USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 ASN : amide:sc= 0 X(o=0.8,f=0.75) USER MOD Set 1.2: A 75 SER OG : rot 5:sc= 0.796 USER MOD Set 2.1: A 24 THR OG1 : rot 130:sc= -0.408 USER MOD Set 2.2: A 83 HIS : no HD1:sc= -1.21 X(o=-1.6,f=-1.9) USER MOD Single : A 2 ASN : amide:sc= -0.0276 K(o=-0.028,f=-1.5!) USER MOD Single : A 5 LYS NZ :NH3+ 147:sc= -2.04 (180deg=-3.32!) USER MOD Single : A 6 ASN : amide:sc= -5.4! C(o=-5.4!,f=-8.9!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0844 USER MOD Single : A 12 ASN : amide:sc= -1.01 K(o=-1,f=-4.2!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.2!) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0529) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.987 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 47 TYR OH : rot 153:sc= 1.19 USER MOD Single : A 49 LYS NZ :NH3+ -163:sc= -0.62 (180deg=-0.755) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= -1.11 (180deg=-1.44) USER MOD Single : A 55 THR OG1 : rot 127:sc= 1.89 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.222 USER MOD Single : A 68 ASN :FLIP amide:sc= -12.8! C(o=-17!,f=-13!) USER MOD Single : A 69 ASN :FLIP amide:sc= 0.0133 F(o=-0.74,f=0.013) USER MOD Single : A 71 SER OG : rot 64:sc= -1.69 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 41:sc= 0.375 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= -0.0176 USER MOD Single : A 85 MET CE :methyl 180:sc= -0.0678 (180deg=-0.0678) USER MOD Single : A 87 LYS NZ :NH3+ -170:sc= -0.0159 (180deg=-0.156) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 61:sc= 1.11 USER MOD Single : A 91 ASN : amide:sc= -0.585 K(o=-0.59,f=-4.9!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 178:sc= -2.97 (180deg=-2.97) USER MOD Single : A 100 GLN : amide:sc= -3.76! C(o=-3.8!,f=-9.3!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ASN A 2 3.932 -1.026 -0.503 1.00 54.34 N ATOM 9 CA ASN A 2 4.851 -2.132 -0.742 1.00 60.31 C ATOM 10 C ASN A 2 5.958 -2.156 0.308 1.00 73.31 C ATOM 11 O ASN A 2 5.969 -1.343 1.232 1.00 44.21 O ATOM 12 CB ASN A 2 5.462 -2.023 -2.141 1.00 11.34 C ATOM 13 CG ASN A 2 4.456 -2.320 -3.236 1.00 20.42 C ATOM 14 OD1 ASN A 2 3.432 -2.961 -2.996 1.00 41.52 O ATOM 15 ND2 ASN A 2 4.745 -1.856 -4.446 1.00 35.10 N ATOM 0 HA ASN A 2 4.287 -3.062 -0.671 1.00 60.31 H new ATOM 0 HB2 ASN A 2 5.863 -1.019 -2.282 1.00 11.34 H new ATOM 0 HB3 ASN A 2 6.300 -2.715 -2.224 1.00 11.34 H new ATOM 0 HD21 ASN A 2 4.107 -2.026 -5.223 1.00 35.10 H new ATOM 0 HD22 ASN A 2 5.605 -1.330 -4.598 1.00 35.10 H new ATOM 22 N VAL A 3 6.887 -3.095 0.159 1.00 43.42 N ATOM 23 CA VAL A 3 8.000 -3.224 1.093 1.00 74.14 C ATOM 24 C VAL A 3 9.335 -3.008 0.390 1.00 61.43 C ATOM 25 O VAL A 3 9.773 -3.842 -0.404 1.00 42.03 O ATOM 26 CB VAL A 3 8.006 -4.608 1.770 1.00 52.53 C ATOM 27 CG1 VAL A 3 7.022 -4.639 2.929 1.00 31.22 C ATOM 28 CG2 VAL A 3 7.685 -5.697 0.758 1.00 61.04 C ATOM 0 H VAL A 3 6.891 -3.777 -0.599 1.00 43.42 H new ATOM 0 HA VAL A 3 7.866 -2.456 1.854 1.00 74.14 H new ATOM 0 HB VAL A 3 9.004 -4.795 2.167 1.00 52.53 H new ATOM 0 HG11 VAL A 3 7.040 -5.624 3.395 1.00 31.22 H new ATOM 0 HG12 VAL A 3 7.302 -3.885 3.664 1.00 31.22 H new ATOM 0 HG13 VAL A 3 6.018 -4.431 2.560 1.00 31.22 H new ATOM 0 HG21 VAL A 3 7.694 -6.668 1.253 1.00 61.04 H new ATOM 0 HG22 VAL A 3 6.699 -5.517 0.330 1.00 61.04 H new ATOM 0 HG23 VAL A 3 8.432 -5.688 -0.036 1.00 61.04 H new ATOM 38 N LEU A 4 9.979 -1.885 0.687 1.00 52.13 N ATOM 39 CA LEU A 4 11.266 -1.559 0.084 1.00 45.43 C ATOM 40 C LEU A 4 12.266 -1.109 1.144 1.00 1.24 C ATOM 41 O LEU A 4 11.893 -0.498 2.146 1.00 34.32 O ATOM 42 CB LEU A 4 11.095 -0.463 -0.970 1.00 5.34 C ATOM 43 CG LEU A 4 10.086 0.637 -0.637 1.00 25.15 C ATOM 44 CD1 LEU A 4 10.575 1.983 -1.149 1.00 72.34 C ATOM 45 CD2 LEU A 4 8.722 0.304 -1.222 1.00 61.04 C ATOM 0 H LEU A 4 9.631 -1.185 1.342 1.00 52.13 H new ATOM 0 HA LEU A 4 11.653 -2.458 -0.395 1.00 45.43 H new ATOM 0 HB2 LEU A 4 12.066 0.002 -1.142 1.00 5.34 H new ATOM 0 HB3 LEU A 4 10.795 -0.932 -1.907 1.00 5.34 H new ATOM 0 HG LEU A 4 9.988 0.698 0.447 1.00 25.15 H new ATOM 0 HD11 LEU A 4 9.844 2.753 -0.903 1.00 72.34 H new ATOM 0 HD12 LEU A 4 11.529 2.225 -0.681 1.00 72.34 H new ATOM 0 HD13 LEU A 4 10.703 1.936 -2.230 1.00 72.34 H new ATOM 0 HD21 LEU A 4 8.017 1.098 -0.975 1.00 61.04 H new ATOM 0 HD22 LEU A 4 8.803 0.214 -2.305 1.00 61.04 H new ATOM 0 HD23 LEU A 4 8.368 -0.639 -0.805 1.00 61.04 H new ATOM 57 N LYS A 5 13.539 -1.413 0.917 1.00 44.34 N ATOM 58 CA LYS A 5 14.595 -1.037 1.850 1.00 72.31 C ATOM 59 C LYS A 5 15.953 -1.019 1.156 1.00 23.54 C ATOM 60 O LYS A 5 16.544 0.041 0.955 1.00 74.23 O ATOM 61 CB LYS A 5 14.627 -2.008 3.033 1.00 51.32 C ATOM 62 CG LYS A 5 15.571 -1.581 4.144 1.00 72.41 C ATOM 63 CD LYS A 5 15.307 -0.151 4.582 1.00 55.54 C ATOM 64 CE LYS A 5 15.587 0.039 6.065 1.00 53.45 C ATOM 65 NZ LYS A 5 16.657 -0.875 6.548 1.00 24.53 N ATOM 0 H LYS A 5 13.865 -1.919 0.094 1.00 44.34 H new ATOM 0 HA LYS A 5 14.381 -0.033 2.217 1.00 72.31 H new ATOM 0 HB2 LYS A 5 13.621 -2.105 3.440 1.00 51.32 H new ATOM 0 HB3 LYS A 5 14.923 -2.994 2.675 1.00 51.32 H new ATOM 0 HG2 LYS A 5 15.457 -2.250 4.997 1.00 72.41 H new ATOM 0 HG3 LYS A 5 16.602 -1.673 3.802 1.00 72.41 H new ATOM 0 HD2 LYS A 5 15.932 0.529 4.003 1.00 55.54 H new ATOM 0 HD3 LYS A 5 14.270 0.110 4.370 1.00 55.54 H new ATOM 0 HE2 LYS A 5 15.881 1.072 6.250 1.00 53.45 H new ATOM 0 HE3 LYS A 5 14.674 -0.139 6.633 1.00 53.45 H new ATOM 0 HZ1 LYS A 5 17.200 -0.406 7.301 1.00 24.53 H new ATOM 0 HZ2 LYS A 5 16.228 -1.745 6.922 1.00 24.53 H new ATOM 0 HZ3 LYS A 5 17.292 -1.113 5.760 1.00 24.53 H new ATOM 79 N ASN A 6 16.443 -2.201 0.793 1.00 55.53 N ATOM 80 CA ASN A 6 17.731 -2.320 0.121 1.00 43.24 C ATOM 81 C ASN A 6 17.621 -1.908 -1.344 1.00 60.34 C ATOM 82 O ASN A 6 16.536 -1.922 -1.923 1.00 73.13 O ATOM 83 CB ASN A 6 18.251 -3.755 0.221 1.00 24.20 C ATOM 84 CG ASN A 6 19.765 -3.827 0.161 1.00 20.32 C ATOM 85 OD1 ASN A 6 20.447 -2.802 0.161 1.00 72.24 O ATOM 86 ND2 ASN A 6 20.298 -5.043 0.110 1.00 13.41 N ATOM 0 H ASN A 6 15.967 -3.089 0.953 1.00 55.53 H new ATOM 0 HA ASN A 6 18.434 -1.650 0.616 1.00 43.24 H new ATOM 0 HB2 ASN A 6 17.906 -4.199 1.154 1.00 24.20 H new ATOM 0 HB3 ASN A 6 17.829 -4.349 -0.590 1.00 24.20 H new ATOM 0 HD21 ASN A 6 21.311 -5.154 0.069 1.00 13.41 H new ATOM 0 HD22 ASN A 6 19.694 -5.865 0.112 1.00 13.41 H new ATOM 93 N ASN A 7 18.753 -1.543 -1.938 1.00 11.05 N ATOM 94 CA ASN A 7 18.784 -1.127 -3.335 1.00 72.52 C ATOM 95 C ASN A 7 18.534 0.372 -3.462 1.00 43.25 C ATOM 96 O ASN A 7 19.429 1.133 -3.834 1.00 13.03 O ATOM 97 CB ASN A 7 17.738 -1.900 -4.142 1.00 22.22 C ATOM 98 CG ASN A 7 18.148 -2.088 -5.590 1.00 23.43 C ATOM 99 OD1 ASN A 7 18.767 -1.210 -6.191 1.00 13.35 O ATOM 100 ND2 ASN A 7 17.804 -3.239 -6.157 1.00 42.31 N ATOM 0 H ASN A 7 19.661 -1.527 -1.473 1.00 11.05 H new ATOM 0 HA ASN A 7 19.775 -1.347 -3.732 1.00 72.52 H new ATOM 0 HB2 ASN A 7 17.577 -2.876 -3.683 1.00 22.22 H new ATOM 0 HB3 ASN A 7 16.787 -1.369 -4.103 1.00 22.22 H new ATOM 0 HD21 ASN A 7 18.053 -3.423 -7.129 1.00 42.31 H new ATOM 0 HD22 ASN A 7 17.291 -3.939 -5.621 1.00 42.31 H new ATOM 107 N THR A 8 17.312 0.792 -3.151 1.00 73.23 N ATOM 108 CA THR A 8 16.943 2.200 -3.231 1.00 64.41 C ATOM 109 C THR A 8 16.377 2.696 -1.906 1.00 23.25 C ATOM 110 O THR A 8 15.320 2.257 -1.451 1.00 43.43 O ATOM 111 CB THR A 8 15.907 2.447 -4.344 1.00 1.14 C ATOM 112 OG1 THR A 8 16.384 1.915 -5.584 1.00 60.15 O ATOM 113 CG2 THR A 8 15.624 3.934 -4.499 1.00 24.32 C ATOM 0 H THR A 8 16.560 0.176 -2.841 1.00 73.23 H new ATOM 0 HA THR A 8 17.853 2.753 -3.463 1.00 64.41 H new ATOM 0 HB THR A 8 14.981 1.944 -4.066 1.00 1.14 H new ATOM 0 HG1 THR A 8 15.719 2.075 -6.286 1.00 60.15 H new ATOM 0 HG21 THR A 8 14.890 4.084 -5.290 1.00 24.32 H new ATOM 0 HG22 THR A 8 15.233 4.330 -3.562 1.00 24.32 H new ATOM 0 HG23 THR A 8 16.546 4.455 -4.756 1.00 24.32 H new ATOM 121 N PRO A 9 17.095 3.633 -1.269 1.00 11.05 N ATOM 122 CA PRO A 9 16.682 4.210 0.014 1.00 0.22 C ATOM 123 C PRO A 9 15.453 5.103 -0.121 1.00 2.04 C ATOM 124 O PRO A 9 15.231 5.717 -1.164 1.00 41.31 O ATOM 125 CB PRO A 9 17.899 5.036 0.440 1.00 72.23 C ATOM 126 CG PRO A 9 18.593 5.371 -0.835 1.00 3.52 C ATOM 127 CD PRO A 9 18.364 4.202 -1.752 1.00 23.23 C ATOM 0 HA PRO A 9 16.398 3.442 0.734 1.00 0.22 H new ATOM 0 HB2 PRO A 9 17.599 5.936 0.976 1.00 72.23 H new ATOM 0 HB3 PRO A 9 18.548 4.469 1.107 1.00 72.23 H new ATOM 0 HG2 PRO A 9 18.194 6.289 -1.266 1.00 3.52 H new ATOM 0 HG3 PRO A 9 19.658 5.533 -0.668 1.00 3.52 H new ATOM 0 HD2 PRO A 9 18.293 4.516 -2.793 1.00 23.23 H new ATOM 0 HD3 PRO A 9 19.177 3.479 -1.692 1.00 23.23 H new ATOM 135 N VAL A 10 14.657 5.171 0.942 1.00 63.11 N ATOM 136 CA VAL A 10 13.451 5.990 0.942 1.00 2.25 C ATOM 137 C VAL A 10 13.789 7.465 1.135 1.00 74.54 C ATOM 138 O VAL A 10 14.264 7.870 2.195 1.00 13.12 O ATOM 139 CB VAL A 10 12.474 5.550 2.049 1.00 42.11 C ATOM 140 CG1 VAL A 10 11.143 6.271 1.904 1.00 51.32 C ATOM 141 CG2 VAL A 10 12.279 4.042 2.018 1.00 61.24 C ATOM 0 H VAL A 10 14.826 4.669 1.814 1.00 63.11 H new ATOM 0 HA VAL A 10 12.975 5.853 -0.029 1.00 2.25 H new ATOM 0 HB VAL A 10 12.902 5.818 3.015 1.00 42.11 H new ATOM 0 HG11 VAL A 10 10.466 5.947 2.695 1.00 51.32 H new ATOM 0 HG12 VAL A 10 11.302 7.347 1.980 1.00 51.32 H new ATOM 0 HG13 VAL A 10 10.706 6.036 0.933 1.00 51.32 H new ATOM 0 HG21 VAL A 10 11.586 3.748 2.806 1.00 61.24 H new ATOM 0 HG22 VAL A 10 11.873 3.747 1.050 1.00 61.24 H new ATOM 0 HG23 VAL A 10 13.238 3.548 2.175 1.00 61.24 H new ATOM 151 N SER A 11 13.539 8.263 0.101 1.00 21.53 N ATOM 152 CA SER A 11 13.819 9.693 0.155 1.00 64.53 C ATOM 153 C SER A 11 12.706 10.437 0.885 1.00 2.41 C ATOM 154 O SER A 11 11.541 10.046 0.828 1.00 43.23 O ATOM 155 CB SER A 11 13.983 10.255 -1.259 1.00 34.12 C ATOM 156 OG SER A 11 13.392 9.397 -2.220 1.00 43.31 O ATOM 0 H SER A 11 13.143 7.943 -0.783 1.00 21.53 H new ATOM 0 HA SER A 11 14.749 9.836 0.705 1.00 64.53 H new ATOM 0 HB2 SER A 11 13.524 11.242 -1.317 1.00 34.12 H new ATOM 0 HB3 SER A 11 15.042 10.382 -1.483 1.00 34.12 H new ATOM 0 HG SER A 11 13.509 9.779 -3.115 1.00 43.31 H new ATOM 162 N ASN A 12 13.075 11.514 1.572 1.00 31.22 N ATOM 163 CA ASN A 12 12.108 12.314 2.315 1.00 5.32 C ATOM 164 C ASN A 12 11.203 11.426 3.163 1.00 71.35 C ATOM 165 O ASN A 12 9.993 11.360 2.939 1.00 3.41 O ATOM 166 CB ASN A 12 11.264 13.153 1.354 1.00 12.53 C ATOM 167 CG ASN A 12 11.272 14.627 1.713 1.00 32.23 C ATOM 168 OD1 ASN A 12 10.554 15.062 2.614 1.00 72.51 O ATOM 169 ND2 ASN A 12 12.086 15.403 1.008 1.00 4.11 N ATOM 0 H ASN A 12 14.036 11.852 1.629 1.00 31.22 H new ATOM 0 HA ASN A 12 12.659 12.979 2.980 1.00 5.32 H new ATOM 0 HB2 ASN A 12 11.641 13.027 0.339 1.00 12.53 H new ATOM 0 HB3 ASN A 12 10.238 12.786 1.361 1.00 12.53 H new ATOM 0 HD21 ASN A 12 12.134 16.403 1.204 1.00 4.11 H new ATOM 0 HD22 ASN A 12 12.663 14.999 0.270 1.00 4.11 H new ATOM 176 N LEU A 13 11.796 10.743 4.136 1.00 50.41 N ATOM 177 CA LEU A 13 11.043 9.858 5.018 1.00 4.54 C ATOM 178 C LEU A 13 9.952 10.626 5.757 1.00 34.10 C ATOM 179 O LEU A 13 9.736 11.813 5.511 1.00 50.15 O ATOM 180 CB LEU A 13 11.982 9.190 6.024 1.00 22.21 C ATOM 181 CG LEU A 13 11.743 7.701 6.278 1.00 1.14 C ATOM 182 CD1 LEU A 13 11.738 6.930 4.968 1.00 61.23 C ATOM 183 CD2 LEU A 13 12.799 7.145 7.223 1.00 50.04 C ATOM 0 H LEU A 13 12.796 10.785 4.334 1.00 50.41 H new ATOM 0 HA LEU A 13 10.570 9.090 4.405 1.00 4.54 H new ATOM 0 HB2 LEU A 13 13.007 9.319 5.675 1.00 22.21 H new ATOM 0 HB3 LEU A 13 11.900 9.718 6.974 1.00 22.21 H new ATOM 0 HG LEU A 13 10.766 7.584 6.748 1.00 1.14 H new ATOM 0 HD11 LEU A 13 11.567 5.872 5.169 1.00 61.23 H new ATOM 0 HD12 LEU A 13 10.944 7.310 4.325 1.00 61.23 H new ATOM 0 HD13 LEU A 13 12.699 7.053 4.470 1.00 61.23 H new ATOM 0 HD21 LEU A 13 12.613 6.084 7.393 1.00 50.04 H new ATOM 0 HD22 LEU A 13 13.787 7.274 6.781 1.00 50.04 H new ATOM 0 HD23 LEU A 13 12.754 7.678 8.173 1.00 50.04 H new ATOM 195 N THR A 14 9.266 9.941 6.667 1.00 75.34 N ATOM 196 CA THR A 14 8.197 10.557 7.442 1.00 11.44 C ATOM 197 C THR A 14 8.289 10.166 8.913 1.00 50.41 C ATOM 198 O THR A 14 8.573 9.016 9.243 1.00 72.33 O ATOM 199 CB THR A 14 6.810 10.160 6.903 1.00 31.01 C ATOM 200 OG1 THR A 14 6.769 8.752 6.646 1.00 21.24 O ATOM 201 CG2 THR A 14 6.486 10.923 5.627 1.00 24.23 C ATOM 0 H THR A 14 9.432 8.959 6.885 1.00 75.34 H new ATOM 0 HA THR A 14 8.320 11.636 7.347 1.00 11.44 H new ATOM 0 HB THR A 14 6.065 10.413 7.658 1.00 31.01 H new ATOM 0 HG1 THR A 14 5.883 8.507 6.305 1.00 21.24 H new ATOM 0 HG21 THR A 14 5.502 10.626 5.265 1.00 24.23 H new ATOM 0 HG22 THR A 14 6.489 11.993 5.832 1.00 24.23 H new ATOM 0 HG23 THR A 14 7.235 10.697 4.868 1.00 24.23 H new ATOM 209 N GLY A 15 8.046 11.132 9.794 1.00 42.32 N ATOM 210 CA GLY A 15 8.106 10.868 11.220 1.00 43.34 C ATOM 211 C GLY A 15 6.985 11.546 11.982 1.00 23.14 C ATOM 212 O GLY A 15 7.233 12.373 12.859 1.00 24.50 O ATOM 0 H GLY A 15 7.809 12.092 9.546 1.00 42.32 H new ATOM 0 HA2 GLY A 15 8.058 9.792 11.390 1.00 43.34 H new ATOM 0 HA3 GLY A 15 9.065 11.210 11.610 1.00 43.34 H new ATOM 216 N ASN A 16 5.748 11.196 11.647 1.00 13.11 N ATOM 217 CA ASN A 16 4.584 11.778 12.306 1.00 51.43 C ATOM 218 C ASN A 16 4.380 11.169 13.689 1.00 21.43 C ATOM 219 O ASN A 16 4.528 9.961 13.876 1.00 62.32 O ATOM 220 CB ASN A 16 3.331 11.567 11.453 1.00 11.34 C ATOM 221 CG ASN A 16 3.484 12.127 10.052 1.00 33.13 C ATOM 222 OD1 ASN A 16 4.332 11.677 9.281 1.00 15.12 O ATOM 223 ND2 ASN A 16 2.661 13.114 9.717 1.00 61.14 N ATOM 0 H ASN A 16 5.525 10.513 10.923 1.00 13.11 H new ATOM 0 HA ASN A 16 4.761 12.847 12.423 1.00 51.43 H new ATOM 0 HB2 ASN A 16 3.111 10.501 11.393 1.00 11.34 H new ATOM 0 HB3 ASN A 16 2.479 12.042 11.940 1.00 11.34 H new ATOM 0 HD21 ASN A 16 2.716 13.531 8.788 1.00 61.14 H new ATOM 0 HD22 ASN A 16 1.973 13.455 10.389 1.00 61.14 H new ATOM 230 N LYS A 17 4.039 12.012 14.657 1.00 12.52 N ATOM 231 CA LYS A 17 3.812 11.558 16.024 1.00 2.41 C ATOM 232 C LYS A 17 2.857 10.369 16.051 1.00 4.22 C ATOM 233 O LYS A 17 2.930 9.523 16.941 1.00 35.02 O ATOM 234 CB LYS A 17 3.248 12.698 16.875 1.00 1.41 C ATOM 235 CG LYS A 17 2.099 13.440 16.214 1.00 43.11 C ATOM 236 CD LYS A 17 2.468 14.883 15.912 1.00 75.03 C ATOM 237 CE LYS A 17 2.665 15.687 17.188 1.00 63.32 C ATOM 238 NZ LYS A 17 1.375 15.952 17.882 1.00 52.12 N ATOM 0 H LYS A 17 3.914 13.015 14.520 1.00 12.52 H new ATOM 0 HA LYS A 17 4.769 11.242 16.439 1.00 2.41 H new ATOM 0 HB2 LYS A 17 2.908 12.294 17.829 1.00 1.41 H new ATOM 0 HB3 LYS A 17 4.047 13.405 17.095 1.00 1.41 H new ATOM 0 HG2 LYS A 17 1.821 12.933 15.290 1.00 43.11 H new ATOM 0 HG3 LYS A 17 1.226 13.415 16.866 1.00 43.11 H new ATOM 0 HD2 LYS A 17 3.382 14.909 15.319 1.00 75.03 H new ATOM 0 HD3 LYS A 17 1.684 15.342 15.309 1.00 75.03 H new ATOM 0 HE2 LYS A 17 3.333 15.146 17.858 1.00 63.32 H new ATOM 0 HE3 LYS A 17 3.150 16.634 16.949 1.00 63.32 H new ATOM 0 HZ1 LYS A 17 1.534 16.613 18.669 1.00 52.12 H new ATOM 0 HZ2 LYS A 17 0.699 16.369 17.211 1.00 52.12 H new ATOM 0 HZ3 LYS A 17 0.990 15.060 18.252 1.00 52.12 H new ATOM 252 N GLY A 18 1.963 10.311 15.068 1.00 25.05 N ATOM 253 CA GLY A 18 1.008 9.221 14.998 1.00 24.42 C ATOM 254 C GLY A 18 1.255 8.309 13.813 1.00 65.13 C ATOM 255 O GLY A 18 1.536 7.122 13.981 1.00 10.34 O ATOM 0 H GLY A 18 1.884 10.999 14.319 1.00 25.05 H new ATOM 0 HA2 GLY A 18 1.058 8.638 15.918 1.00 24.42 H new ATOM 0 HA3 GLY A 18 -0.001 9.629 14.934 1.00 24.42 H new ATOM 259 N SER A 19 1.150 8.864 12.609 1.00 33.43 N ATOM 260 CA SER A 19 1.358 8.091 11.390 1.00 23.25 C ATOM 261 C SER A 19 2.772 7.518 11.346 1.00 75.42 C ATOM 262 O SER A 19 3.703 8.090 11.911 1.00 15.20 O ATOM 263 CB SER A 19 1.111 8.964 10.159 1.00 11.30 C ATOM 264 OG SER A 19 -0.256 8.945 9.786 1.00 31.32 O ATOM 0 H SER A 19 0.922 9.846 12.452 1.00 33.43 H new ATOM 0 HA SER A 19 0.648 7.264 11.388 1.00 23.25 H new ATOM 0 HB2 SER A 19 1.420 9.988 10.368 1.00 11.30 H new ATOM 0 HB3 SER A 19 1.723 8.609 9.329 1.00 11.30 H new ATOM 0 HG SER A 19 -0.388 9.512 8.998 1.00 31.32 H new ATOM 270 N GLU A 20 2.922 6.383 10.670 1.00 42.15 N ATOM 271 CA GLU A 20 4.221 5.732 10.552 1.00 63.53 C ATOM 272 C GLU A 20 4.306 4.915 9.265 1.00 10.31 C ATOM 273 O GLU A 20 3.352 4.858 8.489 1.00 40.10 O ATOM 274 CB GLU A 20 4.475 4.827 11.760 1.00 52.42 C ATOM 275 CG GLU A 20 3.203 4.293 12.397 1.00 23.14 C ATOM 276 CD GLU A 20 2.342 3.517 11.420 1.00 62.21 C ATOM 277 OE1 GLU A 20 2.841 2.526 10.846 1.00 13.11 O ATOM 278 OE2 GLU A 20 1.169 3.901 11.229 1.00 21.32 O ATOM 0 H GLU A 20 2.161 5.896 10.196 1.00 42.15 H new ATOM 0 HA GLU A 20 4.986 6.508 10.521 1.00 63.53 H new ATOM 0 HB2 GLU A 20 5.097 3.987 11.450 1.00 52.42 H new ATOM 0 HB3 GLU A 20 5.040 5.383 12.508 1.00 52.42 H new ATOM 0 HG2 GLU A 20 3.464 3.648 13.236 1.00 23.14 H new ATOM 0 HG3 GLU A 20 2.627 5.125 12.802 1.00 23.14 H new ATOM 285 N VAL A 21 5.456 4.285 9.046 1.00 54.25 N ATOM 286 CA VAL A 21 5.666 3.472 7.854 1.00 21.51 C ATOM 287 C VAL A 21 6.453 2.208 8.183 1.00 32.15 C ATOM 288 O VAL A 21 7.283 2.200 9.093 1.00 35.41 O ATOM 289 CB VAL A 21 6.414 4.259 6.762 1.00 61.32 C ATOM 290 CG1 VAL A 21 5.496 4.539 5.582 1.00 61.54 C ATOM 291 CG2 VAL A 21 6.976 5.553 7.329 1.00 3.42 C ATOM 0 H VAL A 21 6.256 4.322 9.678 1.00 54.25 H new ATOM 0 HA VAL A 21 4.680 3.196 7.481 1.00 21.51 H new ATOM 0 HB VAL A 21 7.247 3.652 6.407 1.00 61.32 H new ATOM 0 HG11 VAL A 21 6.042 5.096 4.820 1.00 61.54 H new ATOM 0 HG12 VAL A 21 5.146 3.596 5.161 1.00 61.54 H new ATOM 0 HG13 VAL A 21 4.641 5.126 5.917 1.00 61.54 H new ATOM 0 HG21 VAL A 21 7.501 6.096 6.544 1.00 3.42 H new ATOM 0 HG22 VAL A 21 6.161 6.167 7.712 1.00 3.42 H new ATOM 0 HG23 VAL A 21 7.669 5.325 8.138 1.00 3.42 H new ATOM 301 N PHE A 22 6.187 1.141 7.437 1.00 22.23 N ATOM 302 CA PHE A 22 6.870 -0.130 7.650 1.00 42.10 C ATOM 303 C PHE A 22 7.276 -0.758 6.320 1.00 21.51 C ATOM 304 O PHE A 22 6.489 -0.799 5.374 1.00 32.23 O ATOM 305 CB PHE A 22 5.971 -1.092 8.429 1.00 71.45 C ATOM 306 CG PHE A 22 4.549 -1.109 7.944 1.00 3.22 C ATOM 307 CD1 PHE A 22 4.185 -1.878 6.851 1.00 51.45 C ATOM 308 CD2 PHE A 22 3.577 -0.356 8.583 1.00 42.01 C ATOM 309 CE1 PHE A 22 2.878 -1.894 6.402 1.00 14.35 C ATOM 310 CE2 PHE A 22 2.268 -0.368 8.140 1.00 70.54 C ATOM 311 CZ PHE A 22 1.918 -1.139 7.049 1.00 73.35 C ATOM 0 H PHE A 22 5.504 1.131 6.680 1.00 22.23 H new ATOM 0 HA PHE A 22 7.772 0.063 8.231 1.00 42.10 H new ATOM 0 HB2 PHE A 22 6.383 -2.099 8.359 1.00 71.45 H new ATOM 0 HB3 PHE A 22 5.984 -0.815 9.483 1.00 71.45 H new ATOM 0 HD1 PHE A 22 4.931 -2.472 6.344 1.00 51.45 H new ATOM 0 HD2 PHE A 22 3.846 0.247 9.437 1.00 42.01 H new ATOM 0 HE1 PHE A 22 2.607 -2.496 5.547 1.00 14.35 H new ATOM 0 HE2 PHE A 22 1.520 0.224 8.646 1.00 70.54 H new ATOM 0 HZ PHE A 22 0.895 -1.152 6.702 1.00 73.35 H new ATOM 321 N TYR A 23 8.510 -1.247 6.256 1.00 53.33 N ATOM 322 CA TYR A 23 9.022 -1.871 5.042 1.00 44.44 C ATOM 323 C TYR A 23 9.754 -3.170 5.364 1.00 72.10 C ATOM 324 O TYR A 23 10.087 -3.440 6.518 1.00 2.24 O ATOM 325 CB TYR A 23 9.962 -0.912 4.308 1.00 11.01 C ATOM 326 CG TYR A 23 9.472 0.518 4.287 1.00 10.32 C ATOM 327 CD1 TYR A 23 8.274 0.854 3.668 1.00 3.44 C ATOM 328 CD2 TYR A 23 10.207 1.534 4.887 1.00 33.43 C ATOM 329 CE1 TYR A 23 7.824 2.160 3.646 1.00 35.03 C ATOM 330 CE2 TYR A 23 9.763 2.842 4.871 1.00 32.24 C ATOM 331 CZ TYR A 23 8.571 3.150 4.249 1.00 20.02 C ATOM 332 OH TYR A 23 8.125 4.452 4.231 1.00 73.54 O ATOM 0 H TYR A 23 9.174 -1.223 7.030 1.00 53.33 H new ATOM 0 HA TYR A 23 8.174 -2.103 4.398 1.00 44.44 H new ATOM 0 HB2 TYR A 23 10.943 -0.944 4.782 1.00 11.01 H new ATOM 0 HB3 TYR A 23 10.092 -1.258 3.283 1.00 11.01 H new ATOM 0 HD1 TYR A 23 7.685 0.081 3.196 1.00 3.44 H new ATOM 0 HD2 TYR A 23 11.141 1.297 5.374 1.00 33.43 H new ATOM 0 HE1 TYR A 23 6.892 2.404 3.159 1.00 35.03 H new ATOM 0 HE2 TYR A 23 10.346 3.619 5.343 1.00 32.24 H new ATOM 0 HH TYR A 23 8.767 5.024 4.700 1.00 73.54 H new ATOM 342 N THR A 24 10.001 -3.973 4.334 1.00 63.40 N ATOM 343 CA THR A 24 10.693 -5.245 4.505 1.00 35.03 C ATOM 344 C THR A 24 11.527 -5.587 3.276 1.00 21.15 C ATOM 345 O THR A 24 11.113 -5.339 2.144 1.00 63.02 O ATOM 346 CB THR A 24 9.700 -6.392 4.773 1.00 21.24 C ATOM 347 OG1 THR A 24 8.880 -6.076 5.904 1.00 74.04 O ATOM 348 CG2 THR A 24 10.438 -7.698 5.026 1.00 61.33 C ATOM 0 H THR A 24 9.732 -3.765 3.372 1.00 63.40 H new ATOM 0 HA THR A 24 11.351 -5.134 5.367 1.00 35.03 H new ATOM 0 HB THR A 24 9.071 -6.512 3.891 1.00 21.24 H new ATOM 0 HG1 THR A 24 7.937 -6.213 5.673 1.00 74.04 H new ATOM 0 HG21 THR A 24 9.716 -8.493 5.213 1.00 61.33 H new ATOM 0 HG22 THR A 24 11.039 -7.951 4.153 1.00 61.33 H new ATOM 0 HG23 THR A 24 11.088 -7.586 5.894 1.00 61.33 H new ATOM 356 N PHE A 25 12.704 -6.159 3.507 1.00 4.10 N ATOM 357 CA PHE A 25 13.598 -6.535 2.418 1.00 71.13 C ATOM 358 C PHE A 25 14.599 -7.591 2.876 1.00 64.31 C ATOM 359 O PHE A 25 14.797 -7.799 4.074 1.00 41.33 O ATOM 360 CB PHE A 25 14.341 -5.306 1.892 1.00 42.53 C ATOM 361 CG PHE A 25 14.577 -5.336 0.409 1.00 74.44 C ATOM 362 CD1 PHE A 25 13.606 -4.882 -0.470 1.00 3.32 C ATOM 363 CD2 PHE A 25 15.768 -5.820 -0.107 1.00 44.52 C ATOM 364 CE1 PHE A 25 13.820 -4.910 -1.835 1.00 1.21 C ATOM 365 CE2 PHE A 25 15.988 -5.850 -1.472 1.00 1.35 C ATOM 366 CZ PHE A 25 15.013 -5.393 -2.336 1.00 71.24 C ATOM 0 H PHE A 25 13.061 -6.372 4.438 1.00 4.10 H new ATOM 0 HA PHE A 25 12.994 -6.957 1.615 1.00 71.13 H new ATOM 0 HB2 PHE A 25 13.770 -4.412 2.143 1.00 42.53 H new ATOM 0 HB3 PHE A 25 15.301 -5.226 2.403 1.00 42.53 H new ATOM 0 HD1 PHE A 25 12.672 -4.502 -0.084 1.00 3.32 H new ATOM 0 HD2 PHE A 25 16.534 -6.178 0.565 1.00 44.52 H new ATOM 0 HE1 PHE A 25 13.055 -4.554 -2.509 1.00 1.21 H new ATOM 0 HE2 PHE A 25 16.921 -6.230 -1.861 1.00 1.35 H new ATOM 0 HZ PHE A 25 15.183 -5.413 -3.402 1.00 71.24 H new ATOM 376 N THR A 26 15.229 -8.258 1.914 1.00 44.05 N ATOM 377 CA THR A 26 16.209 -9.294 2.216 1.00 11.24 C ATOM 378 C THR A 26 17.487 -9.095 1.410 1.00 52.14 C ATOM 379 O THR A 26 17.540 -8.259 0.508 1.00 52.24 O ATOM 380 CB THR A 26 15.647 -10.699 1.929 1.00 24.11 C ATOM 381 OG1 THR A 26 15.636 -10.943 0.518 1.00 31.12 O ATOM 382 CG2 THR A 26 14.239 -10.843 2.485 1.00 32.23 C ATOM 0 H THR A 26 15.078 -8.099 0.918 1.00 44.05 H new ATOM 0 HA THR A 26 16.438 -9.212 3.279 1.00 11.24 H new ATOM 0 HB THR A 26 16.290 -11.430 2.419 1.00 24.11 H new ATOM 0 HG1 THR A 26 15.279 -11.839 0.344 1.00 31.12 H new ATOM 0 HG21 THR A 26 13.863 -11.843 2.270 1.00 32.23 H new ATOM 0 HG22 THR A 26 14.256 -10.686 3.563 1.00 32.23 H new ATOM 0 HG23 THR A 26 13.587 -10.103 2.021 1.00 32.23 H new ATOM 390 N VAL A 27 18.516 -9.869 1.739 1.00 31.13 N ATOM 391 CA VAL A 27 19.794 -9.779 1.044 1.00 61.14 C ATOM 392 C VAL A 27 20.009 -10.981 0.131 1.00 53.05 C ATOM 393 O VAL A 27 19.260 -11.957 0.185 1.00 12.42 O ATOM 394 CB VAL A 27 20.968 -9.686 2.036 1.00 21.23 C ATOM 395 CG1 VAL A 27 20.875 -8.408 2.856 1.00 71.23 C ATOM 396 CG2 VAL A 27 20.998 -10.909 2.941 1.00 11.42 C ATOM 0 H VAL A 27 18.489 -10.566 2.483 1.00 31.13 H new ATOM 0 HA VAL A 27 19.763 -8.870 0.443 1.00 61.14 H new ATOM 0 HB VAL A 27 21.899 -9.658 1.469 1.00 21.23 H new ATOM 0 HG11 VAL A 27 21.713 -8.360 3.551 1.00 71.23 H new ATOM 0 HG12 VAL A 27 20.906 -7.545 2.190 1.00 71.23 H new ATOM 0 HG13 VAL A 27 19.939 -8.402 3.415 1.00 71.23 H new ATOM 0 HG21 VAL A 27 21.834 -10.827 3.636 1.00 11.42 H new ATOM 0 HG22 VAL A 27 20.065 -10.970 3.501 1.00 11.42 H new ATOM 0 HG23 VAL A 27 21.117 -11.807 2.335 1.00 11.42 H new ATOM 406 N ASP A 28 21.036 -10.904 -0.708 1.00 2.11 N ATOM 407 CA ASP A 28 21.351 -11.986 -1.633 1.00 23.53 C ATOM 408 C ASP A 28 22.621 -12.715 -1.204 1.00 42.12 C ATOM 409 O ASP A 28 22.661 -13.945 -1.168 1.00 51.10 O ATOM 410 CB ASP A 28 21.515 -11.442 -3.052 1.00 44.54 C ATOM 411 CG ASP A 28 20.919 -12.362 -4.099 1.00 32.44 C ATOM 412 OD1 ASP A 28 19.799 -12.869 -3.875 1.00 0.42 O ATOM 413 OD2 ASP A 28 21.571 -12.576 -5.141 1.00 62.25 O ATOM 0 H ASP A 28 21.665 -10.103 -0.766 1.00 2.11 H new ATOM 0 HA ASP A 28 20.524 -12.695 -1.618 1.00 23.53 H new ATOM 0 HB2 ASP A 28 21.039 -10.464 -3.120 1.00 44.54 H new ATOM 0 HB3 ASP A 28 22.575 -11.297 -3.262 1.00 44.54 H new ATOM 418 N ARG A 29 23.657 -11.948 -0.882 1.00 2.54 N ATOM 419 CA ARG A 29 24.929 -12.520 -0.458 1.00 4.11 C ATOM 420 C ARG A 29 25.410 -11.876 0.839 1.00 21.23 C ATOM 421 O ARG A 29 25.041 -10.747 1.157 1.00 13.41 O ATOM 422 CB ARG A 29 25.984 -12.338 -1.551 1.00 71.42 C ATOM 423 CG ARG A 29 27.262 -13.121 -1.300 1.00 63.44 C ATOM 424 CD ARG A 29 26.990 -14.614 -1.194 1.00 14.31 C ATOM 425 NE ARG A 29 28.223 -15.390 -1.104 1.00 21.43 N ATOM 426 CZ ARG A 29 29.053 -15.573 -2.125 1.00 2.33 C ATOM 427 NH1 ARG A 29 28.783 -15.036 -3.307 1.00 21.42 N ATOM 428 NH2 ARG A 29 30.156 -16.292 -1.964 1.00 63.31 N ATOM 0 H ARG A 29 23.640 -10.928 -0.907 1.00 2.54 H new ATOM 0 HA ARG A 29 24.778 -13.585 -0.281 1.00 4.11 H new ATOM 0 HB2 ARG A 29 25.561 -12.646 -2.507 1.00 71.42 H new ATOM 0 HB3 ARG A 29 26.228 -11.279 -1.636 1.00 71.42 H new ATOM 0 HG2 ARG A 29 27.968 -12.935 -2.109 1.00 63.44 H new ATOM 0 HG3 ARG A 29 27.731 -12.769 -0.381 1.00 63.44 H new ATOM 0 HD2 ARG A 29 26.374 -14.809 -0.316 1.00 14.31 H new ATOM 0 HD3 ARG A 29 26.419 -14.941 -2.063 1.00 14.31 H new ATOM 0 HE ARG A 29 28.460 -15.815 -0.208 1.00 21.43 H new ATOM 0 HH11 ARG A 29 27.937 -14.481 -3.434 1.00 21.42 H new ATOM 0 HH12 ARG A 29 29.422 -15.178 -4.089 1.00 21.42 H new ATOM 0 HH21 ARG A 29 30.368 -16.705 -1.056 1.00 63.31 H new ATOM 0 HH22 ARG A 29 30.793 -16.432 -2.749 1.00 63.31 H new ATOM 442 N ASN A 30 26.236 -12.604 1.584 1.00 12.25 N ATOM 443 CA ASN A 30 26.766 -12.104 2.848 1.00 62.32 C ATOM 444 C ASN A 30 27.895 -11.106 2.607 1.00 14.12 C ATOM 445 O ASN A 30 28.945 -11.458 2.072 1.00 61.21 O ATOM 446 CB ASN A 30 27.272 -13.265 3.707 1.00 13.22 C ATOM 447 CG ASN A 30 28.207 -12.804 4.808 1.00 21.24 C ATOM 448 OD1 ASN A 30 29.389 -13.148 4.818 1.00 1.02 O ATOM 449 ND2 ASN A 30 27.680 -12.022 5.743 1.00 21.03 N ATOM 0 H ASN A 30 26.553 -13.541 1.335 1.00 12.25 H new ATOM 0 HA ASN A 30 25.960 -11.594 3.376 1.00 62.32 H new ATOM 0 HB2 ASN A 30 26.422 -13.784 4.150 1.00 13.22 H new ATOM 0 HB3 ASN A 30 27.789 -13.985 3.072 1.00 13.22 H new ATOM 0 HD21 ASN A 30 28.260 -11.681 6.509 1.00 21.03 H new ATOM 0 HD22 ASN A 30 26.695 -11.762 5.695 1.00 21.03 H new ATOM 456 N ALA A 31 27.669 -9.859 3.007 1.00 1.23 N ATOM 457 CA ALA A 31 28.667 -8.810 2.838 1.00 41.01 C ATOM 458 C ALA A 31 28.674 -7.861 4.032 1.00 63.14 C ATOM 459 O ALA A 31 27.633 -7.592 4.631 1.00 13.00 O ATOM 460 CB ALA A 31 28.410 -8.040 1.551 1.00 64.22 C ATOM 0 H ALA A 31 26.804 -9.551 3.450 1.00 1.23 H new ATOM 0 HA ALA A 31 29.648 -9.282 2.777 1.00 41.01 H new ATOM 0 HB1 ALA A 31 29.163 -7.260 1.437 1.00 64.22 H new ATOM 0 HB2 ALA A 31 28.463 -8.722 0.702 1.00 64.22 H new ATOM 0 HB3 ALA A 31 27.420 -7.586 1.590 1.00 64.22 H new ATOM 466 N THR A 32 29.856 -7.356 4.373 1.00 32.34 N ATOM 467 CA THR A 32 29.999 -6.439 5.497 1.00 52.12 C ATOM 468 C THR A 32 30.061 -4.992 5.021 1.00 70.14 C ATOM 469 O THR A 32 31.063 -4.558 4.453 1.00 21.04 O ATOM 470 CB THR A 32 31.263 -6.751 6.320 1.00 72.32 C ATOM 471 OG1 THR A 32 31.480 -5.723 7.293 1.00 65.44 O ATOM 472 CG2 THR A 32 32.481 -6.868 5.417 1.00 64.13 C ATOM 0 H THR A 32 30.728 -7.567 3.887 1.00 32.34 H new ATOM 0 HA THR A 32 29.121 -6.574 6.129 1.00 52.12 H new ATOM 0 HB THR A 32 31.114 -7.704 6.827 1.00 72.32 H new ATOM 0 HG1 THR A 32 32.285 -5.929 7.813 1.00 65.44 H new ATOM 0 HG21 THR A 32 33.361 -7.089 6.020 1.00 64.13 H new ATOM 0 HG22 THR A 32 32.324 -7.671 4.697 1.00 64.13 H new ATOM 0 HG23 THR A 32 32.632 -5.928 4.886 1.00 64.13 H new ATOM 480 N ALA A 33 28.984 -4.250 5.256 1.00 51.13 N ATOM 481 CA ALA A 33 28.918 -2.851 4.853 1.00 12.50 C ATOM 482 C ALA A 33 28.300 -1.992 5.951 1.00 2.25 C ATOM 483 O ALA A 33 27.451 -2.456 6.713 1.00 42.33 O ATOM 484 CB ALA A 33 28.125 -2.710 3.562 1.00 41.20 C ATOM 0 H ALA A 33 28.145 -4.594 5.723 1.00 51.13 H new ATOM 0 HA ALA A 33 29.936 -2.500 4.682 1.00 12.50 H new ATOM 0 HB1 ALA A 33 28.084 -1.660 3.273 1.00 41.20 H new ATOM 0 HB2 ALA A 33 28.610 -3.285 2.773 1.00 41.20 H new ATOM 0 HB3 ALA A 33 27.113 -3.084 3.714 1.00 41.20 H new ATOM 490 N VAL A 34 28.733 -0.737 6.029 1.00 75.11 N ATOM 491 CA VAL A 34 28.222 0.187 7.034 1.00 34.13 C ATOM 492 C VAL A 34 27.275 1.207 6.413 1.00 75.04 C ATOM 493 O VAL A 34 27.695 2.074 5.646 1.00 74.54 O ATOM 494 CB VAL A 34 29.367 0.932 7.745 1.00 51.40 C ATOM 495 CG1 VAL A 34 30.317 1.546 6.728 1.00 61.31 C ATOM 496 CG2 VAL A 34 28.811 1.998 8.677 1.00 34.13 C ATOM 0 H VAL A 34 29.437 -0.337 5.408 1.00 75.11 H new ATOM 0 HA VAL A 34 27.678 -0.411 7.765 1.00 34.13 H new ATOM 0 HB VAL A 34 29.927 0.214 8.344 1.00 51.40 H new ATOM 0 HG11 VAL A 34 31.120 2.068 7.249 1.00 61.31 H new ATOM 0 HG12 VAL A 34 30.741 0.759 6.105 1.00 61.31 H new ATOM 0 HG13 VAL A 34 29.772 2.252 6.101 1.00 61.31 H new ATOM 0 HG21 VAL A 34 29.634 2.514 9.171 1.00 34.13 H new ATOM 0 HG22 VAL A 34 28.226 2.715 8.101 1.00 34.13 H new ATOM 0 HG23 VAL A 34 28.174 1.529 9.427 1.00 34.13 H new ATOM 506 N VAL A 35 25.993 1.098 6.749 1.00 40.42 N ATOM 507 CA VAL A 35 24.985 2.012 6.225 1.00 42.50 C ATOM 508 C VAL A 35 24.171 2.638 7.352 1.00 21.53 C ATOM 509 O VAL A 35 23.829 1.970 8.328 1.00 15.23 O ATOM 510 CB VAL A 35 24.029 1.296 5.252 1.00 3.44 C ATOM 511 CG1 VAL A 35 23.192 2.308 4.484 1.00 23.14 C ATOM 512 CG2 VAL A 35 24.810 0.404 4.299 1.00 51.41 C ATOM 0 H VAL A 35 25.628 0.386 7.382 1.00 40.42 H new ATOM 0 HA VAL A 35 25.518 2.796 5.687 1.00 42.50 H new ATOM 0 HB VAL A 35 23.353 0.667 5.831 1.00 3.44 H new ATOM 0 HG11 VAL A 35 22.523 1.784 3.802 1.00 23.14 H new ATOM 0 HG12 VAL A 35 22.604 2.901 5.185 1.00 23.14 H new ATOM 0 HG13 VAL A 35 23.849 2.966 3.914 1.00 23.14 H new ATOM 0 HG21 VAL A 35 24.119 -0.094 3.619 1.00 51.41 H new ATOM 0 HG22 VAL A 35 25.511 1.010 3.725 1.00 51.41 H new ATOM 0 HG23 VAL A 35 25.360 -0.344 4.870 1.00 51.41 H new ATOM 522 N SER A 36 23.864 3.923 7.211 1.00 41.03 N ATOM 523 CA SER A 36 23.092 4.640 8.219 1.00 5.11 C ATOM 524 C SER A 36 22.082 5.577 7.565 1.00 51.42 C ATOM 525 O SER A 36 22.126 5.810 6.356 1.00 25.43 O ATOM 526 CB SER A 36 24.025 5.436 9.135 1.00 72.15 C ATOM 527 OG SER A 36 25.383 5.143 8.858 1.00 23.53 O ATOM 0 H SER A 36 24.138 4.489 6.408 1.00 41.03 H new ATOM 0 HA SER A 36 22.548 3.907 8.814 1.00 5.11 H new ATOM 0 HB2 SER A 36 23.846 6.503 9.003 1.00 72.15 H new ATOM 0 HB3 SER A 36 23.804 5.202 10.176 1.00 72.15 H new ATOM 0 HG SER A 36 25.959 5.665 9.455 1.00 23.53 H new ATOM 533 N ILE A 37 21.172 6.112 8.372 1.00 40.42 N ATOM 534 CA ILE A 37 20.151 7.025 7.873 1.00 70.15 C ATOM 535 C ILE A 37 20.395 8.447 8.367 1.00 61.31 C ATOM 536 O ILE A 37 21.090 8.659 9.360 1.00 25.43 O ATOM 537 CB ILE A 37 18.740 6.580 8.301 1.00 61.24 C ATOM 538 CG1 ILE A 37 18.509 6.896 9.780 1.00 72.33 C ATOM 539 CG2 ILE A 37 18.550 5.094 8.035 1.00 61.13 C ATOM 540 CD1 ILE A 37 17.422 6.057 10.414 1.00 33.40 C ATOM 0 H ILE A 37 21.121 5.929 9.374 1.00 40.42 H new ATOM 0 HA ILE A 37 20.215 7.005 6.785 1.00 70.15 H new ATOM 0 HB ILE A 37 18.007 7.131 7.712 1.00 61.24 H new ATOM 0 HG12 ILE A 37 19.440 6.743 10.326 1.00 72.33 H new ATOM 0 HG13 ILE A 37 18.250 7.950 9.882 1.00 72.33 H new ATOM 0 HG21 ILE A 37 17.548 4.794 8.343 1.00 61.13 H new ATOM 0 HG22 ILE A 37 18.677 4.896 6.971 1.00 61.13 H new ATOM 0 HG23 ILE A 37 19.288 4.526 8.601 1.00 61.13 H new ATOM 0 HD11 ILE A 37 17.313 6.335 11.462 1.00 33.40 H new ATOM 0 HD12 ILE A 37 16.480 6.228 9.893 1.00 33.40 H new ATOM 0 HD13 ILE A 37 17.689 5.002 10.344 1.00 33.40 H new ATOM 552 N SER A 38 19.817 9.418 7.668 1.00 72.03 N ATOM 553 CA SER A 38 19.973 10.821 8.034 1.00 31.31 C ATOM 554 C SER A 38 19.396 11.732 6.955 1.00 61.44 C ATOM 555 O SER A 38 19.095 11.288 5.847 1.00 25.44 O ATOM 556 CB SER A 38 21.450 11.150 8.259 1.00 31.43 C ATOM 557 OG SER A 38 21.866 12.220 7.430 1.00 42.43 O ATOM 0 H SER A 38 19.236 9.259 6.845 1.00 72.03 H new ATOM 0 HA SER A 38 19.425 10.992 8.960 1.00 31.31 H new ATOM 0 HB2 SER A 38 21.612 11.412 9.305 1.00 31.43 H new ATOM 0 HB3 SER A 38 22.058 10.269 8.053 1.00 31.43 H new ATOM 0 HG SER A 38 22.813 12.412 7.594 1.00 42.43 H new ATOM 563 N GLY A 39 19.245 13.010 7.287 1.00 55.23 N ATOM 564 CA GLY A 39 18.704 13.965 6.336 1.00 23.52 C ATOM 565 C GLY A 39 18.152 15.205 7.010 1.00 33.31 C ATOM 566 O GLY A 39 18.192 16.297 6.445 1.00 31.23 O ATOM 0 H GLY A 39 19.487 13.402 8.197 1.00 55.23 H new ATOM 0 HA2 GLY A 39 19.485 14.255 5.633 1.00 23.52 H new ATOM 0 HA3 GLY A 39 17.914 13.488 5.756 1.00 23.52 H new ATOM 595 N ASP A 43 13.285 12.001 13.917 1.00 32.43 N ATOM 596 CA ASP A 43 11.836 11.843 13.981 1.00 65.34 C ATOM 597 C ASP A 43 11.429 10.417 13.621 1.00 51.55 C ATOM 598 O ASP A 43 10.517 9.851 14.222 1.00 11.54 O ATOM 599 CB ASP A 43 11.152 12.835 13.039 1.00 2.33 C ATOM 600 CG ASP A 43 10.864 14.164 13.709 1.00 3.43 C ATOM 601 OD1 ASP A 43 9.855 14.254 14.439 1.00 51.33 O ATOM 602 OD2 ASP A 43 11.648 15.115 13.504 1.00 50.03 O ATOM 0 HA ASP A 43 11.517 12.046 15.003 1.00 65.34 H new ATOM 0 HB2 ASP A 43 11.786 13.000 12.168 1.00 2.33 H new ATOM 0 HB3 ASP A 43 10.219 12.404 12.677 1.00 2.33 H new ATOM 607 N ALA A 44 12.111 9.844 12.634 1.00 35.24 N ATOM 608 CA ALA A 44 11.820 8.485 12.195 1.00 61.32 C ATOM 609 C ALA A 44 12.657 7.468 12.964 1.00 0.31 C ATOM 610 O ALA A 44 13.886 7.547 12.981 1.00 15.20 O ATOM 611 CB ALA A 44 12.066 8.350 10.699 1.00 33.13 C ATOM 0 H ALA A 44 12.868 10.300 12.124 1.00 35.24 H new ATOM 0 HA ALA A 44 10.769 8.281 12.400 1.00 61.32 H new ATOM 0 HB1 ALA A 44 11.845 7.330 10.384 1.00 33.13 H new ATOM 0 HB2 ALA A 44 11.421 9.044 10.160 1.00 33.13 H new ATOM 0 HB3 ALA A 44 13.109 8.579 10.480 1.00 33.13 H new ATOM 617 N ASP A 45 11.985 6.515 13.600 1.00 55.31 N ATOM 618 CA ASP A 45 12.667 5.483 14.371 1.00 33.41 C ATOM 619 C ASP A 45 13.199 4.384 13.457 1.00 74.54 C ATOM 620 O ASP A 45 12.599 4.075 12.426 1.00 63.14 O ATOM 621 CB ASP A 45 11.719 4.883 15.412 1.00 42.55 C ATOM 622 CG ASP A 45 12.457 4.325 16.613 1.00 54.23 C ATOM 623 OD1 ASP A 45 13.671 4.058 16.492 1.00 32.33 O ATOM 624 OD2 ASP A 45 11.820 4.157 17.673 1.00 30.45 O ATOM 0 H ASP A 45 10.968 6.436 13.597 1.00 55.31 H new ATOM 0 HA ASP A 45 13.511 5.945 14.883 1.00 33.41 H new ATOM 0 HB2 ASP A 45 11.017 5.648 15.744 1.00 42.55 H new ATOM 0 HB3 ASP A 45 11.131 4.090 14.950 1.00 42.55 H new ATOM 629 N LEU A 46 14.327 3.797 13.840 1.00 61.22 N ATOM 630 CA LEU A 46 14.941 2.732 13.054 1.00 41.22 C ATOM 631 C LEU A 46 14.901 1.407 13.807 1.00 34.52 C ATOM 632 O LEU A 46 15.340 1.319 14.954 1.00 20.10 O ATOM 633 CB LEU A 46 16.388 3.093 12.712 1.00 54.34 C ATOM 634 CG LEU A 46 17.205 2.004 12.016 1.00 54.23 C ATOM 635 CD1 LEU A 46 18.215 2.622 11.062 1.00 42.30 C ATOM 636 CD2 LEU A 46 17.905 1.125 13.042 1.00 40.34 C ATOM 0 H LEU A 46 14.835 4.040 14.690 1.00 61.22 H new ATOM 0 HA LEU A 46 14.372 2.622 12.131 1.00 41.22 H new ATOM 0 HB2 LEU A 46 16.380 3.977 12.074 1.00 54.34 H new ATOM 0 HB3 LEU A 46 16.900 3.370 13.634 1.00 54.34 H new ATOM 0 HG LEU A 46 16.524 1.380 11.437 1.00 54.23 H new ATOM 0 HD11 LEU A 46 18.787 1.832 10.576 1.00 42.30 H new ATOM 0 HD12 LEU A 46 17.691 3.208 10.307 1.00 42.30 H new ATOM 0 HD13 LEU A 46 18.892 3.270 11.619 1.00 42.30 H new ATOM 0 HD21 LEU A 46 18.482 0.355 12.529 1.00 40.34 H new ATOM 0 HD22 LEU A 46 18.574 1.736 13.649 1.00 40.34 H new ATOM 0 HD23 LEU A 46 17.162 0.653 13.685 1.00 40.34 H new ATOM 648 N TYR A 47 14.373 0.377 13.155 1.00 55.25 N ATOM 649 CA TYR A 47 14.275 -0.944 13.763 1.00 75.44 C ATOM 650 C TYR A 47 14.631 -2.035 12.757 1.00 54.33 C ATOM 651 O TYR A 47 14.395 -1.890 11.556 1.00 13.04 O ATOM 652 CB TYR A 47 12.863 -1.176 14.304 1.00 20.25 C ATOM 653 CG TYR A 47 12.546 -0.359 15.537 1.00 73.34 C ATOM 654 CD1 TYR A 47 13.204 -0.593 16.738 1.00 41.54 C ATOM 655 CD2 TYR A 47 11.588 0.647 15.499 1.00 32.43 C ATOM 656 CE1 TYR A 47 12.917 0.151 17.866 1.00 73.12 C ATOM 657 CE2 TYR A 47 11.295 1.396 16.622 1.00 10.13 C ATOM 658 CZ TYR A 47 11.962 1.144 17.803 1.00 13.12 C ATOM 659 OH TYR A 47 11.674 1.888 18.925 1.00 75.24 O ATOM 0 H TYR A 47 14.006 0.432 12.205 1.00 55.25 H new ATOM 0 HA TYR A 47 14.986 -0.989 14.588 1.00 75.44 H new ATOM 0 HB2 TYR A 47 12.140 -0.937 13.524 1.00 20.25 H new ATOM 0 HB3 TYR A 47 12.742 -2.234 14.538 1.00 20.25 H new ATOM 0 HD1 TYR A 47 13.953 -1.370 16.791 1.00 41.54 H new ATOM 0 HD2 TYR A 47 11.064 0.847 14.576 1.00 32.43 H new ATOM 0 HE1 TYR A 47 13.438 -0.044 18.792 1.00 73.12 H new ATOM 0 HE2 TYR A 47 10.548 2.175 16.576 1.00 10.13 H new ATOM 0 HH TYR A 47 11.344 2.771 18.656 1.00 75.24 H new ATOM 669 N LEU A 48 15.200 -3.127 13.255 1.00 54.12 N ATOM 670 CA LEU A 48 15.589 -4.244 12.401 1.00 34.22 C ATOM 671 C LEU A 48 15.608 -5.550 13.189 1.00 74.31 C ATOM 672 O LEU A 48 16.158 -5.617 14.288 1.00 32.23 O ATOM 673 CB LEU A 48 16.965 -3.986 11.786 1.00 61.31 C ATOM 674 CG LEU A 48 17.157 -4.466 10.347 1.00 45.23 C ATOM 675 CD1 LEU A 48 18.604 -4.286 9.913 1.00 20.41 C ATOM 676 CD2 LEU A 48 16.734 -5.921 10.208 1.00 12.22 C ATOM 0 H LEU A 48 15.402 -3.263 14.245 1.00 54.12 H new ATOM 0 HA LEU A 48 14.852 -4.333 11.603 1.00 34.22 H new ATOM 0 HB2 LEU A 48 17.161 -2.914 11.820 1.00 61.31 H new ATOM 0 HB3 LEU A 48 17.717 -4.467 12.412 1.00 61.31 H new ATOM 0 HG LEU A 48 16.525 -3.862 9.696 1.00 45.23 H new ATOM 0 HD11 LEU A 48 18.722 -4.633 8.886 1.00 20.41 H new ATOM 0 HD12 LEU A 48 18.873 -3.231 9.973 1.00 20.41 H new ATOM 0 HD13 LEU A 48 19.255 -4.864 10.568 1.00 20.41 H new ATOM 0 HD21 LEU A 48 16.878 -6.245 9.177 1.00 12.22 H new ATOM 0 HD22 LEU A 48 17.338 -6.540 10.871 1.00 12.22 H new ATOM 0 HD23 LEU A 48 15.682 -6.021 10.476 1.00 12.22 H new ATOM 688 N LYS A 49 15.005 -6.588 12.618 1.00 12.14 N ATOM 689 CA LYS A 49 14.955 -7.894 13.264 1.00 33.23 C ATOM 690 C LYS A 49 15.048 -9.015 12.233 1.00 13.35 C ATOM 691 O LYS A 49 14.333 -9.010 11.231 1.00 4.44 O ATOM 692 CB LYS A 49 13.663 -8.037 14.073 1.00 5.22 C ATOM 693 CG LYS A 49 13.859 -7.851 15.568 1.00 14.10 C ATOM 694 CD LYS A 49 13.071 -8.877 16.365 1.00 23.41 C ATOM 695 CE LYS A 49 11.602 -8.880 15.973 1.00 72.13 C ATOM 696 NZ LYS A 49 11.122 -10.247 15.629 1.00 60.25 N ATOM 0 H LYS A 49 14.544 -6.550 11.709 1.00 12.14 H new ATOM 0 HA LYS A 49 15.809 -7.971 13.937 1.00 33.23 H new ATOM 0 HB2 LYS A 49 12.938 -7.306 13.716 1.00 5.22 H new ATOM 0 HB3 LYS A 49 13.237 -9.024 13.891 1.00 5.22 H new ATOM 0 HG2 LYS A 49 14.918 -7.936 15.810 1.00 14.10 H new ATOM 0 HG3 LYS A 49 13.546 -6.847 15.855 1.00 14.10 H new ATOM 0 HD2 LYS A 49 13.494 -9.868 16.202 1.00 23.41 H new ATOM 0 HD3 LYS A 49 13.164 -8.662 17.429 1.00 23.41 H new ATOM 0 HE2 LYS A 49 11.006 -8.482 16.794 1.00 72.13 H new ATOM 0 HE3 LYS A 49 11.452 -8.217 15.121 1.00 72.13 H new ATOM 0 HZ1 LYS A 49 10.228 -10.179 15.101 1.00 60.25 H new ATOM 0 HZ2 LYS A 49 11.834 -10.728 15.043 1.00 60.25 H new ATOM 0 HZ3 LYS A 49 10.968 -10.791 16.502 1.00 60.25 H new ATOM 710 N ALA A 50 15.931 -9.974 12.487 1.00 23.45 N ATOM 711 CA ALA A 50 16.114 -11.103 11.583 1.00 4.13 C ATOM 712 C ALA A 50 14.863 -11.973 11.530 1.00 1.25 C ATOM 713 O ALA A 50 14.193 -12.051 10.502 1.00 72.51 O ATOM 714 CB ALA A 50 17.318 -11.931 12.010 1.00 54.14 C ATOM 0 H ALA A 50 16.531 -9.992 13.311 1.00 23.45 H new ATOM 0 HA ALA A 50 16.293 -10.710 10.582 1.00 4.13 H new ATOM 0 HB1 ALA A 50 17.443 -12.771 11.326 1.00 54.14 H new ATOM 0 HB2 ALA A 50 18.213 -11.309 11.989 1.00 54.14 H new ATOM 0 HB3 ALA A 50 17.161 -12.307 13.021 1.00 54.14 H new ATOM 720 N GLY A 51 14.554 -12.626 12.647 1.00 41.31 N ATOM 721 CA GLY A 51 13.384 -13.482 12.706 1.00 61.34 C ATOM 722 C GLY A 51 12.159 -12.833 12.092 1.00 22.43 C ATOM 723 O GLY A 51 11.912 -12.967 10.894 1.00 50.02 O ATOM 0 H GLY A 51 15.093 -12.577 13.511 1.00 41.31 H new ATOM 0 HA2 GLY A 51 13.595 -14.417 12.187 1.00 61.34 H new ATOM 0 HA3 GLY A 51 13.175 -13.735 13.745 1.00 61.34 H new ATOM 727 N SER A 52 11.389 -12.130 12.916 1.00 0.20 N ATOM 728 CA SER A 52 10.180 -11.462 12.449 1.00 73.23 C ATOM 729 C SER A 52 10.349 -9.946 12.481 1.00 61.33 C ATOM 730 O SER A 52 11.455 -9.437 12.661 1.00 3.31 O ATOM 731 CB SER A 52 8.982 -11.871 13.308 1.00 74.23 C ATOM 732 OG SER A 52 9.269 -13.036 14.062 1.00 12.11 O ATOM 0 H SER A 52 11.581 -12.008 13.910 1.00 0.20 H new ATOM 0 HA SER A 52 10.001 -11.768 11.418 1.00 73.23 H new ATOM 0 HB2 SER A 52 8.717 -11.055 13.980 1.00 74.23 H new ATOM 0 HB3 SER A 52 8.117 -12.051 12.669 1.00 74.23 H new ATOM 0 HG SER A 52 8.488 -13.276 14.604 1.00 12.11 H new ATOM 738 N LYS A 53 9.244 -9.230 12.304 1.00 30.11 N ATOM 739 CA LYS A 53 9.267 -7.772 12.313 1.00 32.24 C ATOM 740 C LYS A 53 9.539 -7.241 13.717 1.00 22.42 C ATOM 741 O LYS A 53 8.935 -7.674 14.699 1.00 60.33 O ATOM 742 CB LYS A 53 7.938 -7.218 11.796 1.00 53.50 C ATOM 743 CG LYS A 53 6.870 -7.095 12.870 1.00 63.34 C ATOM 744 CD LYS A 53 6.907 -5.732 13.540 1.00 61.21 C ATOM 745 CE LYS A 53 6.016 -4.732 12.818 1.00 25.25 C ATOM 746 NZ LYS A 53 6.430 -4.544 11.400 1.00 13.33 N ATOM 0 H LYS A 53 8.321 -9.636 12.152 1.00 30.11 H new ATOM 0 HA LYS A 53 10.072 -7.442 11.656 1.00 32.24 H new ATOM 0 HB2 LYS A 53 8.111 -6.237 11.353 1.00 53.50 H new ATOM 0 HB3 LYS A 53 7.569 -7.866 11.001 1.00 53.50 H new ATOM 0 HG2 LYS A 53 5.887 -7.257 12.427 1.00 63.34 H new ATOM 0 HG3 LYS A 53 7.015 -7.874 13.619 1.00 63.34 H new ATOM 0 HD2 LYS A 53 6.584 -5.826 14.577 1.00 61.21 H new ATOM 0 HD3 LYS A 53 7.932 -5.362 13.557 1.00 61.21 H new ATOM 0 HE2 LYS A 53 4.982 -5.076 12.852 1.00 25.25 H new ATOM 0 HE3 LYS A 53 6.051 -3.774 13.337 1.00 25.25 H new ATOM 0 HZ1 LYS A 53 5.914 -3.739 10.991 1.00 13.33 H new ATOM 0 HZ2 LYS A 53 7.452 -4.357 11.359 1.00 13.33 H new ATOM 0 HZ3 LYS A 53 6.214 -5.405 10.858 1.00 13.33 H new ATOM 760 N PRO A 54 10.469 -6.280 13.817 1.00 23.12 N ATOM 761 CA PRO A 54 10.841 -5.668 15.096 1.00 30.14 C ATOM 762 C PRO A 54 9.731 -4.789 15.663 1.00 60.32 C ATOM 763 O PRO A 54 9.054 -4.073 14.925 1.00 54.03 O ATOM 764 CB PRO A 54 12.065 -4.821 14.742 1.00 45.23 C ATOM 765 CG PRO A 54 11.909 -4.518 13.291 1.00 3.14 C ATOM 766 CD PRO A 54 11.229 -5.716 12.689 1.00 23.10 C ATOM 0 HA PRO A 54 11.032 -6.416 15.865 1.00 30.14 H new ATOM 0 HB2 PRO A 54 12.100 -3.908 15.336 1.00 45.23 H new ATOM 0 HB3 PRO A 54 12.991 -5.363 14.936 1.00 45.23 H new ATOM 0 HG2 PRO A 54 11.315 -3.616 13.142 1.00 3.14 H new ATOM 0 HG3 PRO A 54 12.877 -4.343 12.823 1.00 3.14 H new ATOM 0 HD2 PRO A 54 10.574 -5.434 11.864 1.00 23.10 H new ATOM 0 HD3 PRO A 54 11.950 -6.431 12.293 1.00 23.10 H new ATOM 774 N THR A 55 9.549 -4.848 16.978 1.00 2.15 N ATOM 775 CA THR A 55 8.521 -4.058 17.644 1.00 51.01 C ATOM 776 C THR A 55 9.113 -2.800 18.269 1.00 54.33 C ATOM 777 O THR A 55 10.320 -2.567 18.197 1.00 13.44 O ATOM 778 CB THR A 55 7.806 -4.873 18.738 1.00 62.41 C ATOM 779 OG1 THR A 55 8.402 -4.610 20.013 1.00 22.41 O ATOM 780 CG2 THR A 55 7.878 -6.363 18.436 1.00 12.25 C ATOM 0 H THR A 55 10.101 -5.435 17.604 1.00 2.15 H new ATOM 0 HA THR A 55 7.796 -3.775 16.880 1.00 51.01 H new ATOM 0 HB THR A 55 6.758 -4.572 18.759 1.00 62.41 H new ATOM 0 HG1 THR A 55 7.707 -4.342 20.650 1.00 22.41 H new ATOM 0 HG21 THR A 55 7.367 -6.919 19.222 1.00 12.25 H new ATOM 0 HG22 THR A 55 7.398 -6.564 17.478 1.00 12.25 H new ATOM 0 HG23 THR A 55 8.921 -6.675 18.391 1.00 12.25 H new ATOM 788 N THR A 56 8.255 -1.990 18.883 1.00 43.14 N ATOM 789 CA THR A 56 8.693 -0.755 19.520 1.00 42.40 C ATOM 790 C THR A 56 9.586 -1.042 20.722 1.00 71.53 C ATOM 791 O THR A 56 10.247 -0.146 21.245 1.00 42.43 O ATOM 792 CB THR A 56 7.494 0.097 19.978 1.00 42.02 C ATOM 793 OG1 THR A 56 6.453 -0.751 20.475 1.00 14.41 O ATOM 794 CG2 THR A 56 6.962 0.943 18.831 1.00 1.20 C ATOM 0 H THR A 56 7.253 -2.168 18.952 1.00 43.14 H new ATOM 0 HA THR A 56 9.261 -0.199 18.774 1.00 42.40 H new ATOM 0 HB THR A 56 7.831 0.762 20.773 1.00 42.02 H new ATOM 0 HG1 THR A 56 5.695 -0.202 20.766 1.00 14.41 H new ATOM 0 HG21 THR A 56 6.116 1.536 19.178 1.00 1.20 H new ATOM 0 HG22 THR A 56 7.749 1.608 18.474 1.00 1.20 H new ATOM 0 HG23 THR A 56 6.640 0.292 18.018 1.00 1.20 H new ATOM 802 N SER A 57 9.601 -2.299 21.155 1.00 74.14 N ATOM 803 CA SER A 57 10.411 -2.704 22.297 1.00 35.45 C ATOM 804 C SER A 57 11.352 -3.844 21.919 1.00 1.33 C ATOM 805 O SER A 57 12.407 -4.020 22.528 1.00 4.42 O ATOM 806 CB SER A 57 9.512 -3.134 23.459 1.00 24.11 C ATOM 807 OG SER A 57 10.276 -3.399 24.623 1.00 30.21 O ATOM 0 H SER A 57 9.061 -3.054 20.732 1.00 74.14 H new ATOM 0 HA SER A 57 11.011 -1.849 22.607 1.00 35.45 H new ATOM 0 HB2 SER A 57 8.784 -2.351 23.669 1.00 24.11 H new ATOM 0 HB3 SER A 57 8.950 -4.025 23.178 1.00 24.11 H new ATOM 0 HG SER A 57 9.679 -3.670 25.351 1.00 30.21 H new ATOM 813 N SER A 58 10.962 -4.615 20.910 1.00 71.23 N ATOM 814 CA SER A 58 11.768 -5.740 20.452 1.00 61.54 C ATOM 815 C SER A 58 12.517 -5.386 19.170 1.00 34.41 C ATOM 816 O SER A 58 11.912 -4.985 18.176 1.00 12.31 O ATOM 817 CB SER A 58 10.884 -6.967 20.217 1.00 52.31 C ATOM 818 OG SER A 58 11.307 -8.060 21.013 1.00 74.21 O ATOM 0 H SER A 58 10.093 -4.481 20.394 1.00 71.23 H new ATOM 0 HA SER A 58 12.498 -5.971 21.227 1.00 61.54 H new ATOM 0 HB2 SER A 58 9.848 -6.723 20.450 1.00 52.31 H new ATOM 0 HB3 SER A 58 10.916 -7.246 19.164 1.00 52.31 H new ATOM 0 HG SER A 58 10.725 -8.831 20.846 1.00 74.21 H new ATOM 824 N TRP A 59 13.835 -5.539 19.202 1.00 5.40 N ATOM 825 CA TRP A 59 14.668 -5.235 18.043 1.00 31.14 C ATOM 826 C TRP A 59 15.955 -6.052 18.069 1.00 40.01 C ATOM 827 O TRP A 59 16.423 -6.456 19.133 1.00 24.52 O ATOM 828 CB TRP A 59 14.998 -3.742 18.004 1.00 54.03 C ATOM 829 CG TRP A 59 14.920 -3.081 19.346 1.00 14.53 C ATOM 830 CD1 TRP A 59 13.806 -2.557 19.939 1.00 71.42 C ATOM 831 CD2 TRP A 59 16.000 -2.870 20.262 1.00 70.00 C ATOM 832 NE1 TRP A 59 14.129 -2.034 21.168 1.00 71.33 N ATOM 833 CE2 TRP A 59 15.468 -2.214 21.390 1.00 65.33 C ATOM 834 CE3 TRP A 59 17.364 -3.173 20.240 1.00 31.41 C ATOM 835 CZ2 TRP A 59 16.255 -1.857 22.482 1.00 74.11 C ATOM 836 CZ3 TRP A 59 18.143 -2.818 21.325 1.00 52.13 C ATOM 837 CH2 TRP A 59 17.587 -2.166 22.434 1.00 72.25 C ATOM 0 H TRP A 59 14.351 -5.871 20.017 1.00 5.40 H new ATOM 0 HA TRP A 59 14.109 -5.500 17.145 1.00 31.14 H new ATOM 0 HB2 TRP A 59 16.002 -3.610 17.600 1.00 54.03 H new ATOM 0 HB3 TRP A 59 14.311 -3.243 17.321 1.00 54.03 H new ATOM 0 HD1 TRP A 59 12.817 -2.554 19.505 1.00 71.42 H new ATOM 0 HE1 TRP A 59 13.477 -1.585 21.811 1.00 71.33 H new ATOM 0 HE3 TRP A 59 17.802 -3.676 19.390 1.00 31.41 H new ATOM 0 HZ2 TRP A 59 15.829 -1.354 23.337 1.00 74.11 H new ATOM 0 HZ3 TRP A 59 19.198 -3.047 21.318 1.00 52.13 H new ATOM 0 HH2 TRP A 59 18.222 -1.902 23.267 1.00 72.25 H new ATOM 848 N ASP A 60 16.522 -6.291 16.892 1.00 42.03 N ATOM 849 CA ASP A 60 17.757 -7.059 16.780 1.00 72.14 C ATOM 850 C ASP A 60 18.953 -6.137 16.562 1.00 34.14 C ATOM 851 O ASP A 60 20.065 -6.434 16.999 1.00 64.34 O ATOM 852 CB ASP A 60 17.656 -8.063 15.630 1.00 15.11 C ATOM 853 CG ASP A 60 18.851 -8.993 15.566 1.00 4.43 C ATOM 854 OD1 ASP A 60 19.265 -9.501 16.629 1.00 15.13 O ATOM 855 OD2 ASP A 60 19.375 -9.211 14.453 1.00 33.24 O ATOM 0 H ASP A 60 16.146 -5.964 16.002 1.00 42.03 H new ATOM 0 HA ASP A 60 17.904 -7.601 17.714 1.00 72.14 H new ATOM 0 HB2 ASP A 60 16.746 -8.653 15.745 1.00 15.11 H new ATOM 0 HB3 ASP A 60 17.569 -7.523 14.687 1.00 15.11 H new ATOM 860 N CYS A 61 18.716 -5.019 15.886 1.00 74.05 N ATOM 861 CA CYS A 61 19.774 -4.054 15.609 1.00 72.05 C ATOM 862 C CYS A 61 19.260 -2.626 15.759 1.00 41.23 C ATOM 863 O CYS A 61 18.299 -2.229 15.100 1.00 42.45 O ATOM 864 CB CYS A 61 20.328 -4.264 14.199 1.00 73.04 C ATOM 865 SG CYS A 61 20.965 -5.929 13.896 1.00 10.12 S ATOM 0 H CYS A 61 17.801 -4.758 15.519 1.00 74.05 H new ATOM 0 HA CYS A 61 20.574 -4.211 16.333 1.00 72.05 H new ATOM 0 HB2 CYS A 61 19.541 -4.051 13.476 1.00 73.04 H new ATOM 0 HB3 CYS A 61 21.127 -3.543 14.023 1.00 73.04 H new ATOM 0 HG CYS A 61 21.409 -6.008 12.677 1.00 10.12 H new ATOM 871 N ARG A 62 19.906 -1.859 16.631 1.00 32.03 N ATOM 872 CA ARG A 62 19.512 -0.476 16.870 1.00 4.34 C ATOM 873 C ARG A 62 20.474 0.203 17.842 1.00 34.31 C ATOM 874 O ARG A 62 20.843 -0.352 18.877 1.00 23.21 O ATOM 875 CB ARG A 62 18.087 -0.417 17.422 1.00 53.41 C ATOM 876 CG ARG A 62 17.438 0.952 17.289 1.00 64.32 C ATOM 877 CD ARG A 62 16.141 1.033 18.078 1.00 24.25 C ATOM 878 NE ARG A 62 16.368 0.920 19.517 1.00 62.12 N ATOM 879 CZ ARG A 62 15.507 1.350 20.433 1.00 65.15 C ATOM 880 NH1 ARG A 62 14.368 1.918 20.061 1.00 4.15 N ATOM 881 NH2 ARG A 62 15.785 1.212 21.723 1.00 61.43 N ATOM 0 H ARG A 62 20.704 -2.172 17.184 1.00 32.03 H new ATOM 0 HA ARG A 62 19.548 0.055 15.919 1.00 4.34 H new ATOM 0 HB2 ARG A 62 17.474 -1.152 16.901 1.00 53.41 H new ATOM 0 HB3 ARG A 62 18.102 -0.702 18.474 1.00 53.41 H new ATOM 0 HG2 ARG A 62 18.128 1.719 17.642 1.00 64.32 H new ATOM 0 HG3 ARG A 62 17.239 1.161 16.238 1.00 64.32 H new ATOM 0 HD2 ARG A 62 15.644 1.979 17.863 1.00 24.25 H new ATOM 0 HD3 ARG A 62 15.469 0.239 17.753 1.00 24.25 H new ATOM 0 HE ARG A 62 17.235 0.487 19.836 1.00 62.12 H new ATOM 0 HH11 ARG A 62 14.151 2.025 19.070 1.00 4.15 H new ATOM 0 HH12 ARG A 62 13.708 2.247 20.766 1.00 4.15 H new ATOM 0 HH21 ARG A 62 16.660 0.776 22.012 1.00 61.43 H new ATOM 0 HH22 ARG A 62 15.123 1.542 22.425 1.00 61.43 H new ATOM 895 N PRO A 63 20.889 1.432 17.502 1.00 23.14 N ATOM 896 CA PRO A 63 21.813 2.212 18.331 1.00 13.42 C ATOM 897 C PRO A 63 21.169 2.683 19.631 1.00 72.11 C ATOM 898 O PRO A 63 21.846 3.205 20.517 1.00 32.20 O ATOM 899 CB PRO A 63 22.161 3.410 17.443 1.00 30.51 C ATOM 900 CG PRO A 63 20.998 3.549 16.522 1.00 1.24 C ATOM 901 CD PRO A 63 20.489 2.155 16.283 1.00 24.43 C ATOM 0 HA PRO A 63 22.679 1.625 18.638 1.00 13.42 H new ATOM 0 HB2 PRO A 63 22.307 4.313 18.036 1.00 30.51 H new ATOM 0 HB3 PRO A 63 23.085 3.238 16.891 1.00 30.51 H new ATOM 0 HG2 PRO A 63 20.224 4.177 16.963 1.00 1.24 H new ATOM 0 HG3 PRO A 63 21.296 4.021 15.586 1.00 1.24 H new ATOM 0 HD2 PRO A 63 19.408 2.140 16.144 1.00 24.43 H new ATOM 0 HD3 PRO A 63 20.932 1.713 15.390 1.00 24.43 H new ATOM 982 N ASN A 68 15.514 9.582 13.582 1.00 1.14 N ATOM 983 CA ASN A 68 16.451 9.482 12.469 1.00 53.51 C ATOM 984 C ASN A 68 17.885 9.696 12.944 1.00 71.33 C ATOM 985 O ASN A 68 18.126 9.974 14.118 1.00 71.34 O ATOM 986 CB ASN A 68 16.102 10.508 11.388 1.00 34.14 C ATOM 987 CG ASN A 68 14.973 10.040 10.490 1.00 62.41 C ATOM 988 OD1 ASN A 68 13.870 10.779 10.491 1.00 43.02 O flip ATOM 989 ND2 ASN A 68 15.092 9.025 9.803 1.00 3.23 N flip ATOM 0 HA ASN A 68 16.372 8.479 12.049 1.00 53.51 H new ATOM 0 HB2 ASN A 68 15.820 11.449 11.861 1.00 34.14 H new ATOM 0 HB3 ASN A 68 16.986 10.708 10.782 1.00 34.14 H new ATOM 0 HD21 ASN A 68 15.958 8.487 9.833 1.00 3.23 H new ATOM 0 HD22 ASN A 68 14.324 8.722 9.203 1.00 3.23 H new ATOM 996 N ASN A 69 18.833 9.564 12.022 1.00 23.20 N ATOM 997 CA ASN A 69 20.244 9.742 12.346 1.00 1.00 C ATOM 998 C ASN A 69 20.698 8.719 13.383 1.00 74.21 C ATOM 999 O ASN A 69 21.622 8.971 14.155 1.00 53.50 O ATOM 1000 CB ASN A 69 20.494 11.158 12.868 1.00 50.53 C ATOM 1001 CG ASN A 69 21.921 11.616 12.637 1.00 41.44 C ATOM 1002 OD1 ASN A 69 22.143 12.328 11.538 1.00 72.31 O flip ATOM 1003 ND2 ASN A 69 22.813 11.334 13.437 1.00 63.14 N flip ATOM 0 H ASN A 69 18.650 9.335 11.045 1.00 23.20 H new ATOM 0 HA ASN A 69 20.822 9.590 11.434 1.00 1.00 H new ATOM 0 HB2 ASN A 69 19.809 11.849 12.377 1.00 50.53 H new ATOM 0 HB3 ASN A 69 20.272 11.194 13.935 1.00 50.53 H new ATOM 0 HD21 ASN A 69 22.597 10.784 14.269 1.00 63.14 H new ATOM 0 HD22 ASN A 69 23.768 11.650 13.268 1.00 63.14 H new ATOM 1010 N GLU A 70 20.040 7.563 13.393 1.00 44.22 N ATOM 1011 CA GLU A 70 20.376 6.502 14.335 1.00 45.21 C ATOM 1012 C GLU A 70 20.200 5.129 13.693 1.00 22.13 C ATOM 1013 O GLU A 70 19.124 4.535 13.758 1.00 11.22 O ATOM 1014 CB GLU A 70 19.505 6.608 15.588 1.00 33.50 C ATOM 1015 CG GLU A 70 20.301 6.761 16.873 1.00 65.53 C ATOM 1016 CD GLU A 70 20.593 8.210 17.209 1.00 0.02 C ATOM 1017 OE1 GLU A 70 20.126 9.098 16.466 1.00 63.25 O ATOM 1018 OE2 GLU A 70 21.288 8.456 18.217 1.00 2.12 O ATOM 0 H GLU A 70 19.272 7.338 12.760 1.00 44.22 H new ATOM 0 HA GLU A 70 21.422 6.620 14.618 1.00 45.21 H new ATOM 0 HB2 GLU A 70 18.834 7.461 15.483 1.00 33.50 H new ATOM 0 HB3 GLU A 70 18.880 5.718 15.662 1.00 33.50 H new ATOM 0 HG2 GLU A 70 19.748 6.306 17.695 1.00 65.53 H new ATOM 0 HG3 GLU A 70 21.241 6.217 16.781 1.00 65.53 H new ATOM 1025 N SER A 71 21.265 4.631 13.073 1.00 23.35 N ATOM 1026 CA SER A 71 21.228 3.330 12.416 1.00 60.31 C ATOM 1027 C SER A 71 22.395 2.458 12.870 1.00 42.24 C ATOM 1028 O SER A 71 23.289 2.919 13.580 1.00 2.50 O ATOM 1029 CB SER A 71 21.266 3.502 10.896 1.00 34.42 C ATOM 1030 OG SER A 71 20.484 4.611 10.489 1.00 50.21 O ATOM 0 H SER A 71 22.164 5.109 13.012 1.00 23.35 H new ATOM 0 HA SER A 71 20.298 2.835 12.696 1.00 60.31 H new ATOM 0 HB2 SER A 71 22.296 3.640 10.568 1.00 34.42 H new ATOM 0 HB3 SER A 71 20.897 2.596 10.415 1.00 34.42 H new ATOM 0 HG SER A 71 20.869 5.435 10.855 1.00 50.21 H new ATOM 1036 N CYS A 72 22.379 1.197 12.454 1.00 24.41 N ATOM 1037 CA CYS A 72 23.436 0.259 12.818 1.00 74.42 C ATOM 1038 C CYS A 72 24.167 -0.245 11.577 1.00 14.43 C ATOM 1039 O CYS A 72 23.663 -0.132 10.460 1.00 62.54 O ATOM 1040 CB CYS A 72 22.852 -0.922 13.595 1.00 61.41 C ATOM 1041 SG CYS A 72 23.907 -1.515 14.938 1.00 30.34 S ATOM 0 H CYS A 72 21.647 0.800 11.865 1.00 24.41 H new ATOM 0 HA CYS A 72 24.152 0.784 13.451 1.00 74.42 H new ATOM 0 HB2 CYS A 72 21.886 -0.630 14.008 1.00 61.41 H new ATOM 0 HB3 CYS A 72 22.667 -1.743 12.902 1.00 61.41 H new ATOM 0 HG CYS A 72 23.327 -2.513 15.537 1.00 30.34 H new ATOM 1047 N SER A 73 25.358 -0.798 11.782 1.00 14.14 N ATOM 1048 CA SER A 73 26.161 -1.313 10.680 1.00 20.41 C ATOM 1049 C SER A 73 26.610 -2.745 10.958 1.00 55.02 C ATOM 1050 O SER A 73 27.456 -2.987 11.818 1.00 12.15 O ATOM 1051 CB SER A 73 27.382 -0.420 10.449 1.00 34.24 C ATOM 1052 OG SER A 73 28.106 -0.227 11.652 1.00 43.43 O ATOM 0 H SER A 73 25.788 -0.901 12.701 1.00 14.14 H new ATOM 0 HA SER A 73 25.544 -1.311 9.782 1.00 20.41 H new ATOM 0 HB2 SER A 73 28.031 -0.872 9.699 1.00 34.24 H new ATOM 0 HB3 SER A 73 27.062 0.544 10.054 1.00 34.24 H new ATOM 0 HG SER A 73 28.152 -1.073 12.145 1.00 43.43 H new ATOM 1058 N VAL A 74 26.035 -3.692 10.222 1.00 44.41 N ATOM 1059 CA VAL A 74 26.376 -5.100 10.387 1.00 55.31 C ATOM 1060 C VAL A 74 26.216 -5.861 9.076 1.00 52.13 C ATOM 1061 O VAL A 74 25.419 -5.480 8.218 1.00 31.32 O ATOM 1062 CB VAL A 74 25.500 -5.766 11.465 1.00 71.14 C ATOM 1063 CG1 VAL A 74 25.996 -7.173 11.761 1.00 74.34 C ATOM 1064 CG2 VAL A 74 25.479 -4.922 12.730 1.00 32.21 C ATOM 0 H VAL A 74 25.331 -3.509 9.506 1.00 44.41 H new ATOM 0 HA VAL A 74 27.419 -5.139 10.701 1.00 55.31 H new ATOM 0 HB VAL A 74 24.480 -5.838 11.087 1.00 71.14 H new ATOM 0 HG11 VAL A 74 25.365 -7.628 12.525 1.00 74.34 H new ATOM 0 HG12 VAL A 74 25.954 -7.772 10.852 1.00 74.34 H new ATOM 0 HG13 VAL A 74 27.025 -7.128 12.119 1.00 74.34 H new ATOM 0 HG21 VAL A 74 24.856 -5.407 13.481 1.00 32.21 H new ATOM 0 HG22 VAL A 74 26.494 -4.817 13.114 1.00 32.21 H new ATOM 0 HG23 VAL A 74 25.073 -3.936 12.503 1.00 32.21 H new ATOM 1074 N SER A 75 26.979 -6.939 8.927 1.00 72.10 N ATOM 1075 CA SER A 75 26.925 -7.753 7.718 1.00 34.03 C ATOM 1076 C SER A 75 25.734 -8.706 7.758 1.00 52.10 C ATOM 1077 O SER A 75 25.681 -9.617 8.583 1.00 22.05 O ATOM 1078 CB SER A 75 28.222 -8.547 7.554 1.00 42.20 C ATOM 1079 OG SER A 75 28.280 -9.625 8.472 1.00 41.03 O ATOM 0 H SER A 75 27.642 -7.269 9.628 1.00 72.10 H new ATOM 0 HA SER A 75 26.806 -7.085 6.865 1.00 34.03 H new ATOM 0 HB2 SER A 75 28.292 -8.929 6.535 1.00 42.20 H new ATOM 0 HB3 SER A 75 29.077 -7.888 7.707 1.00 42.20 H new ATOM 0 HG SER A 75 27.438 -9.675 8.971 1.00 41.03 H new ATOM 1085 N ALA A 76 24.779 -8.488 6.859 1.00 4.22 N ATOM 1086 CA ALA A 76 23.590 -9.327 6.789 1.00 32.22 C ATOM 1087 C ALA A 76 23.865 -10.604 6.002 1.00 34.23 C ATOM 1088 O ALA A 76 24.414 -10.560 4.902 1.00 23.42 O ATOM 1089 CB ALA A 76 22.436 -8.557 6.163 1.00 25.12 C ATOM 0 H ALA A 76 24.806 -7.737 6.169 1.00 4.22 H new ATOM 0 HA ALA A 76 23.315 -9.609 7.805 1.00 32.22 H new ATOM 0 HB1 ALA A 76 21.554 -9.196 6.117 1.00 25.12 H new ATOM 0 HB2 ALA A 76 22.215 -7.677 6.767 1.00 25.12 H new ATOM 0 HB3 ALA A 76 22.711 -8.245 5.155 1.00 25.12 H new ATOM 1095 N ALA A 77 23.479 -11.740 6.574 1.00 71.42 N ATOM 1096 CA ALA A 77 23.683 -13.030 5.925 1.00 52.52 C ATOM 1097 C ALA A 77 22.443 -13.454 5.146 1.00 73.15 C ATOM 1098 O ALA A 77 21.312 -13.329 5.616 1.00 54.15 O ATOM 1099 CB ALA A 77 24.049 -14.087 6.955 1.00 34.35 C ATOM 0 H ALA A 77 23.023 -11.793 7.485 1.00 71.42 H new ATOM 0 HA ALA A 77 24.507 -12.927 5.218 1.00 52.52 H new ATOM 0 HB1 ALA A 77 24.198 -15.045 6.456 1.00 34.35 H new ATOM 0 HB2 ALA A 77 24.968 -13.796 7.464 1.00 34.35 H new ATOM 0 HB3 ALA A 77 23.244 -14.179 7.684 1.00 34.35 H new ATOM 1105 N PRO A 78 22.657 -13.968 3.925 1.00 12.12 N ATOM 1106 CA PRO A 78 21.568 -14.421 3.055 1.00 73.11 C ATOM 1107 C PRO A 78 20.897 -15.687 3.577 1.00 14.23 C ATOM 1108 O PRO A 78 21.556 -16.697 3.816 1.00 22.34 O ATOM 1109 CB PRO A 78 22.270 -14.699 1.723 1.00 11.24 C ATOM 1110 CG PRO A 78 23.683 -14.993 2.094 1.00 15.12 C ATOM 1111 CD PRO A 78 23.979 -14.147 3.301 1.00 14.53 C ATOM 0 HA PRO A 78 20.769 -13.683 2.986 1.00 73.11 H new ATOM 0 HB2 PRO A 78 21.814 -15.541 1.203 1.00 11.24 H new ATOM 0 HB3 PRO A 78 22.207 -13.840 1.055 1.00 11.24 H new ATOM 0 HG2 PRO A 78 23.816 -16.052 2.317 1.00 15.12 H new ATOM 0 HG3 PRO A 78 24.360 -14.753 1.274 1.00 15.12 H new ATOM 0 HD2 PRO A 78 24.678 -14.641 3.976 1.00 14.53 H new ATOM 0 HD3 PRO A 78 24.425 -13.192 3.023 1.00 14.53 H new ATOM 1119 N GLY A 79 19.580 -15.624 3.752 1.00 30.21 N ATOM 1120 CA GLY A 79 18.842 -16.772 4.245 1.00 73.31 C ATOM 1121 C GLY A 79 17.734 -16.382 5.203 1.00 51.42 C ATOM 1122 O GLY A 79 16.812 -17.160 5.449 1.00 14.21 O ATOM 0 H GLY A 79 19.012 -14.799 3.561 1.00 30.21 H new ATOM 0 HA2 GLY A 79 18.415 -17.315 3.402 1.00 73.31 H new ATOM 0 HA3 GLY A 79 19.529 -17.453 4.747 1.00 73.31 H new ATOM 1126 N THR A 80 17.824 -15.172 5.747 1.00 34.15 N ATOM 1127 CA THR A 80 16.823 -14.680 6.686 1.00 20.52 C ATOM 1128 C THR A 80 16.253 -13.342 6.231 1.00 1.22 C ATOM 1129 O THR A 80 16.997 -12.424 5.883 1.00 10.04 O ATOM 1130 CB THR A 80 17.410 -14.521 8.101 1.00 25.22 C ATOM 1131 OG1 THR A 80 18.009 -15.751 8.524 1.00 25.12 O ATOM 1132 CG2 THR A 80 16.332 -14.110 9.092 1.00 52.53 C ATOM 0 H THR A 80 18.580 -14.515 5.553 1.00 34.15 H new ATOM 0 HA THR A 80 16.024 -15.421 6.713 1.00 20.52 H new ATOM 0 HB THR A 80 18.169 -13.739 8.069 1.00 25.22 H new ATOM 0 HG1 THR A 80 18.381 -15.641 9.424 1.00 25.12 H new ATOM 0 HG21 THR A 80 16.771 -14.004 10.084 1.00 52.53 H new ATOM 0 HG22 THR A 80 15.898 -13.159 8.784 1.00 52.53 H new ATOM 0 HG23 THR A 80 15.553 -14.872 9.119 1.00 52.53 H new ATOM 1140 N THR A 81 14.928 -13.235 6.236 1.00 31.43 N ATOM 1141 CA THR A 81 14.258 -12.009 5.824 1.00 41.43 C ATOM 1142 C THR A 81 14.427 -10.912 6.869 1.00 54.12 C ATOM 1143 O THR A 81 14.318 -11.163 8.069 1.00 11.13 O ATOM 1144 CB THR A 81 12.755 -12.244 5.580 1.00 3.44 C ATOM 1145 OG1 THR A 81 12.566 -13.417 4.782 1.00 31.44 O ATOM 1146 CG2 THR A 81 12.126 -11.045 4.886 1.00 34.33 C ATOM 0 H THR A 81 14.297 -13.984 6.521 1.00 31.43 H new ATOM 0 HA THR A 81 14.724 -11.693 4.891 1.00 41.43 H new ATOM 0 HB THR A 81 12.269 -12.381 6.546 1.00 3.44 H new ATOM 0 HG1 THR A 81 11.608 -13.560 4.633 1.00 31.44 H new ATOM 0 HG21 THR A 81 11.065 -11.234 4.724 1.00 34.33 H new ATOM 0 HG22 THR A 81 12.246 -10.159 5.510 1.00 34.33 H new ATOM 0 HG23 THR A 81 12.616 -10.882 3.926 1.00 34.33 H new ATOM 1154 N TYR A 82 14.692 -9.696 6.406 1.00 51.44 N ATOM 1155 CA TYR A 82 14.877 -8.560 7.301 1.00 21.13 C ATOM 1156 C TYR A 82 13.686 -7.610 7.230 1.00 52.32 C ATOM 1157 O TYR A 82 13.241 -7.233 6.145 1.00 60.31 O ATOM 1158 CB TYR A 82 16.163 -7.811 6.950 1.00 44.34 C ATOM 1159 CG TYR A 82 17.420 -8.610 7.209 1.00 22.14 C ATOM 1160 CD1 TYR A 82 17.735 -9.050 8.489 1.00 63.20 C ATOM 1161 CD2 TYR A 82 18.292 -8.926 6.175 1.00 43.02 C ATOM 1162 CE1 TYR A 82 18.883 -9.780 8.731 1.00 70.11 C ATOM 1163 CE2 TYR A 82 19.442 -9.657 6.407 1.00 15.41 C ATOM 1164 CZ TYR A 82 19.733 -10.081 7.687 1.00 53.12 C ATOM 1165 OH TYR A 82 20.876 -10.809 7.923 1.00 2.05 O ATOM 0 H TYR A 82 14.784 -9.471 5.415 1.00 51.44 H new ATOM 0 HA TYR A 82 14.953 -8.942 8.319 1.00 21.13 H new ATOM 0 HB2 TYR A 82 16.133 -7.528 5.898 1.00 44.34 H new ATOM 0 HB3 TYR A 82 16.204 -6.887 7.527 1.00 44.34 H new ATOM 0 HD1 TYR A 82 17.071 -8.817 9.309 1.00 63.20 H new ATOM 0 HD2 TYR A 82 18.067 -8.595 5.172 1.00 43.02 H new ATOM 0 HE1 TYR A 82 19.114 -10.113 9.732 1.00 70.11 H new ATOM 0 HE2 TYR A 82 20.109 -9.895 5.591 1.00 15.41 H new ATOM 0 HH TYR A 82 20.929 -11.551 7.285 1.00 2.05 H new ATOM 1175 N HIS A 83 13.174 -7.225 8.394 1.00 14.35 N ATOM 1176 CA HIS A 83 12.034 -6.317 8.466 1.00 42.22 C ATOM 1177 C HIS A 83 12.471 -4.932 8.934 1.00 44.04 C ATOM 1178 O HIS A 83 13.526 -4.778 9.550 1.00 11.10 O ATOM 1179 CB HIS A 83 10.969 -6.874 9.411 1.00 62.44 C ATOM 1180 CG HIS A 83 9.821 -7.525 8.702 1.00 63.11 C ATOM 1181 ND1 HIS A 83 8.552 -6.986 8.672 1.00 64.11 N ATOM 1182 CD2 HIS A 83 9.756 -8.676 7.993 1.00 65.14 C ATOM 1183 CE1 HIS A 83 7.756 -7.778 7.976 1.00 23.33 C ATOM 1184 NE2 HIS A 83 8.463 -8.811 7.553 1.00 53.14 N ATOM 0 H HIS A 83 13.530 -7.527 9.301 1.00 14.35 H new ATOM 0 HA HIS A 83 11.610 -6.227 7.466 1.00 42.22 H new ATOM 0 HB2 HIS A 83 11.432 -7.600 10.079 1.00 62.44 H new ATOM 0 HB3 HIS A 83 10.589 -6.065 10.034 1.00 62.44 H new ATOM 0 HD2 HIS A 83 10.570 -9.361 7.808 1.00 65.14 H new ATOM 0 HE1 HIS A 83 6.706 -7.610 7.785 1.00 23.33 H new ATOM 0 HE2 HIS A 83 8.106 -9.583 6.991 1.00 53.14 H new ATOM 1192 N VAL A 84 11.654 -3.927 8.636 1.00 43.41 N ATOM 1193 CA VAL A 84 11.956 -2.555 9.026 1.00 4.31 C ATOM 1194 C VAL A 84 10.712 -1.845 9.549 1.00 62.34 C ATOM 1195 O VAL A 84 9.625 -1.986 8.990 1.00 52.21 O ATOM 1196 CB VAL A 84 12.536 -1.750 7.847 1.00 35.41 C ATOM 1197 CG1 VAL A 84 12.833 -0.320 8.271 1.00 24.32 C ATOM 1198 CG2 VAL A 84 13.786 -2.426 7.305 1.00 1.10 C ATOM 0 H VAL A 84 10.778 -4.037 8.126 1.00 43.41 H new ATOM 0 HA VAL A 84 12.701 -2.609 9.820 1.00 4.31 H new ATOM 0 HB VAL A 84 11.793 -1.719 7.050 1.00 35.41 H new ATOM 0 HG11 VAL A 84 13.242 0.233 7.425 1.00 24.32 H new ATOM 0 HG12 VAL A 84 11.913 0.159 8.607 1.00 24.32 H new ATOM 0 HG13 VAL A 84 13.557 -0.325 9.085 1.00 24.32 H new ATOM 0 HG21 VAL A 84 14.183 -1.844 6.473 1.00 1.10 H new ATOM 0 HG22 VAL A 84 14.536 -2.490 8.093 1.00 1.10 H new ATOM 0 HG23 VAL A 84 13.536 -3.429 6.960 1.00 1.10 H new ATOM 1208 N MET A 85 10.880 -1.082 10.624 1.00 64.52 N ATOM 1209 CA MET A 85 9.770 -0.349 11.221 1.00 25.11 C ATOM 1210 C MET A 85 10.133 1.119 11.419 1.00 1.34 C ATOM 1211 O MET A 85 11.101 1.441 12.108 1.00 5.25 O ATOM 1212 CB MET A 85 9.380 -0.975 12.561 1.00 33.32 C ATOM 1213 CG MET A 85 8.002 -0.556 13.049 1.00 25.23 C ATOM 1214 SD MET A 85 6.669 -1.336 12.119 1.00 30.15 S ATOM 1215 CE MET A 85 5.290 -1.093 13.237 1.00 62.14 C ATOM 0 H MET A 85 11.774 -0.955 11.099 1.00 64.52 H new ATOM 0 HA MET A 85 8.921 -0.407 10.540 1.00 25.11 H new ATOM 0 HB2 MET A 85 9.409 -2.061 12.468 1.00 33.32 H new ATOM 0 HB3 MET A 85 10.121 -0.700 13.311 1.00 33.32 H new ATOM 0 HG2 MET A 85 7.901 -0.811 14.104 1.00 25.23 H new ATOM 0 HG3 MET A 85 7.908 0.527 12.973 1.00 25.23 H new ATOM 0 HE1 MET A 85 4.388 -1.523 12.801 1.00 62.14 H new ATOM 0 HE2 MET A 85 5.502 -1.582 14.188 1.00 62.14 H new ATOM 0 HE3 MET A 85 5.140 -0.026 13.403 1.00 62.14 H new ATOM 1225 N ILE A 86 9.351 2.005 10.811 1.00 32.44 N ATOM 1226 CA ILE A 86 9.590 3.438 10.923 1.00 41.15 C ATOM 1227 C ILE A 86 8.514 4.111 11.768 1.00 51.24 C ATOM 1228 O ILE A 86 7.345 4.156 11.384 1.00 32.32 O ATOM 1229 CB ILE A 86 9.635 4.110 9.538 1.00 55.44 C ATOM 1230 CG1 ILE A 86 10.651 3.406 8.637 1.00 4.21 C ATOM 1231 CG2 ILE A 86 9.975 5.587 9.676 1.00 33.23 C ATOM 1232 CD1 ILE A 86 12.085 3.602 9.077 1.00 65.32 C ATOM 0 H ILE A 86 8.547 1.755 10.236 1.00 32.44 H new ATOM 0 HA ILE A 86 10.558 3.560 11.409 1.00 41.15 H new ATOM 0 HB ILE A 86 8.650 4.025 9.078 1.00 55.44 H new ATOM 0 HG12 ILE A 86 10.428 2.339 8.616 1.00 4.21 H new ATOM 0 HG13 ILE A 86 10.538 3.775 7.618 1.00 4.21 H new ATOM 0 HG21 ILE A 86 10.003 6.048 8.689 1.00 33.23 H new ATOM 0 HG22 ILE A 86 9.217 6.080 10.285 1.00 33.23 H new ATOM 0 HG23 ILE A 86 10.949 5.693 10.154 1.00 33.23 H new ATOM 0 HD11 ILE A 86 12.751 3.076 8.393 1.00 65.32 H new ATOM 0 HD12 ILE A 86 12.325 4.665 9.071 1.00 65.32 H new ATOM 0 HD13 ILE A 86 12.214 3.207 10.085 1.00 65.32 H new ATOM 1244 N LYS A 87 8.917 4.636 12.920 1.00 53.11 N ATOM 1245 CA LYS A 87 7.989 5.311 13.820 1.00 73.23 C ATOM 1246 C LYS A 87 8.241 6.815 13.834 1.00 42.00 C ATOM 1247 O LYS A 87 9.387 7.262 13.824 1.00 23.11 O ATOM 1248 CB LYS A 87 8.120 4.747 15.237 1.00 54.54 C ATOM 1249 CG LYS A 87 7.372 3.442 15.444 1.00 73.24 C ATOM 1250 CD LYS A 87 5.892 3.592 15.134 1.00 73.24 C ATOM 1251 CE LYS A 87 5.265 4.720 15.938 1.00 3.50 C ATOM 1252 NZ LYS A 87 5.471 4.539 17.402 1.00 44.23 N ATOM 0 H LYS A 87 9.881 4.607 13.253 1.00 53.11 H new ATOM 0 HA LYS A 87 6.976 5.134 13.457 1.00 73.23 H new ATOM 0 HB2 LYS A 87 9.175 4.590 15.460 1.00 54.54 H new ATOM 0 HB3 LYS A 87 7.750 5.485 15.948 1.00 54.54 H new ATOM 0 HG2 LYS A 87 7.802 2.670 14.806 1.00 73.24 H new ATOM 0 HG3 LYS A 87 7.497 3.110 16.475 1.00 73.24 H new ATOM 0 HD2 LYS A 87 5.760 3.786 14.070 1.00 73.24 H new ATOM 0 HD3 LYS A 87 5.377 2.657 15.354 1.00 73.24 H new ATOM 0 HE2 LYS A 87 5.695 5.671 15.626 1.00 3.50 H new ATOM 0 HE3 LYS A 87 4.197 4.768 15.725 1.00 3.50 H new ATOM 0 HZ1 LYS A 87 4.891 5.228 17.922 1.00 44.23 H new ATOM 0 HZ2 LYS A 87 5.192 3.575 17.675 1.00 44.23 H new ATOM 0 HZ3 LYS A 87 6.474 4.687 17.632 1.00 44.23 H new ATOM 1266 N GLY A 88 7.162 7.592 13.859 1.00 61.44 N ATOM 1267 CA GLY A 88 7.289 9.037 13.875 1.00 11.24 C ATOM 1268 C GLY A 88 6.977 9.631 15.235 1.00 75.13 C ATOM 1269 O GLY A 88 6.174 9.082 15.990 1.00 24.32 O ATOM 0 H GLY A 88 6.203 7.246 13.868 1.00 61.44 H new ATOM 0 HA2 GLY A 88 8.303 9.313 13.585 1.00 11.24 H new ATOM 0 HA3 GLY A 88 6.617 9.466 13.132 1.00 11.24 H new ATOM 1273 N TYR A 89 7.612 10.754 15.548 1.00 42.42 N ATOM 1274 CA TYR A 89 7.401 11.421 16.827 1.00 20.14 C ATOM 1275 C TYR A 89 6.816 12.815 16.625 1.00 2.43 C ATOM 1276 O TYR A 89 6.279 13.416 17.556 1.00 42.43 O ATOM 1277 CB TYR A 89 8.717 11.515 17.601 1.00 64.24 C ATOM 1278 CG TYR A 89 8.547 11.417 19.100 1.00 64.12 C ATOM 1279 CD1 TYR A 89 8.050 12.487 19.834 1.00 44.24 C ATOM 1280 CD2 TYR A 89 8.884 10.255 19.783 1.00 64.12 C ATOM 1281 CE1 TYR A 89 7.894 12.403 21.204 1.00 71.34 C ATOM 1282 CE2 TYR A 89 8.730 10.161 21.152 1.00 32.13 C ATOM 1283 CZ TYR A 89 8.235 11.237 21.858 1.00 15.42 C ATOM 1284 OH TYR A 89 8.080 11.148 23.223 1.00 44.23 O ATOM 0 H TYR A 89 8.278 11.222 14.933 1.00 42.42 H new ATOM 0 HA TYR A 89 6.690 10.829 17.403 1.00 20.14 H new ATOM 0 HB2 TYR A 89 9.383 10.719 17.267 1.00 64.24 H new ATOM 0 HB3 TYR A 89 9.204 12.460 17.360 1.00 64.24 H new ATOM 0 HD1 TYR A 89 7.781 13.400 19.324 1.00 44.24 H new ATOM 0 HD2 TYR A 89 9.273 9.411 19.234 1.00 64.12 H new ATOM 0 HE1 TYR A 89 7.508 13.245 21.760 1.00 71.34 H new ATOM 0 HE2 TYR A 89 8.996 9.250 21.667 1.00 32.13 H new ATOM 0 HH TYR A 89 8.365 10.261 23.527 1.00 44.23 H new ATOM 1294 N SER A 90 6.924 13.324 15.402 1.00 64.31 N ATOM 1295 CA SER A 90 6.410 14.649 15.076 1.00 32.34 C ATOM 1296 C SER A 90 6.618 14.964 13.598 1.00 14.22 C ATOM 1297 O SER A 90 7.720 14.822 13.071 1.00 1.23 O ATOM 1298 CB SER A 90 7.095 15.711 15.938 1.00 44.14 C ATOM 1299 OG SER A 90 8.380 15.280 16.353 1.00 72.11 O ATOM 0 H SER A 90 7.363 12.838 14.620 1.00 64.31 H new ATOM 0 HA SER A 90 5.340 14.658 15.284 1.00 32.34 H new ATOM 0 HB2 SER A 90 7.184 16.640 15.374 1.00 44.14 H new ATOM 0 HB3 SER A 90 6.480 15.926 16.812 1.00 44.14 H new ATOM 0 HG SER A 90 8.942 15.121 15.566 1.00 72.11 H new ATOM 1305 N ASN A 91 5.549 15.393 12.935 1.00 14.22 N ATOM 1306 CA ASN A 91 5.612 15.729 11.517 1.00 24.33 C ATOM 1307 C ASN A 91 7.004 16.225 11.138 1.00 43.11 C ATOM 1308 O ASN A 91 7.408 17.324 11.519 1.00 41.02 O ATOM 1309 CB ASN A 91 4.568 16.794 11.177 1.00 63.15 C ATOM 1310 CG ASN A 91 4.443 17.023 9.683 1.00 55.03 C ATOM 1311 OD1 ASN A 91 5.383 16.783 8.925 1.00 33.42 O ATOM 1312 ND2 ASN A 91 3.277 17.491 9.252 1.00 35.42 N ATOM 0 H ASN A 91 4.629 15.516 13.357 1.00 14.22 H new ATOM 0 HA ASN A 91 5.399 14.826 10.945 1.00 24.33 H new ATOM 0 HB2 ASN A 91 3.601 16.492 11.578 1.00 63.15 H new ATOM 0 HB3 ASN A 91 4.837 17.731 11.665 1.00 63.15 H new ATOM 0 HD21 ASN A 91 3.134 17.665 8.257 1.00 35.42 H new ATOM 0 HD22 ASN A 91 2.525 17.676 9.916 1.00 35.42 H new ATOM 1319 N TYR A 92 7.733 15.408 10.385 1.00 14.20 N ATOM 1320 CA TYR A 92 9.080 15.763 9.955 1.00 31.12 C ATOM 1321 C TYR A 92 9.563 14.829 8.850 1.00 72.40 C ATOM 1322 O TYR A 92 9.782 13.639 9.079 1.00 55.12 O ATOM 1323 CB TYR A 92 10.046 15.712 11.140 1.00 70.30 C ATOM 1324 CG TYR A 92 11.130 16.764 11.083 1.00 24.20 C ATOM 1325 CD1 TYR A 92 12.183 16.657 10.183 1.00 24.40 C ATOM 1326 CD2 TYR A 92 11.101 17.866 11.929 1.00 63.21 C ATOM 1327 CE1 TYR A 92 13.177 17.615 10.128 1.00 14.22 C ATOM 1328 CE2 TYR A 92 12.089 18.830 11.880 1.00 5.01 C ATOM 1329 CZ TYR A 92 13.125 18.700 10.979 1.00 61.05 C ATOM 1330 OH TYR A 92 14.112 19.658 10.926 1.00 31.31 O ATOM 0 H TYR A 92 7.413 14.496 10.060 1.00 14.20 H new ATOM 0 HA TYR A 92 9.052 16.779 9.561 1.00 31.12 H new ATOM 0 HB2 TYR A 92 9.481 15.834 12.064 1.00 70.30 H new ATOM 0 HB3 TYR A 92 10.510 14.726 11.178 1.00 70.30 H new ATOM 0 HD1 TYR A 92 12.225 15.810 9.514 1.00 24.40 H new ATOM 0 HD2 TYR A 92 10.292 17.971 12.637 1.00 63.21 H new ATOM 0 HE1 TYR A 92 13.989 17.515 9.423 1.00 14.22 H new ATOM 0 HE2 TYR A 92 12.050 19.681 12.544 1.00 5.01 H new ATOM 0 HH TYR A 92 13.927 20.355 11.589 1.00 31.31 H new ATOM 1340 N SER A 93 9.728 15.377 7.650 1.00 14.05 N ATOM 1341 CA SER A 93 10.182 14.593 6.508 1.00 54.55 C ATOM 1342 C SER A 93 11.481 15.159 5.943 1.00 40.33 C ATOM 1343 O SER A 93 11.880 16.275 6.272 1.00 3.42 O ATOM 1344 CB SER A 93 9.107 14.570 5.419 1.00 33.22 C ATOM 1345 OG SER A 93 8.603 15.871 5.171 1.00 0.05 O ATOM 0 H SER A 93 9.554 16.361 7.444 1.00 14.05 H new ATOM 0 HA SER A 93 10.367 13.574 6.848 1.00 54.55 H new ATOM 0 HB2 SER A 93 9.524 14.157 4.501 1.00 33.22 H new ATOM 0 HB3 SER A 93 8.292 13.913 5.722 1.00 33.22 H new ATOM 0 HG SER A 93 7.919 15.829 4.470 1.00 0.05 H new ATOM 1351 N GLY A 94 12.137 14.379 5.089 1.00 41.43 N ATOM 1352 CA GLY A 94 13.385 14.818 4.491 1.00 14.51 C ATOM 1353 C GLY A 94 14.564 13.969 4.922 1.00 41.43 C ATOM 1354 O GLY A 94 15.710 14.416 4.874 1.00 3.21 O ATOM 0 H GLY A 94 11.827 13.451 4.801 1.00 41.43 H new ATOM 0 HA2 GLY A 94 13.295 14.785 3.405 1.00 14.51 H new ATOM 0 HA3 GLY A 94 13.570 15.857 4.765 1.00 14.51 H new ATOM 1358 N VAL A 95 14.284 12.741 5.345 1.00 31.11 N ATOM 1359 CA VAL A 95 15.331 11.827 5.787 1.00 54.13 C ATOM 1360 C VAL A 95 15.461 10.641 4.838 1.00 35.42 C ATOM 1361 O VAL A 95 14.480 10.201 4.237 1.00 34.24 O ATOM 1362 CB VAL A 95 15.056 11.305 7.210 1.00 43.14 C ATOM 1363 CG1 VAL A 95 16.290 10.615 7.772 1.00 14.25 C ATOM 1364 CG2 VAL A 95 14.610 12.442 8.117 1.00 65.11 C ATOM 0 H VAL A 95 13.341 12.356 5.391 1.00 31.11 H new ATOM 0 HA VAL A 95 16.264 12.391 5.789 1.00 54.13 H new ATOM 0 HB VAL A 95 14.250 10.573 7.162 1.00 43.14 H new ATOM 0 HG11 VAL A 95 16.078 10.252 8.778 1.00 14.25 H new ATOM 0 HG12 VAL A 95 16.560 9.774 7.133 1.00 14.25 H new ATOM 0 HG13 VAL A 95 17.118 11.323 7.809 1.00 14.25 H new ATOM 0 HG21 VAL A 95 14.420 12.056 9.118 1.00 65.11 H new ATOM 0 HG22 VAL A 95 15.393 13.199 8.163 1.00 65.11 H new ATOM 0 HG23 VAL A 95 13.697 12.887 7.721 1.00 65.11 H new ATOM 1374 N THR A 96 16.679 10.125 4.708 1.00 71.32 N ATOM 1375 CA THR A 96 16.938 8.989 3.832 1.00 43.10 C ATOM 1376 C THR A 96 17.179 7.717 4.637 1.00 11.42 C ATOM 1377 O THR A 96 18.034 7.684 5.523 1.00 63.40 O ATOM 1378 CB THR A 96 18.156 9.246 2.924 1.00 12.52 C ATOM 1379 OG1 THR A 96 18.051 10.540 2.320 1.00 43.34 O ATOM 1380 CG2 THR A 96 18.258 8.182 1.842 1.00 45.30 C ATOM 0 H THR A 96 17.502 10.476 5.198 1.00 71.32 H new ATOM 0 HA THR A 96 16.051 8.860 3.211 1.00 43.10 H new ATOM 0 HB THR A 96 19.056 9.204 3.538 1.00 12.52 H new ATOM 0 HG1 THR A 96 18.829 10.697 1.746 1.00 43.34 H new ATOM 0 HG21 THR A 96 19.125 8.384 1.213 1.00 45.30 H new ATOM 0 HG22 THR A 96 18.366 7.201 2.305 1.00 45.30 H new ATOM 0 HG23 THR A 96 17.356 8.197 1.231 1.00 45.30 H new ATOM 1388 N LEU A 97 16.421 6.672 4.324 1.00 13.45 N ATOM 1389 CA LEU A 97 16.552 5.396 5.019 1.00 3.42 C ATOM 1390 C LEU A 97 17.197 4.349 4.117 1.00 54.03 C ATOM 1391 O LEU A 97 16.837 4.216 2.947 1.00 63.14 O ATOM 1392 CB LEU A 97 15.182 4.906 5.491 1.00 41.42 C ATOM 1393 CG LEU A 97 15.140 3.497 6.082 1.00 24.12 C ATOM 1394 CD1 LEU A 97 15.276 3.549 7.596 1.00 31.00 C ATOM 1395 CD2 LEU A 97 13.853 2.789 5.684 1.00 3.41 C ATOM 0 H LEU A 97 15.709 6.683 3.593 1.00 13.45 H new ATOM 0 HA LEU A 97 17.195 5.547 5.886 1.00 3.42 H new ATOM 0 HB2 LEU A 97 14.807 5.604 6.240 1.00 41.42 H new ATOM 0 HB3 LEU A 97 14.494 4.945 4.647 1.00 41.42 H new ATOM 0 HG LEU A 97 15.981 2.931 5.681 1.00 24.12 H new ATOM 0 HD11 LEU A 97 15.244 2.537 7.999 1.00 31.00 H new ATOM 0 HD12 LEU A 97 16.225 4.015 7.860 1.00 31.00 H new ATOM 0 HD13 LEU A 97 14.456 4.133 8.015 1.00 31.00 H new ATOM 0 HD21 LEU A 97 13.841 1.787 6.114 1.00 3.41 H new ATOM 0 HD22 LEU A 97 12.998 3.353 6.055 1.00 3.41 H new ATOM 0 HD23 LEU A 97 13.798 2.718 4.598 1.00 3.41 H new ATOM 1407 N LYS A 98 18.150 3.606 4.669 1.00 75.43 N ATOM 1408 CA LYS A 98 18.843 2.567 3.916 1.00 34.30 C ATOM 1409 C LYS A 98 19.177 1.378 4.811 1.00 25.12 C ATOM 1410 O LYS A 98 19.310 1.521 6.027 1.00 11.44 O ATOM 1411 CB LYS A 98 20.124 3.127 3.294 1.00 14.32 C ATOM 1412 CG LYS A 98 20.793 2.175 2.318 1.00 1.32 C ATOM 1413 CD LYS A 98 20.249 2.347 0.910 1.00 71.31 C ATOM 1414 CE LYS A 98 18.888 1.685 0.754 1.00 42.12 C ATOM 1415 NZ LYS A 98 18.731 1.049 -0.584 1.00 13.54 N ATOM 0 H LYS A 98 18.460 3.704 5.636 1.00 75.43 H new ATOM 0 HA LYS A 98 18.180 2.226 3.121 1.00 34.30 H new ATOM 0 HB2 LYS A 98 19.890 4.058 2.778 1.00 14.32 H new ATOM 0 HB3 LYS A 98 20.827 3.372 4.090 1.00 14.32 H new ATOM 0 HG2 LYS A 98 21.869 2.350 2.317 1.00 1.32 H new ATOM 0 HG3 LYS A 98 20.637 1.147 2.646 1.00 1.32 H new ATOM 0 HD2 LYS A 98 20.167 3.409 0.677 1.00 71.31 H new ATOM 0 HD3 LYS A 98 20.949 1.917 0.193 1.00 71.31 H new ATOM 0 HE2 LYS A 98 18.759 0.932 1.531 1.00 42.12 H new ATOM 0 HE3 LYS A 98 18.104 2.428 0.897 1.00 42.12 H new ATOM 0 HZ1 LYS A 98 17.804 0.580 -0.639 1.00 13.54 H new ATOM 0 HZ2 LYS A 98 18.795 1.777 -1.324 1.00 13.54 H new ATOM 0 HZ3 LYS A 98 19.484 0.345 -0.724 1.00 13.54 H new ATOM 1429 N LEU A 99 19.315 0.205 4.203 1.00 53.25 N ATOM 1430 CA LEU A 99 19.636 -1.009 4.945 1.00 41.04 C ATOM 1431 C LEU A 99 21.146 -1.188 5.069 1.00 51.33 C ATOM 1432 O LEU A 99 21.897 -0.851 4.154 1.00 71.53 O ATOM 1433 CB LEU A 99 19.022 -2.229 4.256 1.00 14.10 C ATOM 1434 CG LEU A 99 19.899 -3.480 4.198 1.00 42.32 C ATOM 1435 CD1 LEU A 99 19.040 -4.731 4.099 1.00 52.51 C ATOM 1436 CD2 LEU A 99 20.865 -3.400 3.024 1.00 13.33 C ATOM 0 H LEU A 99 19.210 0.069 3.198 1.00 53.25 H new ATOM 0 HA LEU A 99 19.216 -0.915 5.946 1.00 41.04 H new ATOM 0 HB2 LEU A 99 18.095 -2.483 4.770 1.00 14.10 H new ATOM 0 HB3 LEU A 99 18.755 -1.949 3.237 1.00 14.10 H new ATOM 0 HG LEU A 99 20.480 -3.536 5.118 1.00 42.32 H new ATOM 0 HD11 LEU A 99 19.682 -5.611 4.059 1.00 52.51 H new ATOM 0 HD12 LEU A 99 18.390 -4.796 4.971 1.00 52.51 H new ATOM 0 HD13 LEU A 99 18.432 -4.684 3.196 1.00 52.51 H new ATOM 0 HD21 LEU A 99 21.481 -4.299 2.998 1.00 13.33 H new ATOM 0 HD22 LEU A 99 20.302 -3.319 2.094 1.00 13.33 H new ATOM 0 HD23 LEU A 99 21.504 -2.525 3.138 1.00 13.33 H new ATOM 1448 N GLN A 100 21.582 -1.721 6.205 1.00 10.35 N ATOM 1449 CA GLN A 100 23.002 -1.945 6.448 1.00 61.41 C ATOM 1450 C GLN A 100 23.402 -3.366 6.063 1.00 10.10 C ATOM 1451 O GLN A 100 22.978 -4.334 6.695 1.00 12.31 O ATOM 1452 CB GLN A 100 23.337 -1.689 7.918 1.00 31.33 C ATOM 1453 CG GLN A 100 22.204 -2.038 8.870 1.00 52.31 C ATOM 1454 CD GLN A 100 21.674 -3.442 8.657 1.00 54.14 C ATOM 1455 OE1 GLN A 100 20.731 -3.653 7.893 1.00 51.40 O ATOM 1456 NE2 GLN A 100 22.278 -4.412 9.332 1.00 22.20 N ATOM 0 H GLN A 100 20.973 -2.006 6.972 1.00 10.35 H new ATOM 0 HA GLN A 100 23.565 -1.247 5.828 1.00 61.41 H new ATOM 0 HB2 GLN A 100 24.219 -2.270 8.188 1.00 31.33 H new ATOM 0 HB3 GLN A 100 23.597 -0.638 8.045 1.00 31.33 H new ATOM 0 HG2 GLN A 100 22.554 -1.938 9.897 1.00 52.31 H new ATOM 0 HG3 GLN A 100 21.391 -1.323 8.739 1.00 52.31 H new ATOM 0 HE21 GLN A 100 23.056 -4.192 9.954 1.00 22.20 H new ATOM 0 HE22 GLN A 100 21.965 -5.377 9.228 1.00 22.20 H new ATOM 1465 N TYR A 101 24.220 -3.484 5.023 1.00 52.40 N ATOM 1466 CA TYR A 101 24.675 -4.786 4.552 1.00 33.40 C ATOM 1467 C TYR A 101 26.198 -4.867 4.560 1.00 42.02 C ATOM 1468 O TYR A 101 26.807 -5.378 3.621 1.00 1.33 O ATOM 1469 CB TYR A 101 24.146 -5.056 3.142 1.00 11.42 C ATOM 1470 CG TYR A 101 24.682 -4.099 2.101 1.00 12.45 C ATOM 1471 CD1 TYR A 101 24.256 -2.777 2.060 1.00 40.24 C ATOM 1472 CD2 TYR A 101 25.615 -4.516 1.160 1.00 30.34 C ATOM 1473 CE1 TYR A 101 24.742 -1.899 1.110 1.00 25.40 C ATOM 1474 CE2 TYR A 101 26.108 -3.645 0.208 1.00 20.41 C ATOM 1475 CZ TYR A 101 25.668 -2.338 0.187 1.00 64.24 C ATOM 1476 OH TYR A 101 26.156 -1.467 -0.760 1.00 45.10 O ATOM 0 H TYR A 101 24.582 -2.693 4.490 1.00 52.40 H new ATOM 0 HA TYR A 101 24.285 -5.545 5.230 1.00 33.40 H new ATOM 0 HB2 TYR A 101 24.405 -6.075 2.855 1.00 11.42 H new ATOM 0 HB3 TYR A 101 23.058 -4.995 3.153 1.00 11.42 H new ATOM 0 HD1 TYR A 101 23.533 -2.430 2.783 1.00 40.24 H new ATOM 0 HD2 TYR A 101 25.961 -5.539 1.173 1.00 30.34 H new ATOM 0 HE1 TYR A 101 24.399 -0.875 1.090 1.00 25.40 H new ATOM 0 HE2 TYR A 101 26.834 -3.985 -0.516 1.00 20.41 H new ATOM 0 HH TYR A 101 26.800 -1.934 -1.333 1.00 45.10 H new