 -7.695 -10.271 5.885 1.00 33.42 H new ATOM 0 HD22 LEU A 61 -6.657 -11.715 5.961 1.00 33.42 H new ATOM 0 HD23 LEU A 61 -7.713 -11.304 7.334 1.00 33.42 H new ATOM 989 N LEU A 62 -4.169 -12.636 10.646 1.00 74.01 N ATOM 990 CA LEU A 62 -3.257 -12.865 11.749 1.00 2.31 C ATOM 991 C LEU A 62 -2.733 -14.288 11.749 1.00 51.35 C ATOM 992 O LEU A 62 -3.274 -15.200 11.128 1.00 54.14 O ATOM 993 CB LEU A 62 -3.930 -12.586 13.122 1.00 52.13 C ATOM 994 CG LEU A 62 -4.445 -11.137 13.249 1.00 72.35 C ATOM 995 CD1 LEU A 62 -5.299 -10.893 14.505 1.00 23.22 C ATOM 996 CD2 LEU A 62 -3.318 -10.092 13.181 1.00 50.42 C ATOM 0 H LEU A 62 -5.131 -12.529 10.967 1.00 74.01 H new ATOM 0 HA LEU A 62 -2.429 -12.171 11.608 1.00 2.31 H new ATOM 0 HB2 LEU A 62 -4.762 -13.276 13.261 1.00 52.13 H new ATOM 0 HB3 LEU A 62 -3.214 -12.784 13.920 1.00 52.13 H new ATOM 0 HG LEU A 62 -5.089 -11.009 12.379 1.00 72.35 H new ATOM 0 HD11 LEU A 62 -5.625 -9.853 14.527 1.00 23.22 H new ATOM 0 HD12 LEU A 62 -6.171 -11.547 14.485 1.00 23.22 H new ATOM 0 HD13 LEU A 62 -4.707 -11.106 15.395 1.00 23.22 H new ATOM 0 HD21 LEU A 62 -3.742 -9.093 13.276 1.00 50.42 H new ATOM 0 HD22 LEU A 62 -2.612 -10.265 13.993 1.00 50.42 H new ATOM 0 HD23 LEU A 62 -2.800 -10.177 12.226 1.00 50.42 H new ATOM 1008 N ASP A 63 -1.596 -14.504 12.437 1.00 42.31 N ATOM 1009 CA ASP A 63 -0.916 -15.782 12.409 1.00 10.32 C ATOM 1010 C ASP A 63 -1.661 -16.775 13.297 1.00 34.22 C ATOM 1011 O ASP A 63 -2.102 -16.443 14.393 1.00 32.43 O ATOM 1012 CB ASP A 63 0.558 -15.623 12.886 1.00 31.54 C ATOM 1013 CG ASP A 63 1.458 -16.811 12.550 1.00 61.32 C ATOM 1014 OD1 ASP A 63 1.245 -17.895 13.156 1.00 74.34 O ATOM 1015 OD2 ASP A 63 2.366 -16.639 11.700 1.00 64.32 O ATOM 0 H ASP A 63 -1.140 -13.799 13.016 1.00 42.31 H new ATOM 0 HA ASP A 63 -0.903 -16.159 11.386 1.00 10.32 H new ATOM 0 HB2 ASP A 63 0.979 -14.724 12.435 1.00 31.54 H new ATOM 0 HB3 ASP A 63 0.564 -15.471 13.965 1.00 31.54 H new ATOM 1020 N GLN A 64 -1.755 -18.049 12.867 1.00 21.50 N ATOM 1021 CA GLN A 64 -2.388 -19.108 13.625 1.00 22.02 C ATOM 1022 C GLN A 64 -1.742 -19.382 14.978 1.00 13.21 C ATOM 1023 O GLN A 64 -2.414 -19.784 15.924 1.00 75.02 O ATOM 1024 CB GLN A 64 -2.476 -20.397 12.769 1.00 50.41 C ATOM 1025 CG GLN A 64 -3.162 -21.593 13.471 1.00 3.44 C ATOM 1026 CD GLN A 64 -4.591 -21.274 13.938 1.00 31.42 C ATOM 1027 OE1 GLN A 64 -5.492 -20.949 13.159 1.00 51.15 O ATOM 1028 NE2 GLN A 64 -4.801 -21.352 15.278 1.00 60.22 N ATOM 0 H GLN A 64 -1.383 -18.359 11.969 1.00 21.50 H new ATOM 0 HA GLN A 64 -3.393 -18.758 13.860 1.00 22.02 H new ATOM 0 HB2 GLN A 64 -3.019 -20.171 11.851 1.00 50.41 H new ATOM 0 HB3 GLN A 64 -1.468 -20.693 12.478 1.00 50.41 H new ATOM 0 HG2 GLN A 64 -3.190 -22.442 12.787 1.00 3.44 H new ATOM 0 HG3 GLN A 64 -2.563 -21.895 14.330 1.00 3.44 H new ATOM 0 HE21 GLN A 64 -4.038 -21.623 15.899 1.00 60.22 H new ATOM 0 HE22 GLN A 64 -5.721 -21.139 15.663 1.00 60.22 H new ATOM 1037 N ASP A 65 -0.429 -19.116 15.139 1.00 75.52 N ATOM 1038 CA ASP A 65 0.302 -19.348 16.378 1.00 33.13 C ATOM 1039 C ASP A 65 -0.272 -18.592 17.580 1.00 33.50 C ATOM 1040 O ASP A 65 -0.212 -19.091 18.701 1.00 20.02 O ATOM 1041 CB ASP A 65 1.802 -18.962 16.235 1.00 1.24 C ATOM 1042 CG ASP A 65 2.589 -19.936 15.359 1.00 24.34 C ATOM 1043 OD1 ASP A 65 2.077 -21.045 15.058 1.00 44.13 O ATOM 1044 OD2 ASP A 65 3.742 -19.572 15.010 1.00 72.24 O ATOM 0 H ASP A 65 0.151 -18.729 14.395 1.00 75.52 H new ATOM 0 HA ASP A 65 0.198 -20.417 16.565 1.00 33.13 H new ATOM 0 HB2 ASP A 65 1.875 -17.961 15.811 1.00 1.24 H new ATOM 0 HB3 ASP A 65 2.257 -18.923 17.225 1.00 1.24 H new ATOM 1049 N MET A 66 -0.844 -17.376 17.390 1.00 53.32 N ATOM 1050 CA MET A 66 -1.479 -16.655 18.486 1.00 71.42 C ATOM 1051 C MET A 66 -2.900 -17.128 18.759 1.00 30.14 C ATOM 1052 O MET A 66 -3.467 -16.791 19.798 1.00 45.31 O ATOM 1053 CB MET A 66 -1.474 -15.114 18.274 1.00 74.23 C ATOM 1054 CG MET A 66 -2.374 -14.544 17.160 1.00 41.52 C ATOM 1055 SD MET A 66 -2.320 -12.731 16.987 1.00 24.51 S ATOM 1056 CE MET A 66 -0.646 -12.599 16.293 1.00 2.44 C ATOM 0 H MET A 66 -0.871 -16.891 16.493 1.00 53.32 H new ATOM 0 HA MET A 66 -0.869 -16.883 19.360 1.00 71.42 H new ATOM 0 HB2 MET A 66 -1.765 -14.645 19.214 1.00 74.23 H new ATOM 0 HB3 MET A 66 -0.449 -14.807 18.068 1.00 74.23 H new ATOM 0 HG2 MET A 66 -2.083 -14.994 16.211 1.00 41.52 H new ATOM 0 HG3 MET A 66 -3.403 -14.846 17.354 1.00 41.52 H new ATOM 0 HE1 MET A 66 -0.507 -11.606 15.865 1.00 2.44 H new ATOM 0 HE2 MET A 66 0.089 -12.761 17.082 1.00 2.44 H new ATOM 0 HE3 MET A 66 -0.514 -13.351 15.515 1.00 2.44 H new ATOM 1066 N ASN A 67 -3.484 -17.936 17.836 1.00 43.24 N ATOM 1067 CA ASN A 67 -4.832 -18.489 17.850 1.00 22.52 C ATOM 1068 C ASN A 67 -5.978 -17.487 17.815 1.00 43.33 C ATOM 1069 O ASN A 67 -7.081 -17.802 18.260 1.00 74.45 O ATOM 1070 CB ASN A 67 -5.030 -19.476 19.048 1.00 23.10 C ATOM 1071 CG ASN A 67 -4.156 -20.717 18.869 1.00 13.41 C ATOM 1072 OD1 ASN A 67 -4.537 -21.648 18.154 1.00 60.44 O ATOM 1073 ND2 ASN A 67 -2.955 -20.739 19.494 1.00 1.42 N ATOM 0 H ASN A 67 -2.971 -18.231 17.005 1.00 43.24 H new ATOM 0 HA ASN A 67 -4.892 -19.017 16.898 1.00 22.52 H new ATOM 0 HB2 ASN A 67 -4.777 -18.977 19.983 1.00 23.10 H new ATOM 0 HB3 ASN A 67 -6.078 -19.769 19.116 1.00 23.10 H new ATOM 0 HD21 ASN A 67 -2.336 -21.541 19.380 1.00 1.42 H new ATOM 0 HD22 ASN A 67 -2.670 -19.953 20.078 1.00 1.42 H new ATOM 1080 N LEU A 68 -5.797 -16.262 17.253 1.00 63.12 N ATOM 1081 CA LEU A 68 -6.897 -15.313 17.187 1.00 30.13 C ATOM 1082 C LEU A 68 -7.787 -15.610 16.002 1.00 20.05 C ATOM 1083 O LEU A 68 -7.350 -15.575 14.854 1.00 41.30 O ATOM 1084 CB LEU A 68 -6.422 -13.842 17.062 1.00 55.20 C ATOM 1085 CG LEU A 68 -7.385 -12.767 17.636 1.00 34.43 C ATOM 1086 CD1 LEU A 68 -7.095 -11.342 17.182 1.00 12.32 C ATOM 1087 CD2 LEU A 68 -8.849 -13.134 17.938 1.00 63.31 C ATOM 0 H LEU A 68 -4.918 -15.932 16.854 1.00 63.12 H new ATOM 0 HA LEU A 68 -7.440 -15.427 18.125 1.00 30.13 H new ATOM 0 HB2 LEU A 68 -5.460 -13.747 17.566 1.00 55.20 H new ATOM 0 HB3 LEU A 68 -6.252 -13.624 16.008 1.00 55.20 H new ATOM 0 HG LEU A 68 -7.073 -12.778 18.680 1.00 34.43 H new ATOM 0 HD11 LEU A 68 -7.818 -10.662 17.633 1.00 12.32 H new ATOM 0 HD12 LEU A 68 -6.089 -11.059 17.491 1.00 12.32 H new ATOM 0 HD13 LEU A 68 -7.171 -11.284 16.096 1.00 12.32 H new ATOM 0 HD21 LEU A 68 -9.369 -12.261 18.332 1.00 63.31 H new ATOM 0 HD22 LEU A 68 -9.338 -13.465 17.022 1.00 63.31 H new ATOM 0 HD23 LEU A 68 -8.878 -13.936 18.675 1.00 63.31 H new ATOM 1099 N HIS A 69 -9.083 -15.864 16.261 1.00 33.40 N ATOM 1100 CA HIS A 69 -10.070 -15.888 15.218 1.00 12.11 C ATOM 1101 C HIS A 69 -11.301 -15.232 15.771 1.00 53.34 C ATOM 1102 O HIS A 69 -11.562 -15.254 16.975 1.00 23.22 O ATOM 1103 CB HIS A 69 -10.389 -17.325 14.722 1.00 21.10 C ATOM 1104 CG HIS A 69 -9.240 -18.011 14.022 1.00 71.30 C ATOM 1105 ND1 HIS A 69 -8.984 -17.794 12.697 1.00 21.32 N ATOM 1106 CD2 HIS A 69 -8.310 -18.897 14.459 1.00 70.35 C ATOM 1107 CE1 HIS A 69 -7.951 -18.532 12.333 1.00 4.12 C ATOM 1108 NE2 HIS A 69 -7.526 -19.215 13.379 1.00 21.24 N ATOM 0 H HIS A 69 -9.451 -16.053 17.193 1.00 33.40 H new ATOM 0 HA HIS A 69 -9.689 -15.358 14.345 1.00 12.11 H new ATOM 0 HB2 HIS A 69 -10.694 -17.932 15.575 1.00 21.10 H new ATOM 0 HB3 HIS A 69 -11.240 -17.281 14.042 1.00 21.10 H new ATOM 0 HD2 HIS A 69 -8.207 -19.279 15.464 1.00 70.35 H new ATOM 0 HE1 HIS A 69 -7.524 -18.570 11.342 1.00 4.12 H new ATOM 0 HE2 HIS A 69 -6.744 -19.870 13.384 1.00 21.24 H new ATOM 1117 N HIS A 70 -12.065 -14.567 14.884 1.00 4.44 N ATOM 1118 CA HIS A 70 -13.222 -13.780 15.241 1.00 70.20 C ATOM 1119 C HIS A 70 -14.334 -14.666 15.782 1.00 70.40 C ATOM 1120 O HIS A 70 -14.679 -15.692 15.201 1.00 64.42 O ATOM 1121 CB HIS A 70 -13.686 -12.989 14.002 1.00 34.23 C ATOM 1122 CG HIS A 70 -14.766 -11.963 14.185 1.00 64.15 C ATOM 1123 ND1 HIS A 70 -14.556 -10.634 13.931 1.00 12.45 N ATOM 1124 CD2 HIS A 70 -16.080 -12.105 14.478 1.00 51.43 C ATOM 1125 CE1 HIS A 70 -15.706 -10.001 14.047 1.00 2.33 C ATOM 1126 NE2 HIS A 70 -16.642 -10.860 14.394 1.00 13.32 N ATOM 0 H HIS A 70 -11.876 -14.573 13.882 1.00 4.44 H new ATOM 0 HA HIS A 70 -12.959 -13.080 16.034 1.00 70.20 H new ATOM 0 HB2 HIS A 70 -12.815 -12.486 13.582 1.00 34.23 H new ATOM 0 HB3 HIS A 70 -14.030 -13.707 13.257 1.00 34.23 H new ATOM 0 HD1 HIS A 70 -13.661 -10.206 13.692 1.00 12.45 H new ATOM 0 HD2 HIS A 70 -16.587 -13.024 14.730 1.00 51.43 H new ATOM 0 HE1 HIS A 70 -15.857 -8.944 13.883 1.00 2.33 H new ATOM 1135 N GLY A 71 -14.891 -14.289 16.947 1.00 32.31 N ATOM 1136 CA GLY A 71 -15.921 -15.050 17.646 1.00 33.33 C ATOM 1137 C GLY A 71 -15.400 -16.060 18.642 1.00 23.43 C ATOM 1138 O GLY A 71 -16.165 -16.591 19.440 1.00 60.13 O ATOM 0 H GLY A 71 -14.627 -13.431 17.431 1.00 32.31 H new ATOM 0 HA2 GLY A 71 -16.577 -14.353 18.167 1.00 33.33 H new ATOM 0 HA3 GLY A 71 -16.531 -15.571 16.908 1.00 33.33 H new ATOM 1142 N LYS A 72 -14.079 -16.346 18.646 1.00 3.31 N ATOM 1143 CA LYS A 72 -13.468 -17.411 19.428 1.00 51.32 C ATOM 1144 C LYS A 72 -12.766 -16.854 20.654 1.00 32.42 C ATOM 1145 O LYS A 72 -11.862 -17.479 21.212 1.00 70.54 O ATOM 1146 CB LYS A 72 -12.459 -18.269 18.601 1.00 15.02 C ATOM 1147 CG LYS A 72 -13.074 -19.263 17.588 1.00 63.02 C ATOM 1148 CD LYS A 72 -13.785 -18.653 16.368 1.00 22.30 C ATOM 1149 CE LYS A 72 -14.151 -19.673 15.285 1.00 52.34 C ATOM 1150 NZ LYS A 72 -15.141 -20.640 15.800 1.00 33.51 N ATOM 0 H LYS A 72 -13.404 -15.823 18.088 1.00 3.31 H new ATOM 0 HA LYS A 72 -14.286 -18.063 19.736 1.00 51.32 H new ATOM 0 HB2 LYS A 72 -11.799 -17.592 18.059 1.00 15.02 H new ATOM 0 HB3 LYS A 72 -11.837 -18.831 19.297 1.00 15.02 H new ATOM 0 HG2 LYS A 72 -12.280 -19.917 17.228 1.00 63.02 H new ATOM 0 HG3 LYS A 72 -13.788 -19.892 18.119 1.00 63.02 H new ATOM 0 HD2 LYS A 72 -14.693 -18.152 16.703 1.00 22.30 H new ATOM 0 HD3 LYS A 72 -13.143 -17.889 15.931 1.00 22.30 H new ATOM 0 HE2 LYS A 72 -14.556 -19.158 14.414 1.00 52.34 H new ATOM 0 HE3 LYS A 72 -13.256 -20.200 14.956 1.00 52.34 H new ATOM 0 HZ1 LYS A 72 -15.378 -21.324 15.054 1.00 33.51 H new ATOM 0 HZ2 LYS A 72 -14.742 -21.144 16.617 1.00 33.51 H new ATOM 0 HZ3 LYS A 72 -16.001 -20.134 16.092 1.00 33.51 H new ATOM 1164 N ALA A 73 -13.190 -15.661 21.138 1.00 33.12 N ATOM 1165 CA ALA A 73 -12.542 -14.929 22.207 1.00 11.32 C ATOM 1166 C ALA A 73 -12.406 -15.688 23.491 1.00 54.24 C ATOM 1167 O ALA A 73 -11.340 -15.652 24.088 1.00 3.24 O ATOM 1168 CB ALA A 73 -13.305 -13.654 22.563 1.00 51.11 C ATOM 0 H ALA A 73 -14.015 -15.185 20.773 1.00 33.12 H new ATOM 0 HA ALA A 73 -11.552 -14.724 21.800 1.00 11.32 H new ATOM 0 HB1 ALA A 73 -12.787 -13.133 23.369 1.00 51.11 H new ATOM 0 HB2 ALA A 73 -13.359 -13.006 21.688 1.00 51.11 H new ATOM 0 HB3 ALA A 73 -14.313 -13.912 22.887 1.00 51.11 H new ATOM 1174 N MET A 74 -13.443 -16.423 23.932 1.00 33.20 N ATOM 1175 CA MET A 74 -13.378 -17.150 25.189 1.00 32.24 C ATOM 1176 C MET A 74 -12.264 -18.197 25.202 1.00 32.43 C ATOM 1177 O MET A 74 -11.566 -18.364 26.199 1.00 61.55 O ATOM 1178 CB MET A 74 -14.723 -17.843 25.527 1.00 53.04 C ATOM 1179 CG MET A 74 -15.855 -16.851 25.858 1.00 4.43 C ATOM 1180 SD MET A 74 -17.418 -17.667 26.302 1.00 22.22 S ATOM 1181 CE MET A 74 -18.297 -16.134 26.718 1.00 63.31 C ATOM 0 H MET A 74 -14.326 -16.522 23.432 1.00 33.20 H new ATOM 0 HA MET A 74 -13.160 -16.399 25.948 1.00 32.24 H new ATOM 0 HB2 MET A 74 -15.027 -18.462 24.683 1.00 53.04 H new ATOM 0 HB3 MET A 74 -14.576 -18.512 26.375 1.00 53.04 H new ATOM 0 HG2 MET A 74 -15.539 -16.212 26.683 1.00 4.43 H new ATOM 0 HG3 MET A 74 -16.023 -16.202 24.999 1.00 4.43 H new ATOM 0 HE1 MET A 74 -19.314 -16.371 27.031 1.00 63.31 H new ATOM 0 HE2 MET A 74 -17.777 -15.625 27.529 1.00 63.31 H new ATOM 0 HE3 MET A 74 -18.329 -15.484 25.843 1.00 63.31 H new ATOM 1191 N GLU A 75 -12.062 -18.907 24.068 1.00 23.30 N ATOM 1192 CA GLU A 75 -10.977 -19.865 23.906 1.00 71.11 C ATOM 1193 C GLU A 75 -9.615 -19.207 23.714 1.00 61.44 C ATOM 1194 O GLU A 75 -8.629 -19.589 24.342 1.00 65.40 O ATOM 1195 CB GLU A 75 -11.251 -20.804 22.703 1.00 2.44 C ATOM 1196 CG GLU A 75 -12.456 -21.751 22.934 1.00 24.24 C ATOM 1197 CD GLU A 75 -12.733 -22.643 21.723 1.00 62.01 C ATOM 1198 OE1 GLU A 75 -13.074 -22.084 20.649 1.00 13.15 O ATOM 1199 OE2 GLU A 75 -12.619 -23.887 21.873 1.00 70.32 O ATOM 0 H GLU A 75 -12.657 -18.821 23.244 1.00 23.30 H new ATOM 0 HA GLU A 75 -10.944 -20.434 24.835 1.00 71.11 H new ATOM 0 HB2 GLU A 75 -11.435 -20.201 21.814 1.00 2.44 H new ATOM 0 HB3 GLU A 75 -10.360 -21.400 22.505 1.00 2.44 H new ATOM 0 HG2 GLU A 75 -12.262 -22.376 23.806 1.00 24.24 H new ATOM 0 HG3 GLU A 75 -13.343 -21.159 23.157 1.00 24.24 H new ATOM 1206 N PHE A 76 -9.556 -18.164 22.859 1.00 43.51 N ATOM 1207 CA PHE A 76 -8.393 -17.344 22.565 1.00 44.24 C ATOM 1208 C PHE A 76 -7.840 -16.634 23.782 1.00 43.03 C ATOM 1209 O PHE A 76 -6.642 -16.668 24.045 1.00 15.41 O ATOM 1210 CB PHE A 76 -8.784 -16.323 21.455 1.00 32.34 C ATOM 1211 CG PHE A 76 -7.758 -15.246 21.218 1.00 51.21 C ATOM 1212 CD1 PHE A 76 -6.528 -15.503 20.602 1.00 34.40 C ATOM 1213 CD2 PHE A 76 -8.014 -13.956 21.711 1.00 34.23 C ATOM 1214 CE1 PHE A 76 -5.601 -14.470 20.409 1.00 71.11 C ATOM 1215 CE2 PHE A 76 -7.054 -12.953 21.598 1.00 73.20 C ATOM 1216 CZ PHE A 76 -5.858 -13.196 20.919 1.00 63.33 C ATOM 0 H PHE A 76 -10.376 -17.865 22.331 1.00 43.51 H new ATOM 0 HA PHE A 76 -7.592 -17.998 22.222 1.00 44.24 H new ATOM 0 HB2 PHE A 76 -8.950 -16.863 20.523 1.00 32.34 H new ATOM 0 HB3 PHE A 76 -9.730 -15.855 21.725 1.00 32.34 H new ATOM 0 HD1 PHE A 76 -6.292 -16.504 20.273 1.00 34.40 H new ATOM 0 HD2 PHE A 76 -8.962 -13.740 22.181 1.00 34.23 H new ATOM 0 HE1 PHE A 76 -4.687 -14.659 19.865 1.00 71.11 H new ATOM 0 HE2 PHE A 76 -7.235 -11.983 22.037 1.00 73.20 H new ATOM 0 HZ PHE A 76 -5.136 -12.403 20.789 1.00 63.33 H new ATOM 1226 N ALA A 77 -8.708 -15.992 24.579 1.00 63.34 N ATOM 1227 CA ALA A 77 -8.319 -15.225 25.732 1.00 25.11 C ATOM 1228 C ALA A 77 -7.596 -16.059 26.777 1.00 22.44 C ATOM 1229 O ALA A 77 -6.586 -15.639 27.341 1.00 4.32 O ATOM 1230 CB ALA A 77 -9.594 -14.604 26.293 1.00 20.04 C ATOM 0 H ALA A 77 -9.716 -16.003 24.421 1.00 63.34 H new ATOM 0 HA ALA A 77 -7.601 -14.457 25.443 1.00 25.11 H new ATOM 0 HB1 ALA A 77 -9.352 -14.009 27.174 1.00 20.04 H new ATOM 0 HB2 ALA A 77 -10.050 -13.965 25.537 1.00 20.04 H new ATOM 0 HB3 ALA A 77 -10.292 -15.394 26.570 1.00 20.04 H new ATOM 1236 N MET A 78 -8.086 -17.299 27.004 1.00 20.13 N ATOM 1237 CA MET A 78 -7.473 -18.284 27.870 1.00 41.42 C ATOM 1238 C MET A 78 -6.098 -18.749 27.411 1.00 32.33 C ATOM 1239 O MET A 78 -5.217 -18.976 28.239 1.00 60.22 O ATOM 1240 CB MET A 78 -8.431 -19.474 28.102 1.00 35.44 C ATOM 1241 CG MET A 78 -9.645 -19.064 28.969 1.00 55.31 C ATOM 1242 SD MET A 78 -10.828 -20.408 29.305 1.00 24.42 S ATOM 1243 CE MET A 78 -9.761 -21.387 30.403 1.00 13.21 C ATOM 0 H MET A 78 -8.945 -17.634 26.568 1.00 20.13 H new ATOM 0 HA MET A 78 -7.295 -17.782 28.821 1.00 41.42 H new ATOM 0 HB2 MET A 78 -8.780 -19.854 27.142 1.00 35.44 H new ATOM 0 HB3 MET A 78 -7.892 -20.286 28.590 1.00 35.44 H new ATOM 0 HG2 MET A 78 -9.280 -18.673 29.919 1.00 55.31 H new ATOM 0 HG3 MET A 78 -10.172 -18.250 28.471 1.00 55.31 H new ATOM 0 HE1 MET A 78 -10.368 -22.106 30.953 1.00 13.21 H new ATOM 0 HE2 MET A 78 -9.018 -21.919 29.809 1.00 13.21 H new ATOM 0 HE3 MET A 78 -9.257 -20.724 31.106 1.00 13.21 H new ATOM 1253 N LYS A 79 -5.846 -18.843 26.081 1.00 3.32 N ATOM 1254 CA LYS A 79 -4.510 -19.108 25.537 1.00 10.22 C ATOM 1255 C LYS A 79 -3.505 -18.020 25.927 1.00 53.23 C ATOM 1256 O LYS A 79 -2.320 -18.285 26.121 1.00 63.12 O ATOM 1257 CB LYS A 79 -4.493 -19.199 23.984 1.00 60.23 C ATOM 1258 CG LYS A 79 -5.268 -20.383 23.374 1.00 72.41 C ATOM 1259 CD LYS A 79 -4.704 -21.782 23.692 1.00 62.14 C ATOM 1260 CE LYS A 79 -3.275 -22.024 23.201 1.00 14.34 C ATOM 1261 NZ LYS A 79 -2.865 -23.403 23.532 1.00 51.41 N ATOM 0 H LYS A 79 -6.566 -18.736 25.367 1.00 3.32 H new ATOM 0 HA LYS A 79 -4.229 -20.069 25.967 1.00 10.22 H new ATOM 0 HB2 LYS A 79 -4.903 -18.274 23.580 1.00 60.23 H new ATOM 0 HB3 LYS A 79 -3.456 -19.259 23.654 1.00 60.23 H new ATOM 0 HG2 LYS A 79 -6.299 -20.338 23.724 1.00 72.41 H new ATOM 0 HG3 LYS A 79 -5.293 -20.258 22.291 1.00 72.41 H new ATOM 0 HD2 LYS A 79 -4.733 -21.933 24.771 1.00 62.14 H new ATOM 0 HD3 LYS A 79 -5.358 -22.532 23.247 1.00 62.14 H new ATOM 0 HE2 LYS A 79 -3.218 -21.865 22.124 1.00 14.34 H new ATOM 0 HE3 LYS A 79 -2.594 -21.310 23.665 1.00 14.34 H new ATOM 0 HZ1 LYS A 79 -1.894 -23.566 23.198 1.00 51.41 H new ATOM 0 HZ2 LYS A 79 -2.904 -23.539 24.562 1.00 51.41 H new ATOM 0 HZ3 LYS A 79 -3.508 -24.077 23.069 1.00 51.41 H new ATOM 1275 N HIS A 80 -3.978 -16.763 26.058 1.00 63.54 N ATOM 1276 CA HIS A 80 -3.189 -15.585 26.361 1.00 0.52 C ATOM 1277 C HIS A 80 -3.119 -15.230 27.829 1.00 0.23 C ATOM 1278 O HIS A 80 -2.660 -14.148 28.191 1.00 54.11 O ATOM 1279 CB HIS A 80 -3.707 -14.400 25.532 1.00 43.11 C ATOM 1280 CG HIS A 80 -3.331 -14.588 24.085 1.00 74.35 C ATOM 1281 ND1 HIS A 80 -2.052 -14.358 23.652 1.00 31.34 N ATOM 1282 CD2 HIS A 80 -3.968 -15.238 23.087 1.00 34.34 C ATOM 1283 CE1 HIS A 80 -1.919 -14.852 22.434 1.00 15.32 C ATOM 1284 NE2 HIS A 80 -3.063 -15.398 22.072 1.00 33.34 N ATOM 0 H HIS A 80 -4.969 -16.548 25.947 1.00 63.54 H new ATOM 0 HA HIS A 80 -2.161 -15.823 26.087 1.00 0.52 H new ATOM 0 HB2 HIS A 80 -4.790 -14.322 25.629 1.00 43.11 H new ATOM 0 HB3 HIS A 80 -3.285 -13.468 25.909 1.00 43.11 H new ATOM 0 HD2 HIS A 80 -4.996 -15.569 23.089 1.00 34.34 H new ATOM 0 HE1 HIS A 80 -1.022 -14.815 21.834 1.00 15.32 H new ATOM 0 HE2 HIS A 80 -3.244 -15.863 21.182 1.00 33.34 H new ATOM 1293 N GLY A 81 -3.519 -16.153 28.728 1.00 51.23 N ATOM 1294 CA GLY A 81 -3.246 -16.011 30.151 1.00 63.01 C ATOM 1295 C GLY A 81 -4.361 -15.389 30.931 1.00 0.01 C ATOM 1296 O GLY A 81 -4.257 -15.244 32.146 1.00 11.55 O ATOM 0 H GLY A 81 -4.031 -17.000 28.482 1.00 51.23 H new ATOM 0 HA2 GLY A 81 -3.031 -16.995 30.568 1.00 63.01 H new ATOM 0 HA3 GLY A 81 -2.348 -15.407 30.279 1.00 63.01 H new ATOM 1300 N ALA A 82 -5.489 -15.041 30.276 1.00 52.44 N ATOM 1301 CA ALA A 82 -6.721 -14.791 31.007 1.00 53.22 C ATOM 1302 C ALA A 82 -7.254 -16.083 31.635 1.00 12.51 C ATOM 1303 O ALA A 82 -7.214 -17.150 31.030 1.00 42.13 O ATOM 1304 CB ALA A 82 -7.807 -14.200 30.083 1.00 44.40 C ATOM 0 H ALA A 82 -5.560 -14.932 29.264 1.00 52.44 H new ATOM 0 HA ALA A 82 -6.489 -14.072 31.793 1.00 53.22 H new ATOM 0 HB1 ALA A 82 -8.717 -14.024 30.657 1.00 44.40 H new ATOM 0 HB2 ALA A 82 -7.454 -13.258 29.663 1.00 44.40 H new ATOM 0 HB3 ALA A 82 -8.018 -14.901 29.275 1.00 44.40 H new ATOM 1310 N ASP A 83 -7.790 -16.040 32.879 1.00 65.20 N ATOM 1311 CA ASP A 83 -8.511 -17.183 33.413 1.00 73.30 C ATOM 1312 C ASP A 83 -9.940 -17.133 32.890 1.00 51.24 C ATOM 1313 O ASP A 83 -10.345 -16.161 32.258 1.00 1.20 O ATOM 1314 CB ASP A 83 -8.501 -17.238 34.960 1.00 61.33 C ATOM 1315 CG ASP A 83 -7.075 -17.390 35.478 1.00 34.52 C ATOM 1316 OD1 ASP A 83 -6.614 -16.467 36.198 1.00 31.12 O ATOM 1317 OD2 ASP A 83 -6.458 -18.446 35.187 1.00 34.52 O ATOM 0 H ASP A 83 -7.730 -15.238 33.506 1.00 65.20 H new ATOM 0 HA ASP A 83 -8.007 -18.090 33.079 1.00 73.30 H new ATOM 0 HB2 ASP A 83 -8.947 -16.330 35.365 1.00 61.33 H new ATOM 0 HB3 ASP A 83 -9.111 -18.073 35.304 1.00 61.33 H new ATOM 1322 N GLU A 84 -10.759 -18.183 33.125 1.00 73.24 N ATOM 1323 CA GLU A 84 -12.085 -18.279 32.523 1.00 5.35 C ATOM 1324 C GLU A 84 -13.033 -17.190 33.001 1.00 35.13 C ATOM 1325 O GLU A 84 -13.870 -16.693 32.251 1.00 74.22 O ATOM 1326 CB GLU A 84 -12.713 -19.688 32.732 1.00 72.32 C ATOM 1327 CG GLU A 84 -13.016 -20.082 34.197 1.00 74.11 C ATOM 1328 CD GLU A 84 -13.583 -21.501 34.312 1.00 0.22 C ATOM 1329 OE1 GLU A 84 -14.693 -21.739 33.772 1.00 64.55 O ATOM 1330 OE2 GLU A 84 -12.904 -22.344 34.953 1.00 41.24 O ATOM 0 H GLU A 84 -10.515 -18.969 33.728 1.00 73.24 H new ATOM 0 HA GLU A 84 -11.938 -18.126 31.454 1.00 5.35 H new ATOM 0 HB2 GLU A 84 -13.641 -19.739 32.163 1.00 72.32 H new ATOM 0 HB3 GLU A 84 -12.038 -20.432 32.308 1.00 72.32 H new ATOM 0 HG2 GLU A 84 -12.102 -20.009 34.787 1.00 74.11 H new ATOM 0 HG3 GLU A 84 -13.727 -19.373 34.622 1.00 74.11 H new ATOM 1337 N ALA A 85 -12.860 -16.767 34.272 1.00 63.45 N ATOM 1338 CA ALA A 85 -13.562 -15.674 34.904 1.00 13.30 C ATOM 1339 C ALA A 85 -13.198 -14.329 34.292 1.00 41.31 C ATOM 1340 O ALA A 85 -14.050 -13.507 33.968 1.00 2.32 O ATOM 1341 CB ALA A 85 -13.236 -15.692 36.409 1.00 24.42 C ATOM 0 H ALA A 85 -12.190 -17.213 34.899 1.00 63.45 H new ATOM 0 HA ALA A 85 -14.632 -15.806 34.747 1.00 13.30 H new ATOM 0 HB1 ALA A 85 -13.758 -14.873 36.904 1.00 24.42 H new ATOM 0 HB2 ALA A 85 -13.558 -16.640 36.840 1.00 24.42 H new ATOM 0 HB3 ALA A 85 -12.161 -15.576 36.550 1.00 24.42 H new ATOM 1347 N MET A 86 -11.888 -14.098 34.078 1.00 51.13 N ATOM 1348 CA MET A 86 -11.322 -12.948 33.422 1.00 12.54 C ATOM 1349 C MET A 86 -11.706 -12.838 31.963 1.00 61.34 C ATOM 1350 O MET A 86 -11.983 -11.753 31.458 1.00 31.13 O ATOM 1351 CB MET A 86 -9.792 -12.983 33.512 1.00 24.24 C ATOM 1352 CG MET A 86 -9.187 -12.751 34.913 1.00 34.22 C ATOM 1353 SD MET A 86 -9.576 -13.897 36.267 1.00 52.44 S ATOM 1354 CE MET A 86 -8.538 -13.026 37.475 1.00 3.10 C ATOM 0 H MET A 86 -11.173 -14.758 34.383 1.00 51.13 H new ATOM 0 HA MET A 86 -11.728 -12.081 33.943 1.00 12.54 H new ATOM 0 HB2 MET A 86 -9.449 -13.951 33.147 1.00 24.24 H new ATOM 0 HB3 MET A 86 -9.392 -12.227 32.836 1.00 24.24 H new ATOM 0 HG2 MET A 86 -8.103 -12.737 34.800 1.00 34.22 H new ATOM 0 HG3 MET A 86 -9.487 -11.754 35.235 1.00 34.22 H new ATOM 0 HE1 MET A 86 -8.592 -13.536 38.437 1.00 3.10 H new ATOM 0 HE2 MET A 86 -7.505 -13.016 37.127 1.00 3.10 H new ATOM 0 HE3 MET A 86 -8.893 -12.001 37.588 1.00 3.10 H new ATOM 1364 N ALA A 87 -11.716 -13.977 31.246 1.00 44.42 N ATOM 1365 CA ALA A 87 -12.105 -14.037 29.853 1.00 23.43 C ATOM 1366 C ALA A 87 -13.546 -13.592 29.616 1.00 63.55 C ATOM 1367 O ALA A 87 -13.826 -12.734 28.781 1.00 45.32 O ATOM 1368 CB ALA A 87 -11.917 -15.480 29.341 1.00 31.43 C ATOM 0 H ALA A 87 -11.449 -14.882 31.635 1.00 44.42 H new ATOM 0 HA ALA A 87 -11.467 -13.343 29.305 1.00 23.43 H new ATOM 0 HB1 ALA A 87 -12.208 -15.535 28.292 1.00 31.43 H new ATOM 0 HB2 ALA A 87 -10.871 -15.769 29.443 1.00 31.43 H new ATOM 0 HB3 ALA A 87 -12.539 -16.158 29.926 1.00 31.43 H new ATOM 1374 N LYS A 88 -14.500 -14.109 30.421 1.00 42.15 N ATOM 1375 CA LYS A 88 -15.890 -13.686 30.369 1.00 74.44 C ATOM 1376 C LYS A 88 -16.083 -12.278 30.890 1.00 21.12 C ATOM 1377 O LYS A 88 -16.950 -11.549 30.420 1.00 31.42 O ATOM 1378 CB LYS A 88 -16.859 -14.693 31.063 1.00 4.51 C ATOM 1379 CG LYS A 88 -16.710 -14.938 32.578 1.00 14.14 C ATOM 1380 CD LYS A 88 -17.448 -13.970 33.527 1.00 34.02 C ATOM 1381 CE LYS A 88 -18.965 -13.950 33.346 1.00 42.34 C ATOM 1382 NZ LYS A 88 -19.592 -13.175 34.435 1.00 4.23 N ATOM 0 H LYS A 88 -14.314 -14.829 31.119 1.00 42.15 H new ATOM 0 HA LYS A 88 -16.156 -13.678 29.312 1.00 74.44 H new ATOM 0 HB2 LYS A 88 -17.878 -14.350 30.882 1.00 4.51 H new ATOM 0 HB3 LYS A 88 -16.752 -15.654 30.560 1.00 4.51 H new ATOM 0 HG2 LYS A 88 -17.056 -15.949 32.792 1.00 14.14 H new ATOM 0 HG3 LYS A 88 -15.648 -14.906 32.822 1.00 14.14 H new ATOM 0 HD2 LYS A 88 -17.220 -14.244 34.557 1.00 34.02 H new ATOM 0 HD3 LYS A 88 -17.062 -12.963 33.373 1.00 34.02 H new ATOM 0 HE2 LYS A 88 -19.219 -13.509 32.382 1.00 42.34 H new ATOM 0 HE3 LYS A 88 -19.353 -14.969 33.343 1.00 42.34 H new ATOM 0 HZ1 LYS A 88 -20.624 -13.166 34.305 1.00 4.23 H new ATOM 0 HZ2 LYS A 88 -19.362 -13.613 35.350 1.00 4.23 H new ATOM 0 HZ3 LYS A 88 -19.232 -12.199 34.418 1.00 4.23 H new ATOM 1396 N GLN A 89 -15.224 -11.828 31.831 1.00 60.22 N ATOM 1397 CA GLN A 89 -15.151 -10.458 32.287 1.00 14.30 C ATOM 1398 C GLN A 89 -14.809 -9.439 31.225 1.00 51.44 C ATOM 1399 O GLN A 89 -15.463 -8.401 31.185 1.00 14.34 O ATOM 1400 CB GLN A 89 -14.186 -10.308 33.486 1.00 62.01 C ATOM 1401 CG GLN A 89 -14.001 -8.856 33.969 1.00 73.21 C ATOM 1402 CD GLN A 89 -13.384 -8.764 35.364 1.00 70.34 C ATOM 1403 OE1 GLN A 89 -13.967 -8.192 36.287 1.00 4.54 O ATOM 1404 NE2 GLN A 89 -12.167 -9.338 35.528 1.00 42.33 N ATOM 0 H GLN A 89 -14.552 -12.439 32.295 1.00 60.22 H new ATOM 0 HA GLN A 89 -16.172 -10.233 32.597 1.00 14.30 H new ATOM 0 HB2 GLN A 89 -14.558 -10.910 34.315 1.00 62.01 H new ATOM 0 HB3 GLN A 89 -13.213 -10.714 33.208 1.00 62.01 H new ATOM 0 HG2 GLN A 89 -13.367 -8.322 33.261 1.00 73.21 H new ATOM 0 HG3 GLN A 89 -14.969 -8.354 33.972 1.00 73.21 H new ATOM 0 HE21 GLN A 89 -11.713 -9.803 34.742 1.00 42.33 H new ATOM 0 HE22 GLN A 89 -11.706 -9.304 36.437 1.00 42.33 H new ATOM 1413 N LEU A 90 -13.844 -9.665 30.300 1.00 44.03 N ATOM 1414 CA LEU A 90 -13.588 -8.728 29.244 1.00 64.53 C ATOM 1415 C LEU A 90 -14.776 -8.565 28.306 1.00 64.51 C ATOM 1416 O LEU A 90 -15.142 -7.456 27.919 1.00 32.32 O ATOM 1417 CB LEU A 90 -12.337 -9.168 28.468 1.00 74.31 C ATOM 1418 CG LEU A 90 -10.970 -9.111 29.195 1.00 74.04 C ATOM 1419 CD1 LEU A 90 -9.817 -9.424 28.212 1.00 21.43 C ATOM 1420 CD2 LEU A 90 -10.692 -7.806 29.962 1.00 22.12 C ATOM 0 H LEU A 90 -13.247 -10.492 30.287 1.00 44.03 H new ATOM 0 HA LEU A 90 -13.418 -7.751 29.696 1.00 64.53 H new ATOM 0 HB2 LEU A 90 -12.495 -10.194 28.135 1.00 74.31 H new ATOM 0 HB3 LEU A 90 -12.265 -8.550 27.573 1.00 74.31 H new ATOM 0 HG LEU A 90 -11.025 -9.882 29.963 1.00 74.04 H new ATOM 0 HD11 LEU A 90 -8.865 -9.379 28.741 1.00 21.43 H new ATOM 0 HD12 LEU A 90 -9.954 -10.422 27.796 1.00 21.43 H new ATOM 0 HD13 LEU A 90 -9.818 -8.692 27.405 1.00 21.43 H new ATOM 0 HD21 LEU A 90 -9.712 -7.864 30.436 1.00 22.12 H new ATOM 0 HD22 LEU A 90 -10.710 -6.965 29.268 1.00 22.12 H new ATOM 0 HD23 LEU A 90 -11.456 -7.663 30.726 1.00 22.12 H new ATOM 1432 N LEU A 91 -15.447 -9.683 27.969 1.00 2.13 N ATOM 1433 CA LEU A 91 -16.688 -9.674 27.218 1.00 22.25 C ATOM 1434 C LEU A 91 -17.822 -8.988 28.001 1.00 14.10 C ATOM 1435 O LEU A 91 -18.588 -8.203 27.445 1.00 33.11 O ATOM 1436 CB LEU A 91 -17.020 -11.132 26.804 1.00 73.11 C ATOM 1437 CG LEU A 91 -16.025 -11.714 25.763 1.00 4.41 C ATOM 1438 CD1 LEU A 91 -15.805 -13.218 25.943 1.00 33.50 C ATOM 1439 CD2 LEU A 91 -16.503 -11.479 24.329 1.00 13.11 C ATOM 0 H LEU A 91 -15.129 -10.619 28.219 1.00 2.13 H new ATOM 0 HA LEU A 91 -16.575 -9.078 26.313 1.00 22.25 H new ATOM 0 HB2 LEU A 91 -17.018 -11.764 27.692 1.00 73.11 H new ATOM 0 HB3 LEU A 91 -18.028 -11.165 26.391 1.00 73.11 H new ATOM 0 HG LEU A 91 -15.087 -11.187 25.936 1.00 4.41 H new ATOM 0 HD11 LEU A 91 -15.102 -13.575 25.191 1.00 33.50 H new ATOM 0 HD12 LEU A 91 -15.402 -13.410 26.937 1.00 33.50 H new ATOM 0 HD13 LEU A 91 -16.755 -13.741 25.829 1.00 33.50 H new ATOM 0 HD21 LEU A 91 -15.780 -11.901 23.631 1.00 13.11 H new ATOM 0 HD22 LEU A 91 -17.470 -11.960 24.184 1.00 13.11 H new ATOM 0 HD23 LEU A 91 -16.600 -10.408 24.149 1.00 13.11 H new ATOM 1451 N ASP A 92 -17.928 -9.219 29.337 1.00 24.12 N ATOM 1452 CA ASP A 92 -18.882 -8.561 30.218 1.00 63.13 C ATOM 1453 C ASP A 92 -18.642 -7.050 30.321 1.00 23.30 C ATOM 1454 O ASP A 92 -19.596 -6.281 30.251 1.00 64.50 O ATOM 1455 CB ASP A 92 -18.852 -9.235 31.620 1.00 72.13 C ATOM 1456 CG ASP A 92 -19.974 -8.770 32.547 1.00 25.41 C ATOM 1457 OD1 ASP A 92 -21.159 -8.963 32.174 1.00 4.24 O ATOM 1458 OD2 ASP A 92 -19.647 -8.248 33.644 1.00 41.12 O ATOM 0 H ASP A 92 -17.331 -9.886 29.825 1.00 24.12 H new ATOM 0 HA ASP A 92 -19.875 -8.681 29.784 1.00 63.13 H new ATOM 0 HB2 ASP A 92 -18.919 -10.316 31.496 1.00 72.13 H new ATOM 0 HB3 ASP A 92 -17.892 -9.028 32.093 1.00 72.13 H new ATOM 1463 N ILE A 93 -17.368 -6.587 30.437 1.00 64.24 N ATOM 1464 CA ILE A 93 -16.998 -5.166 30.432 1.00 55.52 C ATOM 1465 C ILE A 93 -17.429 -4.519 29.141 1.00 55.12 C ATOM 1466 O ILE A 93 -18.036 -3.451 29.149 1.00 61.20 O ATOM 1467 CB ILE A 93 -15.489 -4.912 30.550 1.00 2.42 C ATOM 1468 CG1 ILE A 93 -14.911 -5.263 31.939 1.00 42.51 C ATOM 1469 CG2 ILE A 93 -15.125 -3.451 30.195 1.00 1.23 C ATOM 1470 CD1 ILE A 93 -13.371 -5.317 31.981 1.00 43.45 C ATOM 0 H ILE A 93 -16.566 -7.209 30.538 1.00 64.24 H new ATOM 0 HA ILE A 93 -17.499 -4.747 31.305 1.00 55.52 H new ATOM 0 HB ILE A 93 -15.032 -5.586 29.826 1.00 2.42 H new ATOM 0 HG12 ILE A 93 -15.258 -4.526 32.663 1.00 42.51 H new ATOM 0 HG13 ILE A 93 -15.307 -6.229 32.253 1.00 42.51 H new ATOM 0 HG21 ILE A 93 -14.048 -3.311 30.290 1.00 1.23 H new ATOM 0 HG22 ILE A 93 -15.429 -3.239 29.170 1.00 1.23 H new ATOM 0 HG23 ILE A 93 -15.641 -2.772 30.874 1.00 1.23 H new ATOM 0 HD11 ILE A 93 -13.043 -5.569 32.989 1.00 43.45 H new ATOM 0 HD12 ILE A 93 -13.014 -6.075 31.283 1.00 43.45 H new ATOM 0 HD13 ILE A 93 -12.965 -4.345 31.700 1.00 43.45 H new ATOM 1482 N LYS A 94 -17.169 -5.182 27.994 1.00 25.42 N ATOM 1483 CA LYS A 94 -17.554 -4.683 26.697 1.00 72.43 C ATOM 1484 C LYS A 94 -19.028 -4.486 26.597 1.00 42.14 C ATOM 1485 O LYS A 94 -19.503 -3.389 26.327 1.00 15.34 O ATOM 1486 CB LYS A 94 -17.155 -5.698 25.589 1.00 50.43 C ATOM 1487 CG LYS A 94 -17.761 -5.338 24.229 1.00 0.53 C ATOM 1488 CD LYS A 94 -17.464 -6.261 23.043 1.00 30.41 C ATOM 1489 CE LYS A 94 -18.305 -5.730 21.890 1.00 43.04 C ATOM 1490 NZ LYS A 94 -17.761 -6.092 20.574 1.00 31.35 N ATOM 0 H LYS A 94 -16.684 -6.079 27.963 1.00 25.42 H new ATOM 0 HA LYS A 94 -17.042 -3.730 26.565 1.00 72.43 H new ATOM 0 HB2 LYS A 94 -16.069 -5.732 25.503 1.00 50.43 H new ATOM 0 HB3 LYS A 94 -17.483 -6.696 25.878 1.00 50.43 H new ATOM 0 HG2 LYS A 94 -18.843 -5.286 24.349 1.00 0.53 H new ATOM 0 HG3 LYS A 94 -17.421 -4.336 23.966 1.00 0.53 H new ATOM 0 HD2 LYS A 94 -16.403 -6.248 22.793 1.00 30.41 H new ATOM 0 HD3 LYS A 94 -17.725 -7.294 23.275 1.00 30.41 H new ATOM 0 HE2 LYS A 94 -19.320 -6.118 21.978 1.00 43.04 H new ATOM 0 HE3 LYS A 94 -18.371 -4.645 21.965 1.00 43.04 H new ATOM 0 HZ1 LYS A 94 -18.051 -5.382 19.871 1.00 31.35 H new ATOM 0 HZ2 LYS A 94 -16.723 -6.125 20.625 1.00 31.35 H new ATOM 0 HZ3 LYS A 94 -18.124 -7.025 20.293 1.00 31.35 H new ATOM 1504 N HIS A 95 -19.813 -5.523 26.905 1.00 43.51 N ATOM 1505 CA HIS A 95 -21.229 -5.452 26.677 1.00 53.01 C ATOM 1506 C HIS A 95 -21.868 -4.480 27.669 1.00 45.13 C ATOM 1507 O HIS A 95 -22.858 -3.819 27.363 1.00 40.24 O ATOM 1508 CB HIS A 95 -21.826 -6.854 26.820 1.00 43.45 C ATOM 1509 CG HIS A 95 -21.363 -7.826 25.767 1.00 54.11 C ATOM 1510 ND1 HIS A 95 -21.591 -9.169 25.883 1.00 1.24 N ATOM 1511 CD2 HIS A 95 -20.649 -7.647 24.632 1.00 34.41 C ATOM 1512 CE1 HIS A 95 -21.030 -9.787 24.860 1.00 51.50 C ATOM 1513 NE2 HIS A 95 -20.450 -8.887 24.087 1.00 13.34 N ATOM 0 H HIS A 95 -19.483 -6.401 27.306 1.00 43.51 H new ATOM 0 HA HIS A 95 -21.428 -5.084 25.671 1.00 53.01 H new ATOM 0 HB2 HIS A 95 -21.569 -7.249 27.803 1.00 43.45 H new ATOM 0 HB3 HIS A 95 -22.913 -6.781 26.780 1.00 43.45 H new ATOM 0 HD2 HIS A 95 -20.302 -6.706 24.232 1.00 34.41 H new ATOM 0 HE1 HIS A 95 -21.043 -10.853 24.684 1.00 51.50 H new ATOM 0 HE2 HIS A 95 -19.939 -9.083 23.227 1.00 13.34 H new ATOM 1522 N SER A 96 -21.265 -4.349 28.882 1.00 61.34 N ATOM 1523 CA SER A 96 -21.666 -3.379 29.900 1.00 44.11 C ATOM 1524 C SER A 96 -21.427 -1.952 29.474 1.00 2.54 C ATOM 1525 O SER A 96 -22.202 -1.045 29.744 1.00 1.13 O ATOM 1526 CB SER A 96 -20.901 -3.596 31.228 1.00 31.20 C ATOM 1527 OG SER A 96 -21.372 -2.772 32.297 1.00 61.24 O ATOM 0 H SER A 96 -20.477 -4.930 29.169 1.00 61.34 H new ATOM 0 HA SER A 96 -22.735 -3.543 30.039 1.00 44.11 H new ATOM 0 HB2 SER A 96 -20.987 -4.642 31.521 1.00 31.20 H new ATOM 0 HB3 SER A 96 -19.842 -3.396 31.065 1.00 31.20 H new ATOM 0 HG SER A 96 -20.851 -2.957 33.106 1.00 61.24 H new ATOM 1533 N CYS A 97 -20.284 -1.711 28.831 1.00 60.55 N ATOM 1534 CA CYS A 97 -19.922 -0.434 28.269 1.00 34.52 C ATOM 1535 C CYS A 97 -20.768 -0.017 27.090 1.00 31.33 C ATOM 1536 O CYS A 97 -21.086 1.159 26.941 1.00 43.21 O ATOM 1537 CB CYS A 97 -18.422 -0.383 27.954 1.00 23.43 C ATOM 1538 SG CYS A 97 -17.372 -0.037 29.388 1.00 24.14 S ATOM 0 H CYS A 97 -19.572 -2.428 28.689 1.00 60.55 H new ATOM 0 HA CYS A 97 -20.137 0.309 29.037 1.00 34.52 H new ATOM 0 HB2 CYS A 97 -18.121 -1.336 27.519 1.00 23.43 H new ATOM 0 HB3 CYS A 97 -18.247 0.382 27.197 1.00 23.43 H new ATOM 1543 N GLU A 98 -21.199 -0.972 26.241 1.00 61.15 N ATOM 1544 CA GLU A 98 -21.957 -0.729 25.018 1.00 61.51 C ATOM 1545 C GLU A 98 -23.278 -0.039 25.269 1.00 63.12 C ATOM 1546 O GLU A 98 -23.790 0.677 24.416 1.00 42.33 O ATOM 1547 CB GLU A 98 -22.231 -2.064 24.281 1.00 42.13 C ATOM 1548 CG GLU A 98 -20.959 -2.679 23.656 1.00 21.14 C ATOM 1549 CD GLU A 98 -20.592 -2.072 22.301 1.00 51.45 C ATOM 1550 OE1 GLU A 98 -20.359 -0.839 22.231 1.00 4.42 O ATOM 1551 OE2 GLU A 98 -20.541 -2.854 21.315 1.00 30.23 O ATOM 0 H GLU A 98 -21.018 -1.963 26.402 1.00 61.15 H new ATOM 0 HA GLU A 98 -21.342 -0.068 24.407 1.00 61.51 H new ATOM 0 HB2 GLU A 98 -22.666 -2.777 24.981 1.00 42.13 H new ATOM 0 HB3 GLU A 98 -22.970 -1.895 23.497 1.00 42.13 H new ATOM 0 HG2 GLU A 98 -20.124 -2.545 24.344 1.00 21.14 H new ATOM 0 HG3 GLU A 98 -21.104 -3.753 23.537 1.00 21.14 H new ATOM 1558 N LYS A 99 -23.862 -0.262 26.457 1.00 22.44 N ATOM 1559 CA LYS A 99 -25.146 0.305 26.813 1.00 42.21 C ATOM 1560 C LYS A 99 -25.012 1.691 27.433 1.00 52.34 C ATOM 1561 O LYS A 99 -25.982 2.444 27.471 1.00 50.52 O ATOM 1562 CB LYS A 99 -25.916 -0.663 27.751 1.00 4.13 C ATOM 1563 CG LYS A 99 -25.378 -0.766 29.185 1.00 23.03 C ATOM 1564 CD LYS A 99 -25.520 -2.161 29.818 1.00 14.12 C ATOM 1565 CE LYS A 99 -26.968 -2.616 29.996 1.00 75.13 C ATOM 1566 NZ LYS A 99 -26.997 -3.940 30.649 1.00 43.21 N ATOM 0 H LYS A 99 -23.448 -0.841 27.187 1.00 22.44 H new ATOM 0 HA LYS A 99 -25.720 0.432 25.895 1.00 42.21 H new ATOM 0 HB2 LYS A 99 -26.958 -0.345 27.795 1.00 4.13 H new ATOM 0 HB3 LYS A 99 -25.904 -1.658 27.306 1.00 4.13 H new ATOM 0 HG2 LYS A 99 -24.325 -0.485 29.186 1.00 23.03 H new ATOM 0 HG3 LYS A 99 -25.901 -0.042 29.809 1.00 23.03 H new ATOM 0 HD2 LYS A 99 -24.995 -2.886 29.196 1.00 14.12 H new ATOM 0 HD3 LYS A 99 -25.028 -2.160 30.791 1.00 14.12 H new ATOM 0 HE2 LYS A 99 -27.516 -1.891 30.598 1.00 75.13 H new ATOM 0 HE3 LYS A 99 -27.465 -2.667 29.027 1.00 75.13 H new ATOM 0 HZ1 LYS A 99 -27.984 -4.247 30.769 1.00 43.21 H new ATOM 0 HZ2 LYS A 99 -26.489 -4.629 30.059 1.00 43.21 H new ATOM 0 HZ3 LYS A 99 -26.539 -3.878 31.580 1.00 43.21 H new ATOM 1580 N VAL A 100 -23.804 2.064 27.940 1.00 11.13 N ATOM 1581 CA VAL A 100 -23.584 3.324 28.628 1.00 54.44 C ATOM 1582 C VAL A 100 -22.923 4.337 27.719 1.00 3.13 C ATOM 1583 O VAL A 100 -23.154 5.539 27.842 1.00 25.43 O ATOM 1584 CB VAL A 100 -22.761 3.179 29.911 1.00 61.45 C ATOM 1585 CG1 VAL A 100 -23.518 2.226 30.844 1.00 23.21 C ATOM 1586 CG2 VAL A 100 -21.329 2.673 29.693 1.00 33.54 C ATOM 0 H VAL A 100 -22.968 1.484 27.872 1.00 11.13 H new ATOM 0 HA VAL A 100 -24.575 3.677 28.913 1.00 54.44 H new ATOM 0 HB VAL A 100 -22.647 4.173 30.342 1.00 61.45 H new ATOM 0 HG11 VAL A 100 -22.957 2.101 31.770 1.00 23.21 H new ATOM 0 HG12 VAL A 100 -24.501 2.641 31.069 1.00 23.21 H new ATOM 0 HG13 VAL A 100 -23.636 1.258 30.358 1.00 23.21 H new ATOM 0 HG21 VAL A 100 -20.819 2.600 30.653 1.00 33.54 H new ATOM 0 HG22 VAL A 100 -21.358 1.690 29.222 1.00 33.54 H new ATOM 0 HG23 VAL A 100 -20.792 3.368 29.048 1.00 33.54 H new ATOM 1596 N ILE A 101 -22.083 3.874 26.769 1.00 21.31 N ATOM 1597 CA ILE A 101 -21.458 4.739 25.779 1.00 3.21 C ATOM 1598 C ILE A 101 -22.408 5.289 24.730 1.00 14.24 C ATOM 1599 O ILE A 101 -23.434 4.704 24.389 1.00 64.11 O ATOM 1600 CB ILE A 101 -20.295 4.099 25.043 1.00 11.43 C ATOM 1601 CG1 ILE A 101 -20.690 2.826 24.264 1.00 74.32 C ATOM 1602 CG2 ILE A 101 -19.143 3.836 26.030 1.00 21.40 C ATOM 1603 CD1 ILE A 101 -20.142 2.825 22.842 1.00 15.15 C ATOM 0 H ILE A 101 -21.828 2.891 26.677 1.00 21.31 H new ATOM 0 HA ILE A 101 -21.096 5.558 26.400 1.00 3.21 H new ATOM 0 HB ILE A 101 -19.959 4.802 24.281 1.00 11.43 H new ATOM 0 HG12 ILE A 101 -20.320 1.949 24.794 1.00 74.32 H new ATOM 0 HG13 ILE A 101 -21.776 2.744 24.232 1.00 74.32 H new ATOM 0 HG21 ILE A 101 -18.308 3.376 25.501 1.00 21.40 H new ATOM 0 HG22 ILE A 101 -18.819 4.779 26.470 1.00 21.40 H new ATOM 0 HG23 ILE A 101 -19.485 3.166 26.819 1.00 21.40 H new ATOM 0 HD11 ILE A 101 -20.447 1.909 22.335 1.00 15.15 H new ATOM 0 HD12 ILE A 101 -20.533 3.687 22.301 1.00 15.15 H new ATOM 0 HD13 ILE A 101 -19.054 2.878 22.871 1.00 15.15 H new ATOM 1615 N THR A 102 -22.044 6.458 24.150 1.00 71.23 N ATOM 1616 CA THR A 102 -22.670 6.946 22.932 1.00 31.11 C ATOM 1617 C THR A 102 -22.366 6.068 21.741 1.00 13.44 C ATOM 1618 O THR A 102 -21.212 5.805 21.400 1.00 62.23 O ATOM 1619 CB THR A 102 -22.326 8.395 22.589 1.00 23.00 C ATOM 1620 OG1 THR A 102 -22.787 9.259 23.618 1.00 64.34 O ATOM 1621 CG2 THR A 102 -22.928 8.857 21.244 1.00 62.40 C ATOM 0 H THR A 102 -21.317 7.070 24.520 1.00 71.23 H new ATOM 0 HA THR A 102 -23.737 6.907 23.150 1.00 31.11 H new ATOM 0 HB THR A 102 -21.241 8.442 22.499 1.00 23.00 H new ATOM 0 HG1 THR A 102 -22.562 10.186 23.392 1.00 64.34 H new ATOM 0 HG21 THR A 102 -22.648 9.894 21.057 1.00 62.40 H new ATOM 0 HG22 THR A 102 -22.547 8.228 20.440 1.00 62.40 H new ATOM 0 HG23 THR A 102 -24.014 8.776 21.285 1.00 62.40 H new ATOM 1629 N ILE A 103 -23.453 5.650 21.068 1.00 25.15 N ATOM 1630 CA ILE A 103 -23.528 4.870 19.877 1.00 23.42 C ATOM 1631 C ILE A 103 -24.053 5.825 18.872 1.00 1.31 C ATOM 1632 O ILE A 103 -25.018 6.548 19.118 1.00 5.31 O ATOM 1633 CB ILE A 103 -24.477 3.690 19.940 1.00 42.44 C ATOM 1634 CG1 ILE A 103 -23.999 2.720 21.036 1.00 2.21 C ATOM 1635 CG2 ILE A 103 -24.677 3.031 18.544 1.00 32.31 C ATOM 1636 CD1 ILE A 103 -24.911 1.513 21.198 1.00 61.34 C ATOM 0 H ILE A 103 -24.386 5.891 21.404 1.00 25.15 H new ATOM 0 HA ILE A 103 -22.551 4.435 19.667 1.00 23.42 H new ATOM 0 HB ILE A 103 -25.474 4.029 20.220 1.00 42.44 H new ATOM 0 HG12 ILE A 103 -22.992 2.378 20.798 1.00 2.21 H new ATOM 0 HG13 ILE A 103 -23.939 3.253 21.985 1.00 2.21 H new ATOM 0 HG21 ILE A 103 -25.364 2.190 18.634 1.00 32.31 H new ATOM 0 HG22 ILE A 103 -25.090 3.764 17.851 1.00 32.31 H new ATOM 0 HG23 ILE A 103 -23.717 2.677 18.168 1.00 32.31 H new ATOM 0 HD11 ILE A 103 -24.522 0.866 21.985 1.00 61.34 H new ATOM 0 HD12 ILE A 103 -25.913 1.848 21.466 1.00 61.34 H new ATOM 0 HD13 ILE A 103 -24.952 0.959 20.260 1.00 61.34 H new ATOM 1648 N VAL A 104 -23.407 5.851 17.710 1.00 0.40 N ATOM 1649 CA VAL A 104 -23.839 6.697 16.646 1.00 54.03 C ATOM 1650 C VAL A 104 -24.319 5.775 15.552 1.00 64.23 C ATOM 1651 O VAL A 104 -23.610 4.873 15.111 1.00 10.32 O ATOM 1652 CB VAL A 104 -22.731 7.511 16.084 1.00 23.23 C ATOM 1653 CG1 VAL A 104 -23.206 8.497 15.058 1.00 3.34 C ATOM 1654 CG2 VAL A 104 -21.858 8.200 17.125 1.00 5.23 C ATOM 0 H VAL A 104 -22.583 5.288 17.499 1.00 0.40 H new ATOM 0 HA VAL A 104 -24.601 7.381 17.019 1.00 54.03 H new ATOM 0 HB VAL A 104 -22.092 6.778 15.591 1.00 23.23 H new ATOM 0 HG11 VAL A 104 -22.357 9.066 14.680 1.00 3.34 H new ATOM 0 HG12 VAL A 104 -23.682 7.964 14.235 1.00 3.34 H new ATOM 0 HG13 VAL A 104 -23.925 9.178 15.513 1.00 3.34 H new ATOM 0 HG21 VAL A 104 -21.076 8.771 16.624 1.00 5.23 H new ATOM 0 HG22 VAL A 104 -22.470 8.873 17.726 1.00 5.23 H new ATOM 0 HG23 VAL A 104 -21.402 7.450 17.771 1.00 5.23 H new ATOM 1664 N ALA A 105 -25.540 6.012 15.064 1.00 33.34 N ATOM 1665 CA ALA A 105 -26.085 5.344 13.905 1.00 14.31 C ATOM 1666 C ALA A 105 -25.325 5.606 12.611 1.00 44.44 C ATOM 1667 O ALA A 105 -25.027 4.695 11.844 1.00 60.04 O ATOM 1668 CB ALA A 105 -27.551 5.763 13.703 1.00 30.33 C ATOM 0 H ALA A 105 -26.180 6.688 15.480 1.00 33.34 H new ATOM 0 HA ALA A 105 -25.995 4.278 14.115 1.00 14.31 H new ATOM 0 HB1 ALA A 105 -27.957 5.256 12.828 1.00 30.33 H new ATOM 0 HB2 ALA A 105 -28.132 5.489 14.583 1.00 30.33 H new ATOM 0 HB3 ALA A 105 -27.604 6.842 13.555 1.00 30.33 H new ATOM 1674 N ASP A 106 -24.983 6.886 12.362 1.00 5.50 N ATOM 1675 CA ASP A 106 -24.187 7.339 11.240 1.00 61.23 C ATOM 1676 C ASP A 106 -22.749 6.835 11.240 1.00 62.41 C ATOM 1677 O ASP A 106 -22.174 6.581 10.185 1.00 40.21 O ATOM 1678 CB ASP A 106 -24.188 8.888 11.169 1.00 34.11 C ATOM 1679 CG ASP A 106 -25.583 9.396 10.825 1.00 2.41 C ATOM 1680 OD1 ASP A 106 -26.185 10.064 11.706 1.00 71.33 O ATOM 1681 OD2 ASP A 106 -26.050 9.126 9.690 1.00 72.13 O ATOM 0 H ASP A 106 -25.273 7.651 12.971 1.00 5.50 H new ATOM 0 HA ASP A 106 -24.663 6.909 10.359 1.00 61.23 H new ATOM 0 HB2 ASP A 106 -23.866 9.304 12.124 1.00 34.11 H new ATOM 0 HB3 ASP A 106 -23.474 9.226 10.418 1.00 34.11 H new ATOM 1686 N ASP A 107 -22.115 6.758 12.428 1.00 73.02 N ATOM 1687 CA ASP A 107 -20.675 6.665 12.539 1.00 53.50 C ATOM 1688 C ASP A 107 -20.319 5.475 13.433 1.00 75.21 C ATOM 1689 O ASP A 107 -20.274 5.664 14.648 1.00 32.41 O ATOM 1690 CB ASP A 107 -20.114 7.977 13.161 1.00 63.34 C ATOM 1691 CG ASP A 107 -18.599 8.062 13.069 1.00 61.13 C ATOM 1692 OD1 ASP A 107 -18.087 8.225 11.933 1.00 74.44 O ATOM 1693 OD2 ASP A 107 -17.941 7.927 14.133 1.00 1.34 O ATOM 0 H ASP A 107 -22.600 6.760 13.325 1.00 73.02 H new ATOM 0 HA ASP A 107 -20.237 6.524 11.551 1.00 53.50 H new ATOM 0 HB2 ASP A 107 -20.555 8.834 12.652 1.00 63.34 H new ATOM 0 HB3 ASP A 107 -20.415 8.038 14.207 1.00 63.34 H new ATOM 1698 N PRO A 108 -20.001 4.272 12.971 1.00 32.35 N ATOM 1699 CA PRO A 108 -19.648 3.160 13.855 1.00 2.43 C ATOM 1700 C PRO A 108 -18.318 3.368 14.560 1.00 3.04 C ATOM 1701 O PRO A 108 -18.003 2.627 15.490 1.00 23.31 O ATOM 1702 CB PRO A 108 -19.606 1.953 12.903 1.00 74.12 C ATOM 1703 CG PRO A 108 -19.241 2.554 11.542 1.00 45.05 C ATOM 1704 CD PRO A 108 -19.993 3.885 11.557 1.00 33.03 C ATOM 0 HA PRO A 108 -20.360 3.040 14.672 1.00 2.43 H new ATOM 0 HB2 PRO A 108 -18.867 1.219 13.224 1.00 74.12 H new ATOM 0 HB3 PRO A 108 -20.568 1.442 12.867 1.00 74.12 H new ATOM 0 HG2 PRO A 108 -18.166 2.696 11.436 1.00 45.05 H new ATOM 0 HG3 PRO A 108 -19.561 1.916 10.718 1.00 45.05 H new ATOM 0 HD2 PRO A 108 -19.493 4.633 10.941 1.00 33.03 H new ATOM 0 HD3 PRO A 108 -21.005 3.776 11.167 1.00 33.03 H new ATOM 1712 N CYS A 109 -17.507 4.350 14.109 1.00 24.45 N ATOM 1713 CA CYS A 109 -16.177 4.613 14.594 1.00 12.51 C ATOM 1714 C CYS A 109 -16.217 5.177 16.006 1.00 50.40 C ATOM 1715 O CYS A 109 -15.496 4.721 16.891 1.00 41.45 O ATOM 1716 CB CYS A 109 -15.458 5.585 13.632 1.00 22.31 C ATOM 1717 SG CYS A 109 -15.356 4.919 11.935 1.00 32.04 S ATOM 0 H CYS A 109 -17.792 4.993 13.370 1.00 24.45 H new ATOM 0 HA CYS A 109 -15.621 3.676 14.630 1.00 12.51 H new ATOM 0 HB2 CYS A 109 -15.988 6.537 13.616 1.00 22.31 H new ATOM 0 HB3 CYS A 109 -14.453 5.785 14.004 1.00 22.31 H new ATOM 1722 N GLN A 110 -17.131 6.145 16.275 1.00 1.30 N ATOM 1723 CA GLN A 110 -17.397 6.676 17.605 1.00 71.23 C ATOM 1724 C GLN A 110 -17.897 5.605 18.528 1.00 40.40 C ATOM 1725 O GLN A 110 -17.378 5.469 19.628 1.00 3.33 O ATOM 1726 CB GLN A 110 -18.445 7.823 17.587 1.00 50.44 C ATOM 1727 CG GLN A 110 -17.955 9.163 18.185 1.00 44.01 C ATOM 1728 CD GLN A 110 -17.225 9.990 17.130 1.00 31.41 C ATOM 1729 OE1 GLN A 110 -17.522 11.164 16.904 1.00 23.33 O ATOM 1730 NE2 GLN A 110 -16.286 9.320 16.421 1.00 13.30 N ATOM 0 H GLN A 110 -17.705 6.575 15.550 1.00 1.30 H new ATOM 0 HA GLN A 110 -16.445 7.069 17.962 1.00 71.23 H new ATOM 0 HB2 GLN A 110 -18.757 7.994 16.557 1.00 50.44 H new ATOM 0 HB3 GLN A 110 -19.328 7.498 18.137 1.00 50.44 H new ATOM 0 HG2 GLN A 110 -18.804 9.726 18.572 1.00 44.01 H new ATOM 0 HG3 GLN A 110 -17.290 8.970 19.027 1.00 44.01 H new ATOM 0 HE21 GLN A 110 -16.075 8.348 16.646 1.00 13.30 H new ATOM 0 HE22 GLN A 110 -15.790 9.787 15.662 1.00 13.30 H new ATOM 1739 N THR A 111 -18.847 4.760 18.064 1.00 70.32 N ATOM 1740 CA THR A 111 -19.336 3.628 18.856 1.00 2.41 C ATOM 1741 C THR A 111 -18.194 2.706 19.284 1.00 62.21 C ATOM 1742 O THR A 111 -18.078 2.362 20.457 1.00 72.00 O ATOM 1743 CB THR A 111 -20.335 2.767 18.099 1.00 3.22 C ATOM 1744 OG1 THR A 111 -21.432 3.555 17.659 1.00 32.30 O ATOM 1745 CG2 THR A 111 -20.868 1.621 18.995 1.00 41.34 C ATOM 0 H THR A 111 -19.284 4.848 17.146 1.00 70.32 H new ATOM 0 HA THR A 111 -19.820 4.081 19.721 1.00 2.41 H new ATOM 0 HB THR A 111 -19.820 2.339 17.239 1.00 3.22 H new ATOM 0 HG1 THR A 111 -21.891 3.096 16.925 1.00 32.30 H new ATOM 0 HG21 THR A 111 -21.581 1.020 18.431 1.00 41.34 H new ATOM 0 HG22 THR A 111 -20.037 0.993 19.315 1.00 41.34 H new ATOM 0 HG23 THR A 111 -21.362 2.043 19.870 1.00 41.34 H new ATOM 1753 N MET A 112 -17.277 2.335 18.360 1.00 31.30 N ATOM 1754 CA MET A 112 -16.142 1.482 18.671 1.00 13.22 C ATOM 1755 C MET A 112 -15.126 2.134 19.612 1.00 24.33 C ATOM 1756 O MET A 112 -14.710 1.541 20.602 1.00 63.11 O ATOM 1757 CB MET A 112 -15.398 1.079 17.373 1.00 64.13 C ATOM 1758 CG MET A 112 -14.448 -0.117 17.562 1.00 43.44 C ATOM 1759 SD MET A 112 -15.350 -1.663 17.918 1.00 63.13 S ATOM 1760 CE MET A 112 -13.922 -2.771 18.073 1.00 60.20 C ATOM 0 H MET A 112 -17.317 2.627 17.383 1.00 31.30 H new ATOM 0 HA MET A 112 -16.562 0.612 19.176 1.00 13.22 H new ATOM 0 HB2 MET A 112 -16.130 0.834 16.604 1.00 64.13 H new ATOM 0 HB3 MET A 112 -14.827 1.933 17.009 1.00 64.13 H new ATOM 0 HG2 MET A 112 -13.847 -0.248 16.662 1.00 43.44 H new ATOM 0 HG3 MET A 112 -13.757 0.095 18.378 1.00 43.44 H new ATOM 0 HE1 MET A 112 -14.257 -3.750 18.415 1.00 60.20 H new ATOM 0 HE2 MET A 112 -13.433 -2.873 17.104 1.00 60.20 H new ATOM 0 HE3 MET A 112 -13.217 -2.357 18.793 1.00 60.20 H new ATOM 1770 N LEU A 113 -14.717 3.394 19.331 1.00 61.05 N ATOM 1771 CA LEU A 113 -13.741 4.165 20.097 1.00 52.23 C ATOM 1772 C LEU A 113 -14.240 4.527 21.473 1.00 23.03 C ATOM 1773 O LEU A 113 -13.541 4.338 22.468 1.00 4.35 O ATOM 1774 CB LEU A 113 -13.385 5.407 19.256 1.00 20.12 C ATOM 1775 CG LEU A 113 -12.141 6.291 19.535 1.00 20.22 C ATOM 1776 CD1 LEU A 113 -12.349 7.760 19.105 1.00 64.45 C ATOM 1777 CD2 LEU A 113 -11.404 6.159 20.867 1.00 22.42 C ATOM 0 H LEU A 113 -15.080 3.911 18.530 1.00 61.05 H new ATOM 0 HA LEU A 113 -12.850 3.564 20.279 1.00 52.23 H new ATOM 0 HB2 LEU A 113 -13.297 5.066 18.224 1.00 20.12 H new ATOM 0 HB3 LEU A 113 -14.250 6.068 19.300 1.00 20.12 H new ATOM 0 HG LEU A 113 -11.414 5.819 18.873 1.00 20.22 H new ATOM 0 HD11 LEU A 113 -11.448 8.334 19.323 1.00 64.45 H new ATOM 0 HD12 LEU A 113 -12.555 7.800 18.035 1.00 64.45 H new ATOM 0 HD13 LEU A 113 -13.191 8.184 19.653 1.00 64.45 H new ATOM 0 HD21 LEU A 113 -10.563 6.852 20.887 1.00 22.42 H new ATOM 0 HD22 LEU A 113 -12.086 6.392 21.685 1.00 22.42 H new ATOM 0 HD23 LEU A 113 -11.037 5.139 20.980 1.00 22.42 H new ATOM 1789 N ASN A 114 -15.510 4.987 21.568 1.00 55.03 N ATOM 1790 CA ASN A 114 -16.164 5.321 22.826 1.00 43.42 C ATOM 1791 C ASN A 114 -16.269 4.083 23.691 1.00 3.43 C ATOM 1792 O ASN A 114 -16.012 4.123 24.893 1.00 71.35 O ATOM 1793 CB ASN A 114 -17.611 5.865 22.694 1.00 54.30 C ATOM 1794 CG ASN A 114 -17.662 7.252 22.059 1.00 11.22 C ATOM 1795 OD1 ASN A 114 -16.706 8.029 22.058 1.00 51.11 O ATOM 1796 ND2 ASN A 114 -18.859 7.577 21.500 1.00 44.43 N ATOM 0 H ASN A 114 -16.106 5.134 20.753 1.00 55.03 H new ATOM 0 HA ASN A 114 -15.540 6.107 23.252 1.00 43.42 H new ATOM 0 HB2 ASN A 114 -18.202 5.173 22.094 1.00 54.30 H new ATOM 0 HB3 ASN A 114 -18.072 5.904 23.681 1.00 54.30 H new ATOM 0 HD21 ASN A 114 -18.986 8.489 21.062 1.00 44.43 H new ATOM 0 HD22 ASN A 114 -19.629 6.908 21.519 1.00 44.43 H new ATOM 1803 N LEU A 115 -16.619 2.926 23.080 1.00 5.40 N ATOM 1804 CA LEU A 115 -16.632 1.655 23.763 1.00 10.00 C ATOM 1805 C LEU A 115 -15.274 1.252 24.242 1.00 42.00 C ATOM 1806 O LEU A 115 -15.108 0.840 25.381 1.00 23.45 O ATOM 1807 CB LEU A 115 -17.151 0.530 22.849 1.00 62.24 C ATOM 1808 CG LEU A 115 -17.183 -0.868 23.496 1.00 33.33 C ATOM 1809 CD1 LEU A 115 -15.882 -1.673 23.415 1.00 70.13 C ATOM 1810 CD2 LEU A 115 -17.835 -0.871 24.871 1.00 35.22 C ATOM 0 H LEU A 115 -16.897 2.871 22.100 1.00 5.40 H new ATOM 0 HA LEU A 115 -17.295 1.792 24.617 1.00 10.00 H new ATOM 0 HB2 LEU A 115 -18.158 0.785 22.519 1.00 62.24 H new ATOM 0 HB3 LEU A 115 -16.525 0.488 21.958 1.00 62.24 H new ATOM 0 HG LEU A 115 -17.847 -1.440 22.848 1.00 33.33 H new ATOM 0 HD11 LEU A 115 -16.021 -2.638 23.902 1.00 70.13 H new ATOM 0 HD12 LEU A 115 -15.615 -1.829 22.370 1.00 70.13 H new ATOM 0 HD13 LEU A 115 -15.084 -1.125 23.916 1.00 70.13 H new ATOM 0 HD21 LEU A 115 -17.828 -1.883 25.275 1.00 35.22 H new ATOM 0 HD22 LEU A 115 -17.281 -0.210 25.538 1.00 35.22 H new ATOM 0 HD23 LEU A 115 -18.864 -0.522 24.786 1.00 35.22 H new ATOM 1822 N ALA A 116 -14.266 1.377 23.369 1.00 11.52 N ATOM 1823 CA ALA A 116 -12.904 0.950 23.609 1.00 23.50 C ATOM 1824 C ALA A 116 -12.293 1.716 24.754 1.00 34.03 C ATOM 1825 O ALA A 116 -11.618 1.152 25.616 1.00 0.40 O ATOM 1826 CB ALA A 116 -12.027 1.124 22.355 1.00 1.14 C ATOM 0 H ALA A 116 -14.393 1.794 22.447 1.00 11.52 H new ATOM 0 HA ALA A 116 -12.943 -0.109 23.864 1.00 23.50 H new ATOM 0 HB1 ALA A 116 -11.011 0.793 22.573 1.00 1.14 H new ATOM 0 HB2 ALA A 116 -12.436 0.528 21.539 1.00 1.14 H new ATOM 0 HB3 ALA A 116 -12.012 2.174 22.064 1.00 1.14 H new ATOM 1832 N MET A 117 -12.549 3.044 24.793 1.00 34.21 N ATOM 1833 CA MET A 117 -12.066 3.883 25.857 1.00 0.33 C ATOM 1834 C MET A 117 -12.850 3.628 27.151 1.00 60.02 C ATOM 1835 O MET A 117 -12.276 3.744 28.228 1.00 60.11 O ATOM 1836 CB MET A 117 -12.037 5.379 25.392 1.00 25.30 C ATOM 1837 CG MET A 117 -13.390 6.101 25.326 1.00 10.42 C ATOM 1838 SD MET A 117 -13.253 7.831 24.780 1.00 73.12 S ATOM 1839 CE MET A 117 -14.927 8.322 25.285 1.00 1.24 C ATOM 0 H MET A 117 -13.092 3.537 24.085 1.00 34.21 H new ATOM 0 HA MET A 117 -11.034 3.627 26.098 1.00 0.33 H new ATOM 0 HB2 MET A 117 -11.387 5.934 26.068 1.00 25.30 H new ATOM 0 HB3 MET A 117 -11.579 5.420 24.404 1.00 25.30 H new ATOM 0 HG2 MET A 117 -14.049 5.563 24.645 1.00 10.42 H new ATOM 0 HG3 MET A 117 -13.858 6.073 26.310 1.00 10.42 H new ATOM 0 HE1 MET A 117 -15.253 9.173 24.686 1.00 1.24 H new ATOM 0 HE2 MET A 117 -15.612 7.488 25.133 1.00 1.24 H new ATOM 0 HE3 MET A 117 -14.922 8.601 26.339 1.00 1.24 H new ATOM 1849 N CYS A 118 -14.153 3.210 27.093 1.00 31.24 N ATOM 1850 CA CYS A 118 -14.884 2.679 28.259 1.00 52.40 C ATOM 1851 C CYS A 118 -14.381 1.315 28.718 1.00 32.42 C ATOM 1852 O CYS A 118 -14.129 1.101 29.903 1.00 31.51 O ATOM 1853 CB CYS A 118 -16.420 2.581 28.012 1.00 0.32 C ATOM 1854 SG CYS A 118 -17.447 2.008 29.431 1.00 73.24 S ATOM 0 H CYS A 118 -14.709 3.237 26.239 1.00 31.24 H new ATOM 0 HA CYS A 118 -14.689 3.406 29.047 1.00 52.40 H new ATOM 0 HB2 CYS A 118 -16.779 3.563 27.706 1.00 0.32 H new ATOM 0 HB3 CYS A 118 -16.588 1.904 27.174 1.00 0.32 H new ATOM 1859 N PHE A 119 -14.168 0.358 27.784 1.00 65.11 N ATOM 1860 CA PHE A 119 -13.564 -0.932 28.067 1.00 21.22 C ATOM 1861 C PHE A 119 -12.213 -0.872 28.740 1.00 1.01 C ATOM 1862 O PHE A 119 -11.984 -1.544 29.747 1.00 63.20 O ATOM 1863 CB PHE A 119 -13.440 -1.684 26.721 1.00 44.12 C ATOM 1864 CG PHE A 119 -12.696 -2.998 26.785 1.00 44.23 C ATOM 1865 CD1 PHE A 119 -11.317 -2.988 26.496 1.00 72.21 C ATOM 1866 CD2 PHE A 119 -13.299 -4.197 27.187 1.00 2.11 C ATOM 1867 CE1 PHE A 119 -10.550 -4.146 26.631 1.00 70.43 C ATOM 1868 CE2 PHE A 119 -12.529 -5.360 27.320 1.00 44.25 C ATOM 1869 CZ PHE A 119 -11.156 -5.333 27.050 1.00 14.54 C ATOM 0 H PHE A 119 -14.421 0.479 26.803 1.00 65.11 H new ATOM 0 HA PHE A 119 -14.209 -1.442 28.782 1.00 21.22 H new ATOM 0 HB2 PHE A 119 -14.442 -1.870 26.333 1.00 44.12 H new ATOM 0 HB3 PHE A 119 -12.937 -1.034 26.005 1.00 44.12 H new ATOM 0 HD1 PHE A 119 -10.848 -2.073 26.166 1.00 72.21 H new ATOM 0 HD2 PHE A 119 -14.358 -4.225 27.395 1.00 2.11 H new ATOM 0 HE1 PHE A 119 -9.493 -4.125 26.413 1.00 70.43 H new ATOM 0 HE2 PHE A 119 -12.997 -6.282 27.632 1.00 44.25 H new ATOM 0 HZ PHE A 119 -10.565 -6.230 27.166 1.00 14.54 H new ATOM 1879 N LYS A 120 -11.294 -0.035 28.220 1.00 31.35 N ATOM 1880 CA LYS A 120 -9.987 0.148 28.784 1.00 33.31 C ATOM 1881 C LYS A 120 -10.075 0.730 30.183 1.00 44.44 C ATOM 1882 O LYS A 120 -9.258 0.446 31.058 1.00 52.01 O ATOM 1883 CB LYS A 120 -9.136 1.071 27.872 1.00 40.31 C ATOM 1884 CG LYS A 120 -7.691 1.254 28.355 1.00 4.10 C ATOM 1885 CD LYS A 120 -6.868 2.268 27.543 1.00 44.12 C ATOM 1886 CE LYS A 120 -5.452 2.439 28.101 1.00 30.42 C ATOM 1887 NZ LYS A 120 -4.838 3.679 27.591 1.00 45.54 N ATOM 0 H LYS A 120 -11.462 0.529 27.387 1.00 31.35 H new ATOM 0 HA LYS A 120 -9.505 -0.827 28.852 1.00 33.31 H new ATOM 0 HB2 LYS A 120 -9.123 0.658 26.863 1.00 40.31 H new ATOM 0 HB3 LYS A 120 -9.615 2.048 27.810 1.00 40.31 H new ATOM 0 HG2 LYS A 120 -7.708 1.571 29.398 1.00 4.10 H new ATOM 0 HG3 LYS A 120 -7.186 0.288 28.324 1.00 4.10 H new ATOM 0 HD2 LYS A 120 -6.811 1.940 26.505 1.00 44.12 H new ATOM 0 HD3 LYS A 120 -7.377 3.232 27.545 1.00 44.12 H new ATOM 0 HE2 LYS A 120 -5.485 2.465 29.190 1.00 30.42 H new ATOM 0 HE3 LYS A 120 -4.839 1.582 27.821 1.00 30.42 H new ATOM 0 HZ1 LYS A 120 -3.879 3.777 27.981 1.00 45.54 H new ATOM 0 HZ2 LYS A 120 -4.788 3.640 26.553 1.00 45.54 H new ATOM 0 HZ3 LYS A 120 -5.414 4.496 27.879 1.00 45.54 H new ATOM 1901 N ALA A 121 -11.108 1.567 30.414 1.00 41.12 N ATOM 1902 CA ALA A 121 -11.325 2.257 31.673 1.00 4.54 C ATOM 1903 C ALA A 121 -11.537 1.284 32.821 1.00 73.34 C ATOM 1904 O ALA A 121 -11.012 1.432 33.921 1.00 54.34 O ATOM 1905 CB ALA A 121 -12.553 3.185 31.563 1.00 62.42 C ATOM 0 H ALA A 121 -11.817 1.776 29.711 1.00 41.12 H new ATOM 0 HA ALA A 121 -10.430 2.843 31.881 1.00 4.54 H new ATOM 0 HB1 ALA A 121 -12.708 3.698 32.512 1.00 62.42 H new ATOM 0 HB2 ALA A 121 -12.384 3.920 30.776 1.00 62.42 H new ATOM 0 HB3 ALA A 121 -13.436 2.593 31.323 1.00 62.42 H new ATOM 1911 N GLU A 122 -12.333 0.235 32.551 1.00 15.22 N ATOM 1912 CA GLU A 122 -12.587 -0.860 33.446 1.00 3.50 C ATOM 1913 C GLU A 122 -11.380 -1.771 33.704 1.00 55.31 C ATOM 1914 O GLU A 122 -11.074 -2.035 34.858 1.00 31.45 O ATOM 1915 CB GLU A 122 -13.811 -1.621 32.887 1.00 53.43 C ATOM 1916 CG GLU A 122 -15.135 -0.804 32.955 1.00 0.14 C ATOM 1917 CD GLU A 122 -15.588 -0.464 34.377 1.00 33.54 C ATOM 1918 OE1 GLU A 122 -15.631 0.751 34.704 1.00 41.44 O ATOM 1919 OE2 GLU A 122 -15.913 -1.411 35.139 1.00 74.44 O ATOM 0 H GLU A 122 -12.827 0.142 31.663 1.00 15.22 H new ATOM 0 HA GLU A 122 -12.796 -0.465 34.440 1.00 3.50 H new ATOM 0 HB2 GLU A 122 -13.616 -1.896 31.850 1.00 53.43 H new ATOM 0 HB3 GLU A 122 -13.937 -2.549 33.444 1.00 53.43 H new ATOM 0 HG2 GLU A 122 -15.007 0.122 32.395 1.00 0.14 H new ATOM 0 HG3 GLU A 122 -15.924 -1.370 32.459 1.00 0.14 H new ATOM 1926 N ILE A 123 -10.585 -2.224 32.700 1.00 51.44 N ATOM 1927 CA ILE A 123 -9.354 -2.967 32.930 1.00 64.33 C ATOM 1928 C ILE A 123 -8.228 -2.182 33.577 1.00 55.41 C ATOM 1929 O ILE A 123 -7.341 -2.772 34.185 1.00 12.00 O ATOM 1930 CB ILE A 123 -8.879 -3.679 31.676 1.00 41.34 C ATOM 1931 CG1 ILE A 123 -8.569 -2.689 30.548 1.00 50.22 C ATOM 1932 CG2 ILE A 123 -9.945 -4.699 31.225 1.00 10.11 C ATOM 1933 CD1 ILE A 123 -8.008 -3.291 29.264 1.00 42.14 C ATOM 0 H ILE A 123 -10.795 -2.075 31.713 1.00 51.44 H new ATOM 0 HA ILE A 123 -9.634 -3.713 33.674 1.00 64.33 H new ATOM 0 HB ILE A 123 -7.953 -4.204 31.910 1.00 41.34 H new ATOM 0 HG12 ILE A 123 -9.484 -2.150 30.303 1.00 50.22 H new ATOM 0 HG13 ILE A 123 -7.857 -1.954 30.922 1.00 50.22 H new ATOM 0 HG21 ILE A 123 -9.603 -5.209 30.325 1.00 10.11 H new ATOM 0 HG22 ILE A 123 -10.107 -5.430 32.017 1.00 10.11 H new ATOM 0 HG23 ILE A 123 -10.880 -4.179 31.014 1.00 10.11 H new ATOM 0 HD11 ILE A 123 -7.828 -2.498 28.539 1.00 42.14 H new ATOM 0 HD12 ILE A 123 -7.071 -3.804 29.482 1.00 42.14 H new ATOM 0 HD13 ILE A 123 -8.724 -4.003 28.853 1.00 42.14 H new ATOM 1945 N HIS A 124 -8.264 -0.831 33.518 1.00 45.02 N ATOM 1946 CA HIS A 124 -7.408 0.047 34.301 1.00 63.04 C ATOM 1947 C HIS A 124 -7.639 -0.128 35.800 1.00 0.44 C ATOM 1948 O HIS A 124 -6.698 -0.108 36.589 1.00 42.53 O ATOM 1949 CB HIS A 124 -7.628 1.535 33.920 1.00 14.13 C ATOM 1950 CG HIS A 124 -6.727 2.508 34.630 1.00 52.01 C ATOM 1951 ND1 HIS A 124 -5.396 2.619 34.343 1.00 31.13 N ATOM 1952 CD2 HIS A 124 -6.987 3.371 35.637 1.00 65.31 C ATOM 1953 CE1 HIS A 124 -4.863 3.523 35.145 1.00 75.55 C ATOM 1954 NE2 HIS A 124 -5.806 3.994 35.939 1.00 1.05 N ATOM 0 H HIS A 124 -8.906 -0.325 32.908 1.00 45.02 H new ATOM 0 HA HIS A 124 -6.380 -0.234 34.070 1.00 63.04 H new ATOM 0 HB2 HIS A 124 -7.483 1.645 32.845 1.00 14.13 H new ATOM 0 HB3 HIS A 124 -8.664 1.800 34.131 1.00 14.13 H new ATOM 0 HD2 HIS A 124 -7.943 3.537 36.112 1.00 65.31 H new ATOM 0 HE1 HIS A 124 -3.827 3.827 35.150 1.00 75.55 H new ATOM 0 HE2 HIS A 124 -5.676 4.705 36.659 1.00 1.05 H new ATOM 1963 N LYS A 125 -8.920 -0.278 36.226 1.00 42.23 N ATOM 1964 CA LYS A 125 -9.306 -0.350 37.630 1.00 53.00 C ATOM 1965 C LYS A 125 -8.900 -1.663 38.303 1.00 65.42 C ATOM 1966 O LYS A 125 -8.714 -1.736 39.517 1.00 21.12 O ATOM 1967 CB LYS A 125 -10.841 -0.104 37.792 1.00 12.42 C ATOM 1968 CG LYS A 125 -11.759 -1.337 37.923 1.00 2.32 C ATOM 1969 CD LYS A 125 -13.258 -0.995 37.921 1.00 63.41 C ATOM 1970 CE LYS A 125 -14.131 -2.234 38.122 1.00 62.24 C ATOM 1971 NZ LYS A 125 -15.555 -1.877 37.979 1.00 13.41 N ATOM 0 H LYS A 125 -9.710 -0.352 35.585 1.00 42.23 H new ATOM 0 HA LYS A 125 -8.757 0.441 38.140 1.00 53.00 H new ATOM 0 HB2 LYS A 125 -10.989 0.518 38.675 1.00 12.42 H new ATOM 0 HB3 LYS A 125 -11.179 0.475 36.933 1.00 12.42 H new ATOM 0 HG2 LYS A 125 -11.551 -2.023 37.102 1.00 2.32 H new ATOM 0 HG3 LYS A 125 -11.517 -1.863 38.847 1.00 2.32 H new ATOM 0 HD2 LYS A 125 -13.466 -0.274 38.711 1.00 63.41 H new ATOM 0 HD3 LYS A 125 -13.519 -0.517 36.977 1.00 63.41 H new ATOM 0 HE2 LYS A 125 -13.864 -2.999 37.393 1.00 62.24 H new ATOM 0 HE3 LYS A 125 -13.952 -2.659 39.110 1.00 62.24 H new ATOM 0 HZ1 LYS A 125 -16.146 -2.658 38.329 1.00 13.41 H new ATOM 0 HZ2 LYS A 125 -15.755 -1.018 38.530 1.00 13.41 H new ATOM 0 HZ3 LYS A 125 -15.770 -1.702 36.977 1.00 13.41 H new ATOM 1985 N LEU A 126 -8.805 -2.743 37.497 1.00 43.53 N ATOM 1986 CA LEU A 126 -8.611 -4.123 37.898 1.00 73.43 C ATOM 1987 C LEU A 126 -7.240 -4.448 38.468 1.00 53.43 C ATOM 1988 O LEU A 126 -6.226 -3.819 38.184 1.00 63.21 O ATOM 1989 CB LEU A 126 -8.913 -5.083 36.714 1.00 72.31 C ATOM 1990 CG LEU A 126 -10.393 -5.052 36.265 1.00 61.13 C ATOM 1991 CD1 LEU A 126 -10.594 -5.658 34.871 1.00 0.32 C ATOM 1992 CD2 LEU A 126 -11.325 -5.743 37.271 1.00 43.55 C ATOM 0 H LEU A 126 -8.868 -2.650 36.483 1.00 43.53 H new ATOM 0 HA LEU A 126 -9.318 -4.271 38.715 1.00 73.43 H new ATOM 0 HB2 LEU A 126 -8.278 -4.817 35.869 1.00 72.31 H new ATOM 0 HB3 LEU A 126 -8.649 -6.100 37.003 1.00 72.31 H new ATOM 0 HG LEU A 126 -10.660 -3.996 36.221 1.00 61.13 H new ATOM 0 HD11 LEU A 126 -11.650 -5.612 34.603 1.00 0.32 H new ATOM 0 HD12 LEU A 126 -10.010 -5.096 34.142 1.00 0.32 H new ATOM 0 HD13 LEU A 126 -10.266 -6.697 34.875 1.00 0.32 H new ATOM 0 HD21 LEU A 126 -12.352 -5.694 36.909 1.00 43.55 H new ATOM 0 HD22 LEU A 126 -11.030 -6.786 37.383 1.00 43.55 H new ATOM 0 HD23 LEU A 126 -11.256 -5.240 38.236 1.00 43.55 H new ATOM 2004 N ASP A 127 -7.204 -5.494 39.326 1.00 11.31 N ATOM 2005 CA ASP A 127 -6.016 -5.946 40.026 1.00 15.42 C ATOM 2006 C ASP A 127 -5.195 -6.920 39.174 1.00 61.31 C ATOM 2007 O ASP A 127 -4.154 -7.405 39.609 1.00 73.54 O ATOM 2008 CB ASP A 127 -6.455 -6.581 41.381 1.00 43.52 C ATOM 2009 CG ASP A 127 -5.293 -6.859 42.337 1.00 13.33 C ATOM 2010 OD1 ASP A 127 -5.135 -8.041 42.736 1.00 34.04 O ATOM 2011 OD2 ASP A 127 -4.591 -5.881 42.702 1.00 43.45 O ATOM 0 H ASP A 127 -8.031 -6.050 39.545 1.00 11.31 H new ATOM 0 HA ASP A 127 -5.361 -5.097 40.223 1.00 15.42 H new ATOM 0 HB2 ASP A 127 -7.165 -5.915 41.871 1.00 43.52 H new ATOM 0 HB3 ASP A 127 -6.980 -7.515 41.181 1.00 43.52 H new ATOM 2016 N TRP A 128 -5.644 -7.221 37.938 1.00 12.05 N ATOM 2017 CA TRP A 128 -4.925 -8.064 37.003 1.00 21.32 C ATOM 2018 C TRP A 128 -4.898 -7.316 35.685 1.00 24.50 C ATOM 2019 O TRP A 128 -5.760 -6.475 35.431 1.00 13.25 O ATOM 2020 CB TRP A 128 -5.582 -9.469 36.811 1.00 22.42 C ATOM 2021 CG TRP A 128 -6.968 -9.418 36.194 1.00 40.15 C ATOM 2022 CD1 TRP A 128 -8.105 -8.939 36.769 1.00 43.01 C ATOM 2023 CD2 TRP A 128 -7.279 -9.678 34.815 1.00 2.10 C ATOM 2024 NE1 TRP A 128 -9.098 -8.811 35.824 1.00 5.02 N ATOM 2025 CE2 TRP A 128 -8.611 -9.258 34.613 1.00 73.22 C ATOM 2026 CE3 TRP A 128 -6.518 -10.193 33.768 1.00 11.01 C ATOM 2027 CZ2 TRP A 128 -9.198 -9.328 33.355 1.00 45.32 C ATOM 2028 CZ3 TRP A 128 -7.123 -10.299 32.508 1.00 51.30 C ATOM 2029 CH2 TRP A 128 -8.438 -9.856 32.299 1.00 5.01 C ATOM 0 H TRP A 128 -6.530 -6.873 37.571 1.00 12.05 H new ATOM 0 HA TRP A 128 -3.925 -8.260 37.390 1.00 21.32 H new ATOM 0 HB2 TRP A 128 -4.936 -10.079 36.180 1.00 22.42 H new ATOM 0 HB3 TRP A 128 -5.643 -9.966 37.779 1.00 22.42 H new ATOM 0 HD1 TRP A 128 -8.213 -8.695 37.815 1.00 43.01 H new ATOM 0 HE1 TRP A 128 -10.036 -8.447 35.991 1.00 5.02 H new ATOM 0 HE3 TRP A 128 -5.494 -10.501 33.922 1.00 11.01 H new ATOM 0 HZ2 TRP A 128 -10.210 -8.986 33.194 1.00 45.32 H new ATOM 0 HZ3 TRP A 128 -6.569 -10.728 31.686 1.00 51.30 H new ATOM 0 HH2 TRP A 128 -8.872 -9.922 31.312 1.00 5.01 H new ATOM 2040 N ALA A 129 -3.905 -7.598 34.817 1.00 21.41 N ATOM 2041 CA ALA A 129 -3.785 -6.934 33.540 1.00 22.15 C ATOM 2042 C ALA A 129 -3.971 -7.927 32.398 1.00 54.31 C ATOM 2043 O ALA A 129 -3.186 -8.874 32.313 1.00 31.42 O ATOM 2044 CB ALA A 129 -2.406 -6.264 33.414 1.00 13.13 C ATOM 0 H ALA A 129 -3.178 -8.290 34.997 1.00 21.41 H new ATOM 0 HA ALA A 129 -4.563 -6.173 33.480 1.00 22.15 H new ATOM 0 HB1 ALA A 129 -2.330 -5.768 32.447 1.00 13.13 H new ATOM 0 HB2 ALA A 129 -2.285 -5.529 34.210 1.00 13.13 H new ATOM 0 HB3 ALA A 129 -1.625 -7.020 33.496 1.00 13.13 H new ATOM 2050 N PRO A 130 -4.939 -7.798 31.486 1.00 3.23 N ATOM 2051 CA PRO A 130 -4.860 -8.423 30.166 1.00 50.33 C ATOM 2052 C PRO A 130 -3.787 -7.722 29.347 1.00 22.14 C ATOM 2053 O PRO A 130 -3.522 -6.537 29.546 1.00 1.11 O ATOM 2054 CB PRO A 130 -6.261 -8.195 29.582 1.00 13.32 C ATOM 2055 CG PRO A 130 -6.740 -6.895 30.233 1.00 73.43 C ATOM 2056 CD PRO A 130 -6.132 -6.954 31.632 1.00 51.35 C ATOM 0 HA PRO A 130 -4.594 -9.480 30.183 1.00 50.33 H new ATOM 0 HB2 PRO A 130 -6.229 -8.107 28.496 1.00 13.32 H new ATOM 0 HB3 PRO A 130 -6.928 -9.025 29.815 1.00 13.32 H new ATOM 0 HG2 PRO A 130 -6.396 -6.020 29.682 1.00 73.43 H new ATOM 0 HG3 PRO A 130 -7.828 -6.841 30.270 1.00 73.43 H new ATOM 0 HD2 PRO A 130 -5.871 -5.959 31.992 1.00 51.35 H new ATOM 0 HD3 PRO A 130 -6.833 -7.380 32.350 1.00 51.35 H new ATOM 2064 N THR A 131 -3.144 -8.446 28.412 1.00 60.22 N ATOM 2065 CA THR A 131 -2.164 -7.881 27.502 1.00 42.25 C ATOM 2066 C THR A 131 -2.938 -7.365 26.307 1.00 33.43 C ATOM 2067 O THR A 131 -4.105 -7.710 26.120 1.00 33.24 O ATOM 2068 CB THR A 131 -1.084 -8.873 27.047 1.00 62.04 C ATOM 2069 OG1 THR A 131 -1.524 -9.865 26.124 1.00 14.15 O ATOM 2070 CG2 THR A 131 -0.623 -9.660 28.284 1.00 42.34 C ATOM 0 H THR A 131 -3.300 -9.445 28.276 1.00 60.22 H new ATOM 0 HA THR A 131 -1.617 -7.094 28.022 1.00 42.25 H new ATOM 0 HB THR A 131 -0.319 -8.269 26.560 1.00 62.04 H new ATOM 0 HG1 THR A 131 -0.773 -10.449 25.889 1.00 14.15 H new ATOM 0 HG21 THR A 131 0.146 -10.376 27.994 1.00 42.34 H new ATOM 0 HG22 THR A 131 -0.217 -8.970 29.024 1.00 42.34 H new ATOM 0 HG23 THR A 131 -1.471 -10.193 28.713 1.00 42.34 H new ATOM 2078 N LEU A 132 -2.328 -6.546 25.427 1.00 62.15 N ATOM 2079 CA LEU A 132 -3.025 -6.049 24.253 1.00 4.50 C ATOM 2080 C LEU A 132 -3.408 -7.124 23.249 1.00 0.13 C ATOM 2081 O LEU A 132 -4.346 -6.933 22.489 1.00 33.43 O ATOM 2082 CB LEU A 132 -2.275 -4.886 23.540 1.00 65.14 C ATOM 2083 CG LEU A 132 -2.230 -3.544 24.326 1.00 20.22 C ATOM 2084 CD1 LEU A 132 -3.619 -3.114 24.836 1.00 40.41 C ATOM 2085 CD2 LEU A 132 -1.199 -3.483 25.467 1.00 52.13 C ATOM 0 H LEU A 132 -1.364 -6.225 25.517 1.00 62.15 H new ATOM 0 HA LEU A 132 -3.955 -5.653 24.660 1.00 4.50 H new ATOM 0 HB2 LEU A 132 -1.252 -5.205 23.338 1.00 65.14 H new ATOM 0 HB3 LEU A 132 -2.749 -4.707 22.575 1.00 65.14 H new ATOM 0 HG LEU A 132 -1.887 -2.828 23.579 1.00 20.22 H new ATOM 0 HD11 LEU A 132 -3.532 -2.172 25.378 1.00 40.41 H new ATOM 0 HD12 LEU A 132 -4.294 -2.985 23.990 1.00 40.41 H new ATOM 0 HD13 LEU A 132 -4.015 -3.880 25.502 1.00 40.41 H new ATOM 0 HD21 LEU A 132 -1.248 -2.507 25.950 1.00 52.13 H new ATOM 0 HD22 LEU A 132 -1.419 -4.261 26.198 1.00 52.13 H new ATOM 0 HD23 LEU A 132 -0.199 -3.637 25.062 1.00 52.13 H new ATOM 2097 N ASP A 133 -2.756 -8.311 23.250 1.00 75.11 N ATOM 2098 CA ASP A 133 -3.206 -9.446 22.452 1.00 62.21 C ATOM 2099 C ASP A 133 -4.611 -9.914 22.854 1.00 42.31 C ATOM 2100 O ASP A 133 -5.431 -10.236 22.004 1.00 24.34 O ATOM 2101 CB ASP A 133 -2.238 -10.650 22.593 1.00 60.12 C ATOM 2102 CG ASP A 133 -0.881 -10.328 21.984 1.00 73.24 C ATOM 2103 OD1 ASP A 133 -0.829 -10.023 20.766 1.00 12.35 O ATOM 2104 OD2 ASP A 133 0.118 -10.374 22.750 1.00 64.53 O ATOM 0 H ASP A 133 -1.917 -8.494 23.800 1.00 75.11 H new ATOM 0 HA ASP A 133 -3.225 -9.098 21.419 1.00 62.21 H new ATOM 0 HB2 ASP A 133 -2.118 -10.904 23.646 1.00 60.12 H new ATOM 0 HB3 ASP A 133 -2.664 -11.524 22.101 1.00 60.12 H new ATOM 2109 N VAL A 134 -4.903 -9.945 24.169 1.00 43.14 N ATOM 2110 CA VAL A 134 -6.114 -10.485 24.777 1.00 63.02 C ATOM 2111 C VAL A 134 -7.148 -9.429 25.072 1.00 45.00 C ATOM 2112 O VAL A 134 -8.322 -9.630 24.760 1.00 25.31 O ATOM 2113 CB VAL A 134 -5.843 -11.377 25.981 1.00 62.25 C ATOM 2114 CG1 VAL A 134 -4.727 -10.843 26.855 1.00 52.21 C ATOM 2115 CG2 VAL A 134 -7.102 -11.748 26.795 1.00 54.10 C ATOM 0 H VAL A 134 -4.259 -9.571 24.866 1.00 43.14 H new ATOM 0 HA VAL A 134 -6.545 -11.134 24.015 1.00 63.02 H new ATOM 0 HB VAL A 134 -5.497 -12.320 25.558 1.00 62.25 H new ATOM 0 HG11 VAL A 134 -4.573 -11.515 27.699 1.00 52.21 H new ATOM 0 HG12 VAL A 134 -3.808 -10.776 26.272 1.00 52.21 H new ATOM 0 HG13 VAL A 134 -4.995 -9.853 27.223 1.00 52.21 H new ATOM 0 HG21 VAL A 134 -6.819 -12.384 27.633 1.00 54.10 H new ATOM 0 HG22 VAL A 134 -7.573 -10.840 27.172 1.00 54.10 H new ATOM 0 HG23 VAL A 134 -7.805 -12.282 26.155 1.00 54.10 H new ATOM 2125 N ALA A 135 -6.757 -8.255 25.633 1.00 22.13 N ATOM 2126 CA ALA A 135 -7.700 -7.198 25.958 1.00 50.04 C ATOM 2127 C ALA A 135 -8.391 -6.652 24.735 1.00 74.35 C ATOM 2128 O ALA A 135 -9.614 -6.556 24.686 1.00 4.03 O ATOM 2129 CB ALA A 135 -7.020 -6.024 26.698 1.00 32.41 C ATOM 0 H ALA A 135 -5.788 -8.034 25.863 1.00 22.13 H new ATOM 0 HA ALA A 135 -8.440 -7.661 26.611 1.00 50.04 H new ATOM 0 HB1 ALA A 135 -7.761 -5.257 26.922 1.00 32.41 H new ATOM 0 HB2 ALA A 135 -6.580 -6.386 27.628 1.00 32.41 H new ATOM 0 HB3 ALA A 135 -6.238 -5.601 26.068 1.00 32.41 H new ATOM 2135 N VAL A 136 -7.617 -6.343 23.672 1.00 60.02 N ATOM 2136 CA VAL A 136 -8.220 -5.919 22.429 1.00 71.43 C ATOM 2137 C VAL A 136 -8.761 -7.113 21.711 1.00 13.55 C ATOM 2138 O VAL A 136 -9.765 -7.025 21.016 1.00 14.53 O ATOM 2139 CB VAL A 136 -7.319 -5.126 21.488 1.00 34.22 C ATOM 2140 CG1 VAL A 136 -6.382 -4.239 22.325 1.00 64.11 C ATOM 2141 CG2 VAL A 136 -6.608 -5.892 20.351 1.00 44.33 C ATOM 0 H VAL A 136 -6.598 -6.383 23.666 1.00 60.02 H new ATOM 0 HA VAL A 136 -9.007 -5.222 22.718 1.00 71.43 H new ATOM 0 HB VAL A 136 -7.991 -4.509 20.891 1.00 34.22 H new ATOM 0 HG11 VAL A 136 -5.733 -3.667 21.661 1.00 64.11 H new ATOM 0 HG12 VAL A 136 -6.975 -3.554 22.931 1.00 64.11 H new ATOM 0 HG13 VAL A 136 -5.773 -4.866 22.976 1.00 64.11 H new ATOM 0 HG21 VAL A 136 -6.004 -5.198 19.767 1.00 44.33 H new ATOM 0 HG22 VAL A 136 -5.965 -6.662 20.778 1.00 44.33 H new ATOM 0 HG23 VAL A 136 -7.352 -6.358 19.705 1.00 44.33 H new ATOM 2151 N GLY A 137 -8.094 -8.281 21.848 1.00 22.11 N ATOM 2152 CA GLY A 137 -8.449 -9.450 21.065 1.00 32.20 C ATOM 2153 C GLY A 137 -9.845 -9.941 21.312 1.00 2.13 C ATOM 2154 O GLY A 137 -10.543 -10.284 20.365 1.00 43.24 O ATOM 0 H GLY A 137 -7.316 -8.423 22.492 1.00 22.11 H new ATOM 0 HA2 GLY A 137 -8.338 -9.215 20.007 1.00 32.20 H new ATOM 0 HA3 GLY A 137 -7.746 -10.253 21.288 1.00 32.20 H new ATOM 2158 N GLU A 138 -10.317 -9.955 22.584 1.00 73.21 N ATOM 2159 CA GLU A 138 -11.701 -10.294 22.876 1.00 32.02 C ATOM 2160 C GLU A 138 -12.713 -9.304 22.303 1.00 5.00 C ATOM 2161 O GLU A 138 -13.770 -9.705 21.818 1.00 30.23 O ATOM 2162 CB GLU A 138 -11.987 -10.470 24.387 1.00 12.12 C ATOM 2163 CG GLU A 138 -11.106 -11.591 24.976 1.00 22.04 C ATOM 2164 CD GLU A 138 -11.729 -12.248 26.199 1.00 34.04 C ATOM 2165 OE1 GLU A 138 -11.171 -12.084 27.309 1.00 70.33 O ATOM 2166 OE2 GLU A 138 -12.720 -12.994 25.997 1.00 4.43 O ATOM 0 H GLU A 138 -9.753 -9.735 23.405 1.00 73.21 H new ATOM 0 HA GLU A 138 -11.831 -11.254 22.376 1.00 32.02 H new ATOM 0 HB2 GLU A 138 -11.794 -9.534 24.911 1.00 12.12 H new ATOM 0 HB3 GLU A 138 -13.040 -10.709 24.539 1.00 12.12 H new ATOM 0 HG2 GLU A 138 -10.930 -12.348 24.212 1.00 22.04 H new ATOM 0 HG3 GLU A 138 -10.134 -11.179 25.246 1.00 22.04 H new ATOM 2173 N LEU A 139 -12.397 -7.984 22.323 1.00 52.04 N ATOM 2174 CA LEU A 139 -13.191 -6.932 21.716 1.00 44.20 C ATOM 2175 C LEU A 139 -13.286 -7.064 20.248 1.00 32.41 C ATOM 2176 O LEU A 139 -14.365 -7.020 19.661 1.00 4.34 O ATOM 2177 CB LEU A 139 -12.551 -5.532 21.850 1.00 73.55 C ATOM 2178 CG LEU A 139 -12.654 -4.886 23.207 1.00 61.52 C ATOM 2179 CD1 LEU A 139 -11.777 -3.624 23.241 1.00 12.43 C ATOM 2180 CD2 LEU A 139 -14.122 -4.501 23.388 1.00 21.21 C ATOM 0 H LEU A 139 -11.555 -7.632 22.779 1.00 52.04 H new ATOM 0 HA LEU A 139 -14.144 -7.029 22.236 1.00 44.20 H new ATOM 0 HB2 LEU A 139 -11.496 -5.610 21.586 1.00 73.55 H new ATOM 0 HB3 LEU A 139 -13.015 -4.871 21.118 1.00 73.55 H new ATOM 0 HG LEU A 139 -12.319 -5.557 23.998 1.00 61.52 H new ATOM 0 HD11 LEU A 139 -11.851 -3.156 24.223 1.00 12.43 H new ATOM 0 HD12 LEU A 139 -10.740 -3.896 23.046 1.00 12.43 H new ATOM 0 HD13 LEU A 139 -12.118 -2.924 22.478 1.00 12.43 H new ATOM 0 HD21 LEU A 139 -14.256 -4.026 24.360 1.00 21.21 H new ATOM 0 HD22 LEU A 139 -14.416 -3.807 22.601 1.00 21.21 H new ATOM 0 HD23 LEU A 139 -14.742 -5.396 23.333 1.00 21.21 H new ATOM 2192 N LEU A 140 -12.102 -7.219 19.633 1.00 23.55 N ATOM 2193 CA LEU A 140 -12.026 -7.294 18.208 1.00 12.12 C ATOM 2194 C LEU A 140 -12.657 -8.577 17.688 1.00 44.22 C ATOM 2195 O LEU A 140 -13.428 -8.563 16.733 1.00 2.44 O ATOM 2196 CB LEU A 140 -10.573 -7.144 17.694 1.00 33.01 C ATOM 2197 CG LEU A 140 -9.899 -5.768 17.934 1.00 30.23 C ATOM 2198 CD1 LEU A 140 -8.619 -5.653 17.085 1.00 63.01 C ATOM 2199 CD2 LEU A 140 -10.802 -4.529 17.817 1.00 62.21 C ATOM 0 H LEU A 140 -11.206 -7.292 20.115 1.00 23.55 H new ATOM 0 HA LEU A 140 -12.597 -6.452 17.816 1.00 12.12 H new ATOM 0 HB2 LEU A 140 -9.961 -7.912 18.167 1.00 33.01 H new ATOM 0 HB3 LEU A 140 -10.566 -7.346 16.623 1.00 33.01 H new ATOM 0 HG LEU A 140 -9.641 -5.759 18.993 1.00 30.23 H new ATOM 0 HD11 LEU A 140 -8.152 -4.684 17.260 1.00 63.01 H new ATOM 0 HD12 LEU A 140 -7.925 -6.446 17.364 1.00 63.01 H new ATOM 0 HD13 LEU A 140 -8.873 -5.748 16.029 1.00 63.01 H new ATOM 0 HD21 LEU A 140 -10.214 -3.631 18.006 1.00 62.21 H new ATOM 0 HD22 LEU A 140 -11.225 -4.481 16.814 1.00 62.21 H new ATOM 0 HD23 LEU A 140 -11.608 -4.596 18.548 1.00 62.21 H new ATOM 2211 N ALA A 141 -12.414 -9.724 18.361 1.00 3.12 N ATOM 2212 CA ALA A 141 -13.053 -10.974 18.029 1.00 62.42 C ATOM 2213 C ALA A 141 -14.567 -10.951 18.176 1.00 14.12 C ATOM 2214 O ALA A 141 -15.263 -11.586 17.394 1.00 75.30 O ATOM 2215 CB ALA A 141 -12.489 -12.123 18.887 1.00 23.21 C ATOM 0 H ALA A 141 -11.766 -9.787 19.146 1.00 3.12 H new ATOM 0 HA ALA A 141 -12.831 -11.136 16.974 1.00 62.42 H new ATOM 0 HB1 ALA A 141 -12.986 -13.055 18.619 1.00 23.21 H new ATOM 0 HB2 ALA A 141 -11.418 -12.218 18.709 1.00 23.21 H new ATOM 0 HB3 ALA A 141 -12.664 -11.909 19.941 1.00 23.21 H new ATOM 2221 N ASP A 142 -15.124 -10.248 19.183 1.00 74.22 N ATOM 2222 CA ASP A 142 -16.557 -10.171 19.380 1.00 25.23 C ATOM 2223 C ASP A 142 -17.185 -8.948 18.697 1.00 23.31 C ATOM 2224 O ASP A 142 -18.289 -8.553 19.063 1.00 42.30 O ATOM 2225 CB ASP A 142 -16.844 -10.186 20.912 1.00 40.03 C ATOM 2226 CG ASP A 142 -18.303 -10.470 21.265 1.00 1.55 C ATOM 2227 OD1 ASP A 142 -18.902 -9.659 22.024 1.00 62.14 O ATOM 2228 OD2 ASP A 142 -18.816 -11.528 20.817 1.00 61.34 O ATOM 0 H ASP A 142 -14.582 -9.725 19.871 1.00 74.22 H new ATOM 0 HA ASP A 142 -17.023 -11.035 18.907 1.00 25.23 H new ATOM 0 HB2 ASP A 142 -16.213 -10.940 21.383 1.00 40.03 H new ATOM 0 HB3 ASP A 142 -16.559 -9.223 21.335 1.00 40.03 H new ATOM 2233 N THR A 143 -16.543 -8.288 17.697 1.00 73.33 N ATOM 2234 CA THR A 143 -17.192 -7.128 17.058 1.00 32.44 C ATOM 2235 C THR A 143 -18.477 -7.495 16.256 1.00 20.22 C ATOM 2236 O THR A 143 -18.483 -8.557 15.567 1.00 0.00 O ATOM 2237 CB THR A 143 -16.276 -6.282 16.163 1.00 43.22 C ATOM 2238 OG1 THR A 143 -16.896 -5.040 15.860 1.00 2.40 O ATOM 2239 CG2 THR A 143 -15.928 -6.953 14.830 1.00 35.43 C ATOM 2240 OXT THR A 143 -19.474 -6.729 16.351 1.00 0.00 O ATOM 0 H THR A 143 -15.621 -8.529 17.334 1.00 73.33 H new ATOM 0 HA THR A 143 -17.467 -6.518 17.919 1.00 32.44 H new ATOM 0 HB THR A 143 -15.356 -6.151 16.733 1.00 43.22 H new ATOM 0 HG1 THR A 143 -16.302 -4.508 15.290 1.00 2.40 H new ATOM 0 HG21 THR A 143 -15.278 -6.297 14.251 1.00 35.43 H new ATOM 0 HG22 THR A 143 -15.415 -7.896 15.020 1.00 35.43 H new ATOM 0 HG23 THR A 143 -16.843 -7.144 14.269 1.00 35.43 H new TER 2248 THR A 143