USER MOD reduce.3.24.130724 H: found=0, std=0, add=1419, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1415 hydrogens (21 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 48 HIS : no HE2:sc= -0.417 K(o=0.17,f=-3.2!) USER MOD Set 1.2: A 169 ASN : amide:sc= 0.588 K(o=0.17,f=-0.38) USER MOD Set 2.1: A 120 THR OG1 : rot -62:sc= 1.83 USER MOD Set 2.2: A 134 SER OG : rot 12:sc= 1.47 USER MOD Set 3.1: A 92 HIS : no HE2:sc= -0.247 K(o=-1.5,f=-7!) USER MOD Set 3.2: A 94 MET CE :methyl -131:sc= -0.802 (180deg=-1.57) USER MOD Set 3.3: A 121 GLN : amide:sc= -0.497 K(o=-1.5,f=-6.4!) USER MOD Set 4.1: A 43 SER OG : rot -19:sc= 0.196 USER MOD Set 4.2: A 63 TYR OH : rot 177:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.0098) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 79:sc= 1.03 USER MOD Single : A 13 MET CE :methyl 140:sc= -0.0287 (180deg=-0.262) USER MOD Single : A 18 GLN : amide:sc= 0.833 K(o=0.83,f=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -126:sc= 0.569 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= 0.819 K(o=0.82,f=-2.6!) USER MOD Single : A 33 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.9!) USER MOD Single : A 35 GLN : amide:sc= 0.868 K(o=0.87,f=-0.61) USER MOD Single : A 36 GLN : amide:sc=-1.59e-05 K(o=-1.6e-05,f=-0.65) USER MOD Single : A 39 TYR OH : rot 166:sc= -0.172 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -15:sc= -0.105 USER MOD Single : A 45 CYS SG : rot 16:sc= 0.0772 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 0.608 (180deg=0.187) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -151:sc= 1.77 USER MOD Single : A 62 ASN : amide:sc= 1.06 K(o=1.1,f=-0.28) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -170:sc= -0.0747 USER MOD Single : A 72 GLN : amide:sc= -0.149 K(o=-0.15,f=-0.67) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc=-0.00321 X(o=-0.0032,f=-0.17) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-3!) USER MOD Single : A 101 SER OG : rot -22:sc= 0.068 USER MOD Single : A 104 GLN : amide:sc= 0.958 K(o=0.96,f=-0.055) USER MOD Single : A 113 HIS : no HE2:sc= 0.644 K(o=0.64,f=-3.8!) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl 174:sc= -0.525 (180deg=-0.576) USER MOD Single : A 136 SER OG : rot -103:sc= 1.17 USER MOD Single : A 138 CYS SG : rot -28:sc= 1.09 USER MOD Single : A 139 SER OG : rot 180:sc= -0.0847 USER MOD Single : A 147 SER OG : rot 71:sc= 0.534 USER MOD Single : A 151 GLN : amide:sc= 0.793 K(o=0.79,f=-0.32) USER MOD Single : A 153 LYS NZ :NH3+ -162:sc=0.000275 (180deg=0) USER MOD Single : A 154 MET CE :methyl -156:sc= -0.0293 (180deg=-0.588) USER MOD Single : A 155 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.049) USER MOD Single : A 161 SER OG : rot -75:sc= 0.0896 USER MOD Single : A 163 MET CE :methyl -151:sc= -0.442 (180deg=-3.95!) USER MOD Single : A 166 MET CE :methyl -163:sc= -0.144 (180deg=-0.561) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.738 29.908 8.691 1.00 6.77 N ATOM 2 CA MET A 1 5.504 29.517 10.107 1.00 5.85 C ATOM 3 C MET A 1 4.757 28.175 10.161 1.00 5.40 C ATOM 4 O MET A 1 5.378 27.155 9.868 1.00 6.09 O ATOM 5 CB MET A 1 4.836 30.640 10.930 1.00 6.37 C ATOM 6 CG MET A 1 5.735 31.868 11.128 1.00 7.05 C ATOM 7 SD MET A 1 5.004 33.136 12.201 1.00 8.03 S ATOM 8 CE MET A 1 6.394 34.295 12.299 1.00 8.99 C ATOM 0 H1 MET A 1 6.302 30.781 8.661 1.00 6.77 H new ATOM 0 H2 MET A 1 6.251 29.147 8.201 1.00 6.77 H new ATOM 0 H3 MET A 1 4.825 30.069 8.220 1.00 6.77 H new ATOM 0 HA MET A 1 6.468 29.369 10.593 1.00 5.85 H new ATOM 0 HB2 MET A 1 3.917 30.948 10.431 1.00 6.37 H new ATOM 0 HB3 MET A 1 4.552 30.246 11.906 1.00 6.37 H new ATOM 0 HG2 MET A 1 6.686 31.547 11.554 1.00 7.05 H new ATOM 0 HG3 MET A 1 5.954 32.309 10.155 1.00 7.05 H new ATOM 0 HE1 MET A 1 6.117 35.143 12.926 1.00 8.99 H new ATOM 0 HE2 MET A 1 7.258 33.791 12.732 1.00 8.99 H new ATOM 0 HE3 MET A 1 6.644 34.649 11.299 1.00 8.99 H new ATOM 20 N SER A 2 3.457 28.140 10.496 1.00 4.90 N ATOM 21 CA SER A 2 2.571 26.950 10.400 1.00 4.92 C ATOM 22 C SER A 2 2.859 25.899 11.501 1.00 3.71 C ATOM 23 O SER A 2 2.961 24.697 11.250 1.00 4.46 O ATOM 24 CB SER A 2 2.578 26.343 8.980 1.00 6.23 C ATOM 25 OG SER A 2 2.364 27.342 7.983 1.00 7.51 O ATOM 0 H SER A 2 2.970 28.962 10.854 1.00 4.90 H new ATOM 0 HA SER A 2 1.556 27.300 10.586 1.00 4.92 H new ATOM 0 HB2 SER A 2 3.531 25.846 8.800 1.00 6.23 H new ATOM 0 HB3 SER A 2 1.802 25.581 8.905 1.00 6.23 H new ATOM 0 HG SER A 2 2.376 26.926 7.096 1.00 7.51 H new ATOM 31 N ASP A 3 3.034 26.361 12.744 1.00 2.58 N ATOM 32 CA ASP A 3 3.774 25.665 13.815 1.00 2.25 C ATOM 33 C ASP A 3 3.065 24.432 14.423 1.00 2.25 C ATOM 34 O ASP A 3 3.694 23.638 15.125 1.00 3.42 O ATOM 35 CB ASP A 3 4.107 26.685 14.921 1.00 2.98 C ATOM 36 CG ASP A 3 4.637 28.018 14.364 1.00 3.35 C ATOM 37 OD1 ASP A 3 5.865 28.146 14.145 1.00 4.23 O ATOM 38 OD2 ASP A 3 3.805 28.924 14.115 1.00 3.97 O ATOM 0 H ASP A 3 2.654 27.258 13.047 1.00 2.58 H new ATOM 0 HA ASP A 3 4.672 25.259 13.350 1.00 2.25 H new ATOM 0 HB2 ASP A 3 3.213 26.875 15.515 1.00 2.98 H new ATOM 0 HB3 ASP A 3 4.851 26.256 15.593 1.00 2.98 H new ATOM 43 N LYS A 4 1.768 24.260 14.144 1.00 1.82 N ATOM 44 CA LYS A 4 0.929 23.109 14.525 1.00 1.68 C ATOM 45 C LYS A 4 0.158 22.540 13.312 1.00 1.58 C ATOM 46 O LYS A 4 -0.725 21.696 13.470 1.00 1.58 O ATOM 47 CB LYS A 4 -0.015 23.534 15.678 1.00 1.87 C ATOM 48 CG LYS A 4 0.708 23.577 17.036 1.00 2.58 C ATOM 49 CD LYS A 4 -0.170 24.188 18.138 1.00 2.74 C ATOM 50 CE LYS A 4 0.579 24.149 19.480 1.00 4.05 C ATOM 51 NZ LYS A 4 -0.087 24.979 20.518 1.00 4.55 N ATOM 0 H LYS A 4 1.242 24.957 13.617 1.00 1.82 H new ATOM 0 HA LYS A 4 1.566 22.298 14.878 1.00 1.68 H new ATOM 0 HB2 LYS A 4 -0.433 24.517 15.460 1.00 1.87 H new ATOM 0 HB3 LYS A 4 -0.852 22.838 15.736 1.00 1.87 H new ATOM 0 HG2 LYS A 4 0.999 22.567 17.323 1.00 2.58 H new ATOM 0 HG3 LYS A 4 1.625 24.158 16.940 1.00 2.58 H new ATOM 0 HD2 LYS A 4 -0.426 25.216 17.884 1.00 2.74 H new ATOM 0 HD3 LYS A 4 -1.107 23.636 18.217 1.00 2.74 H new ATOM 0 HE2 LYS A 4 0.644 23.118 19.828 1.00 4.05 H new ATOM 0 HE3 LYS A 4 1.600 24.502 19.335 1.00 4.05 H new ATOM 0 HZ1 LYS A 4 0.452 24.923 21.406 1.00 4.55 H new ATOM 0 HZ2 LYS A 4 -0.127 25.968 20.199 1.00 4.55 H new ATOM 0 HZ3 LYS A 4 -1.053 24.627 20.677 1.00 4.55 H new ATOM 65 N ASP A 5 0.468 22.976 12.086 1.00 1.59 N ATOM 66 CA ASP A 5 -0.290 22.623 10.878 1.00 1.58 C ATOM 67 C ASP A 5 -0.101 21.158 10.454 1.00 1.33 C ATOM 68 O ASP A 5 -1.055 20.527 10.007 1.00 1.21 O ATOM 69 CB ASP A 5 0.110 23.571 9.744 1.00 1.90 C ATOM 70 CG ASP A 5 -0.742 23.353 8.483 1.00 2.63 C ATOM 71 OD1 ASP A 5 -1.930 23.756 8.488 1.00 3.56 O ATOM 72 OD2 ASP A 5 -0.213 22.805 7.487 1.00 2.94 O ATOM 0 H ASP A 5 1.261 23.591 11.901 1.00 1.59 H new ATOM 0 HA ASP A 5 -1.350 22.734 11.107 1.00 1.58 H new ATOM 0 HB2 ASP A 5 0.004 24.603 10.079 1.00 1.90 H new ATOM 0 HB3 ASP A 5 1.162 23.422 9.501 1.00 1.90 H new ATOM 77 N PHE A 6 1.095 20.590 10.658 1.00 1.30 N ATOM 78 CA PHE A 6 1.356 19.158 10.444 1.00 1.16 C ATOM 79 C PHE A 6 0.540 18.291 11.418 1.00 1.05 C ATOM 80 O PHE A 6 -0.052 17.291 11.013 1.00 0.94 O ATOM 81 CB PHE A 6 2.869 18.896 10.571 1.00 1.25 C ATOM 82 CG PHE A 6 3.238 17.455 10.888 1.00 1.53 C ATOM 83 CD1 PHE A 6 3.186 16.461 9.892 1.00 2.64 C ATOM 84 CD2 PHE A 6 3.597 17.103 12.205 1.00 1.98 C ATOM 85 CE1 PHE A 6 3.497 15.126 10.210 1.00 3.44 C ATOM 86 CE2 PHE A 6 3.901 15.769 12.524 1.00 2.74 C ATOM 87 CZ PHE A 6 3.856 14.779 11.526 1.00 3.29 C ATOM 0 H PHE A 6 1.912 21.111 10.977 1.00 1.30 H new ATOM 0 HA PHE A 6 1.036 18.879 9.440 1.00 1.16 H new ATOM 0 HB2 PHE A 6 3.354 19.185 9.638 1.00 1.25 H new ATOM 0 HB3 PHE A 6 3.272 19.541 11.352 1.00 1.25 H new ATOM 0 HD1 PHE A 6 2.907 16.724 8.882 1.00 2.64 H new ATOM 0 HD2 PHE A 6 3.639 17.862 12.972 1.00 1.98 H new ATOM 0 HE1 PHE A 6 3.460 14.366 9.443 1.00 3.44 H new ATOM 0 HE2 PHE A 6 4.169 15.504 13.536 1.00 2.74 H new ATOM 0 HZ PHE A 6 4.096 13.755 11.769 1.00 3.29 H new ATOM 97 N PHE A 7 0.459 18.706 12.684 1.00 1.13 N ATOM 98 CA PHE A 7 -0.355 18.059 13.715 1.00 1.11 C ATOM 99 C PHE A 7 -1.848 18.207 13.410 1.00 1.04 C ATOM 100 O PHE A 7 -2.606 17.260 13.583 1.00 0.97 O ATOM 101 CB PHE A 7 0.000 18.675 15.076 1.00 1.26 C ATOM 102 CG PHE A 7 -0.959 18.325 16.198 1.00 1.31 C ATOM 103 CD1 PHE A 7 -0.828 17.114 16.903 1.00 2.38 C ATOM 104 CD2 PHE A 7 -2.002 19.215 16.523 1.00 1.71 C ATOM 105 CE1 PHE A 7 -1.735 16.797 17.932 1.00 2.51 C ATOM 106 CE2 PHE A 7 -2.913 18.894 17.544 1.00 1.68 C ATOM 107 CZ PHE A 7 -2.779 17.685 18.251 1.00 1.50 C ATOM 0 H PHE A 7 0.969 19.519 13.028 1.00 1.13 H new ATOM 0 HA PHE A 7 -0.141 16.990 13.734 1.00 1.11 H new ATOM 0 HB2 PHE A 7 1.001 18.349 15.357 1.00 1.26 H new ATOM 0 HB3 PHE A 7 0.035 19.759 14.971 1.00 1.26 H new ATOM 0 HD1 PHE A 7 -0.032 16.428 16.655 1.00 2.38 H new ATOM 0 HD2 PHE A 7 -2.102 20.147 15.986 1.00 1.71 H new ATOM 0 HE1 PHE A 7 -1.629 15.871 18.477 1.00 2.51 H new ATOM 0 HE2 PHE A 7 -3.716 19.575 17.786 1.00 1.68 H new ATOM 0 HZ PHE A 7 -3.477 17.439 19.038 1.00 1.50 H new ATOM 117 N SER A 8 -2.277 19.369 12.923 1.00 1.09 N ATOM 118 CA SER A 8 -3.674 19.636 12.567 1.00 1.07 C ATOM 119 C SER A 8 -4.108 18.823 11.336 1.00 0.94 C ATOM 120 O SER A 8 -5.205 18.265 11.307 1.00 0.89 O ATOM 121 CB SER A 8 -3.865 21.139 12.320 1.00 1.20 C ATOM 122 OG SER A 8 -5.245 21.465 12.231 1.00 1.23 O ATOM 0 H SER A 8 -1.658 20.164 12.761 1.00 1.09 H new ATOM 0 HA SER A 8 -4.306 19.325 13.399 1.00 1.07 H new ATOM 0 HB2 SER A 8 -3.404 21.706 13.129 1.00 1.20 H new ATOM 0 HB3 SER A 8 -3.358 21.428 11.399 1.00 1.20 H new ATOM 0 HG SER A 8 -5.344 22.427 12.075 1.00 1.23 H new ATOM 128 N TRP A 9 -3.213 18.659 10.354 1.00 0.92 N ATOM 129 CA TRP A 9 -3.404 17.784 9.192 1.00 0.83 C ATOM 130 C TRP A 9 -3.538 16.332 9.654 1.00 0.73 C ATOM 131 O TRP A 9 -4.487 15.645 9.275 1.00 0.68 O ATOM 132 CB TRP A 9 -2.229 17.976 8.214 1.00 0.88 C ATOM 133 CG TRP A 9 -2.267 17.165 6.950 1.00 0.88 C ATOM 134 CD1 TRP A 9 -2.126 15.821 6.873 1.00 1.74 C ATOM 135 CD2 TRP A 9 -2.429 17.619 5.567 1.00 1.61 C ATOM 136 NE1 TRP A 9 -2.209 15.411 5.557 1.00 1.43 N ATOM 137 CE2 TRP A 9 -2.413 16.477 4.709 1.00 1.19 C ATOM 138 CE3 TRP A 9 -2.590 18.879 4.946 1.00 3.23 C ATOM 139 CZ2 TRP A 9 -2.581 16.575 3.319 1.00 2.03 C ATOM 140 CZ3 TRP A 9 -2.738 18.991 3.550 1.00 4.27 C ATOM 141 CH2 TRP A 9 -2.743 17.843 2.737 1.00 3.64 C ATOM 0 H TRP A 9 -2.315 19.143 10.346 1.00 0.92 H new ATOM 0 HA TRP A 9 -4.323 18.045 8.668 1.00 0.83 H new ATOM 0 HB2 TRP A 9 -2.182 19.030 7.941 1.00 0.88 H new ATOM 0 HB3 TRP A 9 -1.305 17.741 8.742 1.00 0.88 H new ATOM 0 HD1 TRP A 9 -1.971 15.165 7.717 1.00 1.74 H new ATOM 0 HE1 TRP A 9 -2.129 14.441 5.251 1.00 1.43 H new ATOM 0 HE3 TRP A 9 -2.600 19.772 5.553 1.00 3.23 H new ATOM 0 HZ2 TRP A 9 -2.586 15.687 2.705 1.00 2.03 H new ATOM 0 HZ3 TRP A 9 -2.849 19.966 3.100 1.00 4.27 H new ATOM 0 HH2 TRP A 9 -2.871 17.936 1.669 1.00 3.64 H new ATOM 152 N ARG A 10 -2.643 15.893 10.549 1.00 0.72 N ATOM 153 CA ARG A 10 -2.664 14.547 11.130 1.00 0.66 C ATOM 154 C ARG A 10 -3.975 14.306 11.893 1.00 0.66 C ATOM 155 O ARG A 10 -4.650 13.304 11.680 1.00 0.62 O ATOM 156 CB ARG A 10 -1.441 14.365 12.050 1.00 0.75 C ATOM 157 CG ARG A 10 -1.067 12.887 12.200 1.00 0.82 C ATOM 158 CD ARG A 10 -0.284 12.579 13.479 1.00 1.40 C ATOM 159 NE ARG A 10 -1.183 12.487 14.643 1.00 2.18 N ATOM 160 CZ ARG A 10 -0.825 12.441 15.920 1.00 2.88 C ATOM 161 NH1 ARG A 10 0.435 12.524 16.295 1.00 2.96 N ATOM 162 NH2 ARG A 10 -1.743 12.299 16.852 1.00 4.08 N ATOM 0 H ARG A 10 -1.876 16.470 10.893 1.00 0.72 H new ATOM 0 HA ARG A 10 -2.612 13.809 10.330 1.00 0.66 H new ATOM 0 HB2 ARG A 10 -0.593 14.917 11.644 1.00 0.75 H new ATOM 0 HB3 ARG A 10 -1.656 14.788 13.031 1.00 0.75 H new ATOM 0 HG2 ARG A 10 -1.977 12.288 12.188 1.00 0.82 H new ATOM 0 HG3 ARG A 10 -0.473 12.582 11.338 1.00 0.82 H new ATOM 0 HD2 ARG A 10 0.259 11.641 13.360 1.00 1.40 H new ATOM 0 HD3 ARG A 10 0.459 13.358 13.650 1.00 1.40 H new ATOM 0 HE ARG A 10 -2.183 12.455 14.447 1.00 2.18 H new ATOM 0 HH11 ARG A 10 1.170 12.627 15.595 1.00 2.96 H new ATOM 0 HH12 ARG A 10 0.676 12.485 17.285 1.00 2.96 H new ATOM 0 HH21 ARG A 10 -2.726 12.225 16.592 1.00 4.08 H new ATOM 0 HH22 ARG A 10 -1.471 12.263 17.834 1.00 4.08 H new ATOM 176 N ARG A 11 -4.390 15.278 12.711 1.00 0.74 N ATOM 177 CA ARG A 11 -5.625 15.271 13.509 1.00 0.78 C ATOM 178 C ARG A 11 -6.873 15.204 12.618 1.00 0.73 C ATOM 179 O ARG A 11 -7.771 14.405 12.884 1.00 0.74 O ATOM 180 CB ARG A 11 -5.619 16.526 14.402 1.00 0.88 C ATOM 181 CG ARG A 11 -6.896 16.718 15.228 1.00 1.17 C ATOM 182 CD ARG A 11 -6.786 17.973 16.103 1.00 1.67 C ATOM 183 NE ARG A 11 -8.052 18.238 16.811 1.00 1.94 N ATOM 184 CZ ARG A 11 -9.064 18.989 16.388 1.00 2.79 C ATOM 185 NH1 ARG A 11 -9.037 19.627 15.234 1.00 4.10 N ATOM 186 NH2 ARG A 11 -10.140 19.108 17.135 1.00 3.13 N ATOM 0 H ARG A 11 -3.850 16.133 12.843 1.00 0.74 H new ATOM 0 HA ARG A 11 -5.660 14.379 14.134 1.00 0.78 H new ATOM 0 HB2 ARG A 11 -4.767 16.472 15.079 1.00 0.88 H new ATOM 0 HB3 ARG A 11 -5.471 17.404 13.774 1.00 0.88 H new ATOM 0 HG2 ARG A 11 -7.756 16.805 14.564 1.00 1.17 H new ATOM 0 HG3 ARG A 11 -7.065 15.843 15.856 1.00 1.17 H new ATOM 0 HD2 ARG A 11 -5.981 17.846 16.826 1.00 1.67 H new ATOM 0 HD3 ARG A 11 -6.526 18.831 15.483 1.00 1.67 H new ATOM 0 HE ARG A 11 -8.163 17.797 17.724 1.00 1.94 H new ATOM 0 HH11 ARG A 11 -8.218 19.554 14.630 1.00 4.10 H new ATOM 0 HH12 ARG A 11 -9.835 20.193 14.946 1.00 4.10 H new ATOM 0 HH21 ARG A 11 -10.194 18.626 18.032 1.00 3.13 H new ATOM 0 HH22 ARG A 11 -10.921 19.683 16.817 1.00 3.13 H new ATOM 200 N THR A 12 -6.905 15.995 11.539 1.00 0.72 N ATOM 201 CA THR A 12 -8.000 16.025 10.551 1.00 0.72 C ATOM 202 C THR A 12 -8.130 14.676 9.861 1.00 0.66 C ATOM 203 O THR A 12 -9.234 14.150 9.759 1.00 0.68 O ATOM 204 CB THR A 12 -7.775 17.157 9.538 1.00 0.76 C ATOM 205 OG1 THR A 12 -7.781 18.383 10.234 1.00 0.84 O ATOM 206 CG2 THR A 12 -8.875 17.233 8.478 1.00 0.79 C ATOM 0 H THR A 12 -6.154 16.649 11.320 1.00 0.72 H new ATOM 0 HA THR A 12 -8.938 16.224 11.069 1.00 0.72 H new ATOM 0 HB THR A 12 -6.828 16.959 9.037 1.00 0.76 H new ATOM 0 HG1 THR A 12 -6.915 18.514 10.674 1.00 0.84 H new ATOM 0 HG21 THR A 12 -8.662 18.052 7.790 1.00 0.79 H new ATOM 0 HG22 THR A 12 -8.912 16.295 7.925 1.00 0.79 H new ATOM 0 HG23 THR A 12 -9.836 17.407 8.962 1.00 0.79 H new ATOM 214 N MET A 13 -7.011 14.078 9.452 1.00 0.60 N ATOM 215 CA MET A 13 -7.000 12.751 8.833 1.00 0.57 C ATOM 216 C MET A 13 -7.405 11.656 9.832 1.00 0.58 C ATOM 217 O MET A 13 -8.229 10.820 9.480 1.00 0.61 O ATOM 218 CB MET A 13 -5.647 12.497 8.139 1.00 0.52 C ATOM 219 CG MET A 13 -5.793 12.318 6.619 1.00 0.89 C ATOM 220 SD MET A 13 -6.672 13.606 5.682 1.00 1.23 S ATOM 221 CE MET A 13 -5.791 15.100 6.194 1.00 1.26 C ATOM 0 H MET A 13 -6.086 14.499 9.540 1.00 0.60 H new ATOM 0 HA MET A 13 -7.760 12.715 8.053 1.00 0.57 H new ATOM 0 HB2 MET A 13 -4.976 13.332 8.341 1.00 0.52 H new ATOM 0 HB3 MET A 13 -5.185 11.606 8.564 1.00 0.52 H new ATOM 0 HG2 MET A 13 -4.792 12.224 6.197 1.00 0.89 H new ATOM 0 HG3 MET A 13 -6.304 11.371 6.443 1.00 0.89 H new ATOM 0 HE1 MET A 13 -5.660 15.758 5.335 1.00 1.26 H new ATOM 0 HE2 MET A 13 -6.367 15.617 6.962 1.00 1.26 H new ATOM 0 HE3 MET A 13 -4.815 14.827 6.595 1.00 1.26 H new ATOM 231 N LEU A 14 -6.975 11.721 11.098 1.00 0.59 N ATOM 232 CA LEU A 14 -7.406 10.817 12.182 1.00 0.64 C ATOM 233 C LEU A 14 -8.927 10.848 12.352 1.00 0.66 C ATOM 234 O LEU A 14 -9.567 9.800 12.425 1.00 0.70 O ATOM 235 CB LEU A 14 -6.698 11.210 13.505 1.00 0.71 C ATOM 236 CG LEU A 14 -5.673 10.164 13.991 1.00 0.95 C ATOM 237 CD1 LEU A 14 -4.541 10.821 14.793 1.00 1.97 C ATOM 238 CD2 LEU A 14 -6.321 9.079 14.859 1.00 1.95 C ATOM 0 H LEU A 14 -6.300 12.420 11.409 1.00 0.59 H new ATOM 0 HA LEU A 14 -7.124 9.798 11.918 1.00 0.64 H new ATOM 0 HB2 LEU A 14 -6.192 12.165 13.367 1.00 0.71 H new ATOM 0 HB3 LEU A 14 -7.450 11.357 14.280 1.00 0.71 H new ATOM 0 HG LEU A 14 -5.267 9.701 13.092 1.00 0.95 H new ATOM 0 HD11 LEU A 14 -3.836 10.057 15.121 1.00 1.97 H new ATOM 0 HD12 LEU A 14 -4.024 11.546 14.165 1.00 1.97 H new ATOM 0 HD13 LEU A 14 -4.958 11.327 15.664 1.00 1.97 H new ATOM 0 HD21 LEU A 14 -5.561 8.366 15.177 1.00 1.95 H new ATOM 0 HD22 LEU A 14 -6.777 9.539 15.736 1.00 1.95 H new ATOM 0 HD23 LEU A 14 -7.086 8.560 14.282 1.00 1.95 H new ATOM 250 N LEU A 15 -9.509 12.050 12.368 1.00 0.66 N ATOM 251 CA LEU A 15 -10.943 12.270 12.527 1.00 0.70 C ATOM 252 C LEU A 15 -11.714 11.750 11.298 1.00 0.67 C ATOM 253 O LEU A 15 -12.733 11.082 11.469 1.00 0.69 O ATOM 254 CB LEU A 15 -11.140 13.773 12.840 1.00 0.75 C ATOM 255 CG LEU A 15 -12.369 14.186 13.676 1.00 0.92 C ATOM 256 CD1 LEU A 15 -13.677 13.977 12.918 1.00 1.10 C ATOM 257 CD2 LEU A 15 -12.440 13.457 15.028 1.00 1.05 C ATOM 0 H LEU A 15 -8.980 12.916 12.268 1.00 0.66 H new ATOM 0 HA LEU A 15 -11.361 11.701 13.357 1.00 0.70 H new ATOM 0 HB2 LEU A 15 -10.249 14.125 13.360 1.00 0.75 H new ATOM 0 HB3 LEU A 15 -11.187 14.308 11.891 1.00 0.75 H new ATOM 0 HG LEU A 15 -12.240 15.251 13.869 1.00 0.92 H new ATOM 0 HD11 LEU A 15 -14.514 14.281 13.546 1.00 1.10 H new ATOM 0 HD12 LEU A 15 -13.670 14.576 12.008 1.00 1.10 H new ATOM 0 HD13 LEU A 15 -13.783 12.924 12.658 1.00 1.10 H new ATOM 0 HD21 LEU A 15 -13.324 13.787 15.573 1.00 1.05 H new ATOM 0 HD22 LEU A 15 -12.498 12.382 14.859 1.00 1.05 H new ATOM 0 HD23 LEU A 15 -11.548 13.685 15.612 1.00 1.05 H new ATOM 269 N ARG A 16 -11.187 11.937 10.078 1.00 0.67 N ATOM 270 CA ARG A 16 -11.734 11.339 8.843 1.00 0.71 C ATOM 271 C ARG A 16 -11.674 9.807 8.870 1.00 0.72 C ATOM 272 O ARG A 16 -12.666 9.144 8.575 1.00 0.79 O ATOM 273 CB ARG A 16 -10.955 11.825 7.612 1.00 0.74 C ATOM 274 CG ARG A 16 -11.230 13.288 7.250 1.00 0.79 C ATOM 275 CD ARG A 16 -10.172 13.778 6.252 1.00 0.91 C ATOM 276 NE ARG A 16 -10.712 13.976 4.900 1.00 1.10 N ATOM 277 CZ ARG A 16 -11.081 15.124 4.349 1.00 1.48 C ATOM 278 NH1 ARG A 16 -11.140 16.248 5.037 1.00 2.60 N ATOM 279 NH2 ARG A 16 -11.398 15.149 3.074 1.00 1.99 N ATOM 0 H ARG A 16 -10.361 12.513 9.916 1.00 0.67 H new ATOM 0 HA ARG A 16 -12.776 11.655 8.784 1.00 0.71 H new ATOM 0 HB2 ARG A 16 -9.888 11.699 7.795 1.00 0.74 H new ATOM 0 HB3 ARG A 16 -11.209 11.195 6.760 1.00 0.74 H new ATOM 0 HG2 ARG A 16 -12.226 13.385 6.817 1.00 0.79 H new ATOM 0 HG3 ARG A 16 -11.211 13.905 8.148 1.00 0.79 H new ATOM 0 HD2 ARG A 16 -9.749 14.716 6.610 1.00 0.91 H new ATOM 0 HD3 ARG A 16 -9.357 13.056 6.210 1.00 0.91 H new ATOM 0 HE ARG A 16 -10.814 13.141 4.324 1.00 1.10 H new ATOM 0 HH11 ARG A 16 -10.897 16.253 6.028 1.00 2.60 H new ATOM 0 HH12 ARG A 16 -11.429 17.112 4.578 1.00 2.60 H new ATOM 0 HH21 ARG A 16 -11.358 14.292 2.522 1.00 1.99 H new ATOM 0 HH22 ARG A 16 -11.684 16.025 2.637 1.00 1.99 H new ATOM 293 N PHE A 17 -10.540 9.228 9.272 1.00 0.67 N ATOM 294 CA PHE A 17 -10.336 7.780 9.349 1.00 0.70 C ATOM 295 C PHE A 17 -11.230 7.132 10.419 1.00 0.78 C ATOM 296 O PHE A 17 -11.754 6.044 10.190 1.00 0.84 O ATOM 297 CB PHE A 17 -8.838 7.486 9.540 1.00 0.65 C ATOM 298 CG PHE A 17 -7.996 7.649 8.280 1.00 0.58 C ATOM 299 CD1 PHE A 17 -8.340 6.973 7.092 1.00 2.06 C ATOM 300 CD2 PHE A 17 -6.848 8.462 8.298 1.00 1.94 C ATOM 301 CE1 PHE A 17 -7.569 7.148 5.928 1.00 2.04 C ATOM 302 CE2 PHE A 17 -6.066 8.627 7.143 1.00 1.98 C ATOM 303 CZ PHE A 17 -6.435 7.981 5.952 1.00 0.58 C ATOM 0 H PHE A 17 -9.721 9.764 9.559 1.00 0.67 H new ATOM 0 HA PHE A 17 -10.645 7.320 8.411 1.00 0.70 H new ATOM 0 HB2 PHE A 17 -8.446 8.149 10.312 1.00 0.65 H new ATOM 0 HB3 PHE A 17 -8.725 6.466 9.908 1.00 0.65 H new ATOM 0 HD1 PHE A 17 -9.199 6.318 7.075 1.00 2.06 H new ATOM 0 HD2 PHE A 17 -6.565 8.965 9.211 1.00 1.94 H new ATOM 0 HE1 PHE A 17 -7.848 6.643 5.015 1.00 2.04 H new ATOM 0 HE2 PHE A 17 -5.183 9.249 7.171 1.00 1.98 H new ATOM 0 HZ PHE A 17 -5.849 8.123 5.056 1.00 0.58 H new ATOM 313 N GLN A 18 -11.491 7.826 11.531 1.00 0.80 N ATOM 314 CA GLN A 18 -12.488 7.424 12.532 1.00 0.89 C ATOM 315 C GLN A 18 -13.943 7.638 12.049 1.00 0.89 C ATOM 316 O GLN A 18 -14.863 7.049 12.618 1.00 0.97 O ATOM 317 CB GLN A 18 -12.191 8.180 13.844 1.00 0.96 C ATOM 318 CG GLN A 18 -12.796 7.519 15.101 1.00 1.20 C ATOM 319 CD GLN A 18 -13.922 8.336 15.739 1.00 1.80 C ATOM 320 OE1 GLN A 18 -13.757 8.975 16.772 1.00 2.09 O ATOM 321 NE2 GLN A 18 -15.103 8.357 15.157 1.00 3.27 N ATOM 0 H GLN A 18 -11.010 8.694 11.766 1.00 0.80 H new ATOM 0 HA GLN A 18 -12.406 6.351 12.703 1.00 0.89 H new ATOM 0 HB2 GLN A 18 -11.111 8.257 13.971 1.00 0.96 H new ATOM 0 HB3 GLN A 18 -12.575 9.197 13.760 1.00 0.96 H new ATOM 0 HG2 GLN A 18 -13.179 6.534 14.835 1.00 1.20 H new ATOM 0 HG3 GLN A 18 -12.007 7.366 15.837 1.00 1.20 H new ATOM 0 HE21 GLN A 18 -15.257 7.831 14.297 1.00 3.27 H new ATOM 0 HE22 GLN A 18 -15.864 8.899 15.566 1.00 3.27 H new ATOM 330 N ARG A 19 -14.167 8.449 11.003 1.00 0.87 N ATOM 331 CA ARG A 19 -15.475 8.668 10.365 1.00 0.93 C ATOM 332 C ARG A 19 -15.844 7.612 9.316 1.00 1.00 C ATOM 333 O ARG A 19 -17.030 7.466 9.017 1.00 1.12 O ATOM 334 CB ARG A 19 -15.535 10.068 9.709 1.00 0.94 C ATOM 335 CG ARG A 19 -16.591 10.963 10.367 1.00 1.12 C ATOM 336 CD ARG A 19 -16.161 11.373 11.780 1.00 1.24 C ATOM 337 NE ARG A 19 -17.258 12.013 12.528 1.00 1.41 N ATOM 338 CZ ARG A 19 -18.269 11.398 13.130 1.00 2.03 C ATOM 339 NH1 ARG A 19 -18.421 10.088 13.090 1.00 2.87 N ATOM 340 NH2 ARG A 19 -19.159 12.103 13.792 1.00 2.44 N ATOM 0 H ARG A 19 -13.420 8.987 10.564 1.00 0.87 H new ATOM 0 HA ARG A 19 -16.204 8.587 11.172 1.00 0.93 H new ATOM 0 HB2 ARG A 19 -14.558 10.545 9.782 1.00 0.94 H new ATOM 0 HB3 ARG A 19 -15.759 9.962 8.648 1.00 0.94 H new ATOM 0 HG2 ARG A 19 -16.748 11.853 9.758 1.00 1.12 H new ATOM 0 HG3 ARG A 19 -17.543 10.435 10.412 1.00 1.12 H new ATOM 0 HD2 ARG A 19 -15.817 10.493 12.324 1.00 1.24 H new ATOM 0 HD3 ARG A 19 -15.317 12.059 11.717 1.00 1.24 H new ATOM 0 HE ARG A 19 -17.238 13.031 12.589 1.00 1.41 H new ATOM 0 HH11 ARG A 19 -17.748 9.512 12.584 1.00 2.87 H new ATOM 0 HH12 ARG A 19 -19.211 9.652 13.565 1.00 2.87 H new ATOM 0 HH21 ARG A 19 -19.071 13.118 13.842 1.00 2.44 H new ATOM 0 HH22 ARG A 19 -19.938 11.635 14.256 1.00 2.44 H new ATOM 354 N MET A 20 -14.876 6.892 8.739 1.00 0.94 N ATOM 355 CA MET A 20 -15.147 5.873 7.712 1.00 1.01 C ATOM 356 C MET A 20 -16.011 4.738 8.278 1.00 1.28 C ATOM 357 O MET A 20 -15.582 3.996 9.161 1.00 2.39 O ATOM 358 CB MET A 20 -13.848 5.310 7.113 1.00 0.85 C ATOM 359 CG MET A 20 -12.896 6.385 6.582 1.00 0.76 C ATOM 360 SD MET A 20 -13.609 7.654 5.506 1.00 0.97 S ATOM 361 CE MET A 20 -12.083 8.564 5.191 1.00 0.76 C ATOM 0 H MET A 20 -13.887 6.996 8.967 1.00 0.94 H new ATOM 0 HA MET A 20 -15.699 6.363 6.910 1.00 1.01 H new ATOM 0 HB2 MET A 20 -13.332 4.725 7.874 1.00 0.85 H new ATOM 0 HB3 MET A 20 -14.099 4.627 6.301 1.00 0.85 H new ATOM 0 HG2 MET A 20 -12.437 6.883 7.436 1.00 0.76 H new ATOM 0 HG3 MET A 20 -12.095 5.888 6.035 1.00 0.76 H new ATOM 0 HE1 MET A 20 -12.292 9.409 4.534 1.00 0.76 H new ATOM 0 HE2 MET A 20 -11.676 8.929 6.134 1.00 0.76 H new ATOM 0 HE3 MET A 20 -11.358 7.904 4.714 1.00 0.76 H new ATOM 371 N GLU A 21 -17.232 4.610 7.756 1.00 0.94 N ATOM 372 CA GLU A 21 -18.201 3.576 8.147 1.00 1.06 C ATOM 373 C GLU A 21 -18.163 2.340 7.225 1.00 1.01 C ATOM 374 O GLU A 21 -18.829 1.341 7.515 1.00 1.13 O ATOM 375 CB GLU A 21 -19.605 4.203 8.208 1.00 1.18 C ATOM 376 CG GLU A 21 -19.787 5.011 9.506 1.00 1.89 C ATOM 377 CD GLU A 21 -21.099 5.815 9.564 1.00 2.23 C ATOM 378 OE1 GLU A 21 -22.082 5.476 8.863 1.00 2.22 O ATOM 379 OE2 GLU A 21 -21.165 6.796 10.344 1.00 3.55 O ATOM 0 H GLU A 21 -17.586 5.236 7.032 1.00 0.94 H new ATOM 0 HA GLU A 21 -17.927 3.205 9.135 1.00 1.06 H new ATOM 0 HB2 GLU A 21 -19.756 4.853 7.346 1.00 1.18 H new ATOM 0 HB3 GLU A 21 -20.361 3.420 8.153 1.00 1.18 H new ATOM 0 HG2 GLU A 21 -19.754 4.328 10.355 1.00 1.89 H new ATOM 0 HG3 GLU A 21 -18.947 5.697 9.616 1.00 1.89 H new ATOM 386 N THR A 22 -17.359 2.379 6.150 1.00 0.94 N ATOM 387 CA THR A 22 -17.038 1.226 5.289 1.00 1.00 C ATOM 388 C THR A 22 -15.527 1.072 5.157 1.00 0.88 C ATOM 389 O THR A 22 -14.781 2.055 5.117 1.00 0.77 O ATOM 390 CB THR A 22 -17.702 1.311 3.902 1.00 1.09 C ATOM 391 OG1 THR A 22 -16.976 2.165 3.054 1.00 1.12 O ATOM 392 CG2 THR A 22 -19.148 1.799 3.960 1.00 1.24 C ATOM 0 H THR A 22 -16.900 3.238 5.846 1.00 0.94 H new ATOM 0 HA THR A 22 -17.450 0.341 5.774 1.00 1.00 H new ATOM 0 HB THR A 22 -17.703 0.294 3.511 1.00 1.09 H new ATOM 0 HG1 THR A 22 -17.575 2.849 2.688 1.00 1.12 H new ATOM 0 HG21 THR A 22 -19.560 1.837 2.952 1.00 1.24 H new ATOM 0 HG22 THR A 22 -19.739 1.114 4.568 1.00 1.24 H new ATOM 0 HG23 THR A 22 -19.178 2.795 4.402 1.00 1.24 H new ATOM 400 N ALA A 23 -15.071 -0.176 5.041 1.00 0.91 N ATOM 401 CA ALA A 23 -13.666 -0.500 4.759 1.00 0.84 C ATOM 402 C ALA A 23 -13.230 0.064 3.396 1.00 0.84 C ATOM 403 O ALA A 23 -12.078 0.453 3.208 1.00 0.81 O ATOM 404 CB ALA A 23 -13.503 -2.025 4.820 1.00 0.93 C ATOM 0 H ALA A 23 -15.667 -0.998 5.140 1.00 0.91 H new ATOM 0 HA ALA A 23 -13.020 -0.037 5.505 1.00 0.84 H new ATOM 0 HB1 ALA A 23 -12.466 -2.289 4.613 1.00 0.93 H new ATOM 0 HB2 ALA A 23 -13.777 -2.381 5.813 1.00 0.93 H new ATOM 0 HB3 ALA A 23 -14.151 -2.490 4.077 1.00 0.93 H new ATOM 410 N GLU A 24 -14.184 0.149 2.468 1.00 0.92 N ATOM 411 CA GLU A 24 -14.014 0.704 1.132 1.00 0.98 C ATOM 412 C GLU A 24 -13.641 2.191 1.214 1.00 0.89 C ATOM 413 O GLU A 24 -12.681 2.613 0.576 1.00 0.89 O ATOM 414 CB GLU A 24 -15.274 0.463 0.278 1.00 1.13 C ATOM 415 CG GLU A 24 -15.788 -0.984 0.363 1.00 1.28 C ATOM 416 CD GLU A 24 -16.891 -1.262 -0.670 1.00 1.45 C ATOM 417 OE1 GLU A 24 -16.569 -1.673 -1.809 1.00 2.58 O ATOM 418 OE2 GLU A 24 -18.090 -1.094 -0.344 1.00 1.68 O ATOM 0 H GLU A 24 -15.134 -0.182 2.637 1.00 0.92 H new ATOM 0 HA GLU A 24 -13.190 0.190 0.636 1.00 0.98 H new ATOM 0 HB2 GLU A 24 -16.062 1.143 0.603 1.00 1.13 H new ATOM 0 HB3 GLU A 24 -15.053 0.704 -0.762 1.00 1.13 H new ATOM 0 HG2 GLU A 24 -14.959 -1.674 0.203 1.00 1.28 H new ATOM 0 HG3 GLU A 24 -16.173 -1.174 1.365 1.00 1.28 H new ATOM 425 N GLU A 25 -14.320 2.972 2.063 1.00 0.83 N ATOM 426 CA GLU A 25 -14.033 4.395 2.279 1.00 0.75 C ATOM 427 C GLU A 25 -12.623 4.643 2.844 1.00 0.66 C ATOM 428 O GLU A 25 -11.979 5.620 2.452 1.00 0.61 O ATOM 429 CB GLU A 25 -15.115 5.031 3.173 1.00 0.82 C ATOM 430 CG GLU A 25 -16.056 5.979 2.416 1.00 1.23 C ATOM 431 CD GLU A 25 -16.689 5.353 1.162 1.00 3.10 C ATOM 432 OE1 GLU A 25 -17.670 4.583 1.290 1.00 4.05 O ATOM 433 OE2 GLU A 25 -16.220 5.669 0.041 1.00 4.25 O ATOM 0 H GLU A 25 -15.096 2.627 2.628 1.00 0.83 H new ATOM 0 HA GLU A 25 -14.055 4.878 1.302 1.00 0.75 H new ATOM 0 HB2 GLU A 25 -15.705 4.239 3.635 1.00 0.82 H new ATOM 0 HB3 GLU A 25 -14.631 5.581 3.980 1.00 0.82 H new ATOM 0 HG2 GLU A 25 -16.850 6.303 3.089 1.00 1.23 H new ATOM 0 HG3 GLU A 25 -15.501 6.871 2.125 1.00 1.23 H new ATOM 440 N VAL A 26 -12.112 3.749 3.703 1.00 0.68 N ATOM 441 CA VAL A 26 -10.738 3.856 4.246 1.00 0.61 C ATOM 442 C VAL A 26 -9.697 3.776 3.125 1.00 0.63 C ATOM 443 O VAL A 26 -8.786 4.604 3.090 1.00 0.59 O ATOM 444 CB VAL A 26 -10.427 2.791 5.330 1.00 0.64 C ATOM 445 CG1 VAL A 26 -8.987 2.909 5.865 1.00 0.59 C ATOM 446 CG2 VAL A 26 -11.382 2.891 6.531 1.00 0.67 C ATOM 0 H VAL A 26 -12.628 2.937 4.042 1.00 0.68 H new ATOM 0 HA VAL A 26 -10.681 4.832 4.727 1.00 0.61 H new ATOM 0 HB VAL A 26 -10.558 1.830 4.832 1.00 0.64 H new ATOM 0 HG11 VAL A 26 -8.816 2.143 6.621 1.00 0.59 H new ATOM 0 HG12 VAL A 26 -8.282 2.773 5.045 1.00 0.59 H new ATOM 0 HG13 VAL A 26 -8.843 3.895 6.308 1.00 0.59 H new ATOM 0 HG21 VAL A 26 -11.126 2.126 7.264 1.00 0.67 H new ATOM 0 HG22 VAL A 26 -11.290 3.876 6.988 1.00 0.67 H new ATOM 0 HG23 VAL A 26 -12.408 2.742 6.194 1.00 0.67 H new ATOM 456 N TYR A 27 -9.836 2.825 2.192 1.00 0.72 N ATOM 457 CA TYR A 27 -8.902 2.697 1.066 1.00 0.77 C ATOM 458 C TYR A 27 -9.186 3.738 -0.039 1.00 0.74 C ATOM 459 O TYR A 27 -8.274 4.241 -0.688 1.00 0.74 O ATOM 460 CB TYR A 27 -8.842 1.239 0.566 1.00 0.90 C ATOM 461 CG TYR A 27 -9.670 0.907 -0.659 1.00 0.98 C ATOM 462 CD1 TYR A 27 -9.269 1.385 -1.920 1.00 1.88 C ATOM 463 CD2 TYR A 27 -10.823 0.111 -0.547 1.00 1.53 C ATOM 464 CE1 TYR A 27 -10.048 1.119 -3.060 1.00 1.97 C ATOM 465 CE2 TYR A 27 -11.613 -0.156 -1.682 1.00 1.59 C ATOM 466 CZ TYR A 27 -11.232 0.356 -2.943 1.00 1.21 C ATOM 467 OH TYR A 27 -12.001 0.116 -4.042 1.00 1.33 O ATOM 0 H TYR A 27 -10.586 2.133 2.195 1.00 0.72 H new ATOM 0 HA TYR A 27 -7.898 2.934 1.417 1.00 0.77 H new ATOM 0 HB2 TYR A 27 -7.802 0.995 0.350 1.00 0.90 H new ATOM 0 HB3 TYR A 27 -9.160 0.587 1.379 1.00 0.90 H new ATOM 0 HD1 TYR A 27 -8.359 1.959 -2.013 1.00 1.88 H new ATOM 0 HD2 TYR A 27 -11.104 -0.297 0.413 1.00 1.53 H new ATOM 0 HE1 TYR A 27 -9.742 1.497 -4.024 1.00 1.97 H new ATOM 0 HE2 TYR A 27 -12.509 -0.751 -1.589 1.00 1.59 H new ATOM 0 HH TYR A 27 -12.777 -0.425 -3.786 1.00 1.33 H new ATOM 477 N HIS A 28 -10.448 4.102 -0.248 1.00 0.75 N ATOM 478 CA HIS A 28 -10.889 5.115 -1.204 1.00 0.74 C ATOM 479 C HIS A 28 -10.347 6.519 -0.881 1.00 0.62 C ATOM 480 O HIS A 28 -9.892 7.179 -1.807 1.00 0.63 O ATOM 481 CB HIS A 28 -12.419 5.059 -1.259 1.00 0.83 C ATOM 482 CG HIS A 28 -13.108 6.047 -2.161 1.00 0.87 C ATOM 483 ND1 HIS A 28 -14.341 6.611 -1.920 1.00 1.04 N ATOM 484 CD2 HIS A 28 -12.682 6.510 -3.377 1.00 0.97 C ATOM 485 CE1 HIS A 28 -14.629 7.424 -2.948 1.00 1.06 C ATOM 486 NE2 HIS A 28 -13.653 7.390 -3.874 1.00 1.04 N ATOM 0 H HIS A 28 -11.224 3.682 0.265 1.00 0.75 H new ATOM 0 HA HIS A 28 -10.479 4.898 -2.190 1.00 0.74 H new ATOM 0 HB2 HIS A 28 -12.710 4.056 -1.571 1.00 0.83 H new ATOM 0 HB3 HIS A 28 -12.800 5.201 -0.248 1.00 0.83 H new ATOM 0 HD1 HIS A 28 -14.930 6.441 -1.105 1.00 1.04 H new ATOM 0 HD2 HIS A 28 -11.758 6.243 -3.868 1.00 0.97 H new ATOM 0 HE1 HIS A 28 -15.523 8.025 -3.022 1.00 1.06 H new ATOM 494 N GLU A 29 -10.325 6.980 0.380 1.00 0.55 N ATOM 495 CA GLU A 29 -9.724 8.291 0.722 1.00 0.51 C ATOM 496 C GLU A 29 -8.233 8.337 0.337 1.00 0.49 C ATOM 497 O GLU A 29 -7.748 9.309 -0.249 1.00 0.51 O ATOM 498 CB GLU A 29 -9.893 8.541 2.234 1.00 0.54 C ATOM 499 CG GLU A 29 -9.283 9.845 2.784 1.00 0.85 C ATOM 500 CD GLU A 29 -10.188 11.072 2.575 1.00 1.15 C ATOM 501 OE1 GLU A 29 -10.237 11.626 1.453 1.00 2.38 O ATOM 502 OE2 GLU A 29 -10.836 11.519 3.550 1.00 2.09 O ATOM 0 H GLU A 29 -10.711 6.474 1.177 1.00 0.55 H new ATOM 0 HA GLU A 29 -10.234 9.072 0.158 1.00 0.51 H new ATOM 0 HB2 GLU A 29 -10.958 8.538 2.464 1.00 0.54 H new ATOM 0 HB3 GLU A 29 -9.449 7.703 2.771 1.00 0.54 H new ATOM 0 HG2 GLU A 29 -9.085 9.725 3.849 1.00 0.85 H new ATOM 0 HG3 GLU A 29 -8.323 10.023 2.299 1.00 0.85 H new ATOM 509 N ILE A 30 -7.491 7.272 0.651 1.00 0.50 N ATOM 510 CA ILE A 30 -6.052 7.192 0.337 1.00 0.54 C ATOM 511 C ILE A 30 -5.779 6.976 -1.161 1.00 0.56 C ATOM 512 O ILE A 30 -4.805 7.524 -1.679 1.00 0.58 O ATOM 513 CB ILE A 30 -5.333 6.197 1.272 1.00 0.61 C ATOM 514 CG1 ILE A 30 -5.891 4.776 1.129 1.00 0.68 C ATOM 515 CG2 ILE A 30 -5.491 6.704 2.716 1.00 0.71 C ATOM 516 CD1 ILE A 30 -5.271 3.731 2.051 1.00 0.78 C ATOM 0 H ILE A 30 -7.860 6.447 1.124 1.00 0.50 H new ATOM 0 HA ILE A 30 -5.609 8.166 0.544 1.00 0.54 H new ATOM 0 HB ILE A 30 -4.279 6.143 1.001 1.00 0.61 H new ATOM 0 HG12 ILE A 30 -6.965 4.806 1.313 1.00 0.68 H new ATOM 0 HG13 ILE A 30 -5.753 4.452 0.097 1.00 0.68 H new ATOM 0 HG21 ILE A 30 -4.991 6.018 3.399 1.00 0.71 H new ATOM 0 HG22 ILE A 30 -5.044 7.694 2.805 1.00 0.71 H new ATOM 0 HG23 ILE A 30 -6.550 6.760 2.968 1.00 0.71 H new ATOM 0 HD11 ILE A 30 -5.737 2.763 1.868 1.00 0.78 H new ATOM 0 HD12 ILE A 30 -4.201 3.662 1.855 1.00 0.78 H new ATOM 0 HD13 ILE A 30 -5.432 4.021 3.089 1.00 0.78 H new ATOM 528 N GLU A 31 -6.671 6.285 -1.879 1.00 0.59 N ATOM 529 CA GLU A 31 -6.688 6.258 -3.344 1.00 0.64 C ATOM 530 C GLU A 31 -6.990 7.644 -3.927 1.00 0.64 C ATOM 531 O GLU A 31 -6.303 8.061 -4.852 1.00 0.65 O ATOM 532 CB GLU A 31 -7.670 5.190 -3.873 1.00 0.73 C ATOM 533 CG GLU A 31 -8.065 5.425 -5.342 1.00 1.81 C ATOM 534 CD GLU A 31 -8.366 4.185 -6.189 1.00 2.07 C ATOM 535 OE1 GLU A 31 -8.778 3.133 -5.656 1.00 2.94 O ATOM 536 OE2 GLU A 31 -8.215 4.304 -7.429 1.00 2.71 O ATOM 0 H GLU A 31 -7.409 5.723 -1.454 1.00 0.59 H new ATOM 0 HA GLU A 31 -5.690 5.978 -3.681 1.00 0.64 H new ATOM 0 HB2 GLU A 31 -7.215 4.204 -3.776 1.00 0.73 H new ATOM 0 HB3 GLU A 31 -8.568 5.189 -3.255 1.00 0.73 H new ATOM 0 HG2 GLU A 31 -8.946 6.067 -5.357 1.00 1.81 H new ATOM 0 HG3 GLU A 31 -7.259 5.977 -5.825 1.00 1.81 H new ATOM 543 N LEU A 32 -7.978 8.385 -3.419 1.00 0.62 N ATOM 544 CA LEU A 32 -8.322 9.713 -3.929 1.00 0.62 C ATOM 545 C LEU A 32 -7.108 10.653 -3.891 1.00 0.60 C ATOM 546 O LEU A 32 -6.863 11.356 -4.869 1.00 0.63 O ATOM 547 CB LEU A 32 -9.522 10.272 -3.133 1.00 0.65 C ATOM 548 CG LEU A 32 -10.919 9.793 -3.583 1.00 0.74 C ATOM 549 CD1 LEU A 32 -11.967 10.400 -2.641 1.00 0.80 C ATOM 550 CD2 LEU A 32 -11.247 10.189 -5.031 1.00 0.84 C ATOM 0 H LEU A 32 -8.563 8.080 -2.641 1.00 0.62 H new ATOM 0 HA LEU A 32 -8.615 9.635 -4.976 1.00 0.62 H new ATOM 0 HB2 LEU A 32 -9.390 10.008 -2.084 1.00 0.65 H new ATOM 0 HB3 LEU A 32 -9.497 11.360 -3.193 1.00 0.65 H new ATOM 0 HG LEU A 32 -10.928 8.704 -3.541 1.00 0.74 H new ATOM 0 HD11 LEU A 32 -12.962 10.072 -2.944 1.00 0.80 H new ATOM 0 HD12 LEU A 32 -11.772 10.072 -1.620 1.00 0.80 H new ATOM 0 HD13 LEU A 32 -11.913 11.488 -2.689 1.00 0.80 H new ATOM 0 HD21 LEU A 32 -12.241 9.825 -5.291 1.00 0.84 H new ATOM 0 HD22 LEU A 32 -11.221 11.275 -5.126 1.00 0.84 H new ATOM 0 HD23 LEU A 32 -10.512 9.748 -5.704 1.00 0.84 H new ATOM 562 N GLN A 33 -6.301 10.619 -2.827 1.00 0.62 N ATOM 563 CA GLN A 33 -5.018 11.330 -2.754 1.00 0.63 C ATOM 564 C GLN A 33 -3.954 10.786 -3.738 1.00 0.54 C ATOM 565 O GLN A 33 -3.095 11.544 -4.181 1.00 0.64 O ATOM 566 CB GLN A 33 -4.504 11.328 -1.306 1.00 0.77 C ATOM 567 CG GLN A 33 -3.538 12.508 -1.091 1.00 1.06 C ATOM 568 CD GLN A 33 -2.992 12.631 0.329 1.00 1.56 C ATOM 569 OE1 GLN A 33 -2.864 13.721 0.870 1.00 2.21 O ATOM 570 NE2 GLN A 33 -2.629 11.549 0.984 1.00 3.13 N ATOM 0 H GLN A 33 -6.521 10.092 -1.982 1.00 0.62 H new ATOM 0 HA GLN A 33 -5.200 12.357 -3.070 1.00 0.63 H new ATOM 0 HB2 GLN A 33 -5.342 11.402 -0.613 1.00 0.77 H new ATOM 0 HB3 GLN A 33 -3.996 10.387 -1.092 1.00 0.77 H new ATOM 0 HG2 GLN A 33 -2.700 12.405 -1.781 1.00 1.06 H new ATOM 0 HG3 GLN A 33 -4.052 13.433 -1.350 1.00 1.06 H new ATOM 0 HE21 GLN A 33 -2.729 10.632 0.549 1.00 3.13 H new ATOM 0 HE22 GLN A 33 -2.248 11.627 1.927 1.00 3.13 H new ATOM 579 N ALA A 34 -3.968 9.499 -4.103 1.00 0.46 N ATOM 580 CA ALA A 34 -3.143 8.984 -5.203 1.00 0.45 C ATOM 581 C ALA A 34 -3.624 9.503 -6.577 1.00 0.45 C ATOM 582 O ALA A 34 -2.810 9.938 -7.394 1.00 0.48 O ATOM 583 CB ALA A 34 -3.122 7.450 -5.142 1.00 0.50 C ATOM 0 H ALA A 34 -4.545 8.791 -3.650 1.00 0.46 H new ATOM 0 HA ALA A 34 -2.125 9.354 -5.084 1.00 0.45 H new ATOM 0 HB1 ALA A 34 -2.511 7.062 -5.957 1.00 0.50 H new ATOM 0 HB2 ALA A 34 -2.702 7.129 -4.189 1.00 0.50 H new ATOM 0 HB3 ALA A 34 -4.138 7.068 -5.237 1.00 0.50 H new ATOM 589 N GLN A 35 -4.941 9.520 -6.825 1.00 0.49 N ATOM 590 CA GLN A 35 -5.527 10.056 -8.063 1.00 0.57 C ATOM 591 C GLN A 35 -5.263 11.567 -8.204 1.00 0.63 C ATOM 592 O GLN A 35 -5.014 12.056 -9.306 1.00 0.68 O ATOM 593 CB GLN A 35 -7.046 9.789 -8.150 1.00 0.71 C ATOM 594 CG GLN A 35 -7.505 8.336 -7.896 1.00 0.72 C ATOM 595 CD GLN A 35 -8.786 7.937 -8.641 1.00 1.37 C ATOM 596 OE1 GLN A 35 -9.525 8.752 -9.184 1.00 2.05 O ATOM 597 NE2 GLN A 35 -9.120 6.663 -8.706 1.00 1.83 N ATOM 0 H GLN A 35 -5.634 9.160 -6.169 1.00 0.49 H new ATOM 0 HA GLN A 35 -5.038 9.531 -8.884 1.00 0.57 H new ATOM 0 HB2 GLN A 35 -7.548 10.436 -7.431 1.00 0.71 H new ATOM 0 HB3 GLN A 35 -7.389 10.087 -9.141 1.00 0.71 H new ATOM 0 HG2 GLN A 35 -6.703 7.658 -8.188 1.00 0.72 H new ATOM 0 HG3 GLN A 35 -7.664 8.200 -6.826 1.00 0.72 H new ATOM 0 HE21 GLN A 35 -8.529 5.958 -8.266 1.00 1.83 H new ATOM 0 HE22 GLN A 35 -9.969 6.383 -9.196 1.00 1.83 H new ATOM 606 N GLN A 36 -5.264 12.301 -7.086 1.00 0.65 N ATOM 607 CA GLN A 36 -4.991 13.718 -6.936 1.00 0.75 C ATOM 608 C GLN A 36 -3.590 14.108 -7.438 1.00 0.73 C ATOM 609 O GLN A 36 -3.385 15.236 -7.888 1.00 0.84 O ATOM 610 CB GLN A 36 -5.158 13.915 -5.420 1.00 0.87 C ATOM 611 CG GLN A 36 -4.651 15.216 -4.849 1.00 2.67 C ATOM 612 CD GLN A 36 -4.920 15.411 -3.353 1.00 3.86 C ATOM 613 OE1 GLN A 36 -5.821 14.830 -2.761 1.00 4.19 O ATOM 614 NE2 GLN A 36 -4.156 16.246 -2.679 1.00 5.64 N ATOM 0 H GLN A 36 -5.476 11.870 -6.186 1.00 0.65 H new ATOM 0 HA GLN A 36 -5.647 14.354 -7.530 1.00 0.75 H new ATOM 0 HB2 GLN A 36 -6.218 13.827 -5.180 1.00 0.87 H new ATOM 0 HB3 GLN A 36 -4.647 13.097 -4.912 1.00 0.87 H new ATOM 0 HG2 GLN A 36 -3.576 15.278 -5.021 1.00 2.67 H new ATOM 0 HG3 GLN A 36 -5.109 16.040 -5.396 1.00 2.67 H new ATOM 0 HE21 GLN A 36 -3.400 16.741 -3.152 1.00 5.64 H new ATOM 0 HE22 GLN A 36 -4.321 16.398 -1.684 1.00 5.64 H new ATOM 623 N LEU A 37 -2.638 13.172 -7.383 1.00 0.64 N ATOM 624 CA LEU A 37 -1.252 13.340 -7.823 1.00 0.68 C ATOM 625 C LEU A 37 -1.019 12.807 -9.252 1.00 0.65 C ATOM 626 O LEU A 37 0.113 12.849 -9.736 1.00 0.73 O ATOM 627 CB LEU A 37 -0.356 12.650 -6.771 1.00 0.68 C ATOM 628 CG LEU A 37 -0.404 13.352 -5.395 1.00 0.72 C ATOM 629 CD1 LEU A 37 0.086 12.409 -4.291 1.00 1.12 C ATOM 630 CD2 LEU A 37 0.429 14.641 -5.395 1.00 1.42 C ATOM 0 H LEU A 37 -2.821 12.238 -7.015 1.00 0.64 H new ATOM 0 HA LEU A 37 -1.000 14.399 -7.888 1.00 0.68 H new ATOM 0 HB2 LEU A 37 -0.670 11.613 -6.656 1.00 0.68 H new ATOM 0 HB3 LEU A 37 0.673 12.634 -7.130 1.00 0.68 H new ATOM 0 HG LEU A 37 -1.442 13.619 -5.198 1.00 0.72 H new ATOM 0 HD11 LEU A 37 0.045 12.922 -3.330 1.00 1.12 H new ATOM 0 HD12 LEU A 37 -0.551 11.525 -4.258 1.00 1.12 H new ATOM 0 HD13 LEU A 37 1.113 12.109 -4.498 1.00 1.12 H new ATOM 0 HD21 LEU A 37 0.374 15.110 -4.413 1.00 1.42 H new ATOM 0 HD22 LEU A 37 1.467 14.403 -5.626 1.00 1.42 H new ATOM 0 HD23 LEU A 37 0.038 15.327 -6.147 1.00 1.42 H new ATOM 642 N GLU A 38 -2.072 12.313 -9.917 1.00 0.59 N ATOM 643 CA GLU A 38 -2.049 11.709 -11.258 1.00 0.60 C ATOM 644 C GLU A 38 -1.054 10.532 -11.347 1.00 0.56 C ATOM 645 O GLU A 38 -0.361 10.370 -12.354 1.00 0.69 O ATOM 646 CB GLU A 38 -1.812 12.759 -12.366 1.00 0.77 C ATOM 647 CG GLU A 38 -2.865 13.872 -12.393 1.00 1.72 C ATOM 648 CD GLU A 38 -2.774 14.669 -13.705 1.00 1.74 C ATOM 649 OE1 GLU A 38 -1.841 15.494 -13.859 1.00 2.53 O ATOM 650 OE2 GLU A 38 -3.637 14.479 -14.596 1.00 1.80 O ATOM 0 H GLU A 38 -3.010 12.324 -9.515 1.00 0.59 H new ATOM 0 HA GLU A 38 -3.041 11.293 -11.431 1.00 0.60 H new ATOM 0 HB2 GLU A 38 -0.827 13.205 -12.227 1.00 0.77 H new ATOM 0 HB3 GLU A 38 -1.801 12.257 -13.334 1.00 0.77 H new ATOM 0 HG2 GLU A 38 -3.861 13.441 -12.291 1.00 1.72 H new ATOM 0 HG3 GLU A 38 -2.718 14.540 -11.544 1.00 1.72 H new ATOM 657 N TYR A 39 -0.945 9.726 -10.279 1.00 0.52 N ATOM 658 CA TYR A 39 0.097 8.701 -10.141 1.00 0.56 C ATOM 659 C TYR A 39 0.038 7.661 -11.283 1.00 0.55 C ATOM 660 O TYR A 39 0.941 7.628 -12.122 1.00 0.61 O ATOM 661 CB TYR A 39 -0.006 8.074 -8.729 1.00 0.56 C ATOM 662 CG TYR A 39 1.252 8.167 -7.885 1.00 0.89 C ATOM 663 CD1 TYR A 39 1.780 9.419 -7.509 1.00 1.53 C ATOM 664 CD2 TYR A 39 1.883 6.992 -7.439 1.00 2.65 C ATOM 665 CE1 TYR A 39 2.941 9.488 -6.710 1.00 1.60 C ATOM 666 CE2 TYR A 39 3.058 7.051 -6.674 1.00 3.18 C ATOM 667 CZ TYR A 39 3.590 8.299 -6.305 1.00 2.02 C ATOM 668 OH TYR A 39 4.734 8.343 -5.575 1.00 2.64 O ATOM 0 H TYR A 39 -1.582 9.769 -9.483 1.00 0.52 H new ATOM 0 HA TYR A 39 1.081 9.160 -10.237 1.00 0.56 H new ATOM 0 HB2 TYR A 39 -0.821 8.560 -8.192 1.00 0.56 H new ATOM 0 HB3 TYR A 39 -0.276 7.023 -8.835 1.00 0.56 H new ATOM 0 HD1 TYR A 39 1.295 10.328 -7.833 1.00 1.53 H new ATOM 0 HD2 TYR A 39 1.458 6.031 -7.689 1.00 2.65 H new ATOM 0 HE1 TYR A 39 3.333 10.448 -6.408 1.00 1.60 H new ATOM 0 HE2 TYR A 39 3.552 6.140 -6.370 1.00 3.18 H new ATOM 0 HH TYR A 39 4.915 7.457 -5.196 1.00 2.64 H new ATOM 678 N ASP A 40 -1.050 6.879 -11.333 1.00 0.51 N ATOM 679 CA ASP A 40 -1.382 5.764 -12.247 1.00 0.51 C ATOM 680 C ASP A 40 -2.454 4.878 -11.592 1.00 0.49 C ATOM 681 O ASP A 40 -3.590 4.857 -12.065 1.00 0.63 O ATOM 682 CB ASP A 40 -0.139 4.970 -12.691 1.00 0.63 C ATOM 683 CG ASP A 40 -0.398 3.562 -13.237 1.00 0.67 C ATOM 684 OD1 ASP A 40 -1.078 3.453 -14.283 1.00 1.61 O ATOM 685 OD2 ASP A 40 0.149 2.601 -12.641 1.00 1.67 O ATOM 0 H ASP A 40 -1.805 7.024 -10.662 1.00 0.51 H new ATOM 0 HA ASP A 40 -1.790 6.177 -13.170 1.00 0.51 H new ATOM 0 HB2 ASP A 40 0.380 5.545 -13.458 1.00 0.63 H new ATOM 0 HB3 ASP A 40 0.538 4.889 -11.841 1.00 0.63 H new ATOM 690 N TYR A 41 -2.127 4.222 -10.470 1.00 0.46 N ATOM 691 CA TYR A 41 -3.028 3.320 -9.736 1.00 0.47 C ATOM 692 C TYR A 41 -2.685 3.192 -8.234 1.00 0.48 C ATOM 693 O TYR A 41 -1.569 3.467 -7.789 1.00 0.45 O ATOM 694 CB TYR A 41 -3.015 1.922 -10.382 1.00 0.46 C ATOM 695 CG TYR A 41 -3.625 1.768 -11.767 1.00 0.51 C ATOM 696 CD1 TYR A 41 -4.985 2.067 -11.990 1.00 1.26 C ATOM 697 CD2 TYR A 41 -2.850 1.245 -12.822 1.00 1.66 C ATOM 698 CE1 TYR A 41 -5.543 1.912 -13.275 1.00 1.23 C ATOM 699 CE2 TYR A 41 -3.395 1.102 -14.110 1.00 1.78 C ATOM 700 CZ TYR A 41 -4.743 1.455 -14.345 1.00 0.74 C ATOM 701 OH TYR A 41 -5.282 1.316 -15.589 1.00 0.88 O ATOM 0 H TYR A 41 -1.207 4.305 -10.037 1.00 0.46 H new ATOM 0 HA TYR A 41 -4.021 3.765 -9.799 1.00 0.47 H new ATOM 0 HB2 TYR A 41 -1.979 1.589 -10.435 1.00 0.46 H new ATOM 0 HB3 TYR A 41 -3.536 1.239 -9.710 1.00 0.46 H new ATOM 0 HD1 TYR A 41 -5.601 2.416 -11.174 1.00 1.26 H new ATOM 0 HD2 TYR A 41 -1.827 0.951 -12.639 1.00 1.66 H new ATOM 0 HE1 TYR A 41 -6.585 2.143 -13.442 1.00 1.23 H new ATOM 0 HE2 TYR A 41 -2.785 0.724 -14.917 1.00 1.78 H new ATOM 0 HH TYR A 41 -4.595 0.993 -16.209 1.00 0.88 H new ATOM 711 N TYR A 42 -3.658 2.725 -7.449 1.00 0.58 N ATOM 712 CA TYR A 42 -3.578 2.491 -6.000 1.00 0.66 C ATOM 713 C TYR A 42 -3.726 0.992 -5.659 1.00 0.57 C ATOM 714 O TYR A 42 -4.437 0.269 -6.357 1.00 0.52 O ATOM 715 CB TYR A 42 -4.705 3.298 -5.324 1.00 0.82 C ATOM 716 CG TYR A 42 -4.907 2.920 -3.870 1.00 1.61 C ATOM 717 CD1 TYR A 42 -4.110 3.516 -2.878 1.00 3.34 C ATOM 718 CD2 TYR A 42 -5.786 1.869 -3.537 1.00 2.65 C ATOM 719 CE1 TYR A 42 -4.125 3.009 -1.566 1.00 4.84 C ATOM 720 CE2 TYR A 42 -5.804 1.357 -2.229 1.00 4.06 C ATOM 721 CZ TYR A 42 -4.956 1.914 -1.249 1.00 4.94 C ATOM 722 OH TYR A 42 -4.917 1.370 -0.007 1.00 6.64 O ATOM 0 H TYR A 42 -4.575 2.486 -7.825 1.00 0.58 H new ATOM 0 HA TYR A 42 -2.601 2.811 -5.638 1.00 0.66 H new ATOM 0 HB2 TYR A 42 -4.474 4.361 -5.390 1.00 0.82 H new ATOM 0 HB3 TYR A 42 -5.636 3.140 -5.869 1.00 0.82 H new ATOM 0 HD1 TYR A 42 -3.486 4.363 -3.123 1.00 3.34 H new ATOM 0 HD2 TYR A 42 -6.445 1.458 -4.287 1.00 2.65 H new ATOM 0 HE1 TYR A 42 -3.503 3.456 -0.805 1.00 4.84 H new ATOM 0 HE2 TYR A 42 -6.464 0.541 -1.975 1.00 4.06 H new ATOM 0 HH TYR A 42 -4.114 1.681 0.461 1.00 6.64 H new ATOM 732 N SER A 43 -3.153 0.534 -4.543 1.00 0.62 N ATOM 733 CA SER A 43 -3.411 -0.796 -3.977 1.00 0.58 C ATOM 734 C SER A 43 -3.330 -0.858 -2.435 1.00 0.55 C ATOM 735 O SER A 43 -2.531 -0.167 -1.790 1.00 0.58 O ATOM 736 CB SER A 43 -2.443 -1.814 -4.593 1.00 0.65 C ATOM 737 OG SER A 43 -1.107 -1.489 -4.255 1.00 1.80 O ATOM 0 H SER A 43 -2.488 1.083 -3.999 1.00 0.62 H new ATOM 0 HA SER A 43 -4.443 -1.039 -4.230 1.00 0.58 H new ATOM 0 HB2 SER A 43 -2.682 -2.816 -4.236 1.00 0.65 H new ATOM 0 HB3 SER A 43 -2.558 -1.826 -5.677 1.00 0.65 H new ATOM 0 HG SER A 43 -1.061 -0.554 -3.967 1.00 1.80 H new ATOM 743 N LEU A 44 -4.131 -1.764 -1.860 1.00 0.51 N ATOM 744 CA LEU A 44 -4.138 -2.182 -0.458 1.00 0.49 C ATOM 745 C LEU A 44 -3.848 -3.688 -0.418 1.00 0.60 C ATOM 746 O LEU A 44 -4.335 -4.434 -1.272 1.00 0.77 O ATOM 747 CB LEU A 44 -5.540 -1.946 0.149 1.00 0.67 C ATOM 748 CG LEU A 44 -5.583 -2.069 1.691 1.00 0.74 C ATOM 749 CD1 LEU A 44 -5.171 -0.774 2.400 1.00 1.46 C ATOM 750 CD2 LEU A 44 -6.989 -2.452 2.143 1.00 1.38 C ATOM 0 H LEU A 44 -4.840 -2.257 -2.403 1.00 0.51 H new ATOM 0 HA LEU A 44 -3.395 -1.616 0.104 1.00 0.49 H new ATOM 0 HB2 LEU A 44 -5.887 -0.953 -0.137 1.00 0.67 H new ATOM 0 HB3 LEU A 44 -6.238 -2.663 -0.283 1.00 0.67 H new ATOM 0 HG LEU A 44 -4.865 -2.842 1.964 1.00 0.74 H new ATOM 0 HD11 LEU A 44 -5.220 -0.919 3.479 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -4.152 -0.511 2.115 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -5.848 0.030 2.111 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -7.011 -2.537 3.229 1.00 1.38 H new ATOM 0 HD22 LEU A 44 -7.695 -1.685 1.824 1.00 1.38 H new ATOM 0 HD23 LEU A 44 -7.266 -3.408 1.699 1.00 1.38 H new ATOM 762 N CYS A 45 -3.136 -4.145 0.610 1.00 0.61 N ATOM 763 CA CYS A 45 -3.118 -5.549 1.015 1.00 0.62 C ATOM 764 C CYS A 45 -3.413 -5.656 2.521 1.00 0.54 C ATOM 765 O CYS A 45 -3.023 -4.780 3.293 1.00 0.53 O ATOM 766 CB CYS A 45 -1.773 -6.167 0.607 1.00 0.73 C ATOM 767 SG CYS A 45 -1.885 -7.973 0.706 1.00 1.12 S ATOM 0 H CYS A 45 -2.550 -3.545 1.191 1.00 0.61 H new ATOM 0 HA CYS A 45 -3.899 -6.117 0.508 1.00 0.62 H new ATOM 0 HB2 CYS A 45 -1.513 -5.863 -0.407 1.00 0.73 H new ATOM 0 HB3 CYS A 45 -0.980 -5.804 1.261 1.00 0.73 H new ATOM 0 HG CYS A 45 -3.134 -8.327 0.775 1.00 1.12 H new ATOM 773 N VAL A 46 -4.100 -6.712 2.944 1.00 0.58 N ATOM 774 CA VAL A 46 -4.392 -7.020 4.354 1.00 0.67 C ATOM 775 C VAL A 46 -4.002 -8.469 4.637 1.00 0.88 C ATOM 776 O VAL A 46 -4.147 -9.316 3.754 1.00 1.05 O ATOM 777 CB VAL A 46 -5.879 -6.736 4.703 1.00 0.68 C ATOM 778 CG1 VAL A 46 -6.804 -7.964 4.644 1.00 1.93 C ATOM 779 CG2 VAL A 46 -5.995 -6.104 6.099 1.00 1.91 C ATOM 0 H VAL A 46 -4.484 -7.404 2.300 1.00 0.58 H new ATOM 0 HA VAL A 46 -3.801 -6.367 4.996 1.00 0.67 H new ATOM 0 HB VAL A 46 -6.217 -6.050 3.926 1.00 0.68 H new ATOM 0 HG11 VAL A 46 -7.820 -7.667 4.903 1.00 1.93 H new ATOM 0 HG12 VAL A 46 -6.793 -8.380 3.636 1.00 1.93 H new ATOM 0 HG13 VAL A 46 -6.455 -8.717 5.351 1.00 1.93 H new ATOM 0 HG21 VAL A 46 -7.044 -5.912 6.326 1.00 1.91 H new ATOM 0 HG22 VAL A 46 -5.582 -6.786 6.842 1.00 1.91 H new ATOM 0 HG23 VAL A 46 -5.442 -5.165 6.120 1.00 1.91 H new ATOM 789 N ARG A 47 -3.523 -8.758 5.851 1.00 0.90 N ATOM 790 CA ARG A 47 -3.095 -10.105 6.243 1.00 1.07 C ATOM 791 C ARG A 47 -3.235 -10.296 7.755 1.00 1.23 C ATOM 792 O ARG A 47 -2.756 -9.483 8.545 1.00 1.27 O ATOM 793 CB ARG A 47 -1.656 -10.342 5.743 1.00 1.21 C ATOM 794 CG ARG A 47 -1.337 -11.832 5.564 1.00 1.59 C ATOM 795 CD ARG A 47 0.033 -12.018 4.898 1.00 1.70 C ATOM 796 NE ARG A 47 0.232 -13.424 4.497 1.00 2.57 N ATOM 797 CZ ARG A 47 0.598 -13.869 3.299 1.00 3.20 C ATOM 798 NH1 ARG A 47 0.931 -13.058 2.316 1.00 3.66 N ATOM 799 NH2 ARG A 47 0.634 -15.164 3.069 1.00 4.09 N ATOM 0 H ARG A 47 -3.421 -8.063 6.591 1.00 0.90 H new ATOM 0 HA ARG A 47 -3.738 -10.853 5.780 1.00 1.07 H new ATOM 0 HB2 ARG A 47 -1.515 -9.826 4.793 1.00 1.21 H new ATOM 0 HB3 ARG A 47 -0.952 -9.905 6.451 1.00 1.21 H new ATOM 0 HG2 ARG A 47 -1.346 -12.330 6.534 1.00 1.59 H new ATOM 0 HG3 ARG A 47 -2.109 -12.304 4.956 1.00 1.59 H new ATOM 0 HD2 ARG A 47 0.109 -11.371 4.024 1.00 1.70 H new ATOM 0 HD3 ARG A 47 0.822 -11.716 5.587 1.00 1.70 H new ATOM 0 HE ARG A 47 0.072 -14.130 5.216 1.00 2.57 H new ATOM 0 HH11 ARG A 47 0.914 -12.048 2.460 1.00 3.66 H new ATOM 0 HH12 ARG A 47 1.206 -13.440 1.411 1.00 3.66 H new ATOM 0 HH21 ARG A 47 0.382 -15.820 3.808 1.00 4.09 H new ATOM 0 HH22 ARG A 47 0.914 -15.511 2.152 1.00 4.09 H new ATOM 813 N HIS A 48 -3.905 -11.367 8.171 1.00 1.34 N ATOM 814 CA HIS A 48 -4.273 -11.602 9.573 1.00 1.40 C ATOM 815 C HIS A 48 -3.950 -13.050 10.015 1.00 1.39 C ATOM 816 O HIS A 48 -4.575 -13.996 9.515 1.00 1.38 O ATOM 817 CB HIS A 48 -5.746 -11.220 9.843 1.00 1.46 C ATOM 818 CG HIS A 48 -6.695 -11.123 8.672 1.00 2.53 C ATOM 819 ND1 HIS A 48 -7.606 -10.111 8.488 1.00 3.48 N ATOM 820 CD2 HIS A 48 -6.847 -11.994 7.626 1.00 3.74 C ATOM 821 CE1 HIS A 48 -8.260 -10.339 7.337 1.00 4.95 C ATOM 822 NE2 HIS A 48 -7.833 -11.481 6.773 1.00 5.17 N ATOM 0 H HIS A 48 -4.213 -12.107 7.541 1.00 1.34 H new ATOM 0 HA HIS A 48 -3.659 -10.945 10.188 1.00 1.40 H new ATOM 0 HB2 HIS A 48 -6.155 -11.951 10.540 1.00 1.46 H new ATOM 0 HB3 HIS A 48 -5.750 -10.256 10.353 1.00 1.46 H new ATOM 0 HD1 HIS A 48 -7.759 -9.323 9.117 1.00 3.48 H new ATOM 0 HD2 HIS A 48 -6.302 -12.915 7.484 1.00 3.74 H new ATOM 0 HE1 HIS A 48 -9.022 -9.695 6.923 1.00 4.95 H new ATOM 830 N PRO A 49 -3.005 -13.250 10.961 1.00 1.45 N ATOM 831 CA PRO A 49 -2.520 -14.569 11.370 1.00 1.60 C ATOM 832 C PRO A 49 -3.469 -15.221 12.396 1.00 1.69 C ATOM 833 O PRO A 49 -3.064 -15.573 13.504 1.00 2.07 O ATOM 834 CB PRO A 49 -1.105 -14.300 11.903 1.00 1.71 C ATOM 835 CG PRO A 49 -1.255 -12.937 12.575 1.00 1.59 C ATOM 836 CD PRO A 49 -2.218 -12.216 11.634 1.00 1.43 C ATOM 0 HA PRO A 49 -2.492 -15.294 10.557 1.00 1.60 H new ATOM 0 HB2 PRO A 49 -0.785 -15.067 12.609 1.00 1.71 H new ATOM 0 HB3 PRO A 49 -0.367 -14.277 11.101 1.00 1.71 H new ATOM 0 HG2 PRO A 49 -1.659 -13.023 13.584 1.00 1.59 H new ATOM 0 HG3 PRO A 49 -0.301 -12.417 12.657 1.00 1.59 H new ATOM 0 HD2 PRO A 49 -2.866 -11.537 12.189 1.00 1.43 H new ATOM 0 HD3 PRO A 49 -1.671 -11.613 10.909 1.00 1.43 H new ATOM 844 N VAL A 50 -4.752 -15.354 12.043 1.00 1.53 N ATOM 845 CA VAL A 50 -5.795 -15.887 12.945 1.00 1.58 C ATOM 846 C VAL A 50 -5.550 -17.382 13.231 1.00 1.61 C ATOM 847 O VAL A 50 -5.318 -18.132 12.280 1.00 1.58 O ATOM 848 CB VAL A 50 -7.218 -15.714 12.367 1.00 1.55 C ATOM 849 CG1 VAL A 50 -8.310 -16.138 13.366 1.00 1.64 C ATOM 850 CG2 VAL A 50 -7.509 -14.270 11.952 1.00 1.69 C ATOM 0 H VAL A 50 -5.104 -15.096 11.121 1.00 1.53 H new ATOM 0 HA VAL A 50 -5.730 -15.312 13.869 1.00 1.58 H new ATOM 0 HB VAL A 50 -7.243 -16.362 11.491 1.00 1.55 H new ATOM 0 HG11 VAL A 50 -9.292 -15.998 12.913 1.00 1.64 H new ATOM 0 HG12 VAL A 50 -8.177 -17.188 13.626 1.00 1.64 H new ATOM 0 HG13 VAL A 50 -8.236 -15.529 14.267 1.00 1.64 H new ATOM 0 HG21 VAL A 50 -8.521 -14.203 11.553 1.00 1.69 H new ATOM 0 HG22 VAL A 50 -7.417 -13.617 12.820 1.00 1.69 H new ATOM 0 HG23 VAL A 50 -6.796 -13.960 11.188 1.00 1.69 H new ATOM 860 N PRO A 51 -5.621 -17.838 14.501 1.00 1.79 N ATOM 861 CA PRO A 51 -5.459 -19.247 14.858 1.00 1.89 C ATOM 862 C PRO A 51 -6.780 -20.042 14.874 1.00 1.72 C ATOM 863 O PRO A 51 -6.761 -21.258 14.690 1.00 1.77 O ATOM 864 CB PRO A 51 -4.797 -19.213 16.237 1.00 2.28 C ATOM 865 CG PRO A 51 -5.334 -17.936 16.880 1.00 2.35 C ATOM 866 CD PRO A 51 -5.631 -17.007 15.699 1.00 2.05 C ATOM 0 HA PRO A 51 -4.862 -19.772 14.112 1.00 1.89 H new ATOM 0 HB2 PRO A 51 -5.056 -20.094 16.825 1.00 2.28 H new ATOM 0 HB3 PRO A 51 -3.710 -19.192 16.156 1.00 2.28 H new ATOM 0 HG2 PRO A 51 -6.232 -18.134 17.465 1.00 2.35 H new ATOM 0 HG3 PRO A 51 -4.603 -17.495 17.558 1.00 2.35 H new ATOM 0 HD2 PRO A 51 -6.598 -16.519 15.824 1.00 2.05 H new ATOM 0 HD3 PRO A 51 -4.882 -16.218 15.629 1.00 2.05 H new ATOM 874 N PHE A 52 -7.923 -19.372 15.066 1.00 1.65 N ATOM 875 CA PHE A 52 -9.271 -19.971 15.086 1.00 1.64 C ATOM 876 C PHE A 52 -9.853 -20.270 13.690 1.00 1.57 C ATOM 877 O PHE A 52 -10.838 -21.005 13.580 1.00 1.75 O ATOM 878 CB PHE A 52 -10.218 -19.042 15.866 1.00 1.85 C ATOM 879 CG PHE A 52 -10.160 -19.249 17.365 1.00 1.93 C ATOM 880 CD1 PHE A 52 -9.150 -18.637 18.127 1.00 2.90 C ATOM 881 CD2 PHE A 52 -11.106 -20.081 17.996 1.00 2.31 C ATOM 882 CE1 PHE A 52 -9.082 -18.856 19.515 1.00 3.06 C ATOM 883 CE2 PHE A 52 -11.043 -20.295 19.384 1.00 2.58 C ATOM 884 CZ PHE A 52 -10.030 -19.684 20.144 1.00 2.44 C ATOM 0 H PHE A 52 -7.940 -18.363 15.217 1.00 1.65 H new ATOM 0 HA PHE A 52 -9.177 -20.940 15.576 1.00 1.64 H new ATOM 0 HB2 PHE A 52 -9.967 -18.006 15.639 1.00 1.85 H new ATOM 0 HB3 PHE A 52 -11.240 -19.205 15.523 1.00 1.85 H new ATOM 0 HD1 PHE A 52 -8.425 -17.997 17.646 1.00 2.90 H new ATOM 0 HD2 PHE A 52 -11.881 -20.555 17.412 1.00 2.31 H new ATOM 0 HE1 PHE A 52 -8.302 -18.389 20.098 1.00 3.06 H new ATOM 0 HE2 PHE A 52 -11.773 -20.929 19.866 1.00 2.58 H new ATOM 0 HZ PHE A 52 -9.980 -19.850 21.210 1.00 2.44 H new ATOM 894 N THR A 53 -9.249 -19.712 12.635 1.00 1.42 N ATOM 895 CA THR A 53 -9.610 -19.914 11.221 1.00 1.42 C ATOM 896 C THR A 53 -8.343 -20.138 10.398 1.00 1.28 C ATOM 897 O THR A 53 -7.243 -19.896 10.895 1.00 1.23 O ATOM 898 CB THR A 53 -10.474 -18.734 10.730 1.00 1.58 C ATOM 899 OG1 THR A 53 -11.439 -19.274 9.853 1.00 1.94 O ATOM 900 CG2 THR A 53 -9.743 -17.613 9.991 1.00 1.55 C ATOM 0 H THR A 53 -8.458 -19.077 12.745 1.00 1.42 H new ATOM 0 HA THR A 53 -10.220 -20.809 11.099 1.00 1.42 H new ATOM 0 HB THR A 53 -10.878 -18.262 11.626 1.00 1.58 H new ATOM 0 HG1 THR A 53 -12.014 -18.555 9.517 1.00 1.94 H new ATOM 0 HG21 THR A 53 -10.458 -16.844 9.698 1.00 1.55 H new ATOM 0 HG22 THR A 53 -8.989 -17.177 10.646 1.00 1.55 H new ATOM 0 HG23 THR A 53 -9.260 -18.018 9.102 1.00 1.55 H new ATOM 908 N ARG A 54 -8.461 -20.575 9.141 1.00 1.38 N ATOM 909 CA ARG A 54 -7.290 -20.665 8.254 1.00 1.33 C ATOM 910 C ARG A 54 -6.735 -19.252 7.969 1.00 1.10 C ATOM 911 O ARG A 54 -7.520 -18.364 7.616 1.00 1.16 O ATOM 912 CB ARG A 54 -7.621 -21.389 6.940 1.00 1.63 C ATOM 913 CG ARG A 54 -8.069 -22.853 7.101 1.00 2.13 C ATOM 914 CD ARG A 54 -7.009 -23.722 7.795 1.00 2.35 C ATOM 915 NE ARG A 54 -7.360 -25.151 7.743 1.00 2.88 N ATOM 916 CZ ARG A 54 -6.668 -26.146 8.290 1.00 3.25 C ATOM 917 NH1 ARG A 54 -5.569 -25.933 8.986 1.00 3.37 N ATOM 918 NH2 ARG A 54 -7.079 -27.387 8.139 1.00 3.79 N ATOM 0 H ARG A 54 -9.340 -20.869 8.716 1.00 1.38 H new ATOM 0 HA ARG A 54 -6.529 -21.255 8.765 1.00 1.33 H new ATOM 0 HB2 ARG A 54 -8.409 -20.838 6.427 1.00 1.63 H new ATOM 0 HB3 ARG A 54 -6.742 -21.362 6.296 1.00 1.63 H new ATOM 0 HG2 ARG A 54 -8.994 -22.885 7.677 1.00 2.13 H new ATOM 0 HG3 ARG A 54 -8.291 -23.271 6.119 1.00 2.13 H new ATOM 0 HD2 ARG A 54 -6.041 -23.567 7.318 1.00 2.35 H new ATOM 0 HD3 ARG A 54 -6.905 -23.410 8.834 1.00 2.35 H new ATOM 0 HE ARG A 54 -8.212 -25.401 7.241 1.00 2.88 H new ATOM 0 HH11 ARG A 54 -5.225 -24.982 9.118 1.00 3.37 H new ATOM 0 HH12 ARG A 54 -5.062 -26.719 9.392 1.00 3.37 H new ATOM 0 HH21 ARG A 54 -7.925 -27.582 7.604 1.00 3.79 H new ATOM 0 HH22 ARG A 54 -6.551 -28.153 8.557 1.00 3.79 H new ATOM 932 N PRO A 55 -5.415 -19.022 8.109 1.00 1.07 N ATOM 933 CA PRO A 55 -4.815 -17.706 7.935 1.00 1.09 C ATOM 934 C PRO A 55 -4.889 -17.311 6.459 1.00 1.11 C ATOM 935 O PRO A 55 -4.719 -18.150 5.572 1.00 1.18 O ATOM 936 CB PRO A 55 -3.383 -17.827 8.459 1.00 1.36 C ATOM 937 CG PRO A 55 -3.046 -19.302 8.239 1.00 1.49 C ATOM 938 CD PRO A 55 -4.391 -20.013 8.403 1.00 1.31 C ATOM 0 HA PRO A 55 -5.333 -16.918 8.482 1.00 1.09 H new ATOM 0 HB2 PRO A 55 -2.700 -17.174 7.916 1.00 1.36 H new ATOM 0 HB3 PRO A 55 -3.316 -17.553 9.512 1.00 1.36 H new ATOM 0 HG2 PRO A 55 -2.622 -19.472 7.249 1.00 1.49 H new ATOM 0 HG3 PRO A 55 -2.315 -19.658 8.965 1.00 1.49 H new ATOM 0 HD2 PRO A 55 -4.467 -20.863 7.725 1.00 1.31 H new ATOM 0 HD3 PRO A 55 -4.505 -20.401 9.415 1.00 1.31 H new ATOM 946 N LYS A 56 -5.178 -16.034 6.198 1.00 1.12 N ATOM 947 CA LYS A 56 -5.528 -15.550 4.857 1.00 1.16 C ATOM 948 C LYS A 56 -5.014 -14.128 4.559 1.00 0.89 C ATOM 949 O LYS A 56 -4.541 -13.410 5.447 1.00 0.89 O ATOM 950 CB LYS A 56 -7.052 -15.705 4.630 1.00 1.44 C ATOM 951 CG LYS A 56 -7.915 -14.818 5.543 1.00 1.97 C ATOM 952 CD LYS A 56 -9.379 -14.774 5.075 1.00 2.92 C ATOM 953 CE LYS A 56 -10.253 -13.872 5.960 1.00 4.76 C ATOM 954 NZ LYS A 56 -10.545 -14.472 7.286 1.00 5.59 N ATOM 0 H LYS A 56 -5.176 -15.304 6.910 1.00 1.12 H new ATOM 0 HA LYS A 56 -5.006 -16.174 4.131 1.00 1.16 H new ATOM 0 HB2 LYS A 56 -7.280 -15.469 3.591 1.00 1.44 H new ATOM 0 HB3 LYS A 56 -7.328 -16.748 4.788 1.00 1.44 H new ATOM 0 HG2 LYS A 56 -7.871 -15.196 6.565 1.00 1.97 H new ATOM 0 HG3 LYS A 56 -7.508 -13.807 5.559 1.00 1.97 H new ATOM 0 HD2 LYS A 56 -9.418 -14.415 4.046 1.00 2.92 H new ATOM 0 HD3 LYS A 56 -9.788 -15.784 5.076 1.00 2.92 H new ATOM 0 HE2 LYS A 56 -9.751 -12.915 6.102 1.00 4.76 H new ATOM 0 HE3 LYS A 56 -11.192 -13.666 5.445 1.00 4.76 H new ATOM 0 HZ1 LYS A 56 -11.339 -13.967 7.728 1.00 5.59 H new ATOM 0 HZ2 LYS A 56 -10.796 -15.474 7.166 1.00 5.59 H new ATOM 0 HZ3 LYS A 56 -9.705 -14.396 7.894 1.00 5.59 H new ATOM 968 N VAL A 57 -5.124 -13.744 3.287 1.00 0.78 N ATOM 969 CA VAL A 57 -4.670 -12.475 2.705 1.00 0.71 C ATOM 970 C VAL A 57 -5.755 -11.946 1.756 1.00 0.69 C ATOM 971 O VAL A 57 -6.403 -12.733 1.064 1.00 0.67 O ATOM 972 CB VAL A 57 -3.301 -12.667 1.997 1.00 0.77 C ATOM 973 CG1 VAL A 57 -3.378 -13.566 0.751 1.00 1.83 C ATOM 974 CG2 VAL A 57 -2.626 -11.341 1.619 1.00 2.09 C ATOM 0 H VAL A 57 -5.560 -14.347 2.589 1.00 0.78 H new ATOM 0 HA VAL A 57 -4.515 -11.732 3.487 1.00 0.71 H new ATOM 0 HB VAL A 57 -2.688 -13.169 2.745 1.00 0.77 H new ATOM 0 HG11 VAL A 57 -2.387 -13.657 0.306 1.00 1.83 H new ATOM 0 HG12 VAL A 57 -3.740 -14.554 1.037 1.00 1.83 H new ATOM 0 HG13 VAL A 57 -4.062 -13.125 0.026 1.00 1.83 H new ATOM 0 HG21 VAL A 57 -1.674 -11.544 1.128 1.00 2.09 H new ATOM 0 HG22 VAL A 57 -3.272 -10.784 0.941 1.00 2.09 H new ATOM 0 HG23 VAL A 57 -2.451 -10.752 2.519 1.00 2.09 H new ATOM 984 N ALA A 58 -5.961 -10.627 1.725 1.00 0.74 N ATOM 985 CA ALA A 58 -6.838 -9.956 0.759 1.00 0.75 C ATOM 986 C ALA A 58 -6.145 -8.725 0.163 1.00 0.68 C ATOM 987 O ALA A 58 -5.369 -8.051 0.845 1.00 0.63 O ATOM 988 CB ALA A 58 -8.172 -9.576 1.420 1.00 0.77 C ATOM 0 H ALA A 58 -5.517 -9.984 2.380 1.00 0.74 H new ATOM 0 HA ALA A 58 -7.050 -10.647 -0.057 1.00 0.75 H new ATOM 0 HB1 ALA A 58 -8.811 -9.079 0.690 1.00 0.77 H new ATOM 0 HB2 ALA A 58 -8.668 -10.476 1.783 1.00 0.77 H new ATOM 0 HB3 ALA A 58 -7.985 -8.903 2.256 1.00 0.77 H new ATOM 994 N PHE A 59 -6.453 -8.438 -1.102 1.00 0.73 N ATOM 995 CA PHE A 59 -5.894 -7.337 -1.884 1.00 0.67 C ATOM 996 C PHE A 59 -7.017 -6.587 -2.619 1.00 0.55 C ATOM 997 O PHE A 59 -7.924 -7.205 -3.177 1.00 0.61 O ATOM 998 CB PHE A 59 -4.815 -7.882 -2.846 1.00 0.70 C ATOM 999 CG PHE A 59 -5.239 -9.068 -3.704 1.00 0.81 C ATOM 1000 CD1 PHE A 59 -5.946 -8.861 -4.906 1.00 2.38 C ATOM 1001 CD2 PHE A 59 -4.953 -10.387 -3.290 1.00 1.47 C ATOM 1002 CE1 PHE A 59 -6.403 -9.958 -5.660 1.00 2.59 C ATOM 1003 CE2 PHE A 59 -5.415 -11.482 -4.041 1.00 1.41 C ATOM 1004 CZ PHE A 59 -6.147 -11.269 -5.221 1.00 1.23 C ATOM 0 H PHE A 59 -7.128 -8.990 -1.631 1.00 0.73 H new ATOM 0 HA PHE A 59 -5.411 -6.616 -1.224 1.00 0.67 H new ATOM 0 HB2 PHE A 59 -4.499 -7.073 -3.505 1.00 0.70 H new ATOM 0 HB3 PHE A 59 -3.944 -8.173 -2.259 1.00 0.70 H new ATOM 0 HD1 PHE A 59 -6.138 -7.855 -5.250 1.00 2.38 H new ATOM 0 HD2 PHE A 59 -4.377 -10.556 -2.392 1.00 1.47 H new ATOM 0 HE1 PHE A 59 -6.951 -9.793 -6.576 1.00 2.59 H new ATOM 0 HE2 PHE A 59 -5.207 -12.489 -3.710 1.00 1.41 H new ATOM 0 HZ PHE A 59 -6.513 -12.111 -5.790 1.00 1.23 H new ATOM 1014 N TYR A 60 -6.944 -5.252 -2.632 1.00 0.44 N ATOM 1015 CA TYR A 60 -7.919 -4.361 -3.283 1.00 0.42 C ATOM 1016 C TYR A 60 -7.183 -3.277 -4.084 1.00 0.42 C ATOM 1017 O TYR A 60 -6.188 -2.719 -3.609 1.00 0.45 O ATOM 1018 CB TYR A 60 -8.848 -3.703 -2.245 1.00 0.48 C ATOM 1019 CG TYR A 60 -9.551 -4.655 -1.292 1.00 0.51 C ATOM 1020 CD1 TYR A 60 -10.255 -5.772 -1.784 1.00 1.71 C ATOM 1021 CD2 TYR A 60 -9.488 -4.432 0.097 1.00 1.61 C ATOM 1022 CE1 TYR A 60 -10.828 -6.699 -0.895 1.00 1.72 C ATOM 1023 CE2 TYR A 60 -10.066 -5.349 0.994 1.00 1.66 C ATOM 1024 CZ TYR A 60 -10.728 -6.497 0.500 1.00 0.66 C ATOM 1025 OH TYR A 60 -11.273 -7.404 1.359 1.00 0.78 O ATOM 0 H TYR A 60 -6.185 -4.744 -2.178 1.00 0.44 H new ATOM 0 HA TYR A 60 -8.530 -4.960 -3.958 1.00 0.42 H new ATOM 0 HB2 TYR A 60 -8.262 -2.996 -1.657 1.00 0.48 H new ATOM 0 HB3 TYR A 60 -9.605 -3.126 -2.776 1.00 0.48 H new ATOM 0 HD1 TYR A 60 -10.355 -5.917 -2.850 1.00 1.71 H new ATOM 0 HD2 TYR A 60 -8.992 -3.551 0.477 1.00 1.61 H new ATOM 0 HE1 TYR A 60 -11.345 -7.566 -1.279 1.00 1.72 H new ATOM 0 HE2 TYR A 60 -10.004 -5.176 2.058 1.00 1.66 H new ATOM 0 HH TYR A 60 -11.115 -7.116 2.282 1.00 0.78 H new ATOM 1035 N THR A 61 -7.648 -2.987 -5.305 1.00 0.44 N ATOM 1036 CA THR A 61 -6.928 -2.162 -6.289 1.00 0.44 C ATOM 1037 C THR A 61 -7.806 -1.810 -7.485 1.00 0.49 C ATOM 1038 O THR A 61 -8.759 -2.521 -7.806 1.00 0.55 O ATOM 1039 CB THR A 61 -5.615 -2.845 -6.711 1.00 0.44 C ATOM 1040 OG1 THR A 61 -4.957 -2.034 -7.645 1.00 0.80 O ATOM 1041 CG2 THR A 61 -5.805 -4.218 -7.355 1.00 0.56 C ATOM 0 H THR A 61 -8.549 -3.323 -5.645 1.00 0.44 H new ATOM 0 HA THR A 61 -6.669 -1.217 -5.812 1.00 0.44 H new ATOM 0 HB THR A 61 -5.043 -2.985 -5.794 1.00 0.44 H new ATOM 0 HG1 THR A 61 -4.416 -2.594 -8.241 1.00 0.80 H new ATOM 0 HG21 THR A 61 -4.833 -4.632 -7.623 1.00 0.56 H new ATOM 0 HG22 THR A 61 -6.301 -4.885 -6.650 1.00 0.56 H new ATOM 0 HG23 THR A 61 -6.417 -4.118 -8.252 1.00 0.56 H new ATOM 1049 N ASN A 62 -7.458 -0.705 -8.142 1.00 0.52 N ATOM 1050 CA ASN A 62 -8.088 -0.197 -9.363 1.00 0.63 C ATOM 1051 C ASN A 62 -7.330 -0.632 -10.647 1.00 0.56 C ATOM 1052 O ASN A 62 -7.615 -0.143 -11.742 1.00 0.61 O ATOM 1053 CB ASN A 62 -8.194 1.331 -9.215 1.00 0.77 C ATOM 1054 CG ASN A 62 -9.402 1.952 -9.916 1.00 1.40 C ATOM 1055 OD1 ASN A 62 -10.058 1.369 -10.773 1.00 1.95 O ATOM 1056 ND2 ASN A 62 -9.751 3.165 -9.532 1.00 2.04 N ATOM 0 H ASN A 62 -6.693 -0.110 -7.824 1.00 0.52 H new ATOM 0 HA ASN A 62 -9.083 -0.626 -9.484 1.00 0.63 H new ATOM 0 HB2 ASN A 62 -8.238 1.579 -8.154 1.00 0.77 H new ATOM 0 HB3 ASN A 62 -7.286 1.786 -9.611 1.00 0.77 H new ATOM 0 HD21 ASN A 62 -10.565 3.617 -9.948 1.00 2.04 H new ATOM 0 HD22 ASN A 62 -9.206 3.651 -8.819 1.00 2.04 H new ATOM 1063 N TYR A 63 -6.345 -1.536 -10.525 1.00 0.50 N ATOM 1064 CA TYR A 63 -5.532 -2.077 -11.628 1.00 0.49 C ATOM 1065 C TYR A 63 -6.350 -2.671 -12.802 1.00 0.52 C ATOM 1066 O TYR A 63 -7.482 -3.131 -12.596 1.00 0.59 O ATOM 1067 CB TYR A 63 -4.612 -3.180 -11.066 1.00 0.46 C ATOM 1068 CG TYR A 63 -3.428 -2.785 -10.203 1.00 0.46 C ATOM 1069 CD1 TYR A 63 -2.830 -1.514 -10.287 1.00 1.94 C ATOM 1070 CD2 TYR A 63 -2.920 -3.731 -9.294 1.00 1.51 C ATOM 1071 CE1 TYR A 63 -1.781 -1.167 -9.419 1.00 1.97 C ATOM 1072 CE2 TYR A 63 -1.874 -3.386 -8.417 1.00 1.50 C ATOM 1073 CZ TYR A 63 -1.302 -2.095 -8.476 1.00 0.52 C ATOM 1074 OH TYR A 63 -0.291 -1.725 -7.645 1.00 0.61 O ATOM 0 H TYR A 63 -6.082 -1.926 -9.620 1.00 0.50 H new ATOM 0 HA TYR A 63 -4.975 -1.234 -12.037 1.00 0.49 H new ATOM 0 HB2 TYR A 63 -5.233 -3.859 -10.481 1.00 0.46 H new ATOM 0 HB3 TYR A 63 -4.227 -3.749 -11.912 1.00 0.46 H new ATOM 0 HD1 TYR A 63 -3.179 -0.803 -11.021 1.00 1.94 H new ATOM 0 HD2 TYR A 63 -3.335 -4.728 -9.269 1.00 1.51 H new ATOM 0 HE1 TYR A 63 -1.340 -0.183 -9.476 1.00 1.97 H new ATOM 0 HE2 TYR A 63 -1.509 -4.107 -7.700 1.00 1.50 H new ATOM 0 HH TYR A 63 -0.101 -2.453 -7.017 1.00 0.61 H new ATOM 1084 N PRO A 64 -5.772 -2.716 -14.025 1.00 0.50 N ATOM 1085 CA PRO A 64 -6.418 -3.281 -15.203 1.00 0.54 C ATOM 1086 C PRO A 64 -6.585 -4.793 -15.045 1.00 0.53 C ATOM 1087 O PRO A 64 -5.684 -5.479 -14.561 1.00 0.50 O ATOM 1088 CB PRO A 64 -5.530 -2.922 -16.402 1.00 0.57 C ATOM 1089 CG PRO A 64 -4.154 -2.652 -15.798 1.00 0.52 C ATOM 1090 CD PRO A 64 -4.459 -2.192 -14.376 1.00 0.48 C ATOM 0 HA PRO A 64 -7.421 -2.878 -15.346 1.00 0.54 H new ATOM 0 HB2 PRO A 64 -5.492 -3.737 -17.125 1.00 0.57 H new ATOM 0 HB3 PRO A 64 -5.910 -2.046 -16.928 1.00 0.57 H new ATOM 0 HG2 PRO A 64 -3.533 -3.548 -15.803 1.00 0.52 H new ATOM 0 HG3 PRO A 64 -3.615 -1.888 -16.358 1.00 0.52 H new ATOM 0 HD2 PRO A 64 -3.701 -2.557 -13.683 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -4.450 -1.104 -14.314 1.00 0.48 H new ATOM 1098 N GLU A 65 -7.733 -5.319 -15.480 1.00 0.55 N ATOM 1099 CA GLU A 65 -8.100 -6.726 -15.292 1.00 0.55 C ATOM 1100 C GLU A 65 -7.101 -7.696 -15.944 1.00 0.54 C ATOM 1101 O GLU A 65 -6.930 -8.813 -15.464 1.00 0.53 O ATOM 1102 CB GLU A 65 -9.528 -6.961 -15.812 1.00 0.61 C ATOM 1103 CG GLU A 65 -9.618 -7.038 -17.343 1.00 0.65 C ATOM 1104 CD GLU A 65 -11.078 -7.084 -17.815 1.00 0.81 C ATOM 1105 OE1 GLU A 65 -11.656 -8.194 -17.903 1.00 1.55 O ATOM 1106 OE2 GLU A 65 -11.657 -6.011 -18.109 1.00 1.90 O ATOM 0 H GLU A 65 -8.440 -4.777 -15.977 1.00 0.55 H new ATOM 0 HA GLU A 65 -8.066 -6.937 -14.223 1.00 0.55 H new ATOM 0 HB2 GLU A 65 -9.913 -7.888 -15.386 1.00 0.61 H new ATOM 0 HB3 GLU A 65 -10.172 -6.156 -15.458 1.00 0.61 H new ATOM 0 HG2 GLU A 65 -9.119 -6.175 -17.783 1.00 0.65 H new ATOM 0 HG3 GLU A 65 -9.091 -7.925 -17.696 1.00 0.65 H new ATOM 1113 N ALA A 66 -6.399 -7.267 -16.999 1.00 0.55 N ATOM 1114 CA ALA A 66 -5.357 -8.048 -17.662 1.00 0.55 C ATOM 1115 C ALA A 66 -4.142 -8.284 -16.747 1.00 0.49 C ATOM 1116 O ALA A 66 -3.622 -9.399 -16.697 1.00 0.49 O ATOM 1117 CB ALA A 66 -4.972 -7.313 -18.951 1.00 0.58 C ATOM 0 H ALA A 66 -6.544 -6.350 -17.421 1.00 0.55 H new ATOM 0 HA ALA A 66 -5.735 -9.042 -17.901 1.00 0.55 H new ATOM 0 HB1 ALA A 66 -4.194 -7.872 -19.470 1.00 0.58 H new ATOM 0 HB2 ALA A 66 -5.847 -7.225 -19.595 1.00 0.58 H new ATOM 0 HB3 ALA A 66 -4.601 -6.318 -18.705 1.00 0.58 H new ATOM 1123 N TRP A 67 -3.742 -7.272 -15.966 1.00 0.47 N ATOM 1124 CA TRP A 67 -2.677 -7.398 -14.967 1.00 0.42 C ATOM 1125 C TRP A 67 -3.180 -8.159 -13.734 1.00 0.39 C ATOM 1126 O TRP A 67 -2.488 -9.039 -13.226 1.00 0.38 O ATOM 1127 CB TRP A 67 -2.147 -6.011 -14.570 1.00 0.44 C ATOM 1128 CG TRP A 67 -1.173 -5.996 -13.426 1.00 0.41 C ATOM 1129 CD1 TRP A 67 -1.258 -5.181 -12.351 1.00 0.50 C ATOM 1130 CD2 TRP A 67 -0.001 -6.846 -13.184 1.00 0.45 C ATOM 1131 NE1 TRP A 67 -0.256 -5.479 -11.453 1.00 0.62 N ATOM 1132 CE2 TRP A 67 0.537 -6.509 -11.904 1.00 0.62 C ATOM 1133 CE3 TRP A 67 0.656 -7.885 -13.888 1.00 0.48 C ATOM 1134 CZ2 TRP A 67 1.636 -7.176 -11.345 1.00 0.83 C ATOM 1135 CZ3 TRP A 67 1.755 -8.562 -13.326 1.00 0.65 C ATOM 1136 CH2 TRP A 67 2.241 -8.214 -12.061 1.00 0.85 C ATOM 0 H TRP A 67 -4.151 -6.339 -16.011 1.00 0.47 H new ATOM 0 HA TRP A 67 -1.857 -7.966 -15.407 1.00 0.42 H new ATOM 0 HB2 TRP A 67 -1.667 -5.562 -15.439 1.00 0.44 H new ATOM 0 HB3 TRP A 67 -2.995 -5.377 -14.311 1.00 0.44 H new ATOM 0 HD1 TRP A 67 -2.002 -4.410 -12.216 1.00 0.50 H new ATOM 0 HE1 TRP A 67 -0.119 -4.996 -10.565 1.00 0.62 H new ATOM 0 HE3 TRP A 67 0.308 -8.162 -14.872 1.00 0.48 H new ATOM 0 HZ2 TRP A 67 2.011 -6.892 -10.373 1.00 0.83 H new ATOM 0 HZ3 TRP A 67 2.229 -9.360 -13.878 1.00 0.65 H new ATOM 0 HH2 TRP A 67 3.081 -8.745 -11.639 1.00 0.85 H new ATOM 1147 N VAL A 68 -4.401 -7.848 -13.290 1.00 0.42 N ATOM 1148 CA VAL A 68 -5.013 -8.460 -12.098 1.00 0.44 C ATOM 1149 C VAL A 68 -5.245 -9.959 -12.310 1.00 0.48 C ATOM 1150 O VAL A 68 -4.943 -10.754 -11.419 1.00 0.49 O ATOM 1151 CB VAL A 68 -6.327 -7.745 -11.705 1.00 0.47 C ATOM 1152 CG1 VAL A 68 -7.067 -8.411 -10.535 1.00 0.50 C ATOM 1153 CG2 VAL A 68 -6.063 -6.289 -11.294 1.00 0.48 C ATOM 0 H VAL A 68 -5.000 -7.161 -13.748 1.00 0.42 H new ATOM 0 HA VAL A 68 -4.314 -8.339 -11.270 1.00 0.44 H new ATOM 0 HB VAL A 68 -6.949 -7.805 -12.598 1.00 0.47 H new ATOM 0 HG11 VAL A 68 -7.978 -7.854 -10.317 1.00 0.50 H new ATOM 0 HG12 VAL A 68 -7.323 -9.436 -10.803 1.00 0.50 H new ATOM 0 HG13 VAL A 68 -6.425 -8.416 -9.654 1.00 0.50 H new ATOM 0 HG21 VAL A 68 -7.004 -5.811 -11.023 1.00 0.48 H new ATOM 0 HG22 VAL A 68 -5.387 -6.269 -10.439 1.00 0.48 H new ATOM 0 HG23 VAL A 68 -5.610 -5.752 -12.128 1.00 0.48 H new ATOM 1163 N SER A 69 -5.713 -10.362 -13.496 1.00 0.51 N ATOM 1164 CA SER A 69 -5.848 -11.782 -13.838 1.00 0.56 C ATOM 1165 C SER A 69 -4.480 -12.461 -13.930 1.00 0.55 C ATOM 1166 O SER A 69 -4.275 -13.499 -13.309 1.00 0.59 O ATOM 1167 CB SER A 69 -6.611 -11.961 -15.157 1.00 0.61 C ATOM 1168 OG SER A 69 -6.996 -13.316 -15.346 1.00 0.66 O ATOM 0 H SER A 69 -6.005 -9.724 -14.236 1.00 0.51 H new ATOM 0 HA SER A 69 -6.417 -12.257 -13.039 1.00 0.56 H new ATOM 0 HB2 SER A 69 -7.496 -11.325 -15.158 1.00 0.61 H new ATOM 0 HB3 SER A 69 -5.985 -11.638 -15.989 1.00 0.61 H new ATOM 0 HG SER A 69 -7.482 -13.403 -16.193 1.00 0.66 H new ATOM 1174 N TYR A 70 -3.512 -11.864 -14.632 1.00 0.52 N ATOM 1175 CA TYR A 70 -2.185 -12.447 -14.845 1.00 0.52 C ATOM 1176 C TYR A 70 -1.414 -12.681 -13.530 1.00 0.49 C ATOM 1177 O TYR A 70 -0.841 -13.754 -13.342 1.00 0.52 O ATOM 1178 CB TYR A 70 -1.437 -11.551 -15.835 1.00 0.53 C ATOM 1179 CG TYR A 70 -0.047 -12.023 -16.189 1.00 0.57 C ATOM 1180 CD1 TYR A 70 0.147 -13.097 -17.076 1.00 2.15 C ATOM 1181 CD2 TYR A 70 1.057 -11.354 -15.646 1.00 1.81 C ATOM 1182 CE1 TYR A 70 1.454 -13.503 -17.409 1.00 2.23 C ATOM 1183 CE2 TYR A 70 2.365 -11.736 -15.988 1.00 1.77 C ATOM 1184 CZ TYR A 70 2.569 -12.824 -16.866 1.00 0.70 C ATOM 1185 OH TYR A 70 3.831 -13.213 -17.199 1.00 0.78 O ATOM 0 H TYR A 70 -3.630 -10.952 -15.073 1.00 0.52 H new ATOM 0 HA TYR A 70 -2.285 -13.447 -15.267 1.00 0.52 H new ATOM 0 HB2 TYR A 70 -2.024 -11.475 -16.750 1.00 0.53 H new ATOM 0 HB3 TYR A 70 -1.369 -10.547 -15.416 1.00 0.53 H new ATOM 0 HD1 TYR A 70 -0.704 -13.609 -17.501 1.00 2.15 H new ATOM 0 HD2 TYR A 70 0.901 -10.536 -14.958 1.00 1.81 H new ATOM 0 HE1 TYR A 70 1.605 -14.335 -18.081 1.00 2.23 H new ATOM 0 HE2 TYR A 70 3.210 -11.201 -15.582 1.00 1.77 H new ATOM 0 HH TYR A 70 4.481 -12.641 -16.740 1.00 0.78 H new ATOM 1195 N TYR A 71 -1.464 -11.738 -12.581 1.00 0.43 N ATOM 1196 CA TYR A 71 -0.916 -11.898 -11.223 1.00 0.41 C ATOM 1197 C TYR A 71 -1.533 -13.107 -10.489 1.00 0.45 C ATOM 1198 O TYR A 71 -0.811 -13.885 -9.866 1.00 0.49 O ATOM 1199 CB TYR A 71 -1.171 -10.591 -10.442 1.00 0.41 C ATOM 1200 CG TYR A 71 -1.288 -10.687 -8.923 1.00 0.96 C ATOM 1201 CD1 TYR A 71 -0.142 -10.675 -8.100 1.00 1.39 C ATOM 1202 CD2 TYR A 71 -2.566 -10.728 -8.326 1.00 2.89 C ATOM 1203 CE1 TYR A 71 -0.273 -10.625 -6.697 1.00 1.66 C ATOM 1204 CE2 TYR A 71 -2.699 -10.615 -6.928 1.00 3.60 C ATOM 1205 CZ TYR A 71 -1.555 -10.472 -6.121 1.00 2.52 C ATOM 1206 OH TYR A 71 -1.704 -10.173 -4.799 1.00 3.31 O ATOM 0 H TYR A 71 -1.893 -10.826 -12.735 1.00 0.43 H new ATOM 0 HA TYR A 71 0.154 -12.094 -11.291 1.00 0.41 H new ATOM 0 HB2 TYR A 71 -0.362 -9.898 -10.674 1.00 0.41 H new ATOM 0 HB3 TYR A 71 -2.091 -10.146 -10.822 1.00 0.41 H new ATOM 0 HD1 TYR A 71 0.841 -10.704 -8.547 1.00 1.39 H new ATOM 0 HD2 TYR A 71 -3.445 -10.846 -8.943 1.00 2.89 H new ATOM 0 HE1 TYR A 71 0.600 -10.703 -6.066 1.00 1.66 H new ATOM 0 HE2 TYR A 71 -3.679 -10.638 -6.475 1.00 3.60 H new ATOM 0 HH TYR A 71 -2.647 -10.262 -4.548 1.00 3.31 H new ATOM 1216 N GLN A 72 -2.856 -13.287 -10.570 1.00 0.49 N ATOM 1217 CA GLN A 72 -3.556 -14.428 -9.973 1.00 0.57 C ATOM 1218 C GLN A 72 -3.325 -15.748 -10.721 1.00 0.64 C ATOM 1219 O GLN A 72 -3.288 -16.795 -10.079 1.00 0.74 O ATOM 1220 CB GLN A 72 -5.065 -14.120 -9.892 1.00 0.61 C ATOM 1221 CG GLN A 72 -5.494 -13.703 -8.475 1.00 0.77 C ATOM 1222 CD GLN A 72 -5.638 -14.855 -7.463 1.00 2.12 C ATOM 1223 OE1 GLN A 72 -6.192 -14.683 -6.386 1.00 2.32 O ATOM 1224 NE2 GLN A 72 -5.180 -16.067 -7.725 1.00 3.95 N ATOM 0 H GLN A 72 -3.476 -12.639 -11.056 1.00 0.49 H new ATOM 0 HA GLN A 72 -3.141 -14.568 -8.975 1.00 0.57 H new ATOM 0 HB2 GLN A 72 -5.310 -13.323 -10.594 1.00 0.61 H new ATOM 0 HB3 GLN A 72 -5.631 -15.000 -10.198 1.00 0.61 H new ATOM 0 HG2 GLN A 72 -4.765 -12.991 -8.088 1.00 0.77 H new ATOM 0 HG3 GLN A 72 -6.448 -13.179 -8.542 1.00 0.77 H new ATOM 0 HE21 GLN A 72 -4.711 -16.255 -8.611 1.00 3.95 H new ATOM 0 HE22 GLN A 72 -5.295 -16.815 -7.041 1.00 3.95 H new ATOM 1233 N ALA A 73 -3.189 -15.714 -12.049 1.00 0.64 N ATOM 1234 CA ALA A 73 -3.146 -16.886 -12.925 1.00 0.73 C ATOM 1235 C ALA A 73 -1.883 -17.744 -12.730 1.00 0.71 C ATOM 1236 O ALA A 73 -1.959 -18.972 -12.796 1.00 0.81 O ATOM 1237 CB ALA A 73 -3.271 -16.385 -14.373 1.00 0.84 C ATOM 0 H ALA A 73 -3.103 -14.837 -12.562 1.00 0.64 H new ATOM 0 HA ALA A 73 -3.973 -17.549 -12.672 1.00 0.73 H new ATOM 0 HB1 ALA A 73 -3.243 -17.234 -15.056 1.00 0.84 H new ATOM 0 HB2 ALA A 73 -4.215 -15.854 -14.494 1.00 0.84 H new ATOM 0 HB3 ALA A 73 -2.444 -15.711 -14.598 1.00 0.84 H new ATOM 1243 N LYS A 74 -0.734 -17.106 -12.466 1.00 0.71 N ATOM 1244 CA LYS A 74 0.533 -17.777 -12.113 1.00 0.86 C ATOM 1245 C LYS A 74 0.847 -17.681 -10.599 1.00 0.84 C ATOM 1246 O LYS A 74 1.885 -18.167 -10.146 1.00 0.98 O ATOM 1247 CB LYS A 74 1.723 -17.328 -13.011 1.00 1.11 C ATOM 1248 CG LYS A 74 1.557 -16.059 -13.862 1.00 1.42 C ATOM 1249 CD LYS A 74 0.685 -16.285 -15.109 1.00 1.59 C ATOM 1250 CE LYS A 74 1.533 -16.735 -16.307 1.00 1.97 C ATOM 1251 NZ LYS A 74 0.687 -17.096 -17.475 1.00 2.33 N ATOM 0 H LYS A 74 -0.654 -16.089 -12.491 1.00 0.71 H new ATOM 0 HA LYS A 74 0.390 -18.836 -12.326 1.00 0.86 H new ATOM 0 HB2 LYS A 74 2.590 -17.184 -12.366 1.00 1.11 H new ATOM 0 HB3 LYS A 74 1.960 -18.151 -13.685 1.00 1.11 H new ATOM 0 HG2 LYS A 74 1.112 -15.273 -13.251 1.00 1.42 H new ATOM 0 HG3 LYS A 74 2.540 -15.704 -14.172 1.00 1.42 H new ATOM 0 HD2 LYS A 74 -0.073 -17.038 -14.894 1.00 1.59 H new ATOM 0 HD3 LYS A 74 0.158 -15.364 -15.359 1.00 1.59 H new ATOM 0 HE2 LYS A 74 2.219 -15.936 -16.588 1.00 1.97 H new ATOM 0 HE3 LYS A 74 2.142 -17.592 -16.020 1.00 1.97 H new ATOM 0 HZ1 LYS A 74 1.294 -17.395 -18.265 1.00 2.33 H new ATOM 0 HZ2 LYS A 74 0.050 -17.875 -17.214 1.00 2.33 H new ATOM 0 HZ3 LYS A 74 0.124 -16.271 -17.764 1.00 2.33 H new ATOM 1265 N ASN A 75 -0.035 -17.045 -9.816 1.00 0.71 N ATOM 1266 CA ASN A 75 0.058 -16.864 -8.363 1.00 0.74 C ATOM 1267 C ASN A 75 1.325 -16.092 -7.944 1.00 0.60 C ATOM 1268 O ASN A 75 2.130 -16.558 -7.133 1.00 0.61 O ATOM 1269 CB ASN A 75 -0.131 -18.195 -7.619 1.00 1.06 C ATOM 1270 CG ASN A 75 -1.519 -18.793 -7.823 1.00 1.43 C ATOM 1271 OD1 ASN A 75 -1.707 -19.727 -8.594 1.00 1.79 O ATOM 1272 ND2 ASN A 75 -2.524 -18.276 -7.135 1.00 2.28 N ATOM 0 H ASN A 75 -0.878 -16.620 -10.202 1.00 0.71 H new ATOM 0 HA ASN A 75 -0.771 -16.226 -8.057 1.00 0.74 H new ATOM 0 HB2 ASN A 75 0.620 -18.907 -7.961 1.00 1.06 H new ATOM 0 HB3 ASN A 75 0.039 -18.038 -6.554 1.00 1.06 H new ATOM 0 HD21 ASN A 75 -3.465 -18.655 -7.244 1.00 2.28 H new ATOM 0 HD22 ASN A 75 -2.358 -17.499 -6.496 1.00 2.28 H new ATOM 1279 N PHE A 76 1.491 -14.872 -8.465 1.00 0.53 N ATOM 1280 CA PHE A 76 2.604 -13.979 -8.133 1.00 0.51 C ATOM 1281 C PHE A 76 2.529 -13.432 -6.699 1.00 0.59 C ATOM 1282 O PHE A 76 3.479 -12.808 -6.237 1.00 0.72 O ATOM 1283 CB PHE A 76 2.716 -12.878 -9.203 1.00 0.40 C ATOM 1284 CG PHE A 76 3.283 -13.279 -10.559 1.00 0.52 C ATOM 1285 CD1 PHE A 76 3.747 -14.586 -10.833 1.00 2.08 C ATOM 1286 CD2 PHE A 76 3.380 -12.293 -11.562 1.00 1.61 C ATOM 1287 CE1 PHE A 76 4.287 -14.895 -12.090 1.00 2.22 C ATOM 1288 CE2 PHE A 76 3.924 -12.606 -12.819 1.00 1.56 C ATOM 1289 CZ PHE A 76 4.354 -13.915 -13.089 1.00 0.86 C ATOM 0 H PHE A 76 0.843 -14.471 -9.142 1.00 0.53 H new ATOM 0 HA PHE A 76 3.527 -14.558 -8.147 1.00 0.51 H new ATOM 0 HB2 PHE A 76 1.722 -12.460 -9.363 1.00 0.40 H new ATOM 0 HB3 PHE A 76 3.337 -12.078 -8.800 1.00 0.40 H new ATOM 0 HD1 PHE A 76 3.685 -15.349 -10.072 1.00 2.08 H new ATOM 0 HD2 PHE A 76 3.034 -11.290 -11.363 1.00 1.61 H new ATOM 0 HE1 PHE A 76 4.652 -15.892 -12.289 1.00 2.22 H new ATOM 0 HE2 PHE A 76 4.011 -11.841 -13.576 1.00 1.56 H new ATOM 0 HZ PHE A 76 4.737 -14.167 -14.067 1.00 0.86 H new ATOM 1299 N LEU A 77 1.496 -13.786 -5.927 1.00 0.57 N ATOM 1300 CA LEU A 77 1.524 -13.718 -4.464 1.00 0.64 C ATOM 1301 C LEU A 77 2.685 -14.516 -3.831 1.00 0.67 C ATOM 1302 O LEU A 77 3.067 -14.233 -2.698 1.00 0.81 O ATOM 1303 CB LEU A 77 0.170 -14.187 -3.899 1.00 0.69 C ATOM 1304 CG LEU A 77 -1.009 -13.258 -4.230 1.00 0.90 C ATOM 1305 CD1 LEU A 77 -1.813 -13.717 -5.460 1.00 1.62 C ATOM 1306 CD2 LEU A 77 -1.982 -13.105 -3.056 1.00 1.15 C ATOM 0 H LEU A 77 0.612 -14.130 -6.303 1.00 0.57 H new ATOM 0 HA LEU A 77 1.700 -12.676 -4.197 1.00 0.64 H new ATOM 0 HB2 LEU A 77 -0.047 -15.182 -4.286 1.00 0.69 H new ATOM 0 HB3 LEU A 77 0.253 -14.278 -2.816 1.00 0.69 H new ATOM 0 HG LEU A 77 -0.542 -12.298 -4.448 1.00 0.90 H new ATOM 0 HD11 LEU A 77 -2.631 -13.020 -5.641 1.00 1.62 H new ATOM 0 HD12 LEU A 77 -1.160 -13.744 -6.332 1.00 1.62 H new ATOM 0 HD13 LEU A 77 -2.218 -14.712 -5.279 1.00 1.62 H new ATOM 0 HD21 LEU A 77 -2.796 -12.439 -3.342 1.00 1.15 H new ATOM 0 HD22 LEU A 77 -2.388 -14.081 -2.790 1.00 1.15 H new ATOM 0 HD23 LEU A 77 -1.455 -12.686 -2.199 1.00 1.15 H new ATOM 1318 N ALA A 78 3.282 -15.478 -4.546 1.00 0.60 N ATOM 1319 CA ALA A 78 4.494 -16.180 -4.115 1.00 0.64 C ATOM 1320 C ALA A 78 5.802 -15.401 -4.378 1.00 0.64 C ATOM 1321 O ALA A 78 6.830 -15.729 -3.781 1.00 0.65 O ATOM 1322 CB ALA A 78 4.521 -17.535 -4.832 1.00 0.67 C ATOM 0 H ALA A 78 2.931 -15.793 -5.451 1.00 0.60 H new ATOM 0 HA ALA A 78 4.451 -16.296 -3.032 1.00 0.64 H new ATOM 0 HB1 ALA A 78 5.413 -18.087 -4.534 1.00 0.67 H new ATOM 0 HB2 ALA A 78 3.633 -18.107 -4.562 1.00 0.67 H new ATOM 0 HB3 ALA A 78 4.536 -17.376 -5.910 1.00 0.67 H new ATOM 1328 N ILE A 79 5.793 -14.404 -5.276 1.00 0.65 N ATOM 1329 CA ILE A 79 7.010 -13.717 -5.772 1.00 0.67 C ATOM 1330 C ILE A 79 6.995 -12.188 -5.596 1.00 0.69 C ATOM 1331 O ILE A 79 8.051 -11.562 -5.675 1.00 0.71 O ATOM 1332 CB ILE A 79 7.339 -14.147 -7.222 1.00 0.71 C ATOM 1333 CG1 ILE A 79 6.324 -13.654 -8.278 1.00 0.87 C ATOM 1334 CG2 ILE A 79 7.493 -15.676 -7.319 1.00 0.61 C ATOM 1335 CD1 ILE A 79 6.944 -12.612 -9.203 1.00 0.97 C ATOM 0 H ILE A 79 4.932 -14.043 -5.687 1.00 0.65 H new ATOM 0 HA ILE A 79 7.825 -14.050 -5.129 1.00 0.67 H new ATOM 0 HB ILE A 79 8.285 -13.660 -7.456 1.00 0.71 H new ATOM 0 HG12 ILE A 79 5.969 -14.500 -8.867 1.00 0.87 H new ATOM 0 HG13 ILE A 79 5.455 -13.227 -7.778 1.00 0.87 H new ATOM 0 HG21 ILE A 79 7.724 -15.954 -8.347 1.00 0.61 H new ATOM 0 HG22 ILE A 79 8.301 -16.003 -6.665 1.00 0.61 H new ATOM 0 HG23 ILE A 79 6.563 -16.155 -7.014 1.00 0.61 H new ATOM 0 HD11 ILE A 79 6.203 -12.287 -9.933 1.00 0.97 H new ATOM 0 HD12 ILE A 79 7.275 -11.755 -8.616 1.00 0.97 H new ATOM 0 HD13 ILE A 79 7.798 -13.048 -9.722 1.00 0.97 H new ATOM 1347 N ASP A 80 5.843 -11.583 -5.297 1.00 0.68 N ATOM 1348 CA ASP A 80 5.718 -10.189 -4.876 1.00 0.69 C ATOM 1349 C ASP A 80 6.123 -10.052 -3.386 1.00 0.77 C ATOM 1350 O ASP A 80 5.514 -10.711 -2.535 1.00 0.91 O ATOM 1351 CB ASP A 80 4.271 -9.712 -5.112 1.00 0.76 C ATOM 1352 CG ASP A 80 4.108 -8.195 -4.927 1.00 1.12 C ATOM 1353 OD1 ASP A 80 4.807 -7.626 -4.062 1.00 2.10 O ATOM 1354 OD2 ASP A 80 3.282 -7.584 -5.640 1.00 1.97 O ATOM 0 H ASP A 80 4.946 -12.066 -5.343 1.00 0.68 H new ATOM 0 HA ASP A 80 6.387 -9.560 -5.464 1.00 0.69 H new ATOM 0 HB2 ASP A 80 3.963 -9.986 -6.121 1.00 0.76 H new ATOM 0 HB3 ASP A 80 3.605 -10.231 -4.423 1.00 0.76 H new ATOM 1359 N PRO A 81 7.112 -9.201 -3.041 1.00 0.80 N ATOM 1360 CA PRO A 81 7.559 -9.017 -1.665 1.00 0.95 C ATOM 1361 C PRO A 81 6.687 -8.039 -0.863 1.00 0.93 C ATOM 1362 O PRO A 81 6.798 -8.015 0.360 1.00 1.06 O ATOM 1363 CB PRO A 81 8.997 -8.509 -1.791 1.00 1.05 C ATOM 1364 CG PRO A 81 8.987 -7.713 -3.096 1.00 0.94 C ATOM 1365 CD PRO A 81 7.916 -8.389 -3.946 1.00 0.84 C ATOM 0 HA PRO A 81 7.486 -9.950 -1.107 1.00 0.95 H new ATOM 0 HB2 PRO A 81 9.277 -7.884 -0.943 1.00 1.05 H new ATOM 0 HB3 PRO A 81 9.711 -9.332 -1.829 1.00 1.05 H new ATOM 0 HG2 PRO A 81 8.750 -6.664 -2.919 1.00 0.94 H new ATOM 0 HG3 PRO A 81 9.960 -7.742 -3.586 1.00 0.94 H new ATOM 0 HD2 PRO A 81 7.298 -7.647 -4.452 1.00 0.84 H new ATOM 0 HD3 PRO A 81 8.370 -9.007 -4.720 1.00 0.84 H new ATOM 1373 N VAL A 82 5.828 -7.241 -1.511 1.00 0.80 N ATOM 1374 CA VAL A 82 5.058 -6.141 -0.896 1.00 0.76 C ATOM 1375 C VAL A 82 3.979 -6.644 0.092 1.00 0.85 C ATOM 1376 O VAL A 82 3.410 -5.862 0.848 1.00 0.93 O ATOM 1377 CB VAL A 82 4.428 -5.276 -2.017 1.00 0.71 C ATOM 1378 CG1 VAL A 82 3.472 -4.188 -1.529 1.00 2.38 C ATOM 1379 CG2 VAL A 82 5.472 -4.650 -2.969 1.00 1.83 C ATOM 0 H VAL A 82 5.641 -7.343 -2.509 1.00 0.80 H new ATOM 0 HA VAL A 82 5.746 -5.537 -0.304 1.00 0.76 H new ATOM 0 HB VAL A 82 3.834 -6.003 -2.572 1.00 0.71 H new ATOM 0 HG11 VAL A 82 3.082 -3.636 -2.384 1.00 2.38 H new ATOM 0 HG12 VAL A 82 2.646 -4.647 -0.986 1.00 2.38 H new ATOM 0 HG13 VAL A 82 4.005 -3.504 -0.869 1.00 2.38 H new ATOM 0 HG21 VAL A 82 4.962 -4.058 -3.729 1.00 1.83 H new ATOM 0 HG22 VAL A 82 6.145 -4.008 -2.400 1.00 1.83 H new ATOM 0 HG23 VAL A 82 6.046 -5.442 -3.450 1.00 1.83 H new ATOM 1389 N LEU A 83 3.708 -7.953 0.112 1.00 0.93 N ATOM 1390 CA LEU A 83 2.717 -8.611 0.974 1.00 1.15 C ATOM 1391 C LEU A 83 3.334 -9.571 2.012 1.00 1.37 C ATOM 1392 O LEU A 83 2.603 -10.316 2.671 1.00 1.60 O ATOM 1393 CB LEU A 83 1.659 -9.265 0.061 1.00 1.24 C ATOM 1394 CG LEU A 83 2.162 -10.217 -1.052 1.00 1.32 C ATOM 1395 CD1 LEU A 83 2.757 -11.524 -0.517 1.00 1.32 C ATOM 1396 CD2 LEU A 83 0.965 -10.548 -1.952 1.00 1.48 C ATOM 0 H LEU A 83 4.193 -8.612 -0.497 1.00 0.93 H new ATOM 0 HA LEU A 83 2.232 -7.865 1.604 1.00 1.15 H new ATOM 0 HB2 LEU A 83 0.968 -9.823 0.693 1.00 1.24 H new ATOM 0 HB3 LEU A 83 1.085 -8.468 -0.412 1.00 1.24 H new ATOM 0 HG LEU A 83 2.963 -9.710 -1.590 1.00 1.32 H new ATOM 0 HD11 LEU A 83 3.088 -12.141 -1.352 1.00 1.32 H new ATOM 0 HD12 LEU A 83 3.606 -11.300 0.128 1.00 1.32 H new ATOM 0 HD13 LEU A 83 2.000 -12.062 0.054 1.00 1.32 H new ATOM 0 HD21 LEU A 83 1.284 -11.219 -2.750 1.00 1.48 H new ATOM 0 HD22 LEU A 83 0.188 -11.032 -1.360 1.00 1.48 H new ATOM 0 HD23 LEU A 83 0.571 -9.629 -2.387 1.00 1.48 H new ATOM 1408 N ASN A 84 4.668 -9.585 2.130 1.00 1.40 N ATOM 1409 CA ASN A 84 5.434 -10.546 2.930 1.00 1.56 C ATOM 1410 C ASN A 84 6.374 -9.808 3.917 1.00 1.34 C ATOM 1411 O ASN A 84 7.334 -9.178 3.459 1.00 1.26 O ATOM 1412 CB ASN A 84 6.212 -11.456 1.955 1.00 1.82 C ATOM 1413 CG ASN A 84 6.306 -12.901 2.442 1.00 2.44 C ATOM 1414 OD1 ASN A 84 5.308 -13.525 2.788 1.00 3.19 O ATOM 1415 ND2 ASN A 84 7.493 -13.481 2.462 1.00 2.55 N ATOM 0 H ASN A 84 5.262 -8.905 1.655 1.00 1.40 H new ATOM 0 HA ASN A 84 4.770 -11.158 3.540 1.00 1.56 H new ATOM 0 HB2 ASN A 84 5.725 -11.437 0.980 1.00 1.82 H new ATOM 0 HB3 ASN A 84 7.217 -11.058 1.817 1.00 1.82 H new ATOM 0 HD21 ASN A 84 7.582 -14.451 2.766 1.00 2.55 H new ATOM 0 HD22 ASN A 84 8.321 -12.959 2.174 1.00 2.55 H new ATOM 1422 N PRO A 85 6.125 -9.838 5.247 1.00 1.31 N ATOM 1423 CA PRO A 85 6.780 -8.948 6.215 1.00 1.12 C ATOM 1424 C PRO A 85 8.302 -9.133 6.337 1.00 1.12 C ATOM 1425 O PRO A 85 8.986 -8.212 6.780 1.00 1.03 O ATOM 1426 CB PRO A 85 6.073 -9.198 7.553 1.00 1.15 C ATOM 1427 CG PRO A 85 5.475 -10.593 7.403 1.00 1.43 C ATOM 1428 CD PRO A 85 5.111 -10.638 5.922 1.00 1.52 C ATOM 0 HA PRO A 85 6.684 -7.917 5.875 1.00 1.12 H new ATOM 0 HB2 PRO A 85 6.772 -9.152 8.388 1.00 1.15 H new ATOM 0 HB3 PRO A 85 5.301 -8.452 7.742 1.00 1.15 H new ATOM 0 HG2 PRO A 85 6.190 -11.372 7.669 1.00 1.43 H new ATOM 0 HG3 PRO A 85 4.601 -10.731 8.040 1.00 1.43 H new ATOM 0 HD2 PRO A 85 5.108 -11.662 5.550 1.00 1.52 H new ATOM 0 HD3 PRO A 85 4.114 -10.233 5.751 1.00 1.52 H new ATOM 1436 N GLU A 86 8.848 -10.282 5.925 1.00 1.31 N ATOM 1437 CA GLU A 86 10.280 -10.603 5.996 1.00 1.44 C ATOM 1438 C GLU A 86 11.170 -9.664 5.161 1.00 1.36 C ATOM 1439 O GLU A 86 12.336 -9.460 5.502 1.00 1.47 O ATOM 1440 CB GLU A 86 10.521 -12.051 5.546 1.00 1.66 C ATOM 1441 CG GLU A 86 9.801 -13.086 6.422 1.00 1.94 C ATOM 1442 CD GLU A 86 8.500 -13.584 5.777 1.00 2.99 C ATOM 1443 OE1 GLU A 86 7.586 -12.754 5.562 1.00 3.95 O ATOM 1444 OE2 GLU A 86 8.395 -14.797 5.480 1.00 3.63 O ATOM 0 H GLU A 86 8.292 -11.036 5.522 1.00 1.31 H new ATOM 0 HA GLU A 86 10.563 -10.467 7.040 1.00 1.44 H new ATOM 0 HB2 GLU A 86 10.188 -12.164 4.514 1.00 1.66 H new ATOM 0 HB3 GLU A 86 11.592 -12.255 5.560 1.00 1.66 H new ATOM 0 HG2 GLU A 86 10.464 -13.933 6.601 1.00 1.94 H new ATOM 0 HG3 GLU A 86 9.578 -12.645 7.394 1.00 1.94 H new ATOM 1451 N ASN A 87 10.641 -9.082 4.075 1.00 1.21 N ATOM 1452 CA ASN A 87 11.398 -8.189 3.185 1.00 1.14 C ATOM 1453 C ASN A 87 11.484 -6.736 3.715 1.00 1.04 C ATOM 1454 O ASN A 87 12.354 -5.963 3.308 1.00 1.06 O ATOM 1455 CB ASN A 87 10.765 -8.248 1.781 1.00 1.07 C ATOM 1456 CG ASN A 87 11.816 -8.107 0.681 1.00 1.12 C ATOM 1457 OD1 ASN A 87 12.332 -7.032 0.407 1.00 2.04 O ATOM 1458 ND2 ASN A 87 12.182 -9.195 0.025 1.00 1.95 N ATOM 0 H ASN A 87 9.672 -9.218 3.788 1.00 1.21 H new ATOM 0 HA ASN A 87 12.430 -8.536 3.142 1.00 1.14 H new ATOM 0 HB2 ASN A 87 10.236 -9.193 1.660 1.00 1.07 H new ATOM 0 HB3 ASN A 87 10.025 -7.454 1.682 1.00 1.07 H new ATOM 0 HD21 ASN A 87 12.891 -9.136 -0.706 1.00 1.95 H new ATOM 0 HD22 ASN A 87 11.755 -10.094 0.249 1.00 1.95 H new ATOM 1465 N PHE A 88 10.593 -6.360 4.642 1.00 0.97 N ATOM 1466 CA PHE A 88 10.460 -5.014 5.209 1.00 0.91 C ATOM 1467 C PHE A 88 11.442 -4.793 6.373 1.00 1.01 C ATOM 1468 O PHE A 88 11.054 -4.646 7.532 1.00 1.04 O ATOM 1469 CB PHE A 88 8.998 -4.795 5.627 1.00 0.82 C ATOM 1470 CG PHE A 88 8.028 -4.748 4.469 1.00 0.69 C ATOM 1471 CD1 PHE A 88 7.463 -5.930 3.956 1.00 2.14 C ATOM 1472 CD2 PHE A 88 7.679 -3.507 3.914 1.00 1.76 C ATOM 1473 CE1 PHE A 88 6.521 -5.866 2.914 1.00 2.04 C ATOM 1474 CE2 PHE A 88 6.722 -3.439 2.892 1.00 1.85 C ATOM 1475 CZ PHE A 88 6.142 -4.615 2.393 1.00 0.59 C ATOM 0 H PHE A 88 9.916 -7.015 5.033 1.00 0.97 H new ATOM 0 HA PHE A 88 10.722 -4.272 4.455 1.00 0.91 H new ATOM 0 HB2 PHE A 88 8.701 -5.596 6.304 1.00 0.82 H new ATOM 0 HB3 PHE A 88 8.926 -3.862 6.186 1.00 0.82 H new ATOM 0 HD1 PHE A 88 7.753 -6.887 4.363 1.00 2.14 H new ATOM 0 HD2 PHE A 88 8.148 -2.604 4.275 1.00 1.76 H new ATOM 0 HE1 PHE A 88 6.090 -6.773 2.515 1.00 2.04 H new ATOM 0 HE2 PHE A 88 6.431 -2.480 2.488 1.00 1.85 H new ATOM 0 HZ PHE A 88 5.403 -4.560 1.607 1.00 0.59 H new ATOM 1485 N SER A 89 12.737 -4.762 6.070 1.00 1.09 N ATOM 1486 CA SER A 89 13.812 -4.754 7.084 1.00 1.15 C ATOM 1487 C SER A 89 13.921 -3.417 7.838 1.00 1.09 C ATOM 1488 O SER A 89 14.303 -3.386 9.009 1.00 1.26 O ATOM 1489 CB SER A 89 15.158 -5.069 6.413 1.00 1.26 C ATOM 1490 OG SER A 89 15.138 -6.332 5.755 1.00 1.35 O ATOM 0 H SER A 89 13.082 -4.741 5.110 1.00 1.09 H new ATOM 0 HA SER A 89 13.557 -5.518 7.818 1.00 1.15 H new ATOM 0 HB2 SER A 89 15.396 -4.287 5.692 1.00 1.26 H new ATOM 0 HB3 SER A 89 15.949 -5.062 7.163 1.00 1.26 H new ATOM 0 HG SER A 89 16.010 -6.498 5.339 1.00 1.35 H new ATOM 1496 N GLN A 90 13.539 -2.315 7.184 1.00 0.93 N ATOM 1497 CA GLN A 90 13.376 -0.981 7.778 1.00 0.89 C ATOM 1498 C GLN A 90 11.887 -0.634 8.006 1.00 0.85 C ATOM 1499 O GLN A 90 11.549 0.532 8.228 1.00 0.86 O ATOM 1500 CB GLN A 90 14.077 0.043 6.860 1.00 1.11 C ATOM 1501 CG GLN A 90 15.613 -0.014 6.953 1.00 1.11 C ATOM 1502 CD GLN A 90 16.156 0.344 8.343 1.00 1.75 C ATOM 1503 OE1 GLN A 90 16.936 -0.386 8.943 1.00 3.12 O ATOM 1504 NE2 GLN A 90 15.762 1.461 8.925 1.00 2.81 N ATOM 0 H GLN A 90 13.326 -2.327 6.187 1.00 0.93 H new ATOM 0 HA GLN A 90 13.838 -0.958 8.765 1.00 0.89 H new ATOM 0 HB2 GLN A 90 13.775 -0.136 5.828 1.00 1.11 H new ATOM 0 HB3 GLN A 90 13.740 1.046 7.121 1.00 1.11 H new ATOM 0 HG2 GLN A 90 15.948 -1.017 6.688 1.00 1.11 H new ATOM 0 HG3 GLN A 90 16.039 0.669 6.218 1.00 1.11 H new ATOM 0 HE21 GLN A 90 15.113 2.085 8.445 1.00 2.81 H new ATOM 0 HE22 GLN A 90 16.106 1.701 9.855 1.00 2.81 H new ATOM 1513 N GLY A 91 10.980 -1.617 7.911 1.00 0.82 N ATOM 1514 CA GLY A 91 9.525 -1.406 7.950 1.00 0.79 C ATOM 1515 C GLY A 91 8.964 -0.782 6.667 1.00 0.70 C ATOM 1516 O GLY A 91 7.828 -0.318 6.658 1.00 0.71 O ATOM 0 H GLY A 91 11.241 -2.597 7.803 1.00 0.82 H new ATOM 0 HA2 GLY A 91 9.032 -2.362 8.126 1.00 0.79 H new ATOM 0 HA3 GLY A 91 9.282 -0.762 8.795 1.00 0.79 H new ATOM 1520 N HIS A 92 9.753 -0.747 5.592 1.00 0.66 N ATOM 1521 CA HIS A 92 9.484 0.006 4.361 1.00 0.60 C ATOM 1522 C HIS A 92 10.088 -0.721 3.144 1.00 0.58 C ATOM 1523 O HIS A 92 10.986 -1.557 3.300 1.00 0.68 O ATOM 1524 CB HIS A 92 10.069 1.422 4.518 1.00 0.69 C ATOM 1525 CG HIS A 92 9.905 2.300 3.299 1.00 0.66 C ATOM 1526 ND1 HIS A 92 8.715 2.714 2.748 1.00 0.64 N ATOM 1527 CD2 HIS A 92 10.900 2.758 2.478 1.00 0.70 C ATOM 1528 CE1 HIS A 92 8.978 3.405 1.624 1.00 0.66 C ATOM 1529 NE2 HIS A 92 10.306 3.473 1.429 1.00 0.70 N ATOM 0 H HIS A 92 10.632 -1.262 5.551 1.00 0.66 H new ATOM 0 HA HIS A 92 8.410 0.080 4.191 1.00 0.60 H new ATOM 0 HB2 HIS A 92 9.591 1.908 5.369 1.00 0.69 H new ATOM 0 HB3 HIS A 92 11.130 1.340 4.753 1.00 0.69 H new ATOM 0 HD1 HIS A 92 7.787 2.528 3.128 1.00 0.64 H new ATOM 0 HD2 HIS A 92 11.959 2.596 2.615 1.00 0.70 H new ATOM 0 HE1 HIS A 92 8.233 3.840 0.975 1.00 0.66 H new ATOM 1537 N LEU A 93 9.593 -0.413 1.938 1.00 0.51 N ATOM 1538 CA LEU A 93 10.004 -1.051 0.689 1.00 0.51 C ATOM 1539 C LEU A 93 9.934 -0.066 -0.492 1.00 0.49 C ATOM 1540 O LEU A 93 9.044 0.782 -0.551 1.00 0.48 O ATOM 1541 CB LEU A 93 9.105 -2.288 0.488 1.00 0.55 C ATOM 1542 CG LEU A 93 9.627 -3.383 -0.453 1.00 0.57 C ATOM 1543 CD1 LEU A 93 10.895 -4.029 0.106 1.00 0.96 C ATOM 1544 CD2 LEU A 93 8.563 -4.479 -0.576 1.00 1.61 C ATOM 0 H LEU A 93 8.879 0.304 1.805 1.00 0.51 H new ATOM 0 HA LEU A 93 11.047 -1.365 0.738 1.00 0.51 H new ATOM 0 HB2 LEU A 93 8.925 -2.738 1.464 1.00 0.55 H new ATOM 0 HB3 LEU A 93 8.141 -1.948 0.110 1.00 0.55 H new ATOM 0 HG LEU A 93 9.847 -2.927 -1.418 1.00 0.57 H new ATOM 0 HD11 LEU A 93 11.243 -4.801 -0.580 1.00 0.96 H new ATOM 0 HD12 LEU A 93 11.669 -3.270 0.222 1.00 0.96 H new ATOM 0 HD13 LEU A 93 10.678 -4.477 1.076 1.00 0.96 H new ATOM 0 HD21 LEU A 93 8.923 -5.263 -1.243 1.00 1.61 H new ATOM 0 HD22 LEU A 93 8.362 -4.903 0.408 1.00 1.61 H new ATOM 0 HD23 LEU A 93 7.646 -4.052 -0.981 1.00 1.61 H new ATOM 1556 N MET A 94 10.866 -0.187 -1.439 1.00 0.50 N ATOM 1557 CA MET A 94 10.979 0.675 -2.629 1.00 0.48 C ATOM 1558 C MET A 94 11.160 -0.170 -3.887 1.00 0.51 C ATOM 1559 O MET A 94 11.926 -1.134 -3.880 1.00 0.60 O ATOM 1560 CB MET A 94 12.199 1.596 -2.488 1.00 0.55 C ATOM 1561 CG MET A 94 11.995 2.660 -1.412 1.00 0.88 C ATOM 1562 SD MET A 94 13.490 3.626 -1.102 1.00 1.03 S ATOM 1563 CE MET A 94 12.673 5.188 -0.734 1.00 0.68 C ATOM 0 H MET A 94 11.587 -0.907 -1.403 1.00 0.50 H new ATOM 0 HA MET A 94 10.065 1.263 -2.711 1.00 0.48 H new ATOM 0 HB2 MET A 94 13.077 0.998 -2.244 1.00 0.55 H new ATOM 0 HB3 MET A 94 12.399 2.081 -3.443 1.00 0.55 H new ATOM 0 HG2 MET A 94 11.190 3.329 -1.716 1.00 0.88 H new ATOM 0 HG3 MET A 94 11.678 2.180 -0.486 1.00 0.88 H new ATOM 0 HE1 MET A 94 13.139 5.987 -1.311 1.00 0.68 H new ATOM 0 HE2 MET A 94 11.618 5.118 -0.998 1.00 0.68 H new ATOM 0 HE3 MET A 94 12.767 5.406 0.330 1.00 0.68 H new ATOM 1573 N TRP A 95 10.488 0.201 -4.979 1.00 0.50 N ATOM 1574 CA TRP A 95 10.586 -0.534 -6.240 1.00 0.49 C ATOM 1575 C TRP A 95 11.849 -0.096 -7.000 1.00 0.53 C ATOM 1576 O TRP A 95 11.923 1.021 -7.519 1.00 0.54 O ATOM 1577 CB TRP A 95 9.331 -0.311 -7.107 1.00 0.46 C ATOM 1578 CG TRP A 95 7.970 -0.689 -6.586 1.00 0.43 C ATOM 1579 CD1 TRP A 95 7.606 -0.902 -5.300 1.00 0.50 C ATOM 1580 CD2 TRP A 95 6.735 -0.813 -7.360 1.00 0.41 C ATOM 1581 NE1 TRP A 95 6.243 -1.094 -5.221 1.00 0.49 N ATOM 1582 CE2 TRP A 95 5.646 -1.012 -6.459 1.00 0.47 C ATOM 1583 CE3 TRP A 95 6.420 -0.726 -8.735 1.00 0.44 C ATOM 1584 CZ2 TRP A 95 4.312 -1.063 -6.891 1.00 0.59 C ATOM 1585 CZ3 TRP A 95 5.086 -0.775 -9.181 1.00 0.59 C ATOM 1586 CH2 TRP A 95 4.032 -0.935 -8.263 1.00 0.66 C ATOM 0 H TRP A 95 9.868 1.010 -5.014 1.00 0.50 H new ATOM 0 HA TRP A 95 10.654 -1.599 -6.018 1.00 0.49 H new ATOM 0 HB2 TRP A 95 9.297 0.749 -7.359 1.00 0.46 H new ATOM 0 HB3 TRP A 95 9.482 -0.855 -8.039 1.00 0.46 H new ATOM 0 HD1 TRP A 95 8.284 -0.919 -4.459 1.00 0.50 H new ATOM 0 HE1 TRP A 95 5.739 -1.274 -4.353 1.00 0.49 H new ATOM 0 HE3 TRP A 95 7.217 -0.620 -9.456 1.00 0.44 H new ATOM 0 HZ2 TRP A 95 3.511 -1.199 -6.179 1.00 0.59 H new ATOM 0 HZ3 TRP A 95 4.870 -0.689 -10.236 1.00 0.59 H new ATOM 0 HH2 TRP A 95 3.010 -0.959 -8.611 1.00 0.66 H new ATOM 1597 N ASN A 96 12.822 -1.003 -7.094 1.00 0.60 N ATOM 1598 CA ASN A 96 14.034 -0.891 -7.910 1.00 0.61 C ATOM 1599 C ASN A 96 14.175 -2.136 -8.798 1.00 0.57 C ATOM 1600 O ASN A 96 13.705 -3.215 -8.435 1.00 0.59 O ATOM 1601 CB ASN A 96 15.271 -0.751 -7.000 1.00 0.77 C ATOM 1602 CG ASN A 96 15.430 0.625 -6.351 1.00 1.32 C ATOM 1603 OD1 ASN A 96 14.962 1.642 -6.847 1.00 1.73 O ATOM 1604 ND2 ASN A 96 16.132 0.702 -5.235 1.00 2.27 N ATOM 0 H ASN A 96 12.785 -1.881 -6.577 1.00 0.60 H new ATOM 0 HA ASN A 96 13.960 -0.006 -8.542 1.00 0.61 H new ATOM 0 HB2 ASN A 96 15.215 -1.505 -6.215 1.00 0.77 H new ATOM 0 HB3 ASN A 96 16.164 -0.967 -7.587 1.00 0.77 H new ATOM 0 HD21 ASN A 96 16.283 1.607 -4.789 1.00 2.27 H new ATOM 0 HD22 ASN A 96 16.523 -0.143 -4.819 1.00 2.27 H new ATOM 1611 N ASP A 97 14.869 -2.012 -9.933 1.00 0.57 N ATOM 1612 CA ASP A 97 15.146 -3.128 -10.850 1.00 0.57 C ATOM 1613 C ASP A 97 15.898 -4.287 -10.167 1.00 0.59 C ATOM 1614 O ASP A 97 15.689 -5.444 -10.517 1.00 0.63 O ATOM 1615 CB ASP A 97 15.975 -2.616 -12.038 1.00 0.59 C ATOM 1616 CG ASP A 97 15.207 -1.627 -12.923 1.00 1.14 C ATOM 1617 OD1 ASP A 97 15.135 -0.427 -12.564 1.00 1.97 O ATOM 1618 OD2 ASP A 97 14.701 -2.062 -13.985 1.00 2.13 O ATOM 0 H ASP A 97 15.260 -1.124 -10.247 1.00 0.57 H new ATOM 0 HA ASP A 97 14.185 -3.517 -11.186 1.00 0.57 H new ATOM 0 HB2 ASP A 97 16.878 -2.134 -11.663 1.00 0.59 H new ATOM 0 HB3 ASP A 97 16.295 -3.464 -12.643 1.00 0.59 H new ATOM 1623 N ASP A 98 16.741 -3.979 -9.174 1.00 0.63 N ATOM 1624 CA ASP A 98 17.472 -4.943 -8.339 1.00 0.70 C ATOM 1625 C ASP A 98 16.566 -5.665 -7.325 1.00 0.65 C ATOM 1626 O ASP A 98 16.645 -6.886 -7.190 1.00 0.73 O ATOM 1627 CB ASP A 98 18.590 -4.183 -7.616 1.00 0.80 C ATOM 1628 CG ASP A 98 19.328 -5.051 -6.583 1.00 2.63 C ATOM 1629 OD1 ASP A 98 20.196 -5.860 -6.987 1.00 3.52 O ATOM 1630 OD2 ASP A 98 19.049 -4.902 -5.370 1.00 3.97 O ATOM 0 H ASP A 98 16.941 -3.012 -8.919 1.00 0.63 H new ATOM 0 HA ASP A 98 17.880 -5.723 -8.982 1.00 0.70 H new ATOM 0 HB2 ASP A 98 19.305 -3.813 -8.350 1.00 0.80 H new ATOM 0 HB3 ASP A 98 18.167 -3.312 -7.116 1.00 0.80 H new ATOM 1635 N LEU A 99 15.668 -4.929 -6.657 1.00 0.59 N ATOM 1636 CA LEU A 99 14.641 -5.478 -5.759 1.00 0.59 C ATOM 1637 C LEU A 99 13.771 -6.483 -6.541 1.00 0.55 C ATOM 1638 O LEU A 99 13.515 -7.601 -6.092 1.00 0.64 O ATOM 1639 CB LEU A 99 13.832 -4.277 -5.205 1.00 0.59 C ATOM 1640 CG LEU A 99 12.928 -4.471 -3.965 1.00 0.64 C ATOM 1641 CD1 LEU A 99 12.150 -5.791 -3.890 1.00 1.82 C ATOM 1642 CD2 LEU A 99 13.747 -4.274 -2.686 1.00 1.51 C ATOM 0 H LEU A 99 15.634 -3.912 -6.727 1.00 0.59 H new ATOM 0 HA LEU A 99 15.069 -6.026 -4.919 1.00 0.59 H new ATOM 0 HB2 LEU A 99 14.544 -3.486 -4.969 1.00 0.59 H new ATOM 0 HB3 LEU A 99 13.201 -3.908 -6.014 1.00 0.59 H new ATOM 0 HG LEU A 99 12.157 -3.707 -4.069 1.00 0.64 H new ATOM 0 HD11 LEU A 99 11.553 -5.810 -2.978 1.00 1.82 H new ATOM 0 HD12 LEU A 99 11.493 -5.876 -4.755 1.00 1.82 H new ATOM 0 HD13 LEU A 99 12.850 -6.626 -3.883 1.00 1.82 H new ATOM 0 HD21 LEU A 99 13.104 -4.412 -1.817 1.00 1.51 H new ATOM 0 HD22 LEU A 99 14.557 -5.002 -2.657 1.00 1.51 H new ATOM 0 HD23 LEU A 99 14.164 -3.267 -2.672 1.00 1.51 H new ATOM 1654 N PHE A 100 13.387 -6.095 -7.758 1.00 0.53 N ATOM 1655 CA PHE A 100 12.533 -6.846 -8.673 1.00 0.60 C ATOM 1656 C PHE A 100 13.335 -7.824 -9.569 1.00 0.69 C ATOM 1657 O PHE A 100 12.769 -8.438 -10.473 1.00 0.85 O ATOM 1658 CB PHE A 100 11.695 -5.829 -9.478 1.00 0.62 C ATOM 1659 CG PHE A 100 10.481 -5.228 -8.767 1.00 0.64 C ATOM 1660 CD1 PHE A 100 10.561 -4.717 -7.455 1.00 1.44 C ATOM 1661 CD2 PHE A 100 9.241 -5.169 -9.430 1.00 1.32 C ATOM 1662 CE1 PHE A 100 9.428 -4.190 -6.810 1.00 1.45 C ATOM 1663 CE2 PHE A 100 8.109 -4.633 -8.794 1.00 1.36 C ATOM 1664 CZ PHE A 100 8.197 -4.146 -7.481 1.00 0.75 C ATOM 0 H PHE A 100 13.680 -5.200 -8.151 1.00 0.53 H new ATOM 0 HA PHE A 100 11.863 -7.494 -8.108 1.00 0.60 H new ATOM 0 HB2 PHE A 100 12.350 -5.013 -9.783 1.00 0.62 H new ATOM 0 HB3 PHE A 100 11.349 -6.317 -10.389 1.00 0.62 H new ATOM 0 HD1 PHE A 100 11.508 -4.731 -6.937 1.00 1.44 H new ATOM 0 HD2 PHE A 100 9.159 -5.541 -10.441 1.00 1.32 H new ATOM 0 HE1 PHE A 100 9.506 -3.819 -5.799 1.00 1.45 H new ATOM 0 HE2 PHE A 100 7.166 -4.596 -9.319 1.00 1.36 H new ATOM 0 HZ PHE A 100 7.324 -3.741 -6.991 1.00 0.75 H new ATOM 1674 N SER A 101 14.641 -8.006 -9.337 1.00 0.66 N ATOM 1675 CA SER A 101 15.511 -8.887 -10.141 1.00 0.79 C ATOM 1676 C SER A 101 15.233 -10.396 -9.944 1.00 0.82 C ATOM 1677 O SER A 101 15.643 -11.206 -10.778 1.00 0.92 O ATOM 1678 CB SER A 101 16.992 -8.526 -9.906 1.00 0.81 C ATOM 1679 OG SER A 101 17.871 -9.203 -10.798 1.00 0.98 O ATOM 0 H SER A 101 15.134 -7.541 -8.575 1.00 0.66 H new ATOM 0 HA SER A 101 15.268 -8.703 -11.188 1.00 0.79 H new ATOM 0 HB2 SER A 101 17.122 -7.450 -10.021 1.00 0.81 H new ATOM 0 HB3 SER A 101 17.263 -8.772 -8.879 1.00 0.81 H new ATOM 0 HG SER A 101 17.431 -10.008 -11.143 1.00 0.98 H new ATOM 1685 N GLU A 102 14.497 -10.793 -8.897 1.00 0.82 N ATOM 1686 CA GLU A 102 13.825 -12.106 -8.835 1.00 0.88 C ATOM 1687 C GLU A 102 12.407 -12.033 -9.429 1.00 0.88 C ATOM 1688 O GLU A 102 12.010 -12.901 -10.207 1.00 0.99 O ATOM 1689 CB GLU A 102 13.753 -12.621 -7.389 1.00 0.94 C ATOM 1690 CG GLU A 102 15.112 -13.122 -6.888 1.00 1.56 C ATOM 1691 CD GLU A 102 14.984 -13.778 -5.505 1.00 1.79 C ATOM 1692 OE1 GLU A 102 14.545 -14.952 -5.425 1.00 2.36 O ATOM 1693 OE2 GLU A 102 15.331 -13.132 -4.487 1.00 2.79 O ATOM 0 H GLU A 102 14.348 -10.217 -8.069 1.00 0.82 H new ATOM 0 HA GLU A 102 14.418 -12.802 -9.428 1.00 0.88 H new ATOM 0 HB2 GLU A 102 13.399 -11.822 -6.737 1.00 0.94 H new ATOM 0 HB3 GLU A 102 13.024 -13.429 -7.328 1.00 0.94 H new ATOM 0 HG2 GLU A 102 15.523 -13.840 -7.598 1.00 1.56 H new ATOM 0 HG3 GLU A 102 15.813 -12.289 -6.835 1.00 1.56 H new ATOM 1700 N ALA A 103 11.653 -10.973 -9.115 1.00 0.79 N ATOM 1701 CA ALA A 103 10.279 -10.731 -9.567 1.00 0.79 C ATOM 1702 C ALA A 103 10.172 -10.282 -11.045 1.00 0.83 C ATOM 1703 O ALA A 103 9.314 -9.475 -11.388 1.00 0.85 O ATOM 1704 CB ALA A 103 9.635 -9.732 -8.590 1.00 0.67 C ATOM 0 H ALA A 103 12.000 -10.227 -8.512 1.00 0.79 H new ATOM 0 HA ALA A 103 9.732 -11.674 -9.553 1.00 0.79 H new ATOM 0 HB1 ALA A 103 8.609 -9.530 -8.899 1.00 0.67 H new ATOM 0 HB2 ALA A 103 9.635 -10.155 -7.585 1.00 0.67 H new ATOM 0 HB3 ALA A 103 10.204 -8.802 -8.592 1.00 0.67 H new ATOM 1710 N GLN A 104 11.033 -10.787 -11.932 1.00 0.89 N ATOM 1711 CA GLN A 104 11.158 -10.355 -13.332 1.00 0.83 C ATOM 1712 C GLN A 104 9.855 -10.416 -14.155 1.00 0.72 C ATOM 1713 O GLN A 104 9.579 -9.431 -14.846 1.00 0.62 O ATOM 1714 CB GLN A 104 12.264 -11.155 -14.039 1.00 1.04 C ATOM 1715 CG GLN A 104 13.670 -10.815 -13.524 1.00 1.21 C ATOM 1716 CD GLN A 104 14.759 -11.657 -14.202 1.00 1.49 C ATOM 1717 OE1 GLN A 104 14.766 -11.876 -15.408 1.00 1.58 O ATOM 1718 NE2 GLN A 104 15.715 -12.172 -13.459 1.00 1.84 N ATOM 0 H GLN A 104 11.685 -11.533 -11.690 1.00 0.89 H new ATOM 0 HA GLN A 104 11.418 -9.298 -13.281 1.00 0.83 H new ATOM 0 HB2 GLN A 104 12.080 -12.220 -13.901 1.00 1.04 H new ATOM 0 HB3 GLN A 104 12.218 -10.960 -15.110 1.00 1.04 H new ATOM 0 HG2 GLN A 104 13.872 -9.758 -13.696 1.00 1.21 H new ATOM 0 HG3 GLN A 104 13.708 -10.975 -12.447 1.00 1.21 H new ATOM 0 HE21 GLN A 104 15.727 -12.002 -12.453 1.00 1.84 H new ATOM 0 HE22 GLN A 104 16.444 -12.742 -13.889 1.00 1.84 H new ATOM 1727 N PRO A 105 9.030 -11.490 -14.115 1.00 0.77 N ATOM 1728 CA PRO A 105 7.781 -11.531 -14.875 1.00 0.72 C ATOM 1729 C PRO A 105 6.687 -10.648 -14.269 1.00 0.64 C ATOM 1730 O PRO A 105 5.774 -10.257 -14.993 1.00 0.59 O ATOM 1731 CB PRO A 105 7.382 -13.003 -14.918 1.00 0.88 C ATOM 1732 CG PRO A 105 7.931 -13.550 -13.603 1.00 1.03 C ATOM 1733 CD PRO A 105 9.237 -12.772 -13.443 1.00 0.91 C ATOM 0 HA PRO A 105 7.919 -11.125 -15.877 1.00 0.72 H new ATOM 0 HB2 PRO A 105 6.301 -13.126 -14.985 1.00 0.88 H new ATOM 0 HB3 PRO A 105 7.815 -13.513 -15.779 1.00 0.88 H new ATOM 0 HG2 PRO A 105 7.248 -13.372 -12.772 1.00 1.03 H new ATOM 0 HG3 PRO A 105 8.102 -14.625 -13.650 1.00 1.03 H new ATOM 0 HD2 PRO A 105 9.477 -12.626 -12.390 1.00 0.91 H new ATOM 0 HD3 PRO A 105 10.071 -13.315 -13.888 1.00 0.91 H new ATOM 1741 N LEU A 106 6.792 -10.279 -12.986 1.00 0.69 N ATOM 1742 CA LEU A 106 5.948 -9.251 -12.380 1.00 0.63 C ATOM 1743 C LEU A 106 6.425 -7.858 -12.797 1.00 0.50 C ATOM 1744 O LEU A 106 5.601 -7.030 -13.176 1.00 0.48 O ATOM 1745 CB LEU A 106 5.894 -9.500 -10.858 1.00 0.85 C ATOM 1746 CG LEU A 106 5.309 -8.359 -9.994 1.00 0.64 C ATOM 1747 CD1 LEU A 106 4.362 -8.924 -8.925 1.00 1.59 C ATOM 1748 CD2 LEU A 106 6.428 -7.575 -9.298 1.00 1.08 C ATOM 0 H LEU A 106 7.468 -10.688 -12.341 1.00 0.69 H new ATOM 0 HA LEU A 106 4.921 -9.306 -12.740 1.00 0.63 H new ATOM 0 HB2 LEU A 106 5.305 -10.400 -10.680 1.00 0.85 H new ATOM 0 HB3 LEU A 106 6.906 -9.708 -10.510 1.00 0.85 H new ATOM 0 HG LEU A 106 4.758 -7.692 -10.657 1.00 0.64 H new ATOM 0 HD11 LEU A 106 3.960 -8.107 -8.326 1.00 1.59 H new ATOM 0 HD12 LEU A 106 3.543 -9.456 -9.409 1.00 1.59 H new ATOM 0 HD13 LEU A 106 4.910 -9.611 -8.280 1.00 1.59 H new ATOM 0 HD21 LEU A 106 5.993 -6.777 -8.696 1.00 1.08 H new ATOM 0 HD22 LEU A 106 6.997 -8.246 -8.655 1.00 1.08 H new ATOM 0 HD23 LEU A 106 7.091 -7.143 -10.048 1.00 1.08 H new ATOM 1760 N TRP A 107 7.737 -7.615 -12.828 1.00 0.53 N ATOM 1761 CA TRP A 107 8.327 -6.353 -13.266 1.00 0.51 C ATOM 1762 C TRP A 107 8.009 -6.069 -14.738 1.00 0.47 C ATOM 1763 O TRP A 107 7.528 -4.987 -15.059 1.00 0.45 O ATOM 1764 CB TRP A 107 9.843 -6.391 -13.024 1.00 0.63 C ATOM 1765 CG TRP A 107 10.628 -5.120 -13.232 1.00 0.71 C ATOM 1766 CD1 TRP A 107 11.973 -5.100 -13.385 1.00 0.86 C ATOM 1767 CD2 TRP A 107 10.201 -3.714 -13.370 1.00 1.00 C ATOM 1768 NE1 TRP A 107 12.403 -3.817 -13.651 1.00 1.10 N ATOM 1769 CE2 TRP A 107 11.352 -2.937 -13.708 1.00 1.17 C ATOM 1770 CE3 TRP A 107 8.981 -2.997 -13.276 1.00 1.35 C ATOM 1771 CZ2 TRP A 107 11.290 -1.573 -14.022 1.00 1.55 C ATOM 1772 CZ3 TRP A 107 8.905 -1.627 -13.592 1.00 1.72 C ATOM 1773 CH2 TRP A 107 10.053 -0.922 -13.991 1.00 1.79 C ATOM 0 H TRP A 107 8.431 -8.306 -12.543 1.00 0.53 H new ATOM 0 HA TRP A 107 7.893 -5.540 -12.685 1.00 0.51 H new ATOM 0 HB2 TRP A 107 10.009 -6.721 -11.998 1.00 0.63 H new ATOM 0 HB3 TRP A 107 10.266 -7.155 -13.677 1.00 0.63 H new ATOM 0 HD1 TRP A 107 12.616 -5.964 -13.310 1.00 0.86 H new ATOM 0 HE1 TRP A 107 13.379 -3.555 -13.788 1.00 1.10 H new ATOM 0 HE3 TRP A 107 8.089 -3.514 -12.954 1.00 1.35 H new ATOM 0 HZ2 TRP A 107 12.187 -1.031 -14.285 1.00 1.55 H new ATOM 0 HZ3 TRP A 107 7.957 -1.114 -13.527 1.00 1.72 H new ATOM 0 HH2 TRP A 107 9.980 0.118 -14.272 1.00 1.79 H new ATOM 1784 N GLU A 108 8.221 -7.041 -15.632 1.00 0.48 N ATOM 1785 CA GLU A 108 8.003 -6.844 -17.067 1.00 0.47 C ATOM 1786 C GLU A 108 6.517 -6.634 -17.381 1.00 0.40 C ATOM 1787 O GLU A 108 6.165 -5.722 -18.129 1.00 0.42 O ATOM 1788 CB GLU A 108 8.579 -8.022 -17.869 1.00 0.53 C ATOM 1789 CG GLU A 108 8.542 -7.721 -19.377 1.00 0.67 C ATOM 1790 CD GLU A 108 9.339 -8.746 -20.200 1.00 1.77 C ATOM 1791 OE1 GLU A 108 9.023 -9.958 -20.145 1.00 3.09 O ATOM 1792 OE2 GLU A 108 10.275 -8.339 -20.929 1.00 2.24 O ATOM 0 H GLU A 108 8.545 -7.976 -15.384 1.00 0.48 H new ATOM 0 HA GLU A 108 8.531 -5.939 -17.367 1.00 0.47 H new ATOM 0 HB2 GLU A 108 9.605 -8.214 -17.556 1.00 0.53 H new ATOM 0 HB3 GLU A 108 8.007 -8.926 -17.659 1.00 0.53 H new ATOM 0 HG2 GLU A 108 7.507 -7.712 -19.717 1.00 0.67 H new ATOM 0 HG3 GLU A 108 8.945 -6.724 -19.556 1.00 0.67 H new ATOM 1799 N ALA A 109 5.636 -7.435 -16.773 1.00 0.39 N ATOM 1800 CA ALA A 109 4.192 -7.284 -16.925 1.00 0.39 C ATOM 1801 C ALA A 109 3.697 -5.938 -16.383 1.00 0.36 C ATOM 1802 O ALA A 109 2.943 -5.244 -17.061 1.00 0.42 O ATOM 1803 CB ALA A 109 3.515 -8.464 -16.244 1.00 0.48 C ATOM 0 H ALA A 109 5.908 -8.205 -16.162 1.00 0.39 H new ATOM 0 HA ALA A 109 3.933 -7.283 -17.984 1.00 0.39 H new ATOM 0 HB1 ALA A 109 2.434 -8.371 -16.346 1.00 0.48 H new ATOM 0 HB2 ALA A 109 3.845 -9.392 -16.711 1.00 0.48 H new ATOM 0 HB3 ALA A 109 3.780 -8.475 -15.187 1.00 0.48 H new ATOM 1809 N ALA A 110 4.150 -5.526 -15.200 1.00 0.32 N ATOM 1810 CA ALA A 110 3.810 -4.231 -14.620 1.00 0.33 C ATOM 1811 C ALA A 110 4.289 -3.078 -15.529 1.00 0.36 C ATOM 1812 O ALA A 110 3.496 -2.209 -15.898 1.00 0.45 O ATOM 1813 CB ALA A 110 4.401 -4.217 -13.200 1.00 0.34 C ATOM 0 H ALA A 110 4.768 -6.087 -14.614 1.00 0.32 H new ATOM 0 HA ALA A 110 2.733 -4.078 -14.547 1.00 0.33 H new ATOM 0 HB1 ALA A 110 4.173 -3.265 -12.721 1.00 0.34 H new ATOM 0 HB2 ALA A 110 3.967 -5.030 -12.617 1.00 0.34 H new ATOM 0 HB3 ALA A 110 5.482 -4.347 -13.254 1.00 0.34 H new ATOM 1819 N ARG A 111 5.538 -3.142 -16.002 1.00 0.38 N ATOM 1820 CA ARG A 111 6.148 -2.184 -16.939 1.00 0.51 C ATOM 1821 C ARG A 111 5.389 -2.098 -18.274 1.00 0.59 C ATOM 1822 O ARG A 111 5.287 -1.017 -18.854 1.00 0.80 O ATOM 1823 CB ARG A 111 7.622 -2.598 -17.127 1.00 0.64 C ATOM 1824 CG ARG A 111 8.501 -1.664 -17.982 1.00 0.92 C ATOM 1825 CD ARG A 111 8.954 -2.297 -19.308 1.00 1.36 C ATOM 1826 NE ARG A 111 7.891 -2.284 -20.330 1.00 2.80 N ATOM 1827 CZ ARG A 111 7.793 -3.093 -21.381 1.00 3.87 C ATOM 1828 NH1 ARG A 111 8.630 -4.089 -21.587 1.00 3.81 N ATOM 1829 NH2 ARG A 111 6.838 -2.898 -22.266 1.00 5.47 N ATOM 0 H ARG A 111 6.179 -3.889 -15.735 1.00 0.38 H new ATOM 0 HA ARG A 111 6.092 -1.177 -16.526 1.00 0.51 H new ATOM 0 HB2 ARG A 111 8.079 -2.687 -16.141 1.00 0.64 H new ATOM 0 HB3 ARG A 111 7.642 -3.590 -17.578 1.00 0.64 H new ATOM 0 HG2 ARG A 111 7.947 -0.750 -18.195 1.00 0.92 H new ATOM 0 HG3 ARG A 111 9.381 -1.377 -17.406 1.00 0.92 H new ATOM 0 HD2 ARG A 111 9.824 -1.759 -19.686 1.00 1.36 H new ATOM 0 HD3 ARG A 111 9.268 -3.325 -19.128 1.00 1.36 H new ATOM 0 HE ARG A 111 7.157 -1.584 -20.220 1.00 2.80 H new ATOM 0 HH11 ARG A 111 9.388 -4.263 -20.927 1.00 3.81 H new ATOM 0 HH12 ARG A 111 8.520 -4.687 -22.406 1.00 3.81 H new ATOM 0 HH21 ARG A 111 6.178 -2.130 -22.144 1.00 5.47 H new ATOM 0 HH22 ARG A 111 6.758 -3.515 -23.074 1.00 5.47 H new ATOM 1843 N ALA A 112 4.854 -3.218 -18.765 1.00 0.51 N ATOM 1844 CA ALA A 112 3.988 -3.301 -19.944 1.00 0.56 C ATOM 1845 C ALA A 112 2.607 -2.661 -19.722 1.00 0.60 C ATOM 1846 O ALA A 112 2.123 -1.910 -20.568 1.00 0.70 O ATOM 1847 CB ALA A 112 3.870 -4.778 -20.342 1.00 0.54 C ATOM 0 H ALA A 112 5.019 -4.128 -18.335 1.00 0.51 H new ATOM 0 HA ALA A 112 4.438 -2.726 -20.753 1.00 0.56 H new ATOM 0 HB1 ALA A 112 3.229 -4.868 -21.219 1.00 0.54 H new ATOM 0 HB2 ALA A 112 4.859 -5.173 -20.573 1.00 0.54 H new ATOM 0 HB3 ALA A 112 3.437 -5.344 -19.517 1.00 0.54 H new ATOM 1853 N HIS A 113 1.972 -2.957 -18.588 1.00 0.53 N ATOM 1854 CA HIS A 113 0.631 -2.474 -18.235 1.00 0.58 C ATOM 1855 C HIS A 113 0.565 -0.974 -17.854 1.00 0.60 C ATOM 1856 O HIS A 113 -0.536 -0.428 -17.747 1.00 0.68 O ATOM 1857 CB HIS A 113 0.042 -3.389 -17.146 1.00 0.54 C ATOM 1858 CG HIS A 113 -0.417 -4.728 -17.675 1.00 0.51 C ATOM 1859 ND1 HIS A 113 0.323 -5.886 -17.711 1.00 0.52 N ATOM 1860 CD2 HIS A 113 -1.653 -5.038 -18.177 1.00 0.47 C ATOM 1861 CE1 HIS A 113 -0.438 -6.865 -18.223 1.00 0.48 C ATOM 1862 NE2 HIS A 113 -1.658 -6.394 -18.533 1.00 0.47 N ATOM 0 H HIS A 113 2.383 -3.554 -17.870 1.00 0.53 H new ATOM 0 HA HIS A 113 0.016 -2.531 -19.133 1.00 0.58 H new ATOM 0 HB2 HIS A 113 0.792 -3.550 -16.371 1.00 0.54 H new ATOM 0 HB3 HIS A 113 -0.801 -2.884 -16.674 1.00 0.54 H new ATOM 0 HD1 HIS A 113 1.290 -5.984 -17.400 1.00 0.52 H new ATOM 0 HD2 HIS A 113 -2.483 -4.354 -18.281 1.00 0.47 H new ATOM 0 HE1 HIS A 113 -0.116 -7.886 -18.366 1.00 0.48 H new ATOM 1870 N GLY A 114 1.711 -0.302 -17.645 1.00 0.56 N ATOM 1871 CA GLY A 114 1.786 1.132 -17.282 1.00 0.54 C ATOM 1872 C GLY A 114 2.253 1.400 -15.849 1.00 0.48 C ATOM 1873 O GLY A 114 2.400 2.553 -15.456 1.00 0.52 O ATOM 0 H GLY A 114 2.627 -0.743 -17.724 1.00 0.56 H new ATOM 0 HA2 GLY A 114 2.465 1.633 -17.972 1.00 0.54 H new ATOM 0 HA3 GLY A 114 0.802 1.581 -17.420 1.00 0.54 H new ATOM 1877 N LEU A 115 2.557 0.361 -15.076 1.00 0.46 N ATOM 1878 CA LEU A 115 3.071 0.467 -13.714 1.00 0.46 C ATOM 1879 C LEU A 115 4.594 0.724 -13.768 1.00 0.53 C ATOM 1880 O LEU A 115 5.401 -0.149 -13.445 1.00 0.91 O ATOM 1881 CB LEU A 115 2.678 -0.801 -12.926 1.00 0.47 C ATOM 1882 CG LEU A 115 1.171 -1.097 -12.701 1.00 0.50 C ATOM 1883 CD1 LEU A 115 0.437 -1.646 -13.935 1.00 0.97 C ATOM 1884 CD2 LEU A 115 1.045 -2.141 -11.579 1.00 0.92 C ATOM 0 H LEU A 115 2.450 -0.604 -15.388 1.00 0.46 H new ATOM 0 HA LEU A 115 2.632 1.311 -13.183 1.00 0.46 H new ATOM 0 HB2 LEU A 115 3.111 -1.659 -13.441 1.00 0.47 H new ATOM 0 HB3 LEU A 115 3.154 -0.744 -11.947 1.00 0.47 H new ATOM 0 HG LEU A 115 0.706 -0.142 -12.455 1.00 0.50 H new ATOM 0 HD11 LEU A 115 -0.609 -1.824 -13.687 1.00 0.97 H new ATOM 0 HD12 LEU A 115 0.499 -0.922 -14.747 1.00 0.97 H new ATOM 0 HD13 LEU A 115 0.900 -2.582 -14.247 1.00 0.97 H new ATOM 0 HD21 LEU A 115 -0.008 -2.363 -11.405 1.00 0.92 H new ATOM 0 HD22 LEU A 115 1.565 -3.053 -11.871 1.00 0.92 H new ATOM 0 HD23 LEU A 115 1.489 -1.747 -10.664 1.00 0.92 H new ATOM 1896 N ARG A 116 4.993 1.914 -14.253 1.00 0.55 N ATOM 1897 CA ARG A 116 6.390 2.278 -14.566 1.00 0.56 C ATOM 1898 C ARG A 116 7.319 2.214 -13.340 1.00 0.47 C ATOM 1899 O ARG A 116 8.455 1.777 -13.487 1.00 0.54 O ATOM 1900 CB ARG A 116 6.481 3.693 -15.175 1.00 0.73 C ATOM 1901 CG ARG A 116 6.265 3.838 -16.691 1.00 1.12 C ATOM 1902 CD ARG A 116 4.927 3.380 -17.283 1.00 1.61 C ATOM 1903 NE ARG A 116 4.717 3.905 -18.647 1.00 1.69 N ATOM 1904 CZ ARG A 116 5.410 3.632 -19.751 1.00 1.86 C ATOM 1905 NH1 ARG A 116 6.408 2.774 -19.768 1.00 2.55 N ATOM 1906 NH2 ARG A 116 5.100 4.240 -20.875 1.00 2.48 N ATOM 0 H ARG A 116 4.336 2.670 -14.444 1.00 0.55 H new ATOM 0 HA ARG A 116 6.725 1.535 -15.290 1.00 0.56 H new ATOM 0 HB2 ARG A 116 5.747 4.322 -14.671 1.00 0.73 H new ATOM 0 HB3 ARG A 116 7.465 4.097 -14.937 1.00 0.73 H new ATOM 0 HG2 ARG A 116 6.399 4.889 -16.947 1.00 1.12 H new ATOM 0 HG3 ARG A 116 7.058 3.284 -17.194 1.00 1.12 H new ATOM 0 HD2 ARG A 116 4.894 2.291 -17.305 1.00 1.61 H new ATOM 0 HD3 ARG A 116 4.113 3.711 -16.638 1.00 1.61 H new ATOM 0 HE ARG A 116 3.943 4.560 -18.758 1.00 1.69 H new ATOM 0 HH11 ARG A 116 6.677 2.288 -18.913 1.00 2.55 H new ATOM 0 HH12 ARG A 116 6.912 2.595 -20.637 1.00 2.55 H new ATOM 0 HH21 ARG A 116 4.335 4.914 -20.896 1.00 2.48 H new ATOM 0 HH22 ARG A 116 5.625 4.038 -21.726 1.00 2.48 H new ATOM 1920 N ARG A 117 6.865 2.646 -12.158 1.00 0.45 N ATOM 1921 CA ARG A 117 7.538 2.574 -10.840 1.00 0.39 C ATOM 1922 C ARG A 117 6.460 2.580 -9.744 1.00 0.44 C ATOM 1923 O ARG A 117 5.275 2.732 -10.036 1.00 0.63 O ATOM 1924 CB ARG A 117 8.548 3.732 -10.616 1.00 0.50 C ATOM 1925 CG ARG A 117 9.756 3.826 -11.565 1.00 0.61 C ATOM 1926 CD ARG A 117 10.693 2.608 -11.585 1.00 0.53 C ATOM 1927 NE ARG A 117 11.582 2.551 -10.406 1.00 1.05 N ATOM 1928 CZ ARG A 117 12.900 2.725 -10.394 1.00 1.31 C ATOM 1929 NH1 ARG A 117 13.594 2.994 -11.481 1.00 1.81 N ATOM 1930 NH2 ARG A 117 13.553 2.618 -9.260 1.00 1.95 N ATOM 0 H ARG A 117 5.950 3.090 -12.084 1.00 0.45 H new ATOM 0 HA ARG A 117 8.120 1.653 -10.803 1.00 0.39 H new ATOM 0 HB2 ARG A 117 7.999 4.672 -10.679 1.00 0.50 H new ATOM 0 HB3 ARG A 117 8.928 3.652 -9.597 1.00 0.50 H new ATOM 0 HG2 ARG A 117 9.386 3.992 -12.577 1.00 0.61 H new ATOM 0 HG3 ARG A 117 10.340 4.705 -11.292 1.00 0.61 H new ATOM 0 HD2 ARG A 117 10.096 1.697 -11.629 1.00 0.53 H new ATOM 0 HD3 ARG A 117 11.299 2.636 -12.491 1.00 0.53 H new ATOM 0 HE ARG A 117 11.138 2.358 -9.508 1.00 1.05 H new ATOM 0 HH11 ARG A 117 13.121 3.077 -12.381 1.00 1.81 H new ATOM 0 HH12 ARG A 117 14.605 3.119 -11.423 1.00 1.81 H new ATOM 0 HH21 ARG A 117 13.049 2.403 -8.400 1.00 1.95 H new ATOM 0 HH22 ARG A 117 14.564 2.750 -9.239 1.00 1.95 H new ATOM 1944 N GLY A 118 6.844 2.431 -8.475 1.00 0.37 N ATOM 1945 CA GLY A 118 5.904 2.520 -7.352 1.00 0.39 C ATOM 1946 C GLY A 118 6.548 2.744 -5.990 1.00 0.39 C ATOM 1947 O GLY A 118 7.770 2.720 -5.850 1.00 0.46 O ATOM 0 H GLY A 118 7.808 2.247 -8.196 1.00 0.37 H new ATOM 0 HA2 GLY A 118 5.206 3.335 -7.546 1.00 0.39 H new ATOM 0 HA3 GLY A 118 5.319 1.601 -7.314 1.00 0.39 H new ATOM 1951 N VAL A 119 5.692 2.989 -5.001 1.00 0.40 N ATOM 1952 CA VAL A 119 6.046 3.289 -3.600 1.00 0.40 C ATOM 1953 C VAL A 119 5.199 2.402 -2.685 1.00 0.39 C ATOM 1954 O VAL A 119 4.030 2.162 -2.990 1.00 0.41 O ATOM 1955 CB VAL A 119 5.860 4.793 -3.255 1.00 0.47 C ATOM 1956 CG1 VAL A 119 6.682 5.673 -4.216 1.00 0.69 C ATOM 1957 CG2 VAL A 119 4.398 5.269 -3.317 1.00 0.57 C ATOM 0 H VAL A 119 4.683 2.986 -5.153 1.00 0.40 H new ATOM 0 HA VAL A 119 7.104 3.075 -3.450 1.00 0.40 H new ATOM 0 HB VAL A 119 6.205 4.894 -2.226 1.00 0.47 H new ATOM 0 HG11 VAL A 119 6.540 6.723 -3.960 1.00 0.69 H new ATOM 0 HG12 VAL A 119 7.738 5.418 -4.129 1.00 0.69 H new ATOM 0 HG13 VAL A 119 6.350 5.501 -5.240 1.00 0.69 H new ATOM 0 HG21 VAL A 119 4.349 6.328 -3.064 1.00 0.57 H new ATOM 0 HG22 VAL A 119 4.009 5.118 -4.324 1.00 0.57 H new ATOM 0 HG23 VAL A 119 3.799 4.698 -2.607 1.00 0.57 H new ATOM 1967 N THR A 120 5.784 1.904 -1.590 1.00 0.40 N ATOM 1968 CA THR A 120 5.199 0.843 -0.756 1.00 0.38 C ATOM 1969 C THR A 120 5.395 1.145 0.721 1.00 0.47 C ATOM 1970 O THR A 120 6.441 1.653 1.119 1.00 0.55 O ATOM 1971 CB THR A 120 5.848 -0.497 -1.138 1.00 0.36 C ATOM 1972 OG1 THR A 120 5.436 -0.844 -2.437 1.00 0.35 O ATOM 1973 CG2 THR A 120 5.484 -1.659 -0.223 1.00 0.48 C ATOM 0 H THR A 120 6.690 2.230 -1.252 1.00 0.40 H new ATOM 0 HA THR A 120 4.125 0.788 -0.933 1.00 0.38 H new ATOM 0 HB THR A 120 6.924 -0.342 -1.054 1.00 0.36 H new ATOM 0 HG1 THR A 120 4.464 -0.969 -2.449 1.00 0.35 H new ATOM 0 HG21 THR A 120 5.986 -2.564 -0.567 1.00 0.48 H new ATOM 0 HG22 THR A 120 5.800 -1.433 0.795 1.00 0.48 H new ATOM 0 HG23 THR A 120 4.405 -1.813 -0.242 1.00 0.48 H new ATOM 1981 N GLN A 121 4.411 0.803 1.551 1.00 0.48 N ATOM 1982 CA GLN A 121 4.538 0.874 3.005 1.00 0.45 C ATOM 1983 C GLN A 121 3.885 -0.308 3.728 1.00 0.45 C ATOM 1984 O GLN A 121 2.868 -0.861 3.308 1.00 0.58 O ATOM 1985 CB GLN A 121 3.967 2.201 3.547 1.00 0.46 C ATOM 1986 CG GLN A 121 4.945 3.386 3.615 1.00 1.23 C ATOM 1987 CD GLN A 121 6.059 3.222 4.651 1.00 2.03 C ATOM 1988 OE1 GLN A 121 6.704 2.189 4.751 1.00 2.70 O ATOM 1989 NE2 GLN A 121 6.373 4.237 5.428 1.00 2.95 N ATOM 0 H GLN A 121 3.501 0.468 1.233 1.00 0.48 H new ATOM 0 HA GLN A 121 5.607 0.826 3.213 1.00 0.45 H new ATOM 0 HB2 GLN A 121 3.122 2.490 2.922 1.00 0.46 H new ATOM 0 HB3 GLN A 121 3.576 2.022 4.549 1.00 0.46 H new ATOM 0 HG2 GLN A 121 5.396 3.527 2.633 1.00 1.23 H new ATOM 0 HG3 GLN A 121 4.384 4.293 3.842 1.00 1.23 H new ATOM 0 HE21 GLN A 121 5.849 5.110 5.363 1.00 2.95 H new ATOM 0 HE22 GLN A 121 7.140 4.151 6.095 1.00 2.95 H new ATOM 1998 N TYR A 122 4.485 -0.626 4.876 1.00 0.49 N ATOM 1999 CA TYR A 122 4.072 -1.609 5.880 1.00 0.51 C ATOM 2000 C TYR A 122 4.046 -0.936 7.263 1.00 0.60 C ATOM 2001 O TYR A 122 4.784 0.022 7.513 1.00 0.75 O ATOM 2002 CB TYR A 122 5.093 -2.759 5.858 1.00 0.57 C ATOM 2003 CG TYR A 122 5.168 -3.650 7.085 1.00 0.63 C ATOM 2004 CD1 TYR A 122 6.004 -3.293 8.163 1.00 1.98 C ATOM 2005 CD2 TYR A 122 4.440 -4.851 7.139 1.00 2.15 C ATOM 2006 CE1 TYR A 122 6.117 -4.136 9.286 1.00 2.01 C ATOM 2007 CE2 TYR A 122 4.568 -5.710 8.246 1.00 2.31 C ATOM 2008 CZ TYR A 122 5.407 -5.356 9.325 1.00 1.10 C ATOM 2009 OH TYR A 122 5.538 -6.188 10.395 1.00 1.37 O ATOM 0 H TYR A 122 5.350 -0.161 5.152 1.00 0.49 H new ATOM 0 HA TYR A 122 3.076 -1.996 5.666 1.00 0.51 H new ATOM 0 HB2 TYR A 122 4.872 -3.390 4.997 1.00 0.57 H new ATOM 0 HB3 TYR A 122 6.081 -2.329 5.693 1.00 0.57 H new ATOM 0 HD1 TYR A 122 6.561 -2.368 8.127 1.00 1.98 H new ATOM 0 HD2 TYR A 122 3.779 -5.116 6.327 1.00 2.15 H new ATOM 0 HE1 TYR A 122 6.746 -3.850 10.116 1.00 2.01 H new ATOM 0 HE2 TYR A 122 4.023 -6.642 8.270 1.00 2.31 H new ATOM 0 HH TYR A 122 4.980 -6.983 10.262 1.00 1.37 H new ATOM 2019 N LEU A 123 3.215 -1.443 8.179 1.00 0.61 N ATOM 2020 CA LEU A 123 3.159 -0.978 9.566 1.00 0.74 C ATOM 2021 C LEU A 123 2.604 -2.099 10.463 1.00 0.83 C ATOM 2022 O LEU A 123 1.749 -2.877 10.033 1.00 0.86 O ATOM 2023 CB LEU A 123 2.332 0.329 9.600 1.00 0.86 C ATOM 2024 CG LEU A 123 2.721 1.436 10.605 1.00 1.16 C ATOM 2025 CD1 LEU A 123 2.662 1.012 12.076 1.00 1.56 C ATOM 2026 CD2 LEU A 123 4.110 2.021 10.306 1.00 2.57 C ATOM 0 H LEU A 123 2.557 -2.195 7.975 1.00 0.61 H new ATOM 0 HA LEU A 123 4.148 -0.746 9.961 1.00 0.74 H new ATOM 0 HB2 LEU A 123 2.365 0.765 8.602 1.00 0.86 H new ATOM 0 HB3 LEU A 123 1.295 0.057 9.795 1.00 0.86 H new ATOM 0 HG LEU A 123 1.956 2.199 10.462 1.00 1.16 H new ATOM 0 HD11 LEU A 123 2.951 1.851 12.708 1.00 1.56 H new ATOM 0 HD12 LEU A 123 1.647 0.702 12.325 1.00 1.56 H new ATOM 0 HD13 LEU A 123 3.346 0.180 12.243 1.00 1.56 H new ATOM 0 HD21 LEU A 123 4.343 2.796 11.036 1.00 2.57 H new ATOM 0 HD22 LEU A 123 4.858 1.230 10.364 1.00 2.57 H new ATOM 0 HD23 LEU A 123 4.115 2.453 9.305 1.00 2.57 H new ATOM 2038 N MET A 124 3.095 -2.189 11.700 1.00 0.97 N ATOM 2039 CA MET A 124 2.695 -3.194 12.695 1.00 1.12 C ATOM 2040 C MET A 124 2.034 -2.526 13.913 1.00 1.27 C ATOM 2041 O MET A 124 2.399 -1.411 14.292 1.00 1.45 O ATOM 2042 CB MET A 124 3.928 -4.028 13.098 1.00 1.17 C ATOM 2043 CG MET A 124 3.661 -5.537 13.096 1.00 1.17 C ATOM 2044 SD MET A 124 2.469 -6.143 14.316 1.00 1.70 S ATOM 2045 CE MET A 124 1.086 -6.529 13.215 1.00 1.65 C ATOM 0 H MET A 124 3.804 -1.546 12.051 1.00 0.97 H new ATOM 0 HA MET A 124 1.952 -3.862 12.260 1.00 1.12 H new ATOM 0 HB2 MET A 124 4.747 -3.809 12.413 1.00 1.17 H new ATOM 0 HB3 MET A 124 4.255 -3.724 14.092 1.00 1.17 H new ATOM 0 HG2 MET A 124 3.309 -5.821 12.104 1.00 1.17 H new ATOM 0 HG3 MET A 124 4.608 -6.052 13.258 1.00 1.17 H new ATOM 0 HE1 MET A 124 0.294 -7.017 13.783 1.00 1.65 H new ATOM 0 HE2 MET A 124 0.703 -5.608 12.775 1.00 1.65 H new ATOM 0 HE3 MET A 124 1.427 -7.195 12.422 1.00 1.65 H new ATOM 2055 N LEU A 125 1.073 -3.212 14.537 1.00 1.27 N ATOM 2056 CA LEU A 125 0.299 -2.744 15.694 1.00 1.36 C ATOM 2057 C LEU A 125 -0.079 -3.930 16.608 1.00 1.32 C ATOM 2058 O LEU A 125 -0.282 -5.034 16.096 1.00 1.38 O ATOM 2059 CB LEU A 125 -0.922 -1.908 15.226 1.00 1.85 C ATOM 2060 CG LEU A 125 -2.140 -2.665 14.645 1.00 1.11 C ATOM 2061 CD1 LEU A 125 -3.279 -1.669 14.368 1.00 2.03 C ATOM 2062 CD2 LEU A 125 -1.838 -3.434 13.354 1.00 2.40 C ATOM 0 H LEU A 125 0.800 -4.148 14.239 1.00 1.27 H new ATOM 0 HA LEU A 125 0.913 -2.077 16.299 1.00 1.36 H new ATOM 0 HB2 LEU A 125 -1.269 -1.319 16.075 1.00 1.85 H new ATOM 0 HB3 LEU A 125 -0.575 -1.204 14.470 1.00 1.85 H new ATOM 0 HG LEU A 125 -2.423 -3.402 15.396 1.00 1.11 H new ATOM 0 HD11 LEU A 125 -4.137 -2.202 13.959 1.00 2.03 H new ATOM 0 HD12 LEU A 125 -3.567 -1.178 15.297 1.00 2.03 H new ATOM 0 HD13 LEU A 125 -2.941 -0.920 13.651 1.00 2.03 H new ATOM 0 HD21 LEU A 125 -2.742 -3.937 13.010 1.00 2.40 H new ATOM 0 HD22 LEU A 125 -1.496 -2.738 12.588 1.00 2.40 H new ATOM 0 HD23 LEU A 125 -1.061 -4.174 13.545 1.00 2.40 H new ATOM 2074 N PRO A 126 -0.188 -3.735 17.938 1.00 1.40 N ATOM 2075 CA PRO A 126 -0.333 -4.831 18.897 1.00 1.50 C ATOM 2076 C PRO A 126 -1.714 -5.513 18.884 1.00 1.58 C ATOM 2077 O PRO A 126 -1.850 -6.563 19.509 1.00 1.75 O ATOM 2078 CB PRO A 126 0.009 -4.228 20.265 1.00 1.68 C ATOM 2079 CG PRO A 126 -0.367 -2.758 20.112 1.00 1.66 C ATOM 2080 CD PRO A 126 -0.036 -2.470 18.648 1.00 1.51 C ATOM 0 HA PRO A 126 0.338 -5.648 18.630 1.00 1.50 H new ATOM 0 HB2 PRO A 126 -0.556 -4.705 21.066 1.00 1.68 H new ATOM 0 HB3 PRO A 126 1.066 -4.349 20.504 1.00 1.68 H new ATOM 0 HG2 PRO A 126 -1.421 -2.586 20.329 1.00 1.66 H new ATOM 0 HG3 PRO A 126 0.205 -2.122 20.788 1.00 1.66 H new ATOM 0 HD2 PRO A 126 -0.705 -1.712 18.240 1.00 1.51 H new ATOM 0 HD3 PRO A 126 0.979 -2.087 18.547 1.00 1.51 H new ATOM 2088 N GLU A 127 -2.730 -4.935 18.221 1.00 1.60 N ATOM 2089 CA GLU A 127 -4.123 -5.409 18.263 1.00 1.85 C ATOM 2090 C GLU A 127 -4.277 -6.890 17.849 1.00 1.73 C ATOM 2091 O GLU A 127 -4.650 -7.713 18.691 1.00 2.51 O ATOM 2092 CB GLU A 127 -5.058 -4.518 17.415 1.00 2.39 C ATOM 2093 CG GLU A 127 -4.866 -2.997 17.527 1.00 3.04 C ATOM 2094 CD GLU A 127 -4.871 -2.466 18.968 1.00 2.42 C ATOM 2095 OE1 GLU A 127 -5.862 -2.681 19.703 1.00 2.89 O ATOM 2096 OE2 GLU A 127 -3.885 -1.799 19.358 1.00 2.94 O ATOM 0 H GLU A 127 -2.604 -4.112 17.632 1.00 1.60 H new ATOM 0 HA GLU A 127 -4.422 -5.335 19.309 1.00 1.85 H new ATOM 0 HB2 GLU A 127 -4.936 -4.798 16.369 1.00 2.39 H new ATOM 0 HB3 GLU A 127 -6.087 -4.750 17.689 1.00 2.39 H new ATOM 0 HG2 GLU A 127 -3.922 -2.726 17.055 1.00 3.04 H new ATOM 0 HG3 GLU A 127 -5.657 -2.500 16.966 1.00 3.04 H new ATOM 2103 N ARG A 128 -3.995 -7.233 16.574 1.00 1.60 N ATOM 2104 CA ARG A 128 -4.141 -8.591 16.001 1.00 1.85 C ATOM 2105 C ARG A 128 -3.684 -8.700 14.537 1.00 1.32 C ATOM 2106 O ARG A 128 -2.768 -9.464 14.224 1.00 2.12 O ATOM 2107 CB ARG A 128 -5.599 -9.105 16.139 1.00 2.90 C ATOM 2108 CG ARG A 128 -5.666 -10.564 16.632 1.00 3.73 C ATOM 2109 CD ARG A 128 -6.914 -10.812 17.489 1.00 4.59 C ATOM 2110 NE ARG A 128 -6.834 -10.020 18.733 1.00 5.28 N ATOM 2111 CZ ARG A 128 -7.701 -9.118 19.176 1.00 6.30 C ATOM 2112 NH1 ARG A 128 -8.905 -8.979 18.662 1.00 7.11 N ATOM 2113 NH2 ARG A 128 -7.341 -8.317 20.155 1.00 7.16 N ATOM 0 H ARG A 128 -3.650 -6.555 15.895 1.00 1.60 H new ATOM 0 HA ARG A 128 -3.473 -9.223 16.586 1.00 1.85 H new ATOM 0 HB2 ARG A 128 -6.142 -8.465 16.834 1.00 2.90 H new ATOM 0 HB3 ARG A 128 -6.101 -9.027 15.175 1.00 2.90 H new ATOM 0 HG2 ARG A 128 -5.672 -11.238 15.776 1.00 3.73 H new ATOM 0 HG3 ARG A 128 -4.773 -10.794 17.213 1.00 3.73 H new ATOM 0 HD2 ARG A 128 -7.809 -10.539 16.931 1.00 4.59 H new ATOM 0 HD3 ARG A 128 -6.998 -11.872 17.727 1.00 4.59 H new ATOM 0 HE ARG A 128 -6.017 -10.186 19.320 1.00 5.28 H new ATOM 0 HH11 ARG A 128 -9.203 -9.578 17.892 1.00 7.11 H new ATOM 0 HH12 ARG A 128 -9.540 -8.272 19.034 1.00 7.11 H new ATOM 0 HH21 ARG A 128 -6.409 -8.395 20.561 1.00 7.16 H new ATOM 0 HH22 ARG A 128 -7.994 -7.618 20.508 1.00 7.16 H new ATOM 2127 N ALA A 129 -4.343 -7.959 13.642 1.00 1.56 N ATOM 2128 CA ALA A 129 -4.117 -7.987 12.196 1.00 1.19 C ATOM 2129 C ALA A 129 -2.920 -7.119 11.779 1.00 1.03 C ATOM 2130 O ALA A 129 -2.238 -6.533 12.620 1.00 1.36 O ATOM 2131 CB ALA A 129 -5.403 -7.511 11.505 1.00 1.67 C ATOM 0 H ALA A 129 -5.073 -7.301 13.914 1.00 1.56 H new ATOM 0 HA ALA A 129 -3.875 -9.005 11.893 1.00 1.19 H new ATOM 0 HB1 ALA A 129 -5.261 -7.522 10.424 1.00 1.67 H new ATOM 0 HB2 ALA A 129 -6.226 -8.175 11.770 1.00 1.67 H new ATOM 0 HB3 ALA A 129 -5.636 -6.497 11.830 1.00 1.67 H new ATOM 2137 N LEU A 130 -2.725 -6.982 10.464 1.00 0.90 N ATOM 2138 CA LEU A 130 -1.785 -6.047 9.844 1.00 1.10 C ATOM 2139 C LEU A 130 -2.178 -5.750 8.390 1.00 0.84 C ATOM 2140 O LEU A 130 -2.906 -6.519 7.755 1.00 0.66 O ATOM 2141 CB LEU A 130 -0.332 -6.535 10.050 1.00 1.51 C ATOM 2142 CG LEU A 130 0.326 -7.354 8.918 1.00 1.18 C ATOM 2143 CD1 LEU A 130 1.182 -6.439 8.033 1.00 2.21 C ATOM 2144 CD2 LEU A 130 1.245 -8.435 9.508 1.00 1.69 C ATOM 0 H LEU A 130 -3.236 -7.539 9.779 1.00 0.90 H new ATOM 0 HA LEU A 130 -1.838 -5.078 10.341 1.00 1.10 H new ATOM 0 HB2 LEU A 130 0.291 -5.660 10.234 1.00 1.51 H new ATOM 0 HB3 LEU A 130 -0.308 -7.140 10.957 1.00 1.51 H new ATOM 0 HG LEU A 130 -0.468 -7.815 8.330 1.00 1.18 H new ATOM 0 HD11 LEU A 130 1.641 -7.027 7.238 1.00 2.21 H new ATOM 0 HD12 LEU A 130 0.553 -5.665 7.594 1.00 2.21 H new ATOM 0 HD13 LEU A 130 1.961 -5.974 8.637 1.00 2.21 H new ATOM 0 HD21 LEU A 130 1.702 -9.005 8.699 1.00 1.69 H new ATOM 0 HD22 LEU A 130 2.025 -7.963 10.105 1.00 1.69 H new ATOM 0 HD23 LEU A 130 0.660 -9.105 10.138 1.00 1.69 H new ATOM 2156 N GLY A 131 -1.705 -4.617 7.874 1.00 0.96 N ATOM 2157 CA GLY A 131 -1.972 -4.137 6.520 1.00 0.83 C ATOM 2158 C GLY A 131 -0.763 -3.477 5.864 1.00 0.75 C ATOM 2159 O GLY A 131 0.187 -3.046 6.522 1.00 0.84 O ATOM 0 H GLY A 131 -1.105 -3.987 8.406 1.00 0.96 H new ATOM 0 HA2 GLY A 131 -2.299 -4.974 5.903 1.00 0.83 H new ATOM 0 HA3 GLY A 131 -2.795 -3.423 6.551 1.00 0.83 H new ATOM 2163 N PHE A 132 -0.847 -3.391 4.542 1.00 0.65 N ATOM 2164 CA PHE A 132 0.124 -2.792 3.634 1.00 0.61 C ATOM 2165 C PHE A 132 -0.625 -1.876 2.652 1.00 0.64 C ATOM 2166 O PHE A 132 -1.787 -2.132 2.315 1.00 0.74 O ATOM 2167 CB PHE A 132 0.866 -3.881 2.826 1.00 0.72 C ATOM 2168 CG PHE A 132 1.330 -5.144 3.544 1.00 1.02 C ATOM 2169 CD1 PHE A 132 0.404 -6.147 3.897 1.00 2.43 C ATOM 2170 CD2 PHE A 132 2.704 -5.379 3.748 1.00 2.13 C ATOM 2171 CE1 PHE A 132 0.843 -7.357 4.463 1.00 3.07 C ATOM 2172 CE2 PHE A 132 3.147 -6.604 4.282 1.00 2.81 C ATOM 2173 CZ PHE A 132 2.215 -7.589 4.648 1.00 2.82 C ATOM 0 H PHE A 132 -1.653 -3.765 4.041 1.00 0.65 H new ATOM 0 HA PHE A 132 0.853 -2.229 4.217 1.00 0.61 H new ATOM 0 HB2 PHE A 132 0.213 -4.188 2.009 1.00 0.72 H new ATOM 0 HB3 PHE A 132 1.743 -3.417 2.376 1.00 0.72 H new ATOM 0 HD1 PHE A 132 -0.651 -5.985 3.731 1.00 2.43 H new ATOM 0 HD2 PHE A 132 3.423 -4.614 3.493 1.00 2.13 H new ATOM 0 HE1 PHE A 132 0.124 -8.108 4.756 1.00 3.07 H new ATOM 0 HE2 PHE A 132 4.204 -6.786 4.410 1.00 2.81 H new ATOM 0 HZ PHE A 132 2.553 -8.523 5.071 1.00 2.82 H new ATOM 2183 N LEU A 133 0.052 -0.858 2.123 1.00 0.58 N ATOM 2184 CA LEU A 133 -0.446 -0.078 0.984 1.00 0.57 C ATOM 2185 C LEU A 133 0.671 0.190 -0.015 1.00 0.48 C ATOM 2186 O LEU A 133 1.854 0.167 0.332 1.00 0.41 O ATOM 2187 CB LEU A 133 -1.187 1.193 1.455 1.00 0.65 C ATOM 2188 CG LEU A 133 -0.339 2.294 2.139 1.00 0.69 C ATOM 2189 CD1 LEU A 133 0.459 3.174 1.161 1.00 1.50 C ATOM 2190 CD2 LEU A 133 -1.270 3.232 2.917 1.00 1.49 C ATOM 0 H LEU A 133 0.960 -0.549 2.469 1.00 0.58 H new ATOM 0 HA LEU A 133 -1.192 -0.666 0.450 1.00 0.57 H new ATOM 0 HB2 LEU A 133 -1.682 1.636 0.590 1.00 0.65 H new ATOM 0 HB3 LEU A 133 -1.970 0.890 2.150 1.00 0.65 H new ATOM 0 HG LEU A 133 0.371 1.766 2.775 1.00 0.69 H new ATOM 0 HD11 LEU A 133 1.025 3.919 1.721 1.00 1.50 H new ATOM 0 HD12 LEU A 133 1.146 2.551 0.588 1.00 1.50 H new ATOM 0 HD13 LEU A 133 -0.228 3.677 0.480 1.00 1.50 H new ATOM 0 HD21 LEU A 133 -0.680 4.010 3.402 1.00 1.49 H new ATOM 0 HD22 LEU A 133 -1.981 3.691 2.230 1.00 1.49 H new ATOM 0 HD23 LEU A 133 -1.811 2.663 3.673 1.00 1.49 H new ATOM 2202 N SER A 134 0.300 0.457 -1.260 1.00 0.54 N ATOM 2203 CA SER A 134 1.228 0.870 -2.313 1.00 0.53 C ATOM 2204 C SER A 134 0.529 1.707 -3.381 1.00 0.49 C ATOM 2205 O SER A 134 -0.623 1.447 -3.740 1.00 0.53 O ATOM 2206 CB SER A 134 1.884 -0.343 -2.988 1.00 0.56 C ATOM 2207 OG SER A 134 2.761 -1.005 -2.102 1.00 1.56 O ATOM 0 H SER A 134 -0.668 0.393 -1.575 1.00 0.54 H new ATOM 0 HA SER A 134 1.995 1.474 -1.829 1.00 0.53 H new ATOM 0 HB2 SER A 134 1.113 -1.035 -3.327 1.00 0.56 H new ATOM 0 HB3 SER A 134 2.432 -0.019 -3.872 1.00 0.56 H new ATOM 0 HG SER A 134 2.628 -0.663 -1.193 1.00 1.56 H new ATOM 2213 N PHE A 135 1.248 2.687 -3.930 1.00 0.45 N ATOM 2214 CA PHE A 135 0.844 3.381 -5.147 1.00 0.44 C ATOM 2215 C PHE A 135 1.772 2.956 -6.291 1.00 0.41 C ATOM 2216 O PHE A 135 2.996 2.909 -6.135 1.00 0.39 O ATOM 2217 CB PHE A 135 0.882 4.908 -4.971 1.00 0.52 C ATOM 2218 CG PHE A 135 0.353 5.527 -3.689 1.00 0.57 C ATOM 2219 CD1 PHE A 135 -0.734 4.967 -2.990 1.00 1.77 C ATOM 2220 CD2 PHE A 135 0.945 6.716 -3.218 1.00 2.24 C ATOM 2221 CE1 PHE A 135 -1.207 5.581 -1.816 1.00 1.69 C ATOM 2222 CE2 PHE A 135 0.463 7.334 -2.052 1.00 2.45 C ATOM 2223 CZ PHE A 135 -0.609 6.763 -1.350 1.00 1.02 C ATOM 0 H PHE A 135 2.129 3.021 -3.540 1.00 0.45 H new ATOM 0 HA PHE A 135 -0.186 3.109 -5.377 1.00 0.44 H new ATOM 0 HB2 PHE A 135 1.919 5.224 -5.082 1.00 0.52 H new ATOM 0 HB3 PHE A 135 0.325 5.346 -5.799 1.00 0.52 H new ATOM 0 HD1 PHE A 135 -1.204 4.066 -3.355 1.00 1.77 H new ATOM 0 HD2 PHE A 135 1.773 7.154 -3.756 1.00 2.24 H new ATOM 0 HE1 PHE A 135 -2.031 5.143 -1.272 1.00 1.69 H new ATOM 0 HE2 PHE A 135 0.917 8.247 -1.697 1.00 2.45 H new ATOM 0 HZ PHE A 135 -0.975 7.233 -0.449 1.00 1.02 H new ATOM 2233 N SER A 136 1.184 2.698 -7.452 1.00 0.43 N ATOM 2234 CA SER A 136 1.884 2.559 -8.728 1.00 0.46 C ATOM 2235 C SER A 136 1.820 3.886 -9.495 1.00 0.61 C ATOM 2236 O SER A 136 0.796 4.574 -9.447 1.00 1.03 O ATOM 2237 CB SER A 136 1.217 1.462 -9.556 1.00 0.60 C ATOM 2238 OG SER A 136 1.812 1.409 -10.832 1.00 1.52 O ATOM 0 H SER A 136 0.175 2.575 -7.537 1.00 0.43 H new ATOM 0 HA SER A 136 2.926 2.296 -8.544 1.00 0.46 H new ATOM 0 HB2 SER A 136 1.320 0.500 -9.055 1.00 0.60 H new ATOM 0 HB3 SER A 136 0.149 1.660 -9.649 1.00 0.60 H new ATOM 0 HG SER A 136 1.220 1.834 -11.487 1.00 1.52 H new ATOM 2244 N ARG A 137 2.900 4.233 -10.206 1.00 0.43 N ATOM 2245 CA ARG A 137 3.058 5.489 -10.943 1.00 0.46 C ATOM 2246 C ARG A 137 3.500 5.234 -12.397 1.00 0.47 C ATOM 2247 O ARG A 137 4.365 4.388 -12.631 1.00 0.52 O ATOM 2248 CB ARG A 137 3.968 6.441 -10.137 1.00 0.66 C ATOM 2249 CG ARG A 137 5.483 6.299 -10.347 1.00 1.90 C ATOM 2250 CD ARG A 137 6.339 6.692 -9.132 1.00 2.58 C ATOM 2251 NE ARG A 137 6.129 8.084 -8.687 1.00 2.90 N ATOM 2252 CZ ARG A 137 6.959 8.796 -7.927 1.00 3.86 C ATOM 2253 NH1 ARG A 137 8.125 8.328 -7.527 1.00 4.69 N ATOM 2254 NH2 ARG A 137 6.622 10.009 -7.547 1.00 4.68 N ATOM 0 H ARG A 137 3.715 3.625 -10.286 1.00 0.43 H new ATOM 0 HA ARG A 137 2.099 5.996 -11.045 1.00 0.46 H new ATOM 0 HB2 ARG A 137 3.687 7.466 -10.380 1.00 0.66 H new ATOM 0 HB3 ARG A 137 3.757 6.295 -9.078 1.00 0.66 H new ATOM 0 HG2 ARG A 137 5.704 5.265 -10.611 1.00 1.90 H new ATOM 0 HG3 ARG A 137 5.778 6.915 -11.197 1.00 1.90 H new ATOM 0 HD2 ARG A 137 6.114 6.017 -8.306 1.00 2.58 H new ATOM 0 HD3 ARG A 137 7.391 6.553 -9.379 1.00 2.58 H new ATOM 0 HE ARG A 137 5.269 8.542 -8.989 1.00 2.90 H new ATOM 0 HH11 ARG A 137 8.419 7.390 -7.799 1.00 4.69 H new ATOM 0 HH12 ARG A 137 8.733 8.904 -6.945 1.00 4.69 H new ATOM 0 HH21 ARG A 137 5.726 10.403 -7.834 1.00 4.68 H new ATOM 0 HH22 ARG A 137 7.256 10.556 -6.965 1.00 4.68 H new ATOM 2268 N CYS A 138 2.961 5.974 -13.378 1.00 0.50 N ATOM 2269 CA CYS A 138 3.454 5.960 -14.774 1.00 0.57 C ATOM 2270 C CYS A 138 4.711 6.825 -14.966 1.00 0.61 C ATOM 2271 O CYS A 138 5.298 6.815 -16.044 1.00 0.73 O ATOM 2272 CB CYS A 138 2.404 6.436 -15.791 1.00 0.68 C ATOM 2273 SG CYS A 138 1.115 5.233 -16.200 1.00 2.88 S ATOM 0 H CYS A 138 2.170 6.601 -13.231 1.00 0.50 H new ATOM 0 HA CYS A 138 3.690 4.912 -14.960 1.00 0.57 H new ATOM 0 HB2 CYS A 138 1.927 7.335 -15.401 1.00 0.68 H new ATOM 0 HB3 CYS A 138 2.916 6.720 -16.710 1.00 0.68 H new ATOM 0 HG CYS A 138 1.582 4.029 -16.050 1.00 2.88 H new ATOM 2279 N SER A 139 5.142 7.587 -13.965 1.00 0.62 N ATOM 2280 CA SER A 139 6.462 8.214 -14.017 1.00 0.66 C ATOM 2281 C SER A 139 7.557 7.152 -13.828 1.00 0.58 C ATOM 2282 O SER A 139 7.595 6.430 -12.830 1.00 0.68 O ATOM 2283 CB SER A 139 6.570 9.349 -13.001 1.00 0.78 C ATOM 2284 OG SER A 139 7.754 10.085 -13.226 1.00 2.62 O ATOM 0 H SER A 139 4.607 7.784 -13.119 1.00 0.62 H new ATOM 0 HA SER A 139 6.605 8.663 -15.000 1.00 0.66 H new ATOM 0 HB2 SER A 139 5.703 10.005 -13.082 1.00 0.78 H new ATOM 0 HB3 SER A 139 6.570 8.944 -11.989 1.00 0.78 H new ATOM 0 HG SER A 139 7.816 10.812 -12.572 1.00 2.62 H new ATOM 2290 N ALA A 140 8.472 7.057 -14.791 1.00 0.58 N ATOM 2291 CA ALA A 140 9.626 6.146 -14.754 1.00 0.60 C ATOM 2292 C ALA A 140 10.763 6.655 -13.839 1.00 0.61 C ATOM 2293 O ALA A 140 11.846 6.066 -13.793 1.00 0.72 O ATOM 2294 CB ALA A 140 10.094 5.938 -16.200 1.00 0.73 C ATOM 0 H ALA A 140 8.435 7.622 -15.640 1.00 0.58 H new ATOM 0 HA ALA A 140 9.326 5.195 -14.314 1.00 0.60 H new ATOM 0 HB1 ALA A 140 10.952 5.265 -16.212 1.00 0.73 H new ATOM 0 HB2 ALA A 140 9.284 5.503 -16.786 1.00 0.73 H new ATOM 0 HB3 ALA A 140 10.379 6.897 -16.632 1.00 0.73 H new ATOM 2300 N ARG A 141 10.525 7.774 -13.145 1.00 0.61 N ATOM 2301 CA ARG A 141 11.502 8.539 -12.374 1.00 0.68 C ATOM 2302 C ARG A 141 12.055 7.743 -11.182 1.00 0.67 C ATOM 2303 O ARG A 141 11.331 7.026 -10.487 1.00 0.76 O ATOM 2304 CB ARG A 141 10.850 9.859 -11.923 1.00 0.81 C ATOM 2305 CG ARG A 141 10.868 11.006 -12.959 1.00 0.97 C ATOM 2306 CD ARG A 141 10.716 10.611 -14.439 1.00 1.31 C ATOM 2307 NE ARG A 141 10.597 11.799 -15.302 1.00 2.15 N ATOM 2308 CZ ARG A 141 10.618 11.814 -16.630 1.00 2.88 C ATOM 2309 NH1 ARG A 141 10.775 10.717 -17.343 1.00 3.48 N ATOM 2310 NH2 ARG A 141 10.480 12.955 -17.272 1.00 3.60 N ATOM 0 H ARG A 141 9.594 8.189 -13.107 1.00 0.61 H new ATOM 0 HA ARG A 141 12.361 8.755 -13.009 1.00 0.68 H new ATOM 0 HB2 ARG A 141 9.814 9.656 -11.651 1.00 0.81 H new ATOM 0 HB3 ARG A 141 11.355 10.202 -11.020 1.00 0.81 H new ATOM 0 HG2 ARG A 141 10.066 11.701 -12.709 1.00 0.97 H new ATOM 0 HG3 ARG A 141 11.807 11.549 -12.848 1.00 0.97 H new ATOM 0 HD2 ARG A 141 11.577 10.018 -14.749 1.00 1.31 H new ATOM 0 HD3 ARG A 141 9.835 9.981 -14.561 1.00 1.31 H new ATOM 0 HE ARG A 141 10.488 12.699 -14.834 1.00 2.15 H new ATOM 0 HH11 ARG A 141 10.886 9.817 -16.876 1.00 3.48 H new ATOM 0 HH12 ARG A 141 10.786 10.768 -18.362 1.00 3.48 H new ATOM 0 HH21 ARG A 141 10.358 13.823 -16.750 1.00 3.60 H new ATOM 0 HH22 ARG A 141 10.495 12.972 -18.292 1.00 3.60 H new ATOM 2324 N GLU A 142 13.359 7.896 -10.968 1.00 0.64 N ATOM 2325 CA GLU A 142 14.161 7.209 -9.950 1.00 0.66 C ATOM 2326 C GLU A 142 13.728 7.568 -8.514 1.00 0.68 C ATOM 2327 O GLU A 142 13.238 8.670 -8.255 1.00 0.72 O ATOM 2328 CB GLU A 142 15.637 7.565 -10.215 1.00 0.74 C ATOM 2329 CG GLU A 142 16.670 6.787 -9.381 1.00 1.31 C ATOM 2330 CD GLU A 142 17.513 7.705 -8.478 1.00 2.48 C ATOM 2331 OE1 GLU A 142 16.938 8.472 -7.671 1.00 3.80 O ATOM 2332 OE2 GLU A 142 18.764 7.662 -8.572 1.00 3.27 O ATOM 0 H GLU A 142 13.919 8.538 -11.530 1.00 0.64 H new ATOM 0 HA GLU A 142 14.011 6.132 -10.025 1.00 0.66 H new ATOM 0 HB2 GLU A 142 15.848 7.397 -11.271 1.00 0.74 H new ATOM 0 HB3 GLU A 142 15.774 8.630 -10.028 1.00 0.74 H new ATOM 0 HG2 GLU A 142 16.154 6.051 -8.764 1.00 1.31 H new ATOM 0 HG3 GLU A 142 17.330 6.235 -10.050 1.00 1.31 H new ATOM 2339 N ILE A 143 13.915 6.634 -7.573 1.00 0.79 N ATOM 2340 CA ILE A 143 13.687 6.832 -6.132 1.00 0.89 C ATOM 2341 C ILE A 143 15.036 6.963 -5.382 1.00 1.09 C ATOM 2342 O ILE A 143 15.797 5.987 -5.344 1.00 1.23 O ATOM 2343 CB ILE A 143 12.789 5.691 -5.583 1.00 0.90 C ATOM 2344 CG1 ILE A 143 11.335 5.944 -6.054 1.00 0.71 C ATOM 2345 CG2 ILE A 143 12.868 5.565 -4.056 1.00 1.37 C ATOM 2346 CD1 ILE A 143 10.292 4.952 -5.527 1.00 1.77 C ATOM 0 H ILE A 143 14.238 5.693 -7.797 1.00 0.79 H new ATOM 0 HA ILE A 143 13.154 7.768 -5.964 1.00 0.89 H new ATOM 0 HB ILE A 143 13.148 4.740 -5.976 1.00 0.90 H new ATOM 0 HG12 ILE A 143 11.042 6.949 -5.750 1.00 0.71 H new ATOM 0 HG13 ILE A 143 11.315 5.922 -7.144 1.00 0.71 H new ATOM 0 HG21 ILE A 143 12.221 4.753 -3.724 1.00 1.37 H new ATOM 0 HG22 ILE A 143 13.896 5.354 -3.761 1.00 1.37 H new ATOM 0 HG23 ILE A 143 12.543 6.498 -3.597 1.00 1.37 H new ATOM 0 HD11 ILE A 143 9.309 5.218 -5.915 1.00 1.77 H new ATOM 0 HD12 ILE A 143 10.551 3.945 -5.853 1.00 1.77 H new ATOM 0 HD13 ILE A 143 10.274 4.988 -4.438 1.00 1.77 H new ATOM 2358 N PRO A 144 15.309 8.124 -4.745 1.00 1.20 N ATOM 2359 CA PRO A 144 16.318 8.292 -3.707 1.00 1.38 C ATOM 2360 C PRO A 144 15.675 7.974 -2.347 1.00 1.26 C ATOM 2361 O PRO A 144 15.540 6.812 -1.977 1.00 1.97 O ATOM 2362 CB PRO A 144 16.824 9.729 -3.892 1.00 1.64 C ATOM 2363 CG PRO A 144 15.604 10.494 -4.416 1.00 1.55 C ATOM 2364 CD PRO A 144 14.721 9.423 -5.063 1.00 1.24 C ATOM 0 HA PRO A 144 17.174 7.619 -3.764 1.00 1.38 H new ATOM 0 HB2 PRO A 144 17.183 10.148 -2.952 1.00 1.64 H new ATOM 0 HB3 PRO A 144 17.654 9.771 -4.598 1.00 1.64 H new ATOM 0 HG2 PRO A 144 15.080 11.004 -3.608 1.00 1.55 H new ATOM 0 HG3 PRO A 144 15.895 11.256 -5.138 1.00 1.55 H new ATOM 0 HD2 PRO A 144 13.701 9.486 -4.684 1.00 1.24 H new ATOM 0 HD3 PRO A 144 14.670 9.568 -6.142 1.00 1.24 H new ATOM 2372 N ILE A 145 15.234 9.003 -1.623 1.00 0.91 N ATOM 2373 CA ILE A 145 14.473 8.952 -0.362 1.00 0.74 C ATOM 2374 C ILE A 145 12.953 8.970 -0.626 1.00 0.77 C ATOM 2375 O ILE A 145 12.165 9.361 0.227 1.00 1.27 O ATOM 2376 CB ILE A 145 15.010 10.100 0.531 1.00 0.80 C ATOM 2377 CG1 ILE A 145 14.713 10.008 2.053 1.00 0.79 C ATOM 2378 CG2 ILE A 145 14.730 11.480 -0.094 1.00 0.99 C ATOM 2379 CD1 ILE A 145 13.438 10.647 2.627 1.00 0.93 C ATOM 0 H ILE A 145 15.408 9.964 -1.918 1.00 0.91 H new ATOM 0 HA ILE A 145 14.619 8.015 0.175 1.00 0.74 H new ATOM 0 HB ILE A 145 16.090 9.956 0.534 1.00 0.80 H new ATOM 0 HG12 ILE A 145 14.692 8.950 2.316 1.00 0.79 H new ATOM 0 HG13 ILE A 145 15.561 10.450 2.576 1.00 0.79 H new ATOM 0 HG21 ILE A 145 15.120 12.261 0.559 1.00 0.99 H new ATOM 0 HG22 ILE A 145 15.217 11.544 -1.067 1.00 0.99 H new ATOM 0 HG23 ILE A 145 13.655 11.613 -0.216 1.00 0.99 H new ATOM 0 HD11 ILE A 145 13.401 10.482 3.704 1.00 0.93 H new ATOM 0 HD12 ILE A 145 13.445 11.718 2.424 1.00 0.93 H new ATOM 0 HD13 ILE A 145 12.563 10.195 2.160 1.00 0.93 H new ATOM 2391 N LEU A 146 12.517 8.612 -1.843 1.00 0.92 N ATOM 2392 CA LEU A 146 11.105 8.512 -2.285 1.00 0.98 C ATOM 2393 C LEU A 146 10.474 9.897 -2.551 1.00 0.90 C ATOM 2394 O LEU A 146 9.761 10.056 -3.540 1.00 1.11 O ATOM 2395 CB LEU A 146 10.343 7.535 -1.343 1.00 1.28 C ATOM 2396 CG LEU A 146 9.000 7.961 -0.740 1.00 0.96 C ATOM 2397 CD1 LEU A 146 7.875 7.731 -1.739 1.00 2.15 C ATOM 2398 CD2 LEU A 146 8.692 7.082 0.484 1.00 1.96 C ATOM 0 H LEU A 146 13.169 8.370 -2.590 1.00 0.92 H new ATOM 0 HA LEU A 146 11.032 8.058 -3.273 1.00 0.98 H new ATOM 0 HB2 LEU A 146 10.174 6.612 -1.898 1.00 1.28 H new ATOM 0 HB3 LEU A 146 11.010 7.292 -0.516 1.00 1.28 H new ATOM 0 HG LEU A 146 9.066 9.016 -0.472 1.00 0.96 H new ATOM 0 HD11 LEU A 146 6.927 8.038 -1.297 1.00 2.15 H new ATOM 0 HD12 LEU A 146 8.062 8.317 -2.639 1.00 2.15 H new ATOM 0 HD13 LEU A 146 7.829 6.673 -1.998 1.00 2.15 H new ATOM 0 HD21 LEU A 146 7.737 7.382 0.916 1.00 1.96 H new ATOM 0 HD22 LEU A 146 8.640 6.037 0.178 1.00 1.96 H new ATOM 0 HD23 LEU A 146 9.481 7.203 1.227 1.00 1.96 H new ATOM 2410 N SER A 147 10.833 10.880 -1.726 1.00 0.75 N ATOM 2411 CA SER A 147 10.554 12.333 -1.690 1.00 0.80 C ATOM 2412 C SER A 147 10.024 12.661 -0.291 1.00 0.75 C ATOM 2413 O SER A 147 9.086 12.016 0.165 1.00 0.70 O ATOM 2414 CB SER A 147 9.581 12.859 -2.758 1.00 0.84 C ATOM 2415 OG SER A 147 10.129 12.777 -4.066 1.00 1.46 O ATOM 0 H SER A 147 11.426 10.641 -0.932 1.00 0.75 H new ATOM 0 HA SER A 147 11.492 12.838 -1.921 1.00 0.80 H new ATOM 0 HB2 SER A 147 8.654 12.287 -2.717 1.00 0.84 H new ATOM 0 HB3 SER A 147 9.326 13.895 -2.537 1.00 0.84 H new ATOM 0 HG SER A 147 10.179 11.838 -4.341 1.00 1.46 H new ATOM 2421 N ASP A 148 10.601 13.624 0.435 1.00 0.80 N ATOM 2422 CA ASP A 148 10.389 13.719 1.892 1.00 0.82 C ATOM 2423 C ASP A 148 8.969 14.155 2.306 1.00 0.79 C ATOM 2424 O ASP A 148 8.477 13.738 3.353 1.00 0.81 O ATOM 2425 CB ASP A 148 11.480 14.576 2.544 1.00 1.02 C ATOM 2426 CG ASP A 148 11.444 14.476 4.083 1.00 2.30 C ATOM 2427 OD1 ASP A 148 11.659 13.363 4.624 1.00 3.95 O ATOM 2428 OD2 ASP A 148 11.235 15.521 4.742 1.00 2.88 O ATOM 0 H ASP A 148 11.212 14.343 0.048 1.00 0.80 H new ATOM 0 HA ASP A 148 10.475 12.702 2.276 1.00 0.82 H new ATOM 0 HB2 ASP A 148 12.457 14.257 2.182 1.00 1.02 H new ATOM 0 HB3 ASP A 148 11.353 15.616 2.244 1.00 1.02 H new ATOM 2433 N GLU A 149 8.273 14.942 1.480 1.00 0.80 N ATOM 2434 CA GLU A 149 6.838 15.193 1.684 1.00 0.82 C ATOM 2435 C GLU A 149 6.033 13.896 1.535 1.00 0.72 C ATOM 2436 O GLU A 149 5.122 13.629 2.320 1.00 0.81 O ATOM 2437 CB GLU A 149 6.299 16.219 0.671 1.00 0.96 C ATOM 2438 CG GLU A 149 6.877 17.627 0.843 1.00 2.18 C ATOM 2439 CD GLU A 149 6.227 18.599 -0.155 1.00 3.29 C ATOM 2440 OE1 GLU A 149 5.156 19.172 0.158 1.00 3.97 O ATOM 2441 OE2 GLU A 149 6.780 18.797 -1.263 1.00 4.52 O ATOM 0 H GLU A 149 8.673 15.414 0.669 1.00 0.80 H new ATOM 0 HA GLU A 149 6.724 15.588 2.694 1.00 0.82 H new ATOM 0 HB2 GLU A 149 6.518 15.868 -0.337 1.00 0.96 H new ATOM 0 HB3 GLU A 149 5.214 16.269 0.762 1.00 0.96 H new ATOM 0 HG2 GLU A 149 6.707 17.975 1.862 1.00 2.18 H new ATOM 0 HG3 GLU A 149 7.956 17.605 0.689 1.00 2.18 H new ATOM 2448 N LEU A 150 6.391 13.070 0.547 1.00 0.64 N ATOM 2449 CA LEU A 150 5.736 11.800 0.259 1.00 0.57 C ATOM 2450 C LEU A 150 6.082 10.745 1.314 1.00 0.53 C ATOM 2451 O LEU A 150 5.195 10.004 1.706 1.00 0.52 O ATOM 2452 CB LEU A 150 6.123 11.341 -1.164 1.00 0.58 C ATOM 2453 CG LEU A 150 4.930 10.977 -2.068 1.00 1.05 C ATOM 2454 CD1 LEU A 150 5.460 10.522 -3.432 1.00 2.20 C ATOM 2455 CD2 LEU A 150 4.027 9.867 -1.514 1.00 1.92 C ATOM 0 H LEU A 150 7.163 13.275 -0.087 1.00 0.64 H new ATOM 0 HA LEU A 150 4.655 11.934 0.300 1.00 0.57 H new ATOM 0 HB2 LEU A 150 6.697 12.134 -1.644 1.00 0.58 H new ATOM 0 HB3 LEU A 150 6.780 10.475 -1.086 1.00 0.58 H new ATOM 0 HG LEU A 150 4.319 11.877 -2.134 1.00 1.05 H new ATOM 0 HD11 LEU A 150 4.623 10.262 -4.079 1.00 2.20 H new ATOM 0 HD12 LEU A 150 6.034 11.329 -3.887 1.00 2.20 H new ATOM 0 HD13 LEU A 150 6.101 9.651 -3.301 1.00 2.20 H new ATOM 0 HD21 LEU A 150 3.214 9.676 -2.214 1.00 1.92 H new ATOM 0 HD22 LEU A 150 4.611 8.957 -1.379 1.00 1.92 H new ATOM 0 HD23 LEU A 150 3.614 10.179 -0.555 1.00 1.92 H new ATOM 2467 N GLN A 151 7.326 10.667 1.795 1.00 0.54 N ATOM 2468 CA GLN A 151 7.744 9.694 2.815 1.00 0.54 C ATOM 2469 C GLN A 151 7.000 9.906 4.139 1.00 0.56 C ATOM 2470 O GLN A 151 6.481 8.946 4.715 1.00 0.56 O ATOM 2471 CB GLN A 151 9.277 9.624 2.940 1.00 0.61 C ATOM 2472 CG GLN A 151 9.933 10.646 3.880 1.00 0.95 C ATOM 2473 CD GLN A 151 10.116 10.222 5.340 1.00 1.55 C ATOM 2474 OE1 GLN A 151 9.647 9.195 5.816 1.00 1.86 O ATOM 2475 NE2 GLN A 151 10.838 11.013 6.105 1.00 2.52 N ATOM 0 H GLN A 151 8.079 11.281 1.486 1.00 0.54 H new ATOM 0 HA GLN A 151 7.446 8.699 2.484 1.00 0.54 H new ATOM 0 HB2 GLN A 151 9.547 8.624 3.281 1.00 0.61 H new ATOM 0 HB3 GLN A 151 9.707 9.749 1.946 1.00 0.61 H new ATOM 0 HG2 GLN A 151 10.912 10.901 3.475 1.00 0.95 H new ATOM 0 HG3 GLN A 151 9.334 11.557 3.863 1.00 0.95 H new ATOM 0 HE21 GLN A 151 11.234 11.871 5.721 1.00 2.52 H new ATOM 0 HE22 GLN A 151 11.001 10.768 7.082 1.00 2.52 H new ATOM 2484 N LEU A 152 6.876 11.165 4.581 1.00 0.62 N ATOM 2485 CA LEU A 152 6.179 11.503 5.818 1.00 0.68 C ATOM 2486 C LEU A 152 4.682 11.264 5.643 1.00 0.65 C ATOM 2487 O LEU A 152 4.060 10.613 6.484 1.00 0.66 O ATOM 2488 CB LEU A 152 6.479 12.964 6.205 1.00 0.74 C ATOM 2489 CG LEU A 152 7.933 13.234 6.650 1.00 0.84 C ATOM 2490 CD1 LEU A 152 8.130 14.744 6.846 1.00 0.92 C ATOM 2491 CD2 LEU A 152 8.284 12.507 7.958 1.00 0.96 C ATOM 0 H LEU A 152 7.257 11.973 4.088 1.00 0.62 H new ATOM 0 HA LEU A 152 6.531 10.865 6.628 1.00 0.68 H new ATOM 0 HB2 LEU A 152 6.250 13.604 5.353 1.00 0.74 H new ATOM 0 HB3 LEU A 152 5.807 13.256 7.012 1.00 0.74 H new ATOM 0 HG LEU A 152 8.593 12.855 5.870 1.00 0.84 H new ATOM 0 HD11 LEU A 152 9.155 14.939 7.160 1.00 0.92 H new ATOM 0 HD12 LEU A 152 7.933 15.261 5.907 1.00 0.92 H new ATOM 0 HD13 LEU A 152 7.441 15.105 7.610 1.00 0.92 H new ATOM 0 HD21 LEU A 152 9.316 12.727 8.231 1.00 0.96 H new ATOM 0 HD22 LEU A 152 7.619 12.845 8.752 1.00 0.96 H new ATOM 0 HD23 LEU A 152 8.167 11.432 7.820 1.00 0.96 H new ATOM 2503 N LYS A 153 4.097 11.738 4.538 1.00 0.62 N ATOM 2504 CA LYS A 153 2.682 11.509 4.254 1.00 0.63 C ATOM 2505 C LYS A 153 2.331 10.025 4.031 1.00 0.55 C ATOM 2506 O LYS A 153 1.267 9.603 4.465 1.00 0.57 O ATOM 2507 CB LYS A 153 2.201 12.446 3.137 1.00 0.77 C ATOM 2508 CG LYS A 153 0.710 12.761 3.332 1.00 1.25 C ATOM 2509 CD LYS A 153 0.119 13.650 2.234 1.00 1.62 C ATOM 2510 CE LYS A 153 0.812 15.015 2.111 1.00 2.10 C ATOM 2511 NZ LYS A 153 0.206 15.828 1.023 1.00 2.71 N ATOM 0 H LYS A 153 4.585 12.283 3.827 1.00 0.62 H new ATOM 0 HA LYS A 153 2.117 11.768 5.150 1.00 0.63 H new ATOM 0 HB2 LYS A 153 2.782 13.368 3.147 1.00 0.77 H new ATOM 0 HB3 LYS A 153 2.360 11.980 2.165 1.00 0.77 H new ATOM 0 HG2 LYS A 153 0.152 11.825 3.369 1.00 1.25 H new ATOM 0 HG3 LYS A 153 0.575 13.251 4.296 1.00 1.25 H new ATOM 0 HD2 LYS A 153 0.188 13.129 1.279 1.00 1.62 H new ATOM 0 HD3 LYS A 153 -0.941 13.806 2.435 1.00 1.62 H new ATOM 0 HE2 LYS A 153 0.735 15.552 3.056 1.00 2.10 H new ATOM 0 HE3 LYS A 153 1.874 14.870 1.913 1.00 2.10 H new ATOM 0 HZ1 LYS A 153 0.859 16.591 0.755 1.00 2.71 H new ATOM 0 HZ2 LYS A 153 0.024 15.222 0.197 1.00 2.71 H new ATOM 0 HZ3 LYS A 153 -0.690 16.240 1.355 1.00 2.71 H new ATOM 2525 N MET A 154 3.216 9.210 3.442 1.00 0.52 N ATOM 2526 CA MET A 154 3.081 7.743 3.337 1.00 0.50 C ATOM 2527 C MET A 154 3.124 7.065 4.705 1.00 0.51 C ATOM 2528 O MET A 154 2.299 6.192 4.971 1.00 0.52 O ATOM 2529 CB MET A 154 4.183 7.151 2.439 1.00 0.50 C ATOM 2530 CG MET A 154 3.878 7.312 0.948 1.00 1.50 C ATOM 2531 SD MET A 154 2.684 6.139 0.251 1.00 2.21 S ATOM 2532 CE MET A 154 3.671 4.619 0.262 1.00 0.91 C ATOM 0 H MET A 154 4.072 9.559 3.011 1.00 0.52 H new ATOM 0 HA MET A 154 2.106 7.550 2.889 1.00 0.50 H new ATOM 0 HB2 MET A 154 5.132 7.637 2.666 1.00 0.50 H new ATOM 0 HB3 MET A 154 4.304 6.092 2.669 1.00 0.50 H new ATOM 0 HG2 MET A 154 3.505 8.322 0.781 1.00 1.50 H new ATOM 0 HG3 MET A 154 4.812 7.221 0.394 1.00 1.50 H new ATOM 0 HE1 MET A 154 3.285 3.929 -0.488 1.00 0.91 H new ATOM 0 HE2 MET A 154 4.710 4.858 0.035 1.00 0.91 H new ATOM 0 HE3 MET A 154 3.613 4.154 1.246 1.00 0.91 H new ATOM 2542 N GLN A 155 4.048 7.468 5.585 1.00 0.54 N ATOM 2543 CA GLN A 155 4.108 6.952 6.956 1.00 0.58 C ATOM 2544 C GLN A 155 2.825 7.290 7.718 1.00 0.57 C ATOM 2545 O GLN A 155 2.268 6.421 8.386 1.00 0.59 O ATOM 2546 CB GLN A 155 5.369 7.487 7.664 1.00 0.65 C ATOM 2547 CG GLN A 155 5.641 6.847 9.042 1.00 1.02 C ATOM 2548 CD GLN A 155 5.041 7.612 10.230 1.00 2.15 C ATOM 2549 OE1 GLN A 155 5.692 8.437 10.860 1.00 2.26 O ATOM 2550 NE2 GLN A 155 3.799 7.374 10.600 1.00 3.96 N ATOM 0 H GLN A 155 4.770 8.156 5.369 1.00 0.54 H new ATOM 0 HA GLN A 155 4.181 5.865 6.930 1.00 0.58 H new ATOM 0 HB2 GLN A 155 6.232 7.318 7.021 1.00 0.65 H new ATOM 0 HB3 GLN A 155 5.271 8.565 7.790 1.00 0.65 H new ATOM 0 HG2 GLN A 155 5.243 5.832 9.042 1.00 1.02 H new ATOM 0 HG3 GLN A 155 6.719 6.767 9.185 1.00 1.02 H new ATOM 0 HE21 GLN A 155 3.237 6.692 10.091 1.00 3.96 H new ATOM 0 HE22 GLN A 155 3.399 7.872 11.395 1.00 3.96 H new ATOM 2559 N LEU A 156 2.331 8.524 7.586 1.00 0.61 N ATOM 2560 CA LEU A 156 1.057 8.980 8.144 1.00 0.68 C ATOM 2561 C LEU A 156 -0.099 8.140 7.584 1.00 0.65 C ATOM 2562 O LEU A 156 -0.843 7.532 8.355 1.00 0.69 O ATOM 2563 CB LEU A 156 0.979 10.502 7.875 1.00 0.79 C ATOM 2564 CG LEU A 156 -0.303 11.298 8.207 1.00 1.01 C ATOM 2565 CD1 LEU A 156 -1.248 11.400 7.004 1.00 1.57 C ATOM 2566 CD2 LEU A 156 -1.083 10.751 9.401 1.00 1.58 C ATOM 0 H LEU A 156 2.823 9.255 7.072 1.00 0.61 H new ATOM 0 HA LEU A 156 0.979 8.834 9.221 1.00 0.68 H new ATOM 0 HB2 LEU A 156 1.797 10.967 8.426 1.00 0.79 H new ATOM 0 HB3 LEU A 156 1.183 10.651 6.815 1.00 0.79 H new ATOM 0 HG LEU A 156 0.062 12.289 8.475 1.00 1.01 H new ATOM 0 HD11 LEU A 156 -2.135 11.968 7.285 1.00 1.57 H new ATOM 0 HD12 LEU A 156 -0.739 11.905 6.183 1.00 1.57 H new ATOM 0 HD13 LEU A 156 -1.543 10.400 6.687 1.00 1.57 H new ATOM 0 HD21 LEU A 156 -1.968 11.364 9.569 1.00 1.58 H new ATOM 0 HD22 LEU A 156 -1.386 9.724 9.198 1.00 1.58 H new ATOM 0 HD23 LEU A 156 -0.452 10.774 10.289 1.00 1.58 H new ATOM 2578 N LEU A 157 -0.198 8.019 6.256 1.00 0.60 N ATOM 2579 CA LEU A 157 -1.235 7.230 5.592 1.00 0.58 C ATOM 2580 C LEU A 157 -1.215 5.781 6.056 1.00 0.62 C ATOM 2581 O LEU A 157 -2.253 5.310 6.507 1.00 0.73 O ATOM 2582 CB LEU A 157 -1.128 7.335 4.054 1.00 0.53 C ATOM 2583 CG LEU A 157 -2.266 8.160 3.431 1.00 0.58 C ATOM 2584 CD1 LEU A 157 -2.321 9.614 3.908 1.00 1.71 C ATOM 2585 CD2 LEU A 157 -2.161 8.120 1.903 1.00 1.61 C ATOM 0 H LEU A 157 0.447 8.471 5.608 1.00 0.60 H new ATOM 0 HA LEU A 157 -2.199 7.650 5.880 1.00 0.58 H new ATOM 0 HB2 LEU A 157 -0.172 7.787 3.791 1.00 0.53 H new ATOM 0 HB3 LEU A 157 -1.135 6.333 3.625 1.00 0.53 H new ATOM 0 HG LEU A 157 -3.193 7.696 3.768 1.00 0.58 H new ATOM 0 HD11 LEU A 157 -3.151 10.126 3.421 1.00 1.71 H new ATOM 0 HD12 LEU A 157 -2.464 9.637 4.988 1.00 1.71 H new ATOM 0 HD13 LEU A 157 -1.387 10.116 3.655 1.00 1.71 H new ATOM 0 HD21 LEU A 157 -2.970 8.706 1.467 1.00 1.61 H new ATOM 0 HD22 LEU A 157 -1.203 8.537 1.593 1.00 1.61 H new ATOM 0 HD23 LEU A 157 -2.235 7.088 1.560 1.00 1.61 H new ATOM 2597 N VAL A 158 -0.064 5.103 6.018 1.00 0.58 N ATOM 2598 CA VAL A 158 0.005 3.690 6.412 1.00 0.59 C ATOM 2599 C VAL A 158 -0.390 3.502 7.879 1.00 0.63 C ATOM 2600 O VAL A 158 -1.148 2.586 8.162 1.00 0.66 O ATOM 2601 CB VAL A 158 1.327 2.981 6.045 1.00 0.57 C ATOM 2602 CG1 VAL A 158 2.491 3.301 6.991 1.00 0.59 C ATOM 2603 CG2 VAL A 158 1.101 1.459 5.984 1.00 0.60 C ATOM 0 H VAL A 158 0.826 5.504 5.722 1.00 0.58 H new ATOM 0 HA VAL A 158 -0.738 3.177 5.802 1.00 0.59 H new ATOM 0 HB VAL A 158 1.619 3.366 5.068 1.00 0.57 H new ATOM 0 HG11 VAL A 158 3.382 2.765 6.665 1.00 0.59 H new ATOM 0 HG12 VAL A 158 2.687 4.373 6.977 1.00 0.59 H new ATOM 0 HG13 VAL A 158 2.232 2.993 8.004 1.00 0.59 H new ATOM 0 HG21 VAL A 158 2.036 0.962 5.725 1.00 0.60 H new ATOM 0 HG22 VAL A 158 0.758 1.103 6.955 1.00 0.60 H new ATOM 0 HG23 VAL A 158 0.349 1.233 5.228 1.00 0.60 H new ATOM 2613 N ARG A 159 0.051 4.369 8.807 1.00 0.64 N ATOM 2614 CA ARG A 159 -0.359 4.289 10.220 1.00 0.71 C ATOM 2615 C ARG A 159 -1.877 4.409 10.353 1.00 0.73 C ATOM 2616 O ARG A 159 -2.501 3.587 11.028 1.00 0.81 O ATOM 2617 CB ARG A 159 0.449 5.306 11.074 1.00 0.76 C ATOM 2618 CG ARG A 159 -0.227 6.199 12.143 1.00 1.27 C ATOM 2619 CD ARG A 159 -1.024 5.560 13.292 1.00 1.08 C ATOM 2620 NE ARG A 159 -0.177 4.648 14.080 1.00 2.00 N ATOM 2621 CZ ARG A 159 -0.588 3.769 14.987 1.00 3.13 C ATOM 2622 NH1 ARG A 159 -1.861 3.618 15.289 1.00 3.76 N ATOM 2623 NH2 ARG A 159 0.295 3.023 15.614 1.00 4.12 N ATOM 0 H ARG A 159 0.693 5.135 8.603 1.00 0.64 H new ATOM 0 HA ARG A 159 -0.115 3.306 10.623 1.00 0.71 H new ATOM 0 HB2 ARG A 159 1.228 4.739 11.585 1.00 0.76 H new ATOM 0 HB3 ARG A 159 0.949 5.976 10.375 1.00 0.76 H new ATOM 0 HG2 ARG A 159 0.554 6.812 12.593 1.00 1.27 H new ATOM 0 HG3 ARG A 159 -0.902 6.876 11.619 1.00 1.27 H new ATOM 0 HD2 ARG A 159 -1.424 6.340 13.939 1.00 1.08 H new ATOM 0 HD3 ARG A 159 -1.876 5.013 12.888 1.00 1.08 H new ATOM 0 HE ARG A 159 0.828 4.697 13.912 1.00 2.00 H new ATOM 0 HH11 ARG A 159 -2.567 4.186 14.821 1.00 3.76 H new ATOM 0 HH12 ARG A 159 -2.141 2.933 15.991 1.00 3.76 H new ATOM 0 HH21 ARG A 159 1.288 3.122 15.403 1.00 4.12 H new ATOM 0 HH22 ARG A 159 -0.013 2.346 16.312 1.00 4.12 H new ATOM 2637 N GLU A 160 -2.479 5.415 9.726 1.00 0.67 N ATOM 2638 CA GLU A 160 -3.889 5.720 9.966 1.00 0.69 C ATOM 2639 C GLU A 160 -4.863 4.857 9.152 1.00 0.71 C ATOM 2640 O GLU A 160 -5.932 4.509 9.650 1.00 0.80 O ATOM 2641 CB GLU A 160 -4.151 7.223 9.847 1.00 0.84 C ATOM 2642 CG GLU A 160 -3.218 7.972 10.808 1.00 1.56 C ATOM 2643 CD GLU A 160 -3.570 9.430 11.078 1.00 2.08 C ATOM 2644 OE1 GLU A 160 -4.413 10.009 10.359 1.00 2.90 O ATOM 2645 OE2 GLU A 160 -2.969 9.977 12.029 1.00 2.94 O ATOM 0 H GLU A 160 -2.019 6.029 9.054 1.00 0.67 H new ATOM 0 HA GLU A 160 -4.101 5.438 10.997 1.00 0.69 H new ATOM 0 HB2 GLU A 160 -3.981 7.555 8.823 1.00 0.84 H new ATOM 0 HB3 GLU A 160 -5.192 7.443 10.085 1.00 0.84 H new ATOM 0 HG2 GLU A 160 -3.205 7.440 11.759 1.00 1.56 H new ATOM 0 HG3 GLU A 160 -2.206 7.931 10.406 1.00 1.56 H new ATOM 2652 N SER A 161 -4.495 4.434 7.941 1.00 0.66 N ATOM 2653 CA SER A 161 -5.261 3.439 7.186 1.00 0.69 C ATOM 2654 C SER A 161 -5.225 2.067 7.867 1.00 0.70 C ATOM 2655 O SER A 161 -6.265 1.425 7.976 1.00 0.70 O ATOM 2656 CB SER A 161 -4.786 3.345 5.730 1.00 0.69 C ATOM 2657 OG SER A 161 -3.535 2.686 5.598 1.00 2.14 O ATOM 0 H SER A 161 -3.662 4.769 7.457 1.00 0.66 H new ATOM 0 HA SER A 161 -6.298 3.775 7.173 1.00 0.69 H new ATOM 0 HB2 SER A 161 -5.535 2.813 5.143 1.00 0.69 H new ATOM 0 HB3 SER A 161 -4.708 4.349 5.313 1.00 0.69 H new ATOM 0 HG SER A 161 -2.818 3.283 5.897 1.00 2.14 H new ATOM 2663 N LEU A 162 -4.063 1.638 8.383 1.00 0.75 N ATOM 2664 CA LEU A 162 -3.870 0.348 9.054 1.00 0.84 C ATOM 2665 C LEU A 162 -4.847 0.198 10.213 1.00 0.73 C ATOM 2666 O LEU A 162 -5.591 -0.777 10.270 1.00 0.78 O ATOM 2667 CB LEU A 162 -2.420 0.332 9.567 1.00 1.12 C ATOM 2668 CG LEU A 162 -1.980 -0.818 10.490 1.00 1.85 C ATOM 2669 CD1 LEU A 162 -1.446 -1.965 9.628 1.00 1.52 C ATOM 2670 CD2 LEU A 162 -0.923 -0.281 11.473 1.00 3.61 C ATOM 0 H LEU A 162 -3.210 2.196 8.343 1.00 0.75 H new ATOM 0 HA LEU A 162 -4.052 -0.480 8.369 1.00 0.84 H new ATOM 0 HB2 LEU A 162 -1.761 0.331 8.699 1.00 1.12 H new ATOM 0 HB3 LEU A 162 -2.246 1.268 10.098 1.00 1.12 H new ATOM 0 HG LEU A 162 -2.815 -1.204 11.075 1.00 1.85 H new ATOM 0 HD11 LEU A 162 -1.131 -2.787 10.271 1.00 1.52 H new ATOM 0 HD12 LEU A 162 -2.231 -2.311 8.956 1.00 1.52 H new ATOM 0 HD13 LEU A 162 -0.595 -1.615 9.043 1.00 1.52 H new ATOM 0 HD21 LEU A 162 -0.600 -1.085 12.135 1.00 3.61 H new ATOM 0 HD22 LEU A 162 -0.066 0.096 10.915 1.00 3.61 H new ATOM 0 HD23 LEU A 162 -1.354 0.526 12.065 1.00 3.61 H new ATOM 2682 N MET A 163 -4.877 1.182 11.113 1.00 0.67 N ATOM 2683 CA MET A 163 -5.736 1.153 12.296 1.00 0.68 C ATOM 2684 C MET A 163 -7.223 1.253 11.937 1.00 0.63 C ATOM 2685 O MET A 163 -8.029 0.529 12.517 1.00 0.67 O ATOM 2686 CB MET A 163 -5.265 2.194 13.325 1.00 0.80 C ATOM 2687 CG MET A 163 -5.467 3.628 12.839 1.00 1.00 C ATOM 2688 SD MET A 163 -4.674 4.896 13.848 1.00 1.73 S ATOM 2689 CE MET A 163 -5.573 6.310 13.172 1.00 1.05 C ATOM 0 H MET A 163 -4.305 2.023 11.041 1.00 0.67 H new ATOM 0 HA MET A 163 -5.638 0.178 12.774 1.00 0.68 H new ATOM 0 HB2 MET A 163 -5.809 2.050 14.258 1.00 0.80 H new ATOM 0 HB3 MET A 163 -4.209 2.033 13.543 1.00 0.80 H new ATOM 0 HG2 MET A 163 -5.088 3.707 11.820 1.00 1.00 H new ATOM 0 HG3 MET A 163 -6.537 3.834 12.798 1.00 1.00 H new ATOM 0 HE1 MET A 163 -4.949 7.202 13.235 1.00 1.05 H new ATOM 0 HE2 MET A 163 -5.825 6.116 12.129 1.00 1.05 H new ATOM 0 HE3 MET A 163 -6.488 6.466 13.743 1.00 1.05 H new ATOM 2699 N ALA A 164 -7.601 2.103 10.977 1.00 0.58 N ATOM 2700 CA ALA A 164 -8.992 2.273 10.551 1.00 0.57 C ATOM 2701 C ALA A 164 -9.539 1.044 9.817 1.00 0.63 C ATOM 2702 O ALA A 164 -10.654 0.609 10.101 1.00 0.69 O ATOM 2703 CB ALA A 164 -9.072 3.525 9.672 1.00 0.55 C ATOM 0 H ALA A 164 -6.944 2.697 10.470 1.00 0.58 H new ATOM 0 HA ALA A 164 -9.619 2.390 11.435 1.00 0.57 H new ATOM 0 HB1 ALA A 164 -10.100 3.673 9.342 1.00 0.55 H new ATOM 0 HB2 ALA A 164 -8.747 4.393 10.245 1.00 0.55 H new ATOM 0 HB3 ALA A 164 -8.426 3.401 8.803 1.00 0.55 H new ATOM 2709 N LEU A 165 -8.744 0.454 8.920 1.00 0.67 N ATOM 2710 CA LEU A 165 -9.102 -0.755 8.173 1.00 0.77 C ATOM 2711 C LEU A 165 -9.185 -1.932 9.147 1.00 0.82 C ATOM 2712 O LEU A 165 -10.156 -2.685 9.124 1.00 0.88 O ATOM 2713 CB LEU A 165 -8.045 -0.962 7.064 1.00 0.81 C ATOM 2714 CG LEU A 165 -8.378 -1.868 5.862 1.00 1.02 C ATOM 2715 CD1 LEU A 165 -8.894 -3.264 6.227 1.00 1.51 C ATOM 2716 CD2 LEU A 165 -9.345 -1.179 4.890 1.00 1.74 C ATOM 0 H LEU A 165 -7.817 0.810 8.688 1.00 0.67 H new ATOM 0 HA LEU A 165 -10.077 -0.668 7.694 1.00 0.77 H new ATOM 0 HB2 LEU A 165 -7.786 0.021 6.671 1.00 0.81 H new ATOM 0 HB3 LEU A 165 -7.148 -1.362 7.537 1.00 0.81 H new ATOM 0 HG LEU A 165 -7.418 -2.029 5.371 1.00 1.02 H new ATOM 0 HD11 LEU A 165 -9.100 -3.825 5.316 1.00 1.51 H new ATOM 0 HD12 LEU A 165 -8.140 -3.789 6.814 1.00 1.51 H new ATOM 0 HD13 LEU A 165 -9.809 -3.172 6.812 1.00 1.51 H new ATOM 0 HD21 LEU A 165 -9.558 -1.846 4.055 1.00 1.74 H new ATOM 0 HD22 LEU A 165 -10.273 -0.939 5.409 1.00 1.74 H new ATOM 0 HD23 LEU A 165 -8.892 -0.261 4.515 1.00 1.74 H new ATOM 2728 N MET A 166 -8.226 -2.037 10.076 1.00 0.80 N ATOM 2729 CA MET A 166 -8.233 -3.071 11.113 1.00 0.88 C ATOM 2730 C MET A 166 -9.455 -2.935 12.025 1.00 0.87 C ATOM 2731 O MET A 166 -10.142 -3.927 12.256 1.00 0.92 O ATOM 2732 CB MET A 166 -6.903 -3.045 11.881 1.00 0.94 C ATOM 2733 CG MET A 166 -6.734 -4.258 12.796 1.00 1.46 C ATOM 2734 SD MET A 166 -7.545 -4.185 14.410 1.00 3.13 S ATOM 2735 CE MET A 166 -7.309 -5.925 14.841 1.00 2.55 C ATOM 0 H MET A 166 -7.425 -1.407 10.128 1.00 0.80 H new ATOM 0 HA MET A 166 -8.320 -4.051 10.645 1.00 0.88 H new ATOM 0 HB2 MET A 166 -6.077 -3.011 11.171 1.00 0.94 H new ATOM 0 HB3 MET A 166 -6.848 -2.134 12.477 1.00 0.94 H new ATOM 0 HG2 MET A 166 -7.107 -5.136 12.268 1.00 1.46 H new ATOM 0 HG3 MET A 166 -5.668 -4.414 12.959 1.00 1.46 H new ATOM 0 HE1 MET A 166 -7.983 -6.193 15.655 1.00 2.55 H new ATOM 0 HE2 MET A 166 -7.523 -6.547 13.972 1.00 2.55 H new ATOM 0 HE3 MET A 166 -6.278 -6.085 15.156 1.00 2.55 H new ATOM 2745 N ARG A 167 -9.818 -1.718 12.449 1.00 0.81 N ATOM 2746 CA ARG A 167 -11.029 -1.461 13.244 1.00 0.84 C ATOM 2747 C ARG A 167 -12.340 -1.801 12.515 1.00 0.88 C ATOM 2748 O ARG A 167 -13.346 -2.065 13.177 1.00 0.98 O ATOM 2749 CB ARG A 167 -11.045 0.003 13.730 1.00 0.84 C ATOM 2750 CG ARG A 167 -10.293 0.224 15.053 1.00 1.14 C ATOM 2751 CD ARG A 167 -10.858 -0.641 16.194 1.00 1.87 C ATOM 2752 NE ARG A 167 -10.779 0.038 17.501 1.00 2.16 N ATOM 2753 CZ ARG A 167 -11.757 0.707 18.104 1.00 3.02 C ATOM 2754 NH1 ARG A 167 -12.944 0.868 17.554 1.00 3.69 N ATOM 2755 NH2 ARG A 167 -11.553 1.231 19.292 1.00 3.89 N ATOM 0 H ARG A 167 -9.277 -0.877 12.249 1.00 0.81 H new ATOM 0 HA ARG A 167 -10.981 -2.137 14.098 1.00 0.84 H new ATOM 0 HB2 ARG A 167 -10.603 0.637 12.961 1.00 0.84 H new ATOM 0 HB3 ARG A 167 -12.079 0.325 13.852 1.00 0.84 H new ATOM 0 HG2 ARG A 167 -9.237 -0.008 14.912 1.00 1.14 H new ATOM 0 HG3 ARG A 167 -10.354 1.276 15.332 1.00 1.14 H new ATOM 0 HD2 ARG A 167 -11.897 -0.890 15.978 1.00 1.87 H new ATOM 0 HD3 ARG A 167 -10.308 -1.581 16.241 1.00 1.87 H new ATOM 0 HE ARG A 167 -9.886 -0.010 17.991 1.00 2.16 H new ATOM 0 HH11 ARG A 167 -13.138 0.473 16.634 1.00 3.69 H new ATOM 0 HH12 ARG A 167 -13.669 1.388 18.048 1.00 3.69 H new ATOM 0 HH21 ARG A 167 -10.647 1.124 19.748 1.00 3.89 H new ATOM 0 HH22 ARG A 167 -12.301 1.745 19.758 1.00 3.89 H new ATOM 2769 N LEU A 168 -12.342 -1.817 11.179 1.00 0.87 N ATOM 2770 CA LEU A 168 -13.492 -2.191 10.344 1.00 0.93 C ATOM 2771 C LEU A 168 -13.517 -3.687 9.967 1.00 1.06 C ATOM 2772 O LEU A 168 -14.554 -4.181 9.524 1.00 1.32 O ATOM 2773 CB LEU A 168 -13.510 -1.252 9.116 1.00 0.84 C ATOM 2774 CG LEU A 168 -14.814 -0.433 9.022 1.00 0.82 C ATOM 2775 CD1 LEU A 168 -14.547 0.894 8.305 1.00 1.83 C ATOM 2776 CD2 LEU A 168 -15.912 -1.237 8.314 1.00 1.80 C ATOM 0 H LEU A 168 -11.520 -1.563 10.630 1.00 0.87 H new ATOM 0 HA LEU A 168 -14.410 -2.060 10.916 1.00 0.93 H new ATOM 0 HB2 LEU A 168 -12.660 -0.572 9.169 1.00 0.84 H new ATOM 0 HB3 LEU A 168 -13.389 -1.843 8.208 1.00 0.84 H new ATOM 0 HG LEU A 168 -15.167 -0.214 10.030 1.00 0.82 H new ATOM 0 HD11 LEU A 168 -15.472 1.466 8.243 1.00 1.83 H new ATOM 0 HD12 LEU A 168 -13.804 1.465 8.861 1.00 1.83 H new ATOM 0 HD13 LEU A 168 -14.174 0.696 7.300 1.00 1.83 H new ATOM 0 HD21 LEU A 168 -16.822 -0.640 8.259 1.00 1.80 H new ATOM 0 HD22 LEU A 168 -15.584 -1.492 7.306 1.00 1.80 H new ATOM 0 HD23 LEU A 168 -16.111 -2.151 8.873 1.00 1.80 H new ATOM 2788 N ASN A 169 -12.413 -4.419 10.166 1.00 1.00 N ATOM 2789 CA ASN A 169 -12.293 -5.855 9.871 1.00 1.13 C ATOM 2790 C ASN A 169 -12.286 -6.741 11.140 1.00 1.20 C ATOM 2791 O ASN A 169 -12.929 -7.789 11.176 1.00 1.33 O ATOM 2792 CB ASN A 169 -11.014 -6.061 9.045 1.00 1.21 C ATOM 2793 CG ASN A 169 -11.026 -7.427 8.374 1.00 1.54 C ATOM 2794 OD1 ASN A 169 -11.648 -7.619 7.336 1.00 2.05 O ATOM 2795 ND2 ASN A 169 -10.382 -8.425 8.944 1.00 2.11 N ATOM 0 H ASN A 169 -11.555 -4.019 10.547 1.00 1.00 H new ATOM 0 HA ASN A 169 -13.172 -6.169 9.309 1.00 1.13 H new ATOM 0 HB2 ASN A 169 -10.932 -5.279 8.290 1.00 1.21 H new ATOM 0 HB3 ASN A 169 -10.140 -5.974 9.690 1.00 1.21 H new ATOM 0 HD21 ASN A 169 -10.402 -9.353 8.521 1.00 2.11 H new ATOM 0 HD22 ASN A 169 -9.863 -8.270 9.808 1.00 2.11 H new ATOM 2802 N ASP A 170 -11.555 -6.310 12.174 1.00 1.19 N ATOM 2803 CA ASP A 170 -11.450 -6.808 13.557 1.00 1.19 C ATOM 2804 C ASP A 170 -10.658 -8.120 13.720 1.00 1.91 C ATOM 2805 O ASP A 170 -9.947 -8.278 14.716 1.00 2.35 O ATOM 2806 CB ASP A 170 -12.832 -6.891 14.224 1.00 1.43 C ATOM 2807 CG ASP A 170 -12.711 -6.916 15.758 1.00 2.18 C ATOM 2808 OD1 ASP A 170 -12.414 -5.851 16.352 1.00 2.45 O ATOM 2809 OD2 ASP A 170 -12.943 -7.986 16.369 1.00 3.51 O ATOM 0 H ASP A 170 -10.945 -5.502 12.048 1.00 1.19 H new ATOM 0 HA ASP A 170 -10.851 -6.063 14.080 1.00 1.19 H new ATOM 0 HB2 ASP A 170 -13.438 -6.038 13.919 1.00 1.43 H new ATOM 0 HB3 ASP A 170 -13.350 -7.788 13.883 1.00 1.43 H new ATOM 2814 N GLU A 171 -10.726 -9.030 12.741 1.00 2.49 N ATOM 2815 CA GLU A 171 -9.801 -10.175 12.626 1.00 3.63 C ATOM 2816 C GLU A 171 -8.466 -9.801 11.955 1.00 4.29 C ATOM 2817 O GLU A 171 -8.471 -9.020 10.970 1.00 4.74 O ATOM 2818 CB GLU A 171 -10.469 -11.405 11.976 1.00 4.14 C ATOM 2819 CG GLU A 171 -10.812 -11.272 10.482 1.00 4.61 C ATOM 2820 CD GLU A 171 -11.313 -12.580 9.826 1.00 5.35 C ATOM 2821 OE1 GLU A 171 -10.933 -13.700 10.243 1.00 6.03 O ATOM 2822 OE2 GLU A 171 -12.032 -12.513 8.800 1.00 5.86 O ATOM 2823 OXT GLU A 171 -7.426 -10.292 12.448 1.00 5.08 O ATOM 0 H GLU A 171 -11.426 -8.997 12.000 1.00 2.49 H new ATOM 0 HA GLU A 171 -9.549 -10.465 13.646 1.00 3.63 H new ATOM 0 HB2 GLU A 171 -9.808 -12.262 12.102 1.00 4.14 H new ATOM 0 HB3 GLU A 171 -11.386 -11.627 12.521 1.00 4.14 H new ATOM 0 HG2 GLU A 171 -11.576 -10.504 10.363 1.00 4.61 H new ATOM 0 HG3 GLU A 171 -9.927 -10.927 9.947 1.00 4.61 H new TER 2830 GLU A 171 HETATM 2831 C8 HTF A 172 -4.106 -7.675 -8.169 1.00 1.39 C HETATM 2832 C7 HTF A 172 -2.694 -7.269 -7.751 1.00 1.92 C HETATM 2833 C6 HTF A 172 -2.645 -6.896 -6.267 1.00 1.45 C HETATM 2834 C5 HTF A 172 -1.188 -6.694 -5.845 1.00 1.61 C HETATM 2835 C4 HTF A 172 -1.085 -6.410 -4.342 1.00 1.49 C HETATM 2836 C3 HTF A 172 0.375 -6.361 -3.871 1.00 1.72 C HETATM 2837 C2 HTF A 172 1.050 -4.991 -4.030 1.00 2.31 C HETATM 2838 C1 HTF A 172 1.244 -4.465 -5.446 1.00 2.06 C HETATM 2839 O1 HTF A 172 0.535 -3.553 -5.862 1.00 3.08 O HETATM 2840 N HTF A 172 2.246 -4.951 -6.179 1.00 1.45 N HETATM 2841 CA HTF A 172 2.715 -4.285 -7.405 1.00 1.58 C HETATM 2842 C HTF A 172 2.015 -4.636 -8.717 1.00 2.24 C HETATM 2843 O HTF A 172 0.813 -4.878 -8.822 1.00 3.40 O HETATM 2844 OD HTF A 172 2.901 -4.683 -9.697 1.00 2.36 O HETATM 2845 CG HTF A 172 4.207 -4.402 -9.229 1.00 2.14 C HETATM 2846 CB HTF A 172 4.164 -4.647 -7.713 1.00 2.12 C HETATM 0 HN HTF A 172 2.703 -5.813 -5.880 1.00 1.45 H new HETATM 0 HG3 HTF A 172 4.943 -5.047 -9.710 1.00 2.14 H new HETATM 0 HG2 HTF A 172 4.490 -3.373 -9.452 1.00 2.14 H new HETATM 0 HB3 HTF A 172 4.871 -4.017 -7.173 1.00 2.12 H new HETATM 0 HB2 HTF A 172 4.395 -5.680 -7.455 1.00 2.12 H new HETATM 0 HA HTF A 172 2.519 -3.244 -7.147 1.00 1.58 H new HETATM 0 H83 HTF A 172 -4.426 -8.536 -7.582 1.00 1.39 H new HETATM 0 H82 HTF A 172 -4.790 -6.844 -7.996 1.00 1.39 H new HETATM 0 H81 HTF A 172 -4.112 -7.935 -9.228 1.00 1.39 H new HETATM 0 H73 HTF A 172 -2.003 -8.090 -7.946 1.00 1.92 H new HETATM 0 H72 HTF A 172 -2.362 -6.423 -8.353 1.00 1.92 H new HETATM 0 H63 HTF A 172 -3.217 -5.985 -6.090 1.00 1.45 H new HETATM 0 H62 HTF A 172 -3.104 -7.682 -5.667 1.00 1.45 H new HETATM 0 H53 HTF A 172 -0.608 -7.583 -6.091 1.00 1.61 H new HETATM 0 H52 HTF A 172 -0.755 -5.866 -6.406 1.00 1.61 H new HETATM 0 H43 HTF A 172 -1.572 -5.461 -4.117 1.00 1.49 H new HETATM 0 H42 HTF A 172 -1.620 -7.182 -3.789 1.00 1.49 H new HETATM 0 H33 HTF A 172 0.415 -6.652 -2.821 1.00 1.72 H new HETATM 0 H32 HTF A 172 0.948 -7.101 -4.429 1.00 1.72 H new HETATM 0 H23 HTF A 172 0.461 -4.259 -3.477 1.00 2.31 H new HETATM 0 H22 HTF A 172 2.028 -5.040 -3.552 1.00 2.31 H new