USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1071 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 52 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0464 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.445 K(o=0.45,f=-3.8!) USER MOD Single : A 12 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.16) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -41:sc= 0.0557 USER MOD Single : A 28 LYS NZ :NH3+ -150:sc= 1.23 (180deg=0.48) USER MOD Single : A 33 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.4!) USER MOD Single : A 38 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.4) USER MOD Single : A 39 CYS SG : rot 37:sc= -0.174 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.742 USER MOD Single : A 45 ASN : amide:sc= -0.283 K(o=-0.28,f=-4.6!) USER MOD Single : A 49 CYS SG : rot 27:sc= 1.38 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -128:sc= 0 (180deg=-0.0269) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 CYS SG : rot 180:sc= -1.19 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 66:sc= 0.208 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 74 THR OG1 : rot -91:sc= 1.42 USER MOD Single : A 75 GLN : amide:sc= 0.207 X(o=0.21,f=-0.17) USER MOD Single : A 81 GLN : amide:sc= 0.348 K(o=0.35,f=-4.6!) USER MOD Single : A 84 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.36) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0.159 USER MOD Single : A 101 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000978) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 108:sc= 0.536 USER MOD Single : A 108 CYS SG : rot 179:sc= -0.145 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 1.13 K(o=1.1,f=-3.7!) USER MOD Single : A 124 MET CE :methyl 140:sc= -0.0952 (180deg=-0.174) USER MOD Single : A 128 ASN : amide:sc= 0.892 K(o=0.89,f=-0.58) USER MOD Single : A 133 MET CE :methyl 176:sc= 0 (180deg=-0.0223) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.682 -5.105 -22.196 1.00 0.00 N ATOM 2 CA MET A 1 12.546 -4.134 -22.120 1.00 0.00 C ATOM 3 C MET A 1 11.269 -4.718 -22.755 1.00 0.00 C ATOM 4 O MET A 1 11.384 -5.498 -23.706 1.00 0.00 O ATOM 5 CB MET A 1 12.891 -2.775 -22.783 1.00 0.00 C ATOM 6 CG MET A 1 13.877 -1.923 -21.969 1.00 0.00 C ATOM 7 SD MET A 1 13.293 -1.465 -20.310 1.00 0.00 S ATOM 8 CE MET A 1 14.686 -0.435 -19.769 1.00 0.00 C ATOM 0 H1 MET A 1 14.546 -4.606 -22.491 1.00 0.00 H new ATOM 0 H2 MET A 1 13.833 -5.536 -21.262 1.00 0.00 H new ATOM 0 H3 MET A 1 13.458 -5.848 -22.888 1.00 0.00 H new ATOM 0 HA MET A 1 12.364 -3.954 -21.061 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.314 -2.960 -23.771 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.971 -2.209 -22.931 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.815 -2.470 -21.871 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.096 -1.012 -22.527 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.496 -0.065 -18.761 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.600 -1.029 -19.771 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.800 0.409 -20.449 1.00 0.00 H new ATOM 18 N PRO A 2 10.061 -4.355 -22.261 1.00 0.00 N ATOM 19 CA PRO A 2 8.786 -4.825 -22.810 1.00 0.00 C ATOM 20 C PRO A 2 8.533 -4.248 -24.212 1.00 0.00 C ATOM 21 O PRO A 2 8.728 -3.054 -24.440 1.00 0.00 O ATOM 22 CB PRO A 2 7.711 -4.403 -21.800 1.00 0.00 C ATOM 23 CG PRO A 2 8.326 -3.210 -21.075 1.00 0.00 C ATOM 24 CD PRO A 2 9.823 -3.512 -21.089 1.00 0.00 C ATOM 0 HA PRO A 2 8.781 -5.907 -22.945 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.781 -4.130 -22.299 1.00 0.00 H new ATOM 0 HB3 PRO A 2 7.476 -5.211 -21.108 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.102 -2.273 -21.584 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.945 -3.119 -20.058 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.405 -2.592 -21.147 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.125 -4.023 -20.175 1.00 0.00 H new ATOM 32 N VAL A 3 8.097 -5.100 -25.146 1.00 0.00 N ATOM 33 CA VAL A 3 7.936 -4.765 -26.574 1.00 0.00 C ATOM 34 C VAL A 3 6.468 -4.452 -26.892 1.00 0.00 C ATOM 35 O VAL A 3 5.602 -5.322 -26.806 1.00 0.00 O ATOM 36 CB VAL A 3 8.469 -5.898 -27.486 1.00 0.00 C ATOM 37 CG1 VAL A 3 8.313 -5.548 -28.977 1.00 0.00 C ATOM 38 CG2 VAL A 3 9.959 -6.172 -27.212 1.00 0.00 C ATOM 0 H VAL A 3 7.839 -6.063 -24.931 1.00 0.00 H new ATOM 0 HA VAL A 3 8.531 -3.874 -26.777 1.00 0.00 H new ATOM 0 HB VAL A 3 7.876 -6.784 -27.257 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.698 -6.367 -29.585 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.259 -5.391 -29.205 1.00 0.00 H new ATOM 0 HG13 VAL A 3 8.872 -4.638 -29.198 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.308 -6.972 -27.865 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.537 -5.268 -27.404 1.00 0.00 H new ATOM 0 HG23 VAL A 3 10.089 -6.471 -26.172 1.00 0.00 H new ATOM 48 N ARG A 4 6.200 -3.198 -27.277 1.00 0.00 N ATOM 49 CA ARG A 4 4.860 -2.692 -27.622 1.00 0.00 C ATOM 50 C ARG A 4 4.507 -2.964 -29.103 1.00 0.00 C ATOM 51 O ARG A 4 5.348 -3.433 -29.879 1.00 0.00 O ATOM 52 CB ARG A 4 4.772 -1.185 -27.287 1.00 0.00 C ATOM 53 CG ARG A 4 4.713 -0.850 -25.783 1.00 0.00 C ATOM 54 CD ARG A 4 6.017 -1.097 -25.011 1.00 0.00 C ATOM 55 NE ARG A 4 5.991 -0.416 -23.703 1.00 0.00 N ATOM 56 CZ ARG A 4 7.042 0.033 -23.026 1.00 0.00 C ATOM 57 NH1 ARG A 4 8.278 -0.225 -23.399 1.00 0.00 N ATOM 58 NH2 ARG A 4 6.857 0.756 -21.943 1.00 0.00 N ATOM 0 H ARG A 4 6.926 -2.487 -27.360 1.00 0.00 H new ATOM 0 HA ARG A 4 4.124 -3.229 -27.024 1.00 0.00 H new ATOM 0 HB2 ARG A 4 5.635 -0.681 -27.722 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.886 -0.773 -27.770 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.435 0.198 -25.670 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.920 -1.441 -25.325 1.00 0.00 H new ATOM 0 HD2 ARG A 4 6.161 -2.168 -24.865 1.00 0.00 H new ATOM 0 HD3 ARG A 4 6.864 -0.738 -25.596 1.00 0.00 H new ATOM 0 HE ARG A 4 5.075 -0.276 -23.276 1.00 0.00 H new ATOM 0 HH11 ARG A 4 8.453 -0.786 -24.233 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.061 0.137 -22.854 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.911 0.969 -21.627 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.660 1.104 -21.419 1.00 0.00 H new ATOM 72 N ARG A 5 3.269 -2.642 -29.506 1.00 0.00 N ATOM 73 CA ARG A 5 2.798 -2.690 -30.903 1.00 0.00 C ATOM 74 C ARG A 5 3.684 -1.850 -31.844 1.00 0.00 C ATOM 75 O ARG A 5 4.232 -0.820 -31.442 1.00 0.00 O ATOM 76 CB ARG A 5 1.313 -2.278 -31.002 1.00 0.00 C ATOM 77 CG ARG A 5 1.007 -0.862 -30.468 1.00 0.00 C ATOM 78 CD ARG A 5 -0.401 -0.373 -30.832 1.00 0.00 C ATOM 79 NE ARG A 5 -1.460 -1.158 -30.167 1.00 0.00 N ATOM 80 CZ ARG A 5 -2.769 -1.016 -30.352 1.00 0.00 C ATOM 81 NH1 ARG A 5 -3.266 -0.123 -31.183 1.00 0.00 N ATOM 82 NH2 ARG A 5 -3.609 -1.782 -29.688 1.00 0.00 N ATOM 0 H ARG A 5 2.547 -2.333 -28.855 1.00 0.00 H new ATOM 0 HA ARG A 5 2.881 -3.724 -31.237 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.002 -2.335 -32.045 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.711 -2.999 -30.450 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.118 -0.857 -29.384 1.00 0.00 H new ATOM 0 HG3 ARG A 5 1.742 -0.163 -30.867 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.501 0.676 -30.554 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.534 -0.430 -31.912 1.00 0.00 H new ATOM 0 HE ARG A 5 -1.160 -1.874 -29.506 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.641 0.487 -31.709 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.276 -0.042 -31.300 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.255 -2.481 -29.035 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -4.614 -1.677 -29.827 1.00 0.00 H new ATOM 96 N GLY A 6 3.814 -2.285 -33.100 1.00 0.00 N ATOM 97 CA GLY A 6 4.670 -1.643 -34.106 1.00 0.00 C ATOM 98 C GLY A 6 3.911 -0.604 -34.931 1.00 0.00 C ATOM 99 O GLY A 6 3.099 -0.964 -35.783 1.00 0.00 O ATOM 0 H GLY A 6 3.321 -3.105 -33.454 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.514 -1.164 -33.610 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.080 -2.403 -34.771 1.00 0.00 H new ATOM 103 N HIS A 7 4.208 0.677 -34.705 1.00 0.00 N ATOM 104 CA HIS A 7 3.676 1.840 -35.433 1.00 0.00 C ATOM 105 C HIS A 7 4.493 3.115 -35.108 1.00 0.00 C ATOM 106 O HIS A 7 5.269 3.123 -34.146 1.00 0.00 O ATOM 107 CB HIS A 7 2.171 2.040 -35.128 1.00 0.00 C ATOM 108 CG HIS A 7 1.852 2.639 -33.776 1.00 0.00 C ATOM 109 ND1 HIS A 7 1.080 3.758 -33.547 1.00 0.00 N ATOM 110 CD2 HIS A 7 2.243 2.170 -32.549 1.00 0.00 C ATOM 111 CE1 HIS A 7 1.011 3.957 -32.220 1.00 0.00 C ATOM 112 NE2 HIS A 7 1.706 3.010 -31.562 1.00 0.00 N ATOM 0 H HIS A 7 4.861 0.950 -33.970 1.00 0.00 H new ATOM 0 HA HIS A 7 3.774 1.648 -36.501 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.744 2.681 -35.899 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.672 1.074 -35.204 1.00 0.00 H new ATOM 0 HD2 HIS A 7 2.860 1.301 -32.372 1.00 0.00 H new ATOM 0 HE1 HIS A 7 0.473 4.765 -31.747 1.00 0.00 H new ATOM 0 HE2 HIS A 7 1.819 2.921 -30.552 1.00 0.00 H new ATOM 120 N VAL A 8 4.309 4.197 -35.881 1.00 0.00 N ATOM 121 CA VAL A 8 4.886 5.532 -35.609 1.00 0.00 C ATOM 122 C VAL A 8 3.828 6.611 -35.865 1.00 0.00 C ATOM 123 O VAL A 8 3.137 6.596 -36.884 1.00 0.00 O ATOM 124 CB VAL A 8 6.150 5.825 -36.460 1.00 0.00 C ATOM 125 CG1 VAL A 8 6.763 7.201 -36.136 1.00 0.00 C ATOM 126 CG2 VAL A 8 7.246 4.762 -36.264 1.00 0.00 C ATOM 0 H VAL A 8 3.745 4.173 -36.730 1.00 0.00 H new ATOM 0 HA VAL A 8 5.195 5.543 -34.564 1.00 0.00 H new ATOM 0 HB VAL A 8 5.805 5.809 -37.494 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.645 7.361 -36.756 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.030 7.982 -36.338 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.048 7.234 -35.084 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.109 5.012 -36.881 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.544 4.736 -35.216 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.862 3.785 -36.557 1.00 0.00 H new ATOM 136 N ALA A 9 3.739 7.560 -34.932 1.00 0.00 N ATOM 137 CA ALA A 9 2.898 8.757 -34.968 1.00 0.00 C ATOM 138 C ALA A 9 3.497 9.819 -34.014 1.00 0.00 C ATOM 139 O ALA A 9 4.189 9.429 -33.064 1.00 0.00 O ATOM 140 CB ALA A 9 1.466 8.361 -34.567 1.00 0.00 C ATOM 0 H ALA A 9 4.289 7.509 -34.074 1.00 0.00 H new ATOM 0 HA ALA A 9 2.863 9.189 -35.968 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.825 9.242 -34.589 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.084 7.618 -35.267 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.473 7.942 -33.561 1.00 0.00 H new ATOM 146 N PRO A 10 3.258 11.131 -34.231 1.00 0.00 N ATOM 147 CA PRO A 10 3.798 12.187 -33.379 1.00 0.00 C ATOM 148 C PRO A 10 3.207 12.084 -31.968 1.00 0.00 C ATOM 149 O PRO A 10 2.020 12.331 -31.749 1.00 0.00 O ATOM 150 CB PRO A 10 3.464 13.507 -34.083 1.00 0.00 C ATOM 151 CG PRO A 10 2.243 13.167 -34.937 1.00 0.00 C ATOM 152 CD PRO A 10 2.486 11.708 -35.324 1.00 0.00 C ATOM 0 HA PRO A 10 4.877 12.108 -33.243 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.243 14.298 -33.366 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.296 13.855 -34.695 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.315 13.287 -34.379 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.173 13.810 -35.814 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.544 11.177 -35.460 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.030 11.639 -36.266 1.00 0.00 H new ATOM 160 N GLN A 11 4.057 11.699 -31.012 1.00 0.00 N ATOM 161 CA GLN A 11 3.722 11.601 -29.591 1.00 0.00 C ATOM 162 C GLN A 11 3.511 12.993 -28.963 1.00 0.00 C ATOM 163 O GLN A 11 3.926 14.018 -29.514 1.00 0.00 O ATOM 164 CB GLN A 11 4.825 10.840 -28.824 1.00 0.00 C ATOM 165 CG GLN A 11 5.165 9.437 -29.369 1.00 0.00 C ATOM 166 CD GLN A 11 6.196 9.407 -30.511 1.00 0.00 C ATOM 167 OE1 GLN A 11 6.631 10.420 -31.049 1.00 0.00 O ATOM 168 NE2 GLN A 11 6.644 8.234 -30.915 1.00 0.00 N ATOM 0 H GLN A 11 5.023 11.440 -31.212 1.00 0.00 H new ATOM 0 HA GLN A 11 2.786 11.047 -29.513 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.732 11.444 -28.833 1.00 0.00 H new ATOM 0 HB3 GLN A 11 4.518 10.742 -27.783 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.540 8.827 -28.547 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.245 8.969 -29.720 1.00 0.00 H new ATOM 0 HE21 GLN A 11 6.296 7.379 -30.482 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.338 8.182 -31.661 1.00 0.00 H new ATOM 177 N ASN A 12 2.909 13.042 -27.768 1.00 0.00 N ATOM 178 CA ASN A 12 2.811 14.271 -26.988 1.00 0.00 C ATOM 179 C ASN A 12 4.193 14.700 -26.456 1.00 0.00 C ATOM 180 O ASN A 12 5.039 13.864 -26.125 1.00 0.00 O ATOM 181 CB ASN A 12 1.754 14.116 -25.878 1.00 0.00 C ATOM 182 CG ASN A 12 1.905 12.863 -25.013 1.00 0.00 C ATOM 183 OD1 ASN A 12 1.037 11.999 -24.993 1.00 0.00 O ATOM 184 ND2 ASN A 12 2.999 12.705 -24.290 1.00 0.00 N ATOM 0 H ASN A 12 2.480 12.232 -27.321 1.00 0.00 H new ATOM 0 HA ASN A 12 2.473 15.081 -27.635 1.00 0.00 H new ATOM 0 HB2 ASN A 12 1.796 14.993 -25.232 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.765 14.106 -26.337 1.00 0.00 H new ATOM 0 HD21 ASN A 12 3.117 11.868 -23.720 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.726 13.420 -24.302 1.00 0.00 H new ATOM 191 N THR A 13 4.395 16.014 -26.346 1.00 0.00 N ATOM 192 CA THR A 13 5.672 16.658 -25.973 1.00 0.00 C ATOM 193 C THR A 13 5.567 17.446 -24.669 1.00 0.00 C ATOM 194 O THR A 13 6.467 17.357 -23.837 1.00 0.00 O ATOM 195 CB THR A 13 6.154 17.567 -27.111 1.00 0.00 C ATOM 196 OG1 THR A 13 5.117 18.465 -27.464 1.00 0.00 O ATOM 197 CG2 THR A 13 6.536 16.750 -28.350 1.00 0.00 C ATOM 0 H THR A 13 3.652 16.691 -26.519 1.00 0.00 H new ATOM 0 HA THR A 13 6.401 15.865 -25.808 1.00 0.00 H new ATOM 0 HB THR A 13 7.033 18.109 -26.763 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.422 19.048 -28.190 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.873 17.422 -29.139 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.338 16.057 -28.096 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.668 16.189 -28.698 1.00 0.00 H new ATOM 205 N PHE A 14 4.459 18.165 -24.458 1.00 0.00 N ATOM 206 CA PHE A 14 4.190 18.917 -23.229 1.00 0.00 C ATOM 207 C PHE A 14 3.771 17.991 -22.083 1.00 0.00 C ATOM 208 O PHE A 14 4.374 18.007 -21.011 1.00 0.00 O ATOM 209 CB PHE A 14 3.097 19.953 -23.519 1.00 0.00 C ATOM 210 CG PHE A 14 2.939 20.994 -22.427 1.00 0.00 C ATOM 211 CD1 PHE A 14 3.695 22.181 -22.473 1.00 0.00 C ATOM 212 CD2 PHE A 14 2.052 20.772 -21.354 1.00 0.00 C ATOM 213 CE1 PHE A 14 3.563 23.143 -21.455 1.00 0.00 C ATOM 214 CE2 PHE A 14 1.923 21.733 -20.335 1.00 0.00 C ATOM 215 CZ PHE A 14 2.678 22.919 -20.385 1.00 0.00 C ATOM 0 H PHE A 14 3.712 18.241 -25.148 1.00 0.00 H new ATOM 0 HA PHE A 14 5.103 19.420 -22.911 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.326 20.456 -24.458 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.147 19.437 -23.657 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.378 22.353 -23.292 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.471 19.863 -21.314 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.142 24.054 -21.495 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.244 21.560 -19.513 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.578 23.657 -19.603 1.00 0.00 H new ATOM 225 N LEU A 15 2.759 17.147 -22.334 1.00 0.00 N ATOM 226 CA LEU A 15 2.238 16.166 -21.373 1.00 0.00 C ATOM 227 C LEU A 15 3.332 15.195 -20.923 1.00 0.00 C ATOM 228 O LEU A 15 3.379 14.817 -19.758 1.00 0.00 O ATOM 229 CB LEU A 15 1.046 15.431 -22.019 1.00 0.00 C ATOM 230 CG LEU A 15 0.457 14.305 -21.143 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.176 14.837 -19.849 1.00 0.00 C ATOM 232 CD2 LEU A 15 -0.602 13.525 -21.932 1.00 0.00 C ATOM 0 H LEU A 15 2.271 17.128 -23.229 1.00 0.00 H new ATOM 0 HA LEU A 15 1.896 16.678 -20.474 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.261 16.155 -22.239 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.366 15.008 -22.971 1.00 0.00 H new ATOM 0 HG LEU A 15 1.286 13.653 -20.868 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.575 14.004 -19.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.580 15.358 -19.262 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.983 15.527 -20.096 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.012 12.733 -21.306 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.403 14.201 -22.233 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.145 13.087 -22.819 1.00 0.00 H new ATOM 244 N ASP A 16 4.258 14.851 -21.819 1.00 0.00 N ATOM 245 CA ASP A 16 5.413 13.994 -21.511 1.00 0.00 C ATOM 246 C ASP A 16 6.286 14.526 -20.365 1.00 0.00 C ATOM 247 O ASP A 16 6.845 13.739 -19.601 1.00 0.00 O ATOM 248 CB ASP A 16 6.252 13.854 -22.777 1.00 0.00 C ATOM 249 CG ASP A 16 7.218 12.663 -22.687 1.00 0.00 C ATOM 250 OD1 ASP A 16 6.762 11.509 -22.871 1.00 0.00 O ATOM 251 OD2 ASP A 16 8.426 12.883 -22.436 1.00 0.00 O ATOM 0 H ASP A 16 4.231 15.161 -22.790 1.00 0.00 H new ATOM 0 HA ASP A 16 5.030 13.031 -21.174 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.595 13.726 -23.637 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.818 14.771 -22.942 1.00 0.00 H new ATOM 256 N THR A 17 6.352 15.854 -20.212 1.00 0.00 N ATOM 257 CA THR A 17 7.058 16.528 -19.107 1.00 0.00 C ATOM 258 C THR A 17 6.243 16.462 -17.821 1.00 0.00 C ATOM 259 O THR A 17 6.811 16.337 -16.739 1.00 0.00 O ATOM 260 CB THR A 17 7.384 17.982 -19.485 1.00 0.00 C ATOM 261 OG1 THR A 17 8.165 17.967 -20.664 1.00 0.00 O ATOM 262 CG2 THR A 17 8.192 18.709 -18.405 1.00 0.00 C ATOM 0 H THR A 17 5.910 16.504 -20.862 1.00 0.00 H new ATOM 0 HA THR A 17 7.998 16.006 -18.929 1.00 0.00 H new ATOM 0 HB THR A 17 6.438 18.508 -19.613 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.383 18.886 -20.924 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.393 19.731 -18.727 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.624 18.726 -17.475 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.136 18.188 -18.244 1.00 0.00 H new ATOM 270 N ILE A 18 4.912 16.483 -17.925 1.00 0.00 N ATOM 271 CA ILE A 18 4.002 16.353 -16.771 1.00 0.00 C ATOM 272 C ILE A 18 4.018 14.918 -16.234 1.00 0.00 C ATOM 273 O ILE A 18 4.062 14.714 -15.025 1.00 0.00 O ATOM 274 CB ILE A 18 2.568 16.799 -17.146 1.00 0.00 C ATOM 275 CG1 ILE A 18 2.512 18.133 -17.927 1.00 0.00 C ATOM 276 CG2 ILE A 18 1.677 16.876 -15.893 1.00 0.00 C ATOM 277 CD1 ILE A 18 3.177 19.335 -17.246 1.00 0.00 C ATOM 0 H ILE A 18 4.427 16.591 -18.816 1.00 0.00 H new ATOM 0 HA ILE A 18 4.354 17.012 -15.978 1.00 0.00 H new ATOM 0 HB ILE A 18 2.186 16.034 -17.822 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.984 17.983 -18.898 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.467 18.378 -18.115 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.674 17.191 -16.179 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.628 15.895 -15.420 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.097 17.596 -15.191 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.078 20.215 -17.882 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.693 19.524 -16.288 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.234 19.122 -17.083 1.00 0.00 H new ATOM 289 N ILE A 19 4.067 13.919 -17.119 1.00 0.00 N ATOM 290 CA ILE A 19 4.182 12.496 -16.754 1.00 0.00 C ATOM 291 C ILE A 19 5.421 12.257 -15.882 1.00 0.00 C ATOM 292 O ILE A 19 5.306 11.610 -14.845 1.00 0.00 O ATOM 293 CB ILE A 19 4.147 11.620 -18.032 1.00 0.00 C ATOM 294 CG1 ILE A 19 2.719 11.645 -18.635 1.00 0.00 C ATOM 295 CG2 ILE A 19 4.573 10.165 -17.741 1.00 0.00 C ATOM 296 CD1 ILE A 19 2.644 11.134 -20.078 1.00 0.00 C ATOM 0 H ILE A 19 4.028 14.074 -18.126 1.00 0.00 H new ATOM 0 HA ILE A 19 3.328 12.200 -16.145 1.00 0.00 H new ATOM 0 HB ILE A 19 4.859 12.033 -18.746 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.061 11.040 -18.011 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.339 12.666 -18.602 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.535 9.584 -18.662 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.589 10.155 -17.347 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.896 9.727 -17.008 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.613 11.183 -20.428 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.274 11.753 -20.717 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.992 10.102 -20.117 1.00 0.00 H new ATOM 308 N ARG A 20 6.579 12.836 -16.220 1.00 0.00 N ATOM 309 CA ARG A 20 7.813 12.702 -15.420 1.00 0.00 C ATOM 310 C ARG A 20 7.645 13.234 -13.984 1.00 0.00 C ATOM 311 O ARG A 20 8.169 12.649 -13.036 1.00 0.00 O ATOM 312 CB ARG A 20 8.963 13.454 -16.102 1.00 0.00 C ATOM 313 CG ARG A 20 9.350 12.857 -17.465 1.00 0.00 C ATOM 314 CD ARG A 20 10.278 13.801 -18.240 1.00 0.00 C ATOM 315 NE ARG A 20 10.292 13.472 -19.677 1.00 0.00 N ATOM 316 CZ ARG A 20 11.324 13.530 -20.510 1.00 0.00 C ATOM 317 NH1 ARG A 20 12.539 13.854 -20.119 1.00 0.00 N ATOM 318 NH2 ARG A 20 11.128 13.258 -21.780 1.00 0.00 N ATOM 0 H ARG A 20 6.692 13.411 -17.055 1.00 0.00 H new ATOM 0 HA ARG A 20 8.037 11.637 -15.358 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.677 14.497 -16.237 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.834 13.444 -15.447 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.844 11.897 -17.317 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.450 12.666 -18.050 1.00 0.00 H new ATOM 0 HD2 ARG A 20 9.950 14.831 -18.103 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.289 13.732 -17.838 1.00 0.00 H new ATOM 0 HE ARG A 20 9.406 13.164 -20.078 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.718 14.074 -19.139 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.301 13.885 -20.796 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.196 13.008 -22.110 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.908 13.297 -22.436 1.00 0.00 H new ATOM 332 N LYS A 21 6.887 14.321 -13.809 1.00 0.00 N ATOM 333 CA LYS A 21 6.582 14.924 -12.501 1.00 0.00 C ATOM 334 C LYS A 21 5.561 14.088 -11.701 1.00 0.00 C ATOM 335 O LYS A 21 5.701 13.941 -10.485 1.00 0.00 O ATOM 336 CB LYS A 21 6.066 16.356 -12.734 1.00 0.00 C ATOM 337 CG LYS A 21 7.139 17.276 -13.349 1.00 0.00 C ATOM 338 CD LYS A 21 6.580 18.629 -13.813 1.00 0.00 C ATOM 339 CE LYS A 21 6.009 19.447 -12.644 1.00 0.00 C ATOM 340 NZ LYS A 21 5.602 20.816 -13.069 1.00 0.00 N ATOM 0 H LYS A 21 6.457 14.820 -14.588 1.00 0.00 H new ATOM 0 HA LYS A 21 7.491 14.949 -11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.198 16.324 -13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.731 16.777 -11.786 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.926 17.448 -12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.600 16.770 -14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.370 19.199 -14.303 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.799 18.463 -14.555 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.148 18.927 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.756 19.520 -11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.222 21.335 -12.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.428 21.322 -13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.871 20.748 -13.806 1.00 0.00 H new ATOM 354 N PHE A 22 4.570 13.500 -12.385 1.00 0.00 N ATOM 355 CA PHE A 22 3.533 12.643 -11.796 1.00 0.00 C ATOM 356 C PHE A 22 4.021 11.205 -11.530 1.00 0.00 C ATOM 357 O PHE A 22 3.469 10.538 -10.654 1.00 0.00 O ATOM 358 CB PHE A 22 2.287 12.668 -12.701 1.00 0.00 C ATOM 359 CG PHE A 22 1.337 13.826 -12.427 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.745 15.161 -12.626 1.00 0.00 C ATOM 361 CD2 PHE A 22 0.034 13.568 -11.957 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.862 16.223 -12.360 1.00 0.00 C ATOM 363 CE2 PHE A 22 -0.850 14.631 -11.692 1.00 0.00 C ATOM 364 CZ PHE A 22 -0.437 15.959 -11.895 1.00 0.00 C ATOM 0 H PHE A 22 4.465 13.611 -13.393 1.00 0.00 H new ATOM 0 HA PHE A 22 3.276 13.043 -10.815 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.609 12.716 -13.741 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.744 11.731 -12.578 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.742 15.369 -12.985 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.288 12.549 -11.799 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.183 17.243 -12.513 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.847 14.426 -11.332 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.116 16.774 -11.694 1.00 0.00 H new ATOM 374 N GLU A 23 5.074 10.742 -12.219 1.00 0.00 N ATOM 375 CA GLU A 23 5.746 9.467 -11.918 1.00 0.00 C ATOM 376 C GLU A 23 6.361 9.458 -10.505 1.00 0.00 C ATOM 377 O GLU A 23 6.379 8.418 -9.842 1.00 0.00 O ATOM 378 CB GLU A 23 6.831 9.171 -12.968 1.00 0.00 C ATOM 379 CG GLU A 23 6.274 8.561 -14.259 1.00 0.00 C ATOM 380 CD GLU A 23 5.973 7.063 -14.099 1.00 0.00 C ATOM 381 OE1 GLU A 23 6.909 6.238 -14.236 1.00 0.00 O ATOM 382 OE2 GLU A 23 4.800 6.694 -13.852 1.00 0.00 O ATOM 0 H GLU A 23 5.487 11.244 -13.005 1.00 0.00 H new ATOM 0 HA GLU A 23 4.987 8.685 -11.953 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.356 10.095 -13.208 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.565 8.489 -12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.363 9.086 -14.545 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.991 8.703 -15.067 1.00 0.00 H new ATOM 389 N GLY A 24 6.808 10.624 -10.016 1.00 0.00 N ATOM 390 CA GLY A 24 6.946 10.898 -8.580 1.00 0.00 C ATOM 391 C GLY A 24 8.104 10.174 -7.897 1.00 0.00 C ATOM 392 O GLY A 24 7.927 9.661 -6.794 1.00 0.00 O ATOM 0 H GLY A 24 7.085 11.406 -10.609 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.074 11.971 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.018 10.620 -8.081 1.00 0.00 H new ATOM 396 N GLN A 25 9.290 10.157 -8.515 1.00 0.00 N ATOM 397 CA GLN A 25 10.476 9.444 -8.006 1.00 0.00 C ATOM 398 C GLN A 25 10.933 9.882 -6.598 1.00 0.00 C ATOM 399 O GLN A 25 11.548 9.095 -5.880 1.00 0.00 O ATOM 400 CB GLN A 25 11.623 9.551 -9.030 1.00 0.00 C ATOM 401 CG GLN A 25 12.185 10.974 -9.210 1.00 0.00 C ATOM 402 CD GLN A 25 13.282 11.028 -10.279 1.00 0.00 C ATOM 403 OE1 GLN A 25 13.060 11.418 -11.420 1.00 0.00 O ATOM 404 NE2 GLN A 25 14.501 10.634 -9.965 1.00 0.00 N ATOM 0 H GLN A 25 9.460 10.644 -9.395 1.00 0.00 H new ATOM 0 HA GLN A 25 10.182 8.401 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN A 25 12.433 8.890 -8.721 1.00 0.00 H new ATOM 0 HB3 GLN A 25 11.267 9.189 -9.995 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.376 11.651 -9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 25 12.587 11.328 -8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 25 14.704 10.307 -9.021 1.00 0.00 H new ATOM 0 HE22 GLN A 25 15.241 10.657 -10.667 1.00 0.00 H new ATOM 413 N SER A 26 10.623 11.117 -6.181 1.00 0.00 N ATOM 414 CA SER A 26 10.960 11.644 -4.844 1.00 0.00 C ATOM 415 C SER A 26 9.849 11.423 -3.788 1.00 0.00 C ATOM 416 O SER A 26 10.046 11.731 -2.608 1.00 0.00 O ATOM 417 CB SER A 26 11.307 13.138 -4.981 1.00 0.00 C ATOM 418 OG SER A 26 12.034 13.641 -3.864 1.00 0.00 O ATOM 0 H SER A 26 10.126 11.789 -6.766 1.00 0.00 H new ATOM 0 HA SER A 26 11.818 11.084 -4.472 1.00 0.00 H new ATOM 0 HB2 SER A 26 11.893 13.288 -5.888 1.00 0.00 H new ATOM 0 HB3 SER A 26 10.387 13.711 -5.098 1.00 0.00 H new ATOM 0 HG SER A 26 11.658 13.274 -3.037 1.00 0.00 H new ATOM 424 N ARG A 27 8.676 10.902 -4.191 1.00 0.00 N ATOM 425 CA ARG A 27 7.559 10.546 -3.293 1.00 0.00 C ATOM 426 C ARG A 27 7.673 9.081 -2.837 1.00 0.00 C ATOM 427 O ARG A 27 8.488 8.312 -3.345 1.00 0.00 O ATOM 428 CB ARG A 27 6.192 10.795 -3.963 1.00 0.00 C ATOM 429 CG ARG A 27 5.785 12.269 -4.143 1.00 0.00 C ATOM 430 CD ARG A 27 6.655 13.066 -5.126 1.00 0.00 C ATOM 431 NE ARG A 27 5.999 14.322 -5.533 1.00 0.00 N ATOM 432 CZ ARG A 27 5.988 15.481 -4.879 1.00 0.00 C ATOM 433 NH1 ARG A 27 6.583 15.642 -3.714 1.00 0.00 N ATOM 434 NH2 ARG A 27 5.362 16.513 -5.403 1.00 0.00 N ATOM 0 H ARG A 27 8.472 10.712 -5.172 1.00 0.00 H new ATOM 0 HA ARG A 27 7.624 11.191 -2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.198 10.319 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.424 10.297 -3.371 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.750 12.306 -4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.818 12.761 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.616 13.290 -4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.859 12.459 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 27 5.495 14.300 -6.419 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.076 14.861 -3.281 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.551 16.548 -3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.891 16.420 -6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.348 17.405 -4.909 1.00 0.00 H new ATOM 448 N LYS A 28 6.828 8.676 -1.881 1.00 0.00 N ATOM 449 CA LYS A 28 6.849 7.348 -1.263 1.00 0.00 C ATOM 450 C LYS A 28 5.987 6.351 -2.055 1.00 0.00 C ATOM 451 O LYS A 28 4.852 6.660 -2.417 1.00 0.00 O ATOM 452 CB LYS A 28 6.347 7.442 0.195 1.00 0.00 C ATOM 453 CG LYS A 28 6.970 8.574 1.035 1.00 0.00 C ATOM 454 CD LYS A 28 6.044 9.804 1.130 1.00 0.00 C ATOM 455 CE LYS A 28 6.816 10.969 1.758 1.00 0.00 C ATOM 456 NZ LYS A 28 5.999 12.211 1.868 1.00 0.00 N ATOM 0 H LYS A 28 6.094 9.278 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 28 7.876 6.984 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.265 7.575 0.181 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.545 6.492 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.185 8.204 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.922 8.871 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.686 10.082 0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.166 9.568 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.161 10.677 2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.704 11.175 1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.620 13.042 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.301 12.237 1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.505 12.222 2.783 1.00 0.00 H new ATOM 470 N PHE A 29 6.491 5.133 -2.263 1.00 0.00 N ATOM 471 CA PHE A 29 5.786 4.052 -2.961 1.00 0.00 C ATOM 472 C PHE A 29 6.398 2.665 -2.720 1.00 0.00 C ATOM 473 O PHE A 29 7.526 2.540 -2.249 1.00 0.00 O ATOM 474 CB PHE A 29 5.703 4.365 -4.469 1.00 0.00 C ATOM 475 CG PHE A 29 7.047 4.507 -5.161 1.00 0.00 C ATOM 476 CD1 PHE A 29 7.736 3.366 -5.622 1.00 0.00 C ATOM 477 CD2 PHE A 29 7.619 5.784 -5.331 1.00 0.00 C ATOM 478 CE1 PHE A 29 8.996 3.502 -6.232 1.00 0.00 C ATOM 479 CE2 PHE A 29 8.879 5.916 -5.940 1.00 0.00 C ATOM 480 CZ PHE A 29 9.570 4.777 -6.390 1.00 0.00 C ATOM 0 H PHE A 29 7.422 4.863 -1.944 1.00 0.00 H new ATOM 0 HA PHE A 29 4.781 4.008 -2.541 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.138 3.573 -4.960 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.140 5.289 -4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.296 2.387 -5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 29 7.089 6.662 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.524 2.626 -6.580 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.318 6.895 -6.063 1.00 0.00 H new ATOM 0 HZ PHE A 29 10.539 4.881 -6.856 1.00 0.00 H new ATOM 490 N ILE A 30 5.659 1.623 -3.100 1.00 0.00 N ATOM 491 CA ILE A 30 6.075 0.210 -3.116 1.00 0.00 C ATOM 492 C ILE A 30 5.435 -0.509 -4.313 1.00 0.00 C ATOM 493 O ILE A 30 4.369 -0.106 -4.768 1.00 0.00 O ATOM 494 CB ILE A 30 5.725 -0.489 -1.778 1.00 0.00 C ATOM 495 CG1 ILE A 30 4.219 -0.399 -1.456 1.00 0.00 C ATOM 496 CG2 ILE A 30 6.540 0.091 -0.615 1.00 0.00 C ATOM 497 CD1 ILE A 30 3.821 -1.066 -0.139 1.00 0.00 C ATOM 0 H ILE A 30 4.699 1.743 -3.424 1.00 0.00 H new ATOM 0 HA ILE A 30 7.158 0.163 -3.227 1.00 0.00 H new ATOM 0 HB ILE A 30 5.985 -1.541 -1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.928 0.651 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.657 -0.859 -2.268 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.271 -0.421 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.603 -0.049 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.326 1.155 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.747 -0.958 0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.078 -2.125 -0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.354 -0.591 0.685 1.00 0.00 H new ATOM 509 N ILE A 31 6.070 -1.557 -4.839 1.00 0.00 N ATOM 510 CA ILE A 31 5.611 -2.343 -5.994 1.00 0.00 C ATOM 511 C ILE A 31 5.359 -3.782 -5.548 1.00 0.00 C ATOM 512 O ILE A 31 6.216 -4.383 -4.898 1.00 0.00 O ATOM 513 CB ILE A 31 6.659 -2.333 -7.135 1.00 0.00 C ATOM 514 CG1 ILE A 31 7.206 -0.907 -7.392 1.00 0.00 C ATOM 515 CG2 ILE A 31 6.050 -2.971 -8.406 1.00 0.00 C ATOM 516 CD1 ILE A 31 8.163 -0.784 -8.583 1.00 0.00 C ATOM 0 H ILE A 31 6.953 -1.898 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 31 4.693 -1.896 -6.374 1.00 0.00 H new ATOM 0 HB ILE A 31 7.517 -2.934 -6.834 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.363 -0.234 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.721 -0.565 -6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.789 -2.963 -9.207 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.758 -3.999 -8.193 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.174 -2.401 -8.715 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.491 0.251 -8.681 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.029 -1.425 -8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.650 -1.090 -9.495 1.00 0.00 H new ATOM 528 N ALA A 32 4.225 -4.352 -5.943 1.00 0.00 N ATOM 529 CA ALA A 32 3.838 -5.722 -5.627 1.00 0.00 C ATOM 530 C ALA A 32 3.286 -6.468 -6.847 1.00 0.00 C ATOM 531 O ALA A 32 2.718 -5.866 -7.760 1.00 0.00 O ATOM 532 CB ALA A 32 2.822 -5.650 -4.493 1.00 0.00 C ATOM 0 H ALA A 32 3.532 -3.860 -6.507 1.00 0.00 H new ATOM 0 HA ALA A 32 4.712 -6.296 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.505 -6.658 -4.224 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.277 -5.170 -3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.957 -5.071 -4.816 1.00 0.00 H new ATOM 538 N ASN A 33 3.440 -7.794 -6.852 1.00 0.00 N ATOM 539 CA ASN A 33 2.936 -8.658 -7.920 1.00 0.00 C ATOM 540 C ASN A 33 1.409 -8.830 -7.834 1.00 0.00 C ATOM 541 O ASN A 33 0.897 -9.457 -6.907 1.00 0.00 O ATOM 542 CB ASN A 33 3.664 -10.021 -7.870 1.00 0.00 C ATOM 543 CG ASN A 33 4.877 -10.129 -8.796 1.00 0.00 C ATOM 544 OD1 ASN A 33 4.998 -9.445 -9.804 1.00 0.00 O ATOM 545 ND2 ASN A 33 5.795 -11.033 -8.499 1.00 0.00 N ATOM 0 H ASN A 33 3.921 -8.301 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 33 3.144 -8.185 -8.880 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.987 -10.208 -6.846 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.954 -10.807 -8.129 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.602 -11.160 -9.109 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.696 -11.604 -7.660 1.00 0.00 H new ATOM 552 N ALA A 34 0.687 -8.387 -8.871 1.00 0.00 N ATOM 553 CA ALA A 34 -0.753 -8.653 -9.045 1.00 0.00 C ATOM 554 C ALA A 34 -1.047 -10.151 -9.287 1.00 0.00 C ATOM 555 O ALA A 34 -2.155 -10.626 -9.040 1.00 0.00 O ATOM 556 CB ALA A 34 -1.260 -7.795 -10.215 1.00 0.00 C ATOM 0 H ALA A 34 1.088 -7.827 -9.623 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.277 -8.388 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.325 -7.975 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.098 -6.741 -9.990 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.717 -8.060 -11.122 1.00 0.00 H new ATOM 562 N ARG A 35 -0.021 -10.904 -9.719 1.00 0.00 N ATOM 563 CA ARG A 35 -0.049 -12.346 -10.019 1.00 0.00 C ATOM 564 C ARG A 35 -0.273 -13.272 -8.800 1.00 0.00 C ATOM 565 O ARG A 35 -0.510 -14.464 -8.992 1.00 0.00 O ATOM 566 CB ARG A 35 1.258 -12.724 -10.738 1.00 0.00 C ATOM 567 CG ARG A 35 1.366 -12.031 -12.109 1.00 0.00 C ATOM 568 CD ARG A 35 2.683 -12.357 -12.819 1.00 0.00 C ATOM 569 NE ARG A 35 2.840 -13.795 -13.112 1.00 0.00 N ATOM 570 CZ ARG A 35 2.344 -14.469 -14.147 1.00 0.00 C ATOM 571 NH1 ARG A 35 1.584 -13.900 -15.061 1.00 0.00 N ATOM 572 NH2 ARG A 35 2.614 -15.749 -14.276 1.00 0.00 N ATOM 0 H ARG A 35 0.902 -10.500 -9.877 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.922 -12.508 -10.651 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.110 -12.443 -10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.303 -13.805 -10.871 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.530 -12.340 -12.737 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.284 -10.952 -11.977 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.736 -11.794 -13.751 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.516 -12.025 -12.199 1.00 0.00 H new ATOM 0 HE ARG A 35 3.392 -14.334 -12.445 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.357 -12.908 -14.990 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.223 -14.451 -15.840 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.200 -16.219 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.238 -16.272 -15.066 1.00 0.00 H new ATOM 586 N VAL A 36 -0.184 -12.758 -7.564 1.00 0.00 N ATOM 587 CA VAL A 36 -0.353 -13.520 -6.304 1.00 0.00 C ATOM 588 C VAL A 36 -1.436 -12.888 -5.420 1.00 0.00 C ATOM 589 O VAL A 36 -1.541 -11.666 -5.347 1.00 0.00 O ATOM 590 CB VAL A 36 0.978 -13.680 -5.524 1.00 0.00 C ATOM 591 CG1 VAL A 36 1.954 -14.582 -6.298 1.00 0.00 C ATOM 592 CG2 VAL A 36 1.681 -12.354 -5.187 1.00 0.00 C ATOM 0 H VAL A 36 0.013 -11.771 -7.402 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.677 -14.523 -6.583 1.00 0.00 H new ATOM 0 HB VAL A 36 0.697 -14.137 -4.575 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.882 -14.682 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.507 -15.566 -6.438 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.166 -14.138 -7.271 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.602 -12.559 -4.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.915 -11.822 -6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.024 -11.740 -4.571 1.00 0.00 H new ATOM 602 N GLU A 37 -2.233 -13.725 -4.744 1.00 0.00 N ATOM 603 CA GLU A 37 -3.441 -13.319 -4.002 1.00 0.00 C ATOM 604 C GLU A 37 -3.138 -12.334 -2.855 1.00 0.00 C ATOM 605 O GLU A 37 -3.856 -11.353 -2.659 1.00 0.00 O ATOM 606 CB GLU A 37 -4.125 -14.589 -3.464 1.00 0.00 C ATOM 607 CG GLU A 37 -5.486 -14.316 -2.812 1.00 0.00 C ATOM 608 CD GLU A 37 -6.160 -15.627 -2.386 1.00 0.00 C ATOM 609 OE1 GLU A 37 -5.907 -16.106 -1.254 1.00 0.00 O ATOM 610 OE2 GLU A 37 -6.954 -16.192 -3.176 1.00 0.00 O ATOM 0 H GLU A 37 -2.055 -14.728 -4.694 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.102 -12.785 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.258 -15.296 -4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.470 -15.065 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.355 -13.670 -1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.129 -13.782 -3.512 1.00 0.00 H new ATOM 617 N ASN A 38 -2.042 -12.569 -2.126 1.00 0.00 N ATOM 618 CA ASN A 38 -1.567 -11.705 -1.035 1.00 0.00 C ATOM 619 C ASN A 38 -0.959 -10.365 -1.511 1.00 0.00 C ATOM 620 O ASN A 38 -0.761 -9.469 -0.691 1.00 0.00 O ATOM 621 CB ASN A 38 -0.559 -12.501 -0.182 1.00 0.00 C ATOM 622 CG ASN A 38 0.585 -13.094 -1.006 1.00 0.00 C ATOM 623 OD1 ASN A 38 1.301 -12.394 -1.708 1.00 0.00 O ATOM 624 ND2 ASN A 38 0.749 -14.404 -0.997 1.00 0.00 N ATOM 0 H ASN A 38 -1.446 -13.382 -2.280 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.435 -11.420 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -0.145 -11.847 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -1.083 -13.306 0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.472 -14.831 -1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.152 -14.989 -0.412 1.00 0.00 H new ATOM 631 N CYS A 39 -0.641 -10.226 -2.808 1.00 0.00 N ATOM 632 CA CYS A 39 0.059 -9.077 -3.402 1.00 0.00 C ATOM 633 C CYS A 39 1.358 -8.738 -2.632 1.00 0.00 C ATOM 634 O CYS A 39 1.476 -7.676 -2.026 1.00 0.00 O ATOM 635 CB CYS A 39 -0.941 -7.913 -3.531 1.00 0.00 C ATOM 636 SG CYS A 39 -0.391 -6.748 -4.807 1.00 0.00 S ATOM 0 H CYS A 39 -0.874 -10.940 -3.498 1.00 0.00 H new ATOM 0 HA CYS A 39 0.410 -9.315 -4.406 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.928 -8.299 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.035 -7.398 -2.575 1.00 0.00 H new ATOM 0 HG CYS A 39 0.161 -7.404 -5.784 1.00 0.00 H new ATOM 642 N ALA A 40 2.317 -9.667 -2.583 1.00 0.00 N ATOM 643 CA ALA A 40 3.589 -9.478 -1.875 1.00 0.00 C ATOM 644 C ALA A 40 4.434 -8.339 -2.484 1.00 0.00 C ATOM 645 O ALA A 40 4.598 -8.292 -3.705 1.00 0.00 O ATOM 646 CB ALA A 40 4.361 -10.806 -1.875 1.00 0.00 C ATOM 0 H ALA A 40 2.233 -10.577 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 40 3.374 -9.179 -0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.308 -10.676 -1.351 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.770 -11.571 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.554 -11.115 -2.902 1.00 0.00 H new ATOM 652 N VAL A 41 5.006 -7.459 -1.647 1.00 0.00 N ATOM 653 CA VAL A 41 5.943 -6.403 -2.100 1.00 0.00 C ATOM 654 C VAL A 41 7.204 -7.042 -2.688 1.00 0.00 C ATOM 655 O VAL A 41 7.899 -7.796 -2.005 1.00 0.00 O ATOM 656 CB VAL A 41 6.345 -5.384 -0.998 1.00 0.00 C ATOM 657 CG1 VAL A 41 7.218 -4.254 -1.553 1.00 0.00 C ATOM 658 CG2 VAL A 41 5.093 -4.747 -0.370 1.00 0.00 C ATOM 0 H VAL A 41 4.837 -7.454 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 41 5.403 -5.834 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 41 6.910 -5.942 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.476 -3.565 -0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.130 -4.674 -1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.670 -3.718 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.394 -4.036 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.523 -4.228 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.474 -5.525 0.077 1.00 0.00 H new ATOM 668 N ILE A 42 7.496 -6.707 -3.946 1.00 0.00 N ATOM 669 CA ILE A 42 8.706 -7.121 -4.682 1.00 0.00 C ATOM 670 C ILE A 42 9.761 -6.011 -4.744 1.00 0.00 C ATOM 671 O ILE A 42 10.943 -6.301 -4.937 1.00 0.00 O ATOM 672 CB ILE A 42 8.353 -7.602 -6.109 1.00 0.00 C ATOM 673 CG1 ILE A 42 7.626 -6.529 -6.954 1.00 0.00 C ATOM 674 CG2 ILE A 42 7.536 -8.900 -6.025 1.00 0.00 C ATOM 675 CD1 ILE A 42 7.422 -6.920 -8.419 1.00 0.00 C ATOM 0 H ILE A 42 6.878 -6.119 -4.506 1.00 0.00 H new ATOM 0 HA ILE A 42 9.138 -7.953 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 42 9.290 -7.795 -6.631 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.654 -6.325 -6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.197 -5.601 -6.913 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.287 -9.239 -7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.122 -9.667 -5.518 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.618 -8.717 -5.466 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.906 -6.115 -8.942 1.00 0.00 H new ATOM 0 HD12 ILE A 42 8.391 -7.094 -8.887 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.824 -7.830 -8.473 1.00 0.00 H new ATOM 687 N TYR A 43 9.351 -4.752 -4.560 1.00 0.00 N ATOM 688 CA TYR A 43 10.235 -3.587 -4.575 1.00 0.00 C ATOM 689 C TYR A 43 9.687 -2.445 -3.712 1.00 0.00 C ATOM 690 O TYR A 43 8.484 -2.204 -3.683 1.00 0.00 O ATOM 691 CB TYR A 43 10.433 -3.108 -6.022 1.00 0.00 C ATOM 692 CG TYR A 43 11.665 -2.241 -6.194 1.00 0.00 C ATOM 693 CD1 TYR A 43 12.938 -2.838 -6.275 1.00 0.00 C ATOM 694 CD2 TYR A 43 11.545 -0.836 -6.209 1.00 0.00 C ATOM 695 CE1 TYR A 43 14.091 -2.037 -6.372 1.00 0.00 C ATOM 696 CE2 TYR A 43 12.696 -0.031 -6.303 1.00 0.00 C ATOM 697 CZ TYR A 43 13.974 -0.628 -6.384 1.00 0.00 C ATOM 698 OH TYR A 43 15.086 0.157 -6.464 1.00 0.00 O ATOM 0 H TYR A 43 8.374 -4.512 -4.393 1.00 0.00 H new ATOM 0 HA TYR A 43 11.194 -3.886 -4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 43 10.510 -3.975 -6.679 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.553 -2.547 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.030 -3.914 -6.263 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.569 -0.377 -6.148 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.065 -2.499 -6.437 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.602 1.045 -6.313 1.00 0.00 H new ATOM 0 HH TYR A 43 14.821 1.101 -6.462 1.00 0.00 H new ATOM 708 N CYS A 44 10.565 -1.703 -3.044 1.00 0.00 N ATOM 709 CA CYS A 44 10.197 -0.583 -2.166 1.00 0.00 C ATOM 710 C CYS A 44 10.962 0.708 -2.503 1.00 0.00 C ATOM 711 O CYS A 44 12.084 0.639 -3.001 1.00 0.00 O ATOM 712 CB CYS A 44 10.424 -0.976 -0.692 1.00 0.00 C ATOM 713 SG CYS A 44 10.042 -2.715 -0.317 1.00 0.00 S ATOM 0 H CYS A 44 11.571 -1.861 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 44 9.140 -0.374 -2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 44 11.464 -0.780 -0.431 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.810 -0.336 -0.058 1.00 0.00 H new ATOM 0 HG CYS A 44 10.266 -2.947 0.942 1.00 0.00 H new ATOM 719 N ASN A 45 10.402 1.872 -2.168 1.00 0.00 N ATOM 720 CA ASN A 45 11.135 3.153 -2.178 1.00 0.00 C ATOM 721 C ASN A 45 12.121 3.254 -0.980 1.00 0.00 C ATOM 722 O ASN A 45 12.267 2.312 -0.202 1.00 0.00 O ATOM 723 CB ASN A 45 10.077 4.281 -2.207 1.00 0.00 C ATOM 724 CG ASN A 45 10.582 5.698 -2.425 1.00 0.00 C ATOM 725 OD1 ASN A 45 10.298 6.574 -1.630 1.00 0.00 O ATOM 726 ND2 ASN A 45 11.359 5.959 -3.452 1.00 0.00 N ATOM 0 H ASN A 45 9.427 1.960 -1.881 1.00 0.00 H new ATOM 0 HA ASN A 45 11.770 3.239 -3.060 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.360 4.052 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.531 4.258 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.728 6.900 -3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.593 5.220 -4.115 1.00 0.00 H new ATOM 733 N ASP A 46 12.770 4.409 -0.791 1.00 0.00 N ATOM 734 CA ASP A 46 13.513 4.764 0.440 1.00 0.00 C ATOM 735 C ASP A 46 12.791 5.833 1.287 1.00 0.00 C ATOM 736 O ASP A 46 13.057 5.976 2.479 1.00 0.00 O ATOM 737 CB ASP A 46 14.909 5.275 0.065 1.00 0.00 C ATOM 738 CG ASP A 46 15.779 4.187 -0.584 1.00 0.00 C ATOM 739 OD1 ASP A 46 16.356 3.357 0.159 1.00 0.00 O ATOM 740 OD2 ASP A 46 15.903 4.178 -1.833 1.00 0.00 O ATOM 0 H ASP A 46 12.798 5.143 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 46 13.581 3.860 1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.812 6.116 -0.622 1.00 0.00 H new ATOM 0 HB3 ASP A 46 15.408 5.649 0.959 1.00 0.00 H new ATOM 745 N GLY A 47 11.843 6.559 0.686 1.00 0.00 N ATOM 746 CA GLY A 47 10.992 7.561 1.332 1.00 0.00 C ATOM 747 C GLY A 47 9.917 6.940 2.213 1.00 0.00 C ATOM 748 O GLY A 47 9.637 7.444 3.300 1.00 0.00 O ATOM 0 H GLY A 47 11.640 6.459 -0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.612 8.224 1.936 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.518 8.177 0.567 1.00 0.00 H new ATOM 752 N PHE A 48 9.329 5.822 1.764 1.00 0.00 N ATOM 753 CA PHE A 48 8.284 5.109 2.508 1.00 0.00 C ATOM 754 C PHE A 48 8.820 4.581 3.862 1.00 0.00 C ATOM 755 O PHE A 48 8.107 4.642 4.861 1.00 0.00 O ATOM 756 CB PHE A 48 7.645 4.021 1.614 1.00 0.00 C ATOM 757 CG PHE A 48 8.197 2.628 1.802 1.00 0.00 C ATOM 758 CD1 PHE A 48 9.541 2.344 1.503 1.00 0.00 C ATOM 759 CD2 PHE A 48 7.389 1.635 2.377 1.00 0.00 C ATOM 760 CE1 PHE A 48 10.091 1.102 1.858 1.00 0.00 C ATOM 761 CE2 PHE A 48 7.939 0.391 2.713 1.00 0.00 C ATOM 762 CZ PHE A 48 9.296 0.126 2.476 1.00 0.00 C ATOM 0 H PHE A 48 9.566 5.387 0.873 1.00 0.00 H new ATOM 0 HA PHE A 48 7.484 5.802 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 48 6.572 3.999 1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 48 7.775 4.308 0.571 1.00 0.00 H new ATOM 0 HD1 PHE A 48 10.150 3.081 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.343 1.830 2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.132 0.897 1.654 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.314 -0.369 3.158 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.725 -0.822 2.767 1.00 0.00 H new ATOM 772 N CYS A 49 10.101 4.169 3.921 1.00 0.00 N ATOM 773 CA CYS A 49 10.838 3.816 5.142 1.00 0.00 C ATOM 774 C CYS A 49 10.675 4.880 6.239 1.00 0.00 C ATOM 775 O CYS A 49 10.201 4.582 7.332 1.00 0.00 O ATOM 776 CB CYS A 49 12.328 3.624 4.800 1.00 0.00 C ATOM 777 SG CYS A 49 12.584 2.286 3.606 1.00 0.00 S ATOM 0 H CYS A 49 10.672 4.070 3.081 1.00 0.00 H new ATOM 0 HA CYS A 49 10.424 2.886 5.532 1.00 0.00 H new ATOM 0 HB2 CYS A 49 12.729 4.553 4.395 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.884 3.407 5.712 1.00 0.00 H new ATOM 0 HG CYS A 49 11.517 2.145 2.877 1.00 0.00 H new ATOM 783 N GLU A 50 11.020 6.131 5.923 1.00 0.00 N ATOM 784 CA GLU A 50 10.965 7.255 6.870 1.00 0.00 C ATOM 785 C GLU A 50 9.530 7.694 7.223 1.00 0.00 C ATOM 786 O GLU A 50 9.319 8.332 8.257 1.00 0.00 O ATOM 787 CB GLU A 50 11.749 8.448 6.303 1.00 0.00 C ATOM 788 CG GLU A 50 13.233 8.116 6.121 1.00 0.00 C ATOM 789 CD GLU A 50 14.046 9.379 5.801 1.00 0.00 C ATOM 790 OE1 GLU A 50 14.082 9.804 4.621 1.00 0.00 O ATOM 791 OE2 GLU A 50 14.661 9.959 6.728 1.00 0.00 O ATOM 0 H GLU A 50 11.349 6.398 4.995 1.00 0.00 H new ATOM 0 HA GLU A 50 11.418 6.904 7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.322 8.742 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.647 9.302 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.619 7.651 7.028 1.00 0.00 H new ATOM 0 HG3 GLU A 50 13.351 7.390 5.316 1.00 0.00 H new ATOM 798 N LEU A 51 8.543 7.340 6.388 1.00 0.00 N ATOM 799 CA LEU A 51 7.121 7.635 6.604 1.00 0.00 C ATOM 800 C LEU A 51 6.582 6.922 7.862 1.00 0.00 C ATOM 801 O LEU A 51 5.958 7.559 8.713 1.00 0.00 O ATOM 802 CB LEU A 51 6.329 7.228 5.335 1.00 0.00 C ATOM 803 CG LEU A 51 5.312 8.248 4.789 1.00 0.00 C ATOM 804 CD1 LEU A 51 4.444 7.558 3.725 1.00 0.00 C ATOM 805 CD2 LEU A 51 4.396 8.864 5.849 1.00 0.00 C ATOM 0 H LEU A 51 8.716 6.828 5.523 1.00 0.00 H new ATOM 0 HA LEU A 51 6.996 8.704 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.046 7.008 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.797 6.301 5.550 1.00 0.00 H new ATOM 0 HG LEU A 51 5.896 9.071 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.719 8.269 3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.079 7.199 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.918 6.716 4.175 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.714 9.569 5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.822 8.076 6.336 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.999 9.386 6.592 1.00 0.00 H new ATOM 817 N CYS A 52 6.841 5.610 7.986 1.00 0.00 N ATOM 818 CA CYS A 52 6.347 4.759 9.087 1.00 0.00 C ATOM 819 C CYS A 52 7.428 4.339 10.105 1.00 0.00 C ATOM 820 O CYS A 52 7.088 3.994 11.237 1.00 0.00 O ATOM 821 CB CYS A 52 5.661 3.527 8.472 1.00 0.00 C ATOM 822 SG CYS A 52 4.205 4.034 7.509 1.00 0.00 S ATOM 0 H CYS A 52 7.411 5.099 7.312 1.00 0.00 H new ATOM 0 HA CYS A 52 5.642 5.353 9.668 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.362 2.994 7.831 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.362 2.837 9.261 1.00 0.00 H new ATOM 0 HG CYS A 52 3.638 2.984 6.994 1.00 0.00 H new ATOM 828 N GLY A 53 8.713 4.363 9.738 1.00 0.00 N ATOM 829 CA GLY A 53 9.854 4.025 10.604 1.00 0.00 C ATOM 830 C GLY A 53 10.393 2.602 10.413 1.00 0.00 C ATOM 831 O GLY A 53 11.347 2.222 11.091 1.00 0.00 O ATOM 0 H GLY A 53 9.001 4.628 8.796 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.660 4.734 10.416 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.555 4.151 11.645 1.00 0.00 H new ATOM 835 N TYR A 54 9.799 1.810 9.514 1.00 0.00 N ATOM 836 CA TYR A 54 10.317 0.506 9.081 1.00 0.00 C ATOM 837 C TYR A 54 11.391 0.628 7.970 1.00 0.00 C ATOM 838 O TYR A 54 11.832 1.726 7.633 1.00 0.00 O ATOM 839 CB TYR A 54 9.118 -0.398 8.721 1.00 0.00 C ATOM 840 CG TYR A 54 8.065 0.104 7.737 1.00 0.00 C ATOM 841 CD1 TYR A 54 8.352 1.055 6.739 1.00 0.00 C ATOM 842 CD2 TYR A 54 6.763 -0.430 7.820 1.00 0.00 C ATOM 843 CE1 TYR A 54 7.349 1.481 5.849 1.00 0.00 C ATOM 844 CE2 TYR A 54 5.761 -0.026 6.917 1.00 0.00 C ATOM 845 CZ TYR A 54 6.046 0.942 5.933 1.00 0.00 C ATOM 846 OH TYR A 54 5.067 1.351 5.078 1.00 0.00 O ATOM 0 H TYR A 54 8.924 2.063 9.056 1.00 0.00 H new ATOM 0 HA TYR A 54 10.861 0.031 9.897 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.520 -1.329 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.605 -0.645 9.650 1.00 0.00 H new ATOM 0 HD1 TYR A 54 9.350 1.460 6.656 1.00 0.00 H new ATOM 0 HD2 TYR A 54 6.532 -1.157 8.585 1.00 0.00 H new ATOM 0 HE1 TYR A 54 7.576 2.223 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.773 -0.458 6.978 1.00 0.00 H new ATOM 0 HH TYR A 54 4.316 0.722 5.116 1.00 0.00 H new ATOM 856 N SER A 55 11.807 -0.496 7.378 1.00 0.00 N ATOM 857 CA SER A 55 12.801 -0.546 6.288 1.00 0.00 C ATOM 858 C SER A 55 12.421 -1.598 5.233 1.00 0.00 C ATOM 859 O SER A 55 11.654 -2.525 5.524 1.00 0.00 O ATOM 860 CB SER A 55 14.197 -0.874 6.854 1.00 0.00 C ATOM 861 OG SER A 55 14.695 0.148 7.712 1.00 0.00 O ATOM 0 H SER A 55 11.459 -1.417 7.644 1.00 0.00 H new ATOM 0 HA SER A 55 12.818 0.434 5.812 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.150 -1.814 7.404 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.894 -1.022 6.029 1.00 0.00 H new ATOM 0 HG SER A 55 15.580 -0.108 8.046 1.00 0.00 H new ATOM 867 N ARG A 56 13.014 -1.515 4.030 1.00 0.00 N ATOM 868 CA ARG A 56 12.821 -2.490 2.939 1.00 0.00 C ATOM 869 C ARG A 56 12.928 -3.939 3.436 1.00 0.00 C ATOM 870 O ARG A 56 12.007 -4.711 3.212 1.00 0.00 O ATOM 871 CB ARG A 56 13.812 -2.196 1.788 1.00 0.00 C ATOM 872 CG ARG A 56 13.763 -3.272 0.684 1.00 0.00 C ATOM 873 CD ARG A 56 14.747 -3.043 -0.465 1.00 0.00 C ATOM 874 NE ARG A 56 14.325 -1.952 -1.365 1.00 0.00 N ATOM 875 CZ ARG A 56 15.158 -1.225 -2.115 1.00 0.00 C ATOM 876 NH1 ARG A 56 16.459 -1.433 -2.115 1.00 0.00 N ATOM 877 NH2 ARG A 56 14.712 -0.268 -2.894 1.00 0.00 N ATOM 0 H ARG A 56 13.651 -0.758 3.783 1.00 0.00 H new ATOM 0 HA ARG A 56 11.807 -2.378 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.583 -1.223 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 56 14.824 -2.136 2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 56 13.966 -4.245 1.132 1.00 0.00 H new ATOM 0 HG3 ARG A 56 12.752 -3.313 0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.730 -2.811 -0.056 1.00 0.00 H new ATOM 0 HD3 ARG A 56 14.850 -3.964 -1.039 1.00 0.00 H new ATOM 0 HE ARG A 56 13.329 -1.738 -1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 56 16.858 -2.167 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 56 17.067 -0.860 -2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 56 13.713 -0.068 -2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.365 0.276 -3.459 1.00 0.00 H new ATOM 891 N ALA A 57 13.973 -4.296 4.187 1.00 0.00 N ATOM 892 CA ALA A 57 14.174 -5.660 4.705 1.00 0.00 C ATOM 893 C ALA A 57 13.014 -6.185 5.586 1.00 0.00 C ATOM 894 O ALA A 57 12.811 -7.397 5.667 1.00 0.00 O ATOM 895 CB ALA A 57 15.505 -5.678 5.468 1.00 0.00 C ATOM 0 H ALA A 57 14.711 -3.645 4.457 1.00 0.00 H new ATOM 0 HA ALA A 57 14.196 -6.343 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 57 15.683 -6.677 5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 57 16.316 -5.406 4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 57 15.463 -4.963 6.290 1.00 0.00 H new ATOM 901 N GLU A 58 12.239 -5.288 6.209 1.00 0.00 N ATOM 902 CA GLU A 58 11.076 -5.621 7.042 1.00 0.00 C ATOM 903 C GLU A 58 9.787 -5.699 6.211 1.00 0.00 C ATOM 904 O GLU A 58 8.951 -6.571 6.463 1.00 0.00 O ATOM 905 CB GLU A 58 10.885 -4.559 8.139 1.00 0.00 C ATOM 906 CG GLU A 58 12.172 -4.192 8.883 1.00 0.00 C ATOM 907 CD GLU A 58 12.782 -5.387 9.632 1.00 0.00 C ATOM 908 OE1 GLU A 58 12.161 -5.879 10.604 1.00 0.00 O ATOM 909 OE2 GLU A 58 13.899 -5.829 9.271 1.00 0.00 O ATOM 0 H GLU A 58 12.408 -4.284 6.146 1.00 0.00 H new ATOM 0 HA GLU A 58 11.269 -6.597 7.487 1.00 0.00 H new ATOM 0 HB2 GLU A 58 10.468 -3.658 7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.153 -4.924 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.901 -3.803 8.171 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.962 -3.392 9.593 1.00 0.00 H new ATOM 916 N VAL A 59 9.623 -4.789 5.237 1.00 0.00 N ATOM 917 CA VAL A 59 8.411 -4.683 4.397 1.00 0.00 C ATOM 918 C VAL A 59 8.486 -5.573 3.134 1.00 0.00 C ATOM 919 O VAL A 59 7.466 -5.836 2.497 1.00 0.00 O ATOM 920 CB VAL A 59 8.050 -3.207 4.078 1.00 0.00 C ATOM 921 CG1 VAL A 59 6.670 -3.122 3.394 1.00 0.00 C ATOM 922 CG2 VAL A 59 8.006 -2.374 5.371 1.00 0.00 C ATOM 0 H VAL A 59 10.335 -4.096 5.005 1.00 0.00 H new ATOM 0 HA VAL A 59 7.584 -5.078 4.987 1.00 0.00 H new ATOM 0 HB VAL A 59 8.816 -2.814 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.434 -2.080 3.178 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.689 -3.690 2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.910 -3.536 4.056 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.752 -1.342 5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.254 -2.786 6.044 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.982 -2.404 5.856 1.00 0.00 H new ATOM 932 N MET A 60 9.660 -6.118 2.791 1.00 0.00 N ATOM 933 CA MET A 60 9.778 -7.165 1.759 1.00 0.00 C ATOM 934 C MET A 60 9.051 -8.452 2.184 1.00 0.00 C ATOM 935 O MET A 60 9.091 -8.846 3.350 1.00 0.00 O ATOM 936 CB MET A 60 11.248 -7.464 1.417 1.00 0.00 C ATOM 937 CG MET A 60 11.805 -6.435 0.427 1.00 0.00 C ATOM 938 SD MET A 60 13.501 -6.764 -0.127 1.00 0.00 S ATOM 939 CE MET A 60 13.205 -8.141 -1.265 1.00 0.00 C ATOM 0 H MET A 60 10.549 -5.851 3.214 1.00 0.00 H new ATOM 0 HA MET A 60 9.297 -6.782 0.859 1.00 0.00 H new ATOM 0 HB2 MET A 60 11.845 -7.456 2.329 1.00 0.00 H new ATOM 0 HB3 MET A 60 11.329 -8.464 0.991 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.152 -6.399 -0.445 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.773 -5.449 0.891 1.00 0.00 H new ATOM 0 HE1 MET A 60 13.862 -8.972 -1.009 1.00 0.00 H new ATOM 0 HE2 MET A 60 12.166 -8.462 -1.186 1.00 0.00 H new ATOM 0 HE3 MET A 60 13.408 -7.819 -2.286 1.00 0.00 H new ATOM 949 N GLN A 61 8.361 -9.082 1.222 1.00 0.00 N ATOM 950 CA GLN A 61 7.534 -10.295 1.390 1.00 0.00 C ATOM 951 C GLN A 61 6.242 -10.064 2.208 1.00 0.00 C ATOM 952 O GLN A 61 5.493 -11.003 2.482 1.00 0.00 O ATOM 953 CB GLN A 61 8.406 -11.470 1.886 1.00 0.00 C ATOM 954 CG GLN A 61 7.755 -12.850 1.674 1.00 0.00 C ATOM 955 CD GLN A 61 8.804 -13.940 1.459 1.00 0.00 C ATOM 956 OE1 GLN A 61 9.182 -14.678 2.362 1.00 0.00 O ATOM 957 NE2 GLN A 61 9.329 -14.064 0.256 1.00 0.00 N ATOM 0 H GLN A 61 8.362 -8.747 0.259 1.00 0.00 H new ATOM 0 HA GLN A 61 7.149 -10.574 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.364 -11.445 1.367 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.615 -11.335 2.947 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.142 -13.100 2.540 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.089 -12.810 0.812 1.00 0.00 H new ATOM 0 HE21 GLN A 61 9.020 -13.454 -0.501 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.044 -14.770 0.082 1.00 0.00 H new ATOM 966 N ARG A 62 5.935 -8.805 2.548 1.00 0.00 N ATOM 967 CA ARG A 62 4.666 -8.403 3.176 1.00 0.00 C ATOM 968 C ARG A 62 3.581 -8.193 2.113 1.00 0.00 C ATOM 969 O ARG A 62 3.923 -7.846 0.975 1.00 0.00 O ATOM 970 CB ARG A 62 4.815 -7.104 3.994 1.00 0.00 C ATOM 971 CG ARG A 62 5.834 -7.182 5.133 1.00 0.00 C ATOM 972 CD ARG A 62 5.526 -8.208 6.226 1.00 0.00 C ATOM 973 NE ARG A 62 6.717 -8.373 7.076 1.00 0.00 N ATOM 974 CZ ARG A 62 6.894 -9.250 8.055 1.00 0.00 C ATOM 975 NH1 ARG A 62 5.954 -10.099 8.418 1.00 0.00 N ATOM 976 NH2 ARG A 62 8.047 -9.280 8.686 1.00 0.00 N ATOM 0 H ARG A 62 6.571 -8.023 2.392 1.00 0.00 H new ATOM 0 HA ARG A 62 4.379 -9.210 3.850 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.104 -6.297 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.843 -6.839 4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.811 -7.413 4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.912 -6.198 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.678 -7.877 6.826 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.247 -9.162 5.779 1.00 0.00 H new ATOM 0 HE ARG A 62 7.495 -7.740 6.891 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.052 -10.096 7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.128 -10.759 9.176 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.791 -8.634 8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.198 -9.949 9.441 1.00 0.00 H new ATOM 990 N PRO A 63 2.292 -8.337 2.477 1.00 0.00 N ATOM 991 CA PRO A 63 1.182 -7.963 1.615 1.00 0.00 C ATOM 992 C PRO A 63 1.133 -6.436 1.469 1.00 0.00 C ATOM 993 O PRO A 63 1.196 -5.698 2.451 1.00 0.00 O ATOM 994 CB PRO A 63 -0.066 -8.547 2.282 1.00 0.00 C ATOM 995 CG PRO A 63 0.297 -8.609 3.765 1.00 0.00 C ATOM 996 CD PRO A 63 1.806 -8.829 3.764 1.00 0.00 C ATOM 0 HA PRO A 63 1.273 -8.350 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.940 -7.918 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -0.303 -9.535 1.888 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.028 -7.687 4.281 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.225 -9.421 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.277 -8.293 4.588 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.045 -9.885 3.892 1.00 0.00 H new ATOM 1004 N CYS A 64 1.028 -5.964 0.224 1.00 0.00 N ATOM 1005 CA CYS A 64 1.125 -4.548 -0.155 1.00 0.00 C ATOM 1006 C CYS A 64 -0.025 -3.670 0.388 1.00 0.00 C ATOM 1007 O CYS A 64 0.087 -2.443 0.440 1.00 0.00 O ATOM 1008 CB CYS A 64 1.217 -4.538 -1.685 1.00 0.00 C ATOM 1009 SG CYS A 64 1.902 -2.983 -2.294 1.00 0.00 S ATOM 0 H CYS A 64 0.868 -6.576 -0.576 1.00 0.00 H new ATOM 0 HA CYS A 64 2.004 -4.092 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.841 -5.367 -2.019 1.00 0.00 H new ATOM 0 HB3 CYS A 64 0.226 -4.692 -2.112 1.00 0.00 H new ATOM 0 HG CYS A 64 1.965 -3.015 -3.592 1.00 0.00 H new ATOM 1015 N THR A 65 -1.103 -4.309 0.864 1.00 0.00 N ATOM 1016 CA THR A 65 -2.206 -3.694 1.620 1.00 0.00 C ATOM 1017 C THR A 65 -1.741 -3.027 2.914 1.00 0.00 C ATOM 1018 O THR A 65 -2.427 -2.124 3.393 1.00 0.00 O ATOM 1019 CB THR A 65 -3.260 -4.749 1.971 1.00 0.00 C ATOM 1020 OG1 THR A 65 -2.606 -5.834 2.596 1.00 0.00 O ATOM 1021 CG2 THR A 65 -3.989 -5.269 0.732 1.00 0.00 C ATOM 0 H THR A 65 -1.237 -5.311 0.728 1.00 0.00 H new ATOM 0 HA THR A 65 -2.626 -2.924 0.974 1.00 0.00 H new ATOM 0 HB THR A 65 -4.000 -4.289 2.626 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.264 -6.521 2.831 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.726 -6.014 1.030 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.492 -4.441 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.270 -5.722 0.050 1.00 0.00 H new ATOM 1029 N CYS A 66 -0.599 -3.461 3.473 1.00 0.00 N ATOM 1030 CA CYS A 66 -0.020 -2.949 4.723 1.00 0.00 C ATOM 1031 C CYS A 66 -1.001 -3.083 5.904 1.00 0.00 C ATOM 1032 O CYS A 66 -1.121 -2.196 6.752 1.00 0.00 O ATOM 1033 CB CYS A 66 0.535 -1.532 4.505 1.00 0.00 C ATOM 1034 SG CYS A 66 1.847 -1.563 3.247 1.00 0.00 S ATOM 0 H CYS A 66 -0.037 -4.201 3.053 1.00 0.00 H new ATOM 0 HA CYS A 66 0.831 -3.567 5.010 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -0.266 -0.864 4.190 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.928 -1.139 5.442 1.00 0.00 H new ATOM 0 HG CYS A 66 1.337 -1.889 2.096 1.00 0.00 H new ATOM 1040 N ASP A 67 -1.673 -4.237 5.981 1.00 0.00 N ATOM 1041 CA ASP A 67 -2.723 -4.600 6.946 1.00 0.00 C ATOM 1042 C ASP A 67 -2.184 -4.848 8.377 1.00 0.00 C ATOM 1043 O ASP A 67 -2.835 -5.480 9.209 1.00 0.00 O ATOM 1044 CB ASP A 67 -3.487 -5.810 6.376 1.00 0.00 C ATOM 1045 CG ASP A 67 -4.803 -6.114 7.116 1.00 0.00 C ATOM 1046 OD1 ASP A 67 -5.635 -5.188 7.278 1.00 0.00 O ATOM 1047 OD2 ASP A 67 -5.027 -7.293 7.484 1.00 0.00 O ATOM 0 H ASP A 67 -1.486 -4.996 5.326 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.404 -3.758 7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -3.706 -5.628 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.844 -6.689 6.421 1.00 0.00 H new ATOM 1052 N PHE A 68 -0.977 -4.344 8.653 1.00 0.00 N ATOM 1053 CA PHE A 68 -0.339 -4.268 9.961 1.00 0.00 C ATOM 1054 C PHE A 68 -0.181 -2.814 10.466 1.00 0.00 C ATOM 1055 O PHE A 68 0.112 -2.615 11.646 1.00 0.00 O ATOM 1056 CB PHE A 68 1.013 -4.996 9.878 1.00 0.00 C ATOM 1057 CG PHE A 68 1.988 -4.426 8.862 1.00 0.00 C ATOM 1058 CD1 PHE A 68 2.866 -3.393 9.238 1.00 0.00 C ATOM 1059 CD2 PHE A 68 2.021 -4.923 7.544 1.00 0.00 C ATOM 1060 CE1 PHE A 68 3.768 -2.860 8.303 1.00 0.00 C ATOM 1061 CE2 PHE A 68 2.924 -4.387 6.608 1.00 0.00 C ATOM 1062 CZ PHE A 68 3.798 -3.353 6.987 1.00 0.00 C ATOM 0 H PHE A 68 -0.386 -3.955 7.918 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.979 -4.755 10.697 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.482 -4.973 10.862 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.831 -6.043 9.636 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.846 -3.009 10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.351 -5.718 7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.441 -2.068 8.596 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.946 -4.770 5.598 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.490 -2.939 6.269 1.00 0.00 H new ATOM 1072 N LEU A 69 -0.386 -1.795 9.608 1.00 0.00 N ATOM 1073 CA LEU A 69 -0.273 -0.368 9.973 1.00 0.00 C ATOM 1074 C LEU A 69 -1.511 0.219 10.675 1.00 0.00 C ATOM 1075 O LEU A 69 -1.450 1.350 11.158 1.00 0.00 O ATOM 1076 CB LEU A 69 0.059 0.469 8.719 1.00 0.00 C ATOM 1077 CG LEU A 69 1.452 0.218 8.113 1.00 0.00 C ATOM 1078 CD1 LEU A 69 1.633 1.118 6.883 1.00 0.00 C ATOM 1079 CD2 LEU A 69 2.579 0.511 9.118 1.00 0.00 C ATOM 0 H LEU A 69 -0.638 -1.941 8.630 1.00 0.00 H new ATOM 0 HA LEU A 69 0.534 -0.316 10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.693 0.266 7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.023 1.525 8.975 1.00 0.00 H new ATOM 0 HG LEU A 69 1.513 -0.835 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.618 0.946 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.865 0.885 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.545 2.163 7.181 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.544 0.321 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.527 1.554 9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.466 -0.134 9.989 1.00 0.00 H new ATOM 1091 N HIS A 70 -2.632 -0.503 10.728 1.00 0.00 N ATOM 1092 CA HIS A 70 -3.854 -0.044 11.388 1.00 0.00 C ATOM 1093 C HIS A 70 -3.739 0.038 12.931 1.00 0.00 C ATOM 1094 O HIS A 70 -2.913 -0.628 13.568 1.00 0.00 O ATOM 1095 CB HIS A 70 -5.035 -0.943 10.969 1.00 0.00 C ATOM 1096 CG HIS A 70 -5.113 -2.269 11.686 1.00 0.00 C ATOM 1097 ND1 HIS A 70 -5.840 -2.535 12.827 1.00 0.00 N ATOM 1098 CD2 HIS A 70 -4.499 -3.437 11.323 1.00 0.00 C ATOM 1099 CE1 HIS A 70 -5.657 -3.828 13.146 1.00 0.00 C ATOM 1100 NE2 HIS A 70 -4.844 -4.426 12.256 1.00 0.00 N ATOM 0 H HIS A 70 -2.717 -1.430 10.311 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.029 0.980 11.057 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.964 -0.399 11.140 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.967 -1.130 9.897 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.858 -3.574 10.465 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.101 -4.319 13.999 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.541 -5.400 12.259 1.00 0.00 H new ATOM 1108 N GLY A 71 -4.645 0.817 13.532 1.00 0.00 N ATOM 1109 CA GLY A 71 -4.915 0.876 14.975 1.00 0.00 C ATOM 1110 C GLY A 71 -6.369 1.287 15.256 1.00 0.00 C ATOM 1111 O GLY A 71 -7.201 1.194 14.349 1.00 0.00 O ATOM 0 H GLY A 71 -5.239 1.454 13.001 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.717 -0.097 15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.237 1.588 15.445 1.00 0.00 H new ATOM 1115 N PRO A 72 -6.704 1.757 16.475 1.00 0.00 N ATOM 1116 CA PRO A 72 -8.077 2.111 16.843 1.00 0.00 C ATOM 1117 C PRO A 72 -8.651 3.312 16.068 1.00 0.00 C ATOM 1118 O PRO A 72 -9.873 3.452 16.013 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.041 2.365 18.356 1.00 0.00 C ATOM 1120 CG PRO A 72 -6.588 2.748 18.631 1.00 0.00 C ATOM 1121 CD PRO A 72 -5.817 1.898 17.624 1.00 0.00 C ATOM 0 HA PRO A 72 -8.755 1.300 16.576 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.726 3.163 18.643 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.333 1.477 18.917 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.415 3.813 18.478 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -6.298 2.522 19.657 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.880 2.378 17.340 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.562 0.925 18.045 1.00 0.00 H new ATOM 1129 N ARG A 73 -7.809 4.153 15.440 1.00 0.00 N ATOM 1130 CA ARG A 73 -8.245 5.287 14.611 1.00 0.00 C ATOM 1131 C ARG A 73 -8.481 4.903 13.136 1.00 0.00 C ATOM 1132 O ARG A 73 -8.957 5.737 12.363 1.00 0.00 O ATOM 1133 CB ARG A 73 -7.208 6.424 14.758 1.00 0.00 C ATOM 1134 CG ARG A 73 -7.609 7.830 14.289 1.00 0.00 C ATOM 1135 CD ARG A 73 -8.748 8.441 15.108 1.00 0.00 C ATOM 1136 NE ARG A 73 -10.070 7.936 14.693 1.00 0.00 N ATOM 1137 CZ ARG A 73 -11.173 7.900 15.435 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -11.220 8.418 16.646 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -12.258 7.329 14.960 1.00 0.00 N ATOM 0 H ARG A 73 -6.795 4.061 15.496 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.218 5.627 14.967 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.931 6.489 15.810 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.312 6.132 14.210 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.740 8.485 14.344 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.908 7.784 13.242 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.592 8.220 16.164 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.727 9.526 15.003 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.146 7.578 13.741 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.393 8.865 17.042 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.083 8.372 17.187 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.251 6.917 14.027 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.107 7.298 15.524 1.00 0.00 H new ATOM 1153 N THR A 74 -8.143 3.669 12.730 1.00 0.00 N ATOM 1154 CA THR A 74 -8.287 3.152 11.354 1.00 0.00 C ATOM 1155 C THR A 74 -9.700 2.595 11.155 1.00 0.00 C ATOM 1156 O THR A 74 -10.225 1.909 12.031 1.00 0.00 O ATOM 1157 CB THR A 74 -7.227 2.083 11.059 1.00 0.00 C ATOM 1158 OG1 THR A 74 -5.976 2.523 11.530 1.00 0.00 O ATOM 1159 CG2 THR A 74 -7.095 1.818 9.561 1.00 0.00 C ATOM 0 H THR A 74 -7.749 2.979 13.369 1.00 0.00 H new ATOM 0 HA THR A 74 -8.133 3.971 10.651 1.00 0.00 H new ATOM 0 HB THR A 74 -7.539 1.165 11.557 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.510 3.007 10.817 1.00 0.00 H new ATOM 0 HG21 THR A 74 -6.335 1.055 9.392 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.051 1.472 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.805 2.738 9.053 1.00 0.00 H new ATOM 1167 N GLN A 75 -10.315 2.877 10.001 1.00 0.00 N ATOM 1168 CA GLN A 75 -11.677 2.440 9.662 1.00 0.00 C ATOM 1169 C GLN A 75 -11.628 1.245 8.698 1.00 0.00 C ATOM 1170 O GLN A 75 -10.903 1.270 7.698 1.00 0.00 O ATOM 1171 CB GLN A 75 -12.469 3.611 9.036 1.00 0.00 C ATOM 1172 CG GLN A 75 -13.068 4.604 10.055 1.00 0.00 C ATOM 1173 CD GLN A 75 -12.046 5.271 10.981 1.00 0.00 C ATOM 1174 OE1 GLN A 75 -12.080 5.127 12.198 1.00 0.00 O ATOM 1175 NE2 GLN A 75 -11.087 6.007 10.456 1.00 0.00 N ATOM 0 H GLN A 75 -9.874 3.425 9.262 1.00 0.00 H new ATOM 0 HA GLN A 75 -12.184 2.125 10.574 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.810 4.157 8.361 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.277 3.202 8.430 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.605 5.381 9.511 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.801 4.077 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.041 6.139 9.446 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.391 6.444 11.060 1.00 0.00 H new ATOM 1184 N ARG A 76 -12.453 0.219 8.957 1.00 0.00 N ATOM 1185 CA ARG A 76 -12.511 -1.023 8.164 1.00 0.00 C ATOM 1186 C ARG A 76 -12.846 -0.759 6.685 1.00 0.00 C ATOM 1187 O ARG A 76 -12.270 -1.387 5.796 1.00 0.00 O ATOM 1188 CB ARG A 76 -13.541 -1.973 8.811 1.00 0.00 C ATOM 1189 CG ARG A 76 -13.358 -3.453 8.421 1.00 0.00 C ATOM 1190 CD ARG A 76 -12.199 -4.139 9.160 1.00 0.00 C ATOM 1191 NE ARG A 76 -12.489 -4.285 10.602 1.00 0.00 N ATOM 1192 CZ ARG A 76 -11.627 -4.603 11.562 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -10.356 -4.847 11.314 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -12.045 -4.682 12.807 1.00 0.00 N ATOM 0 H ARG A 76 -13.111 0.227 9.737 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.525 -1.487 8.169 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -13.473 -1.882 9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -14.544 -1.654 8.526 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.282 -3.993 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.184 -3.519 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.017 -5.121 8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.287 -3.557 9.028 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.454 -4.125 10.891 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.004 -4.795 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -9.724 -5.088 12.078 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.024 -4.500 13.029 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -11.390 -4.925 13.550 1.00 0.00 H new ATOM 1208 N ARG A 77 -13.715 0.229 6.418 1.00 0.00 N ATOM 1209 CA ARG A 77 -14.105 0.675 5.067 1.00 0.00 C ATOM 1210 C ARG A 77 -12.892 1.070 4.217 1.00 0.00 C ATOM 1211 O ARG A 77 -12.781 0.628 3.077 1.00 0.00 O ATOM 1212 CB ARG A 77 -15.116 1.837 5.198 1.00 0.00 C ATOM 1213 CG ARG A 77 -15.736 2.309 3.868 1.00 0.00 C ATOM 1214 CD ARG A 77 -16.699 1.302 3.216 1.00 0.00 C ATOM 1215 NE ARG A 77 -17.915 1.092 4.026 1.00 0.00 N ATOM 1216 CZ ARG A 77 -18.998 1.866 4.064 1.00 0.00 C ATOM 1217 NH1 ARG A 77 -19.103 2.971 3.353 1.00 0.00 N ATOM 1218 NH2 ARG A 77 -20.010 1.530 4.837 1.00 0.00 N ATOM 0 H ARG A 77 -14.180 0.756 7.157 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.577 -0.156 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.919 1.527 5.867 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.616 2.683 5.670 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.271 3.242 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.932 2.530 3.166 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.981 1.660 2.226 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -16.187 0.350 3.077 1.00 0.00 H new ATOM 0 HE ARG A 77 -17.927 0.264 4.621 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.337 3.261 2.745 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -19.950 3.536 3.411 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.961 0.682 5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.843 2.118 4.871 1.00 0.00 H new ATOM 1232 N ALA A 78 -11.957 1.845 4.768 1.00 0.00 N ATOM 1233 CA ALA A 78 -10.741 2.272 4.073 1.00 0.00 C ATOM 1234 C ALA A 78 -9.783 1.097 3.827 1.00 0.00 C ATOM 1235 O ALA A 78 -9.351 0.890 2.698 1.00 0.00 O ATOM 1236 CB ALA A 78 -10.105 3.398 4.895 1.00 0.00 C ATOM 0 H ALA A 78 -12.023 2.199 5.722 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.984 2.648 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.194 3.739 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -10.806 4.229 4.977 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -9.862 3.029 5.891 1.00 0.00 H new ATOM 1242 N ALA A 79 -9.532 0.256 4.836 1.00 0.00 N ATOM 1243 CA ALA A 79 -8.699 -0.950 4.683 1.00 0.00 C ATOM 1244 C ALA A 79 -9.214 -1.882 3.563 1.00 0.00 C ATOM 1245 O ALA A 79 -8.426 -2.469 2.818 1.00 0.00 O ATOM 1246 CB ALA A 79 -8.639 -1.660 6.042 1.00 0.00 C ATOM 0 H ALA A 79 -9.897 0.388 5.779 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.695 -0.661 4.374 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -8.027 -2.558 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.201 -0.991 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.647 -1.936 6.353 1.00 0.00 H new ATOM 1252 N ALA A 80 -10.538 -1.943 3.391 1.00 0.00 N ATOM 1253 CA ALA A 80 -11.218 -2.659 2.310 1.00 0.00 C ATOM 1254 C ALA A 80 -11.051 -1.984 0.947 1.00 0.00 C ATOM 1255 O ALA A 80 -10.843 -2.672 -0.051 1.00 0.00 O ATOM 1256 CB ALA A 80 -12.704 -2.730 2.662 1.00 0.00 C ATOM 0 H ALA A 80 -11.188 -1.478 4.024 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.771 -3.649 2.223 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -13.240 -3.259 1.874 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.829 -3.261 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -13.104 -1.721 2.758 1.00 0.00 H new ATOM 1262 N GLN A 81 -11.121 -0.648 0.877 1.00 0.00 N ATOM 1263 CA GLN A 81 -10.934 0.069 -0.382 1.00 0.00 C ATOM 1264 C GLN A 81 -9.544 -0.166 -0.980 1.00 0.00 C ATOM 1265 O GLN A 81 -9.439 -0.195 -2.200 1.00 0.00 O ATOM 1266 CB GLN A 81 -11.200 1.573 -0.208 1.00 0.00 C ATOM 1267 CG GLN A 81 -12.641 2.000 0.116 1.00 0.00 C ATOM 1268 CD GLN A 81 -13.715 1.109 -0.506 1.00 0.00 C ATOM 1269 OE1 GLN A 81 -13.922 1.097 -1.713 1.00 0.00 O ATOM 1270 NE2 GLN A 81 -14.372 0.283 0.283 1.00 0.00 N ATOM 0 H GLN A 81 -11.306 -0.046 1.679 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.664 -0.333 -1.085 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -10.552 1.941 0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.896 2.078 -1.125 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -12.772 2.005 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.790 3.023 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.200 0.293 1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -15.053 -0.366 -0.112 1.00 0.00 H new ATOM 1279 N ILE A 82 -8.496 -0.395 -0.174 1.00 0.00 N ATOM 1280 CA ILE A 82 -7.176 -0.788 -0.711 1.00 0.00 C ATOM 1281 C ILE A 82 -7.271 -2.148 -1.411 1.00 0.00 C ATOM 1282 O ILE A 82 -6.840 -2.275 -2.552 1.00 0.00 O ATOM 1283 CB ILE A 82 -6.084 -0.780 0.387 1.00 0.00 C ATOM 1284 CG1 ILE A 82 -6.035 0.586 1.106 1.00 0.00 C ATOM 1285 CG2 ILE A 82 -4.715 -1.093 -0.247 1.00 0.00 C ATOM 1286 CD1 ILE A 82 -5.048 0.647 2.271 1.00 0.00 C ATOM 0 H ILE A 82 -8.531 -0.317 0.842 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.876 -0.047 -1.451 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.327 -1.543 1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.772 1.356 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.032 0.825 1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.946 -1.087 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.748 -2.075 -0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.480 -0.338 -0.998 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.076 1.640 2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.321 -0.097 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.041 0.442 1.906 1.00 0.00 H new ATOM 1298 N ALA A 83 -7.901 -3.145 -0.787 1.00 0.00 N ATOM 1299 CA ALA A 83 -8.108 -4.459 -1.403 1.00 0.00 C ATOM 1300 C ALA A 83 -8.991 -4.386 -2.666 1.00 0.00 C ATOM 1301 O ALA A 83 -8.736 -5.100 -3.632 1.00 0.00 O ATOM 1302 CB ALA A 83 -8.684 -5.408 -0.343 1.00 0.00 C ATOM 0 H ALA A 83 -8.281 -3.066 0.156 1.00 0.00 H new ATOM 0 HA ALA A 83 -7.150 -4.846 -1.750 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.845 -6.392 -0.784 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.984 -5.493 0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.633 -5.014 0.021 1.00 0.00 H new ATOM 1308 N GLN A 84 -9.981 -3.486 -2.704 1.00 0.00 N ATOM 1309 CA GLN A 84 -10.766 -3.198 -3.914 1.00 0.00 C ATOM 1310 C GLN A 84 -9.935 -2.470 -4.987 1.00 0.00 C ATOM 1311 O GLN A 84 -10.149 -2.697 -6.176 1.00 0.00 O ATOM 1312 CB GLN A 84 -12.011 -2.368 -3.556 1.00 0.00 C ATOM 1313 CG GLN A 84 -13.053 -3.120 -2.704 1.00 0.00 C ATOM 1314 CD GLN A 84 -13.753 -4.275 -3.435 1.00 0.00 C ATOM 1315 OE1 GLN A 84 -13.812 -4.349 -4.656 1.00 0.00 O ATOM 1316 NE2 GLN A 84 -14.313 -5.228 -2.715 1.00 0.00 N ATOM 0 H GLN A 84 -10.262 -2.934 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 84 -11.076 -4.155 -4.334 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -11.695 -1.475 -3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -12.487 -2.033 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.562 -3.514 -1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.807 -2.410 -2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -14.276 -5.186 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -14.783 -6.007 -3.177 1.00 0.00 H new ATOM 1325 N ALA A 85 -8.951 -1.643 -4.609 1.00 0.00 N ATOM 1326 CA ALA A 85 -8.055 -0.973 -5.556 1.00 0.00 C ATOM 1327 C ALA A 85 -7.114 -1.977 -6.259 1.00 0.00 C ATOM 1328 O ALA A 85 -6.751 -1.766 -7.417 1.00 0.00 O ATOM 1329 CB ALA A 85 -7.301 0.148 -4.829 1.00 0.00 C ATOM 0 H ALA A 85 -8.755 -1.420 -3.633 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.643 -0.521 -6.355 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.633 0.650 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -8.016 0.868 -4.430 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.718 -0.276 -4.011 1.00 0.00 H new ATOM 1335 N LEU A 86 -6.787 -3.102 -5.602 1.00 0.00 N ATOM 1336 CA LEU A 86 -6.086 -4.255 -6.198 1.00 0.00 C ATOM 1337 C LEU A 86 -6.973 -5.102 -7.136 1.00 0.00 C ATOM 1338 O LEU A 86 -6.455 -5.930 -7.886 1.00 0.00 O ATOM 1339 CB LEU A 86 -5.531 -5.163 -5.083 1.00 0.00 C ATOM 1340 CG LEU A 86 -4.609 -4.488 -4.054 1.00 0.00 C ATOM 1341 CD1 LEU A 86 -4.211 -5.517 -2.991 1.00 0.00 C ATOM 1342 CD2 LEU A 86 -3.353 -3.892 -4.695 1.00 0.00 C ATOM 0 H LEU A 86 -7.008 -3.240 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.281 -3.840 -6.805 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.373 -5.605 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.983 -5.982 -5.549 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.159 -3.662 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.557 -5.047 -2.257 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.106 -5.891 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.687 -6.346 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.737 -3.428 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.785 -4.682 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.641 -3.141 -5.431 1.00 0.00 H new ATOM 1354 N LEU A 87 -8.299 -4.922 -7.104 1.00 0.00 N ATOM 1355 CA LEU A 87 -9.244 -5.551 -8.043 1.00 0.00 C ATOM 1356 C LEU A 87 -9.588 -4.640 -9.239 1.00 0.00 C ATOM 1357 O LEU A 87 -10.184 -5.109 -10.212 1.00 0.00 O ATOM 1358 CB LEU A 87 -10.511 -5.991 -7.279 1.00 0.00 C ATOM 1359 CG LEU A 87 -10.265 -7.043 -6.174 1.00 0.00 C ATOM 1360 CD1 LEU A 87 -11.570 -7.312 -5.415 1.00 0.00 C ATOM 1361 CD2 LEU A 87 -9.719 -8.366 -6.735 1.00 0.00 C ATOM 0 H LEU A 87 -8.756 -4.326 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.761 -6.430 -8.471 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.971 -5.112 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.228 -6.395 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.511 -6.634 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.392 -8.054 -4.637 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -11.924 -6.387 -4.960 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.323 -7.686 -6.108 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.563 -9.071 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -10.434 -8.784 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.771 -8.183 -7.242 1.00 0.00 H new ATOM 1373 N GLY A 88 -9.198 -3.358 -9.193 1.00 0.00 N ATOM 1374 CA GLY A 88 -9.401 -2.376 -10.264 1.00 0.00 C ATOM 1375 C GLY A 88 -8.267 -2.375 -11.295 1.00 0.00 C ATOM 1376 O GLY A 88 -7.095 -2.517 -10.947 1.00 0.00 O ATOM 0 H GLY A 88 -8.718 -2.965 -8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.344 -2.586 -10.769 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.488 -1.382 -9.826 1.00 0.00 H new ATOM 1380 N ALA A 89 -8.618 -2.159 -12.567 1.00 0.00 N ATOM 1381 CA ALA A 89 -7.673 -2.032 -13.688 1.00 0.00 C ATOM 1382 C ALA A 89 -7.192 -0.583 -13.938 1.00 0.00 C ATOM 1383 O ALA A 89 -6.369 -0.349 -14.824 1.00 0.00 O ATOM 1384 CB ALA A 89 -8.364 -2.598 -14.933 1.00 0.00 C ATOM 0 H ALA A 89 -9.592 -2.065 -12.856 1.00 0.00 H new ATOM 0 HA ALA A 89 -6.768 -2.588 -13.442 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.693 -2.521 -15.788 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.618 -3.644 -14.764 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.273 -2.032 -15.134 1.00 0.00 H new ATOM 1390 N GLU A 90 -7.724 0.382 -13.182 1.00 0.00 N ATOM 1391 CA GLU A 90 -7.481 1.825 -13.306 1.00 0.00 C ATOM 1392 C GLU A 90 -7.009 2.423 -11.964 1.00 0.00 C ATOM 1393 O GLU A 90 -7.123 1.790 -10.911 1.00 0.00 O ATOM 1394 CB GLU A 90 -8.775 2.508 -13.786 1.00 0.00 C ATOM 1395 CG GLU A 90 -9.126 2.149 -15.237 1.00 0.00 C ATOM 1396 CD GLU A 90 -10.388 2.895 -15.694 1.00 0.00 C ATOM 1397 OE1 GLU A 90 -11.511 2.361 -15.520 1.00 0.00 O ATOM 1398 OE2 GLU A 90 -10.270 4.019 -16.237 1.00 0.00 O ATOM 0 H GLU A 90 -8.372 0.167 -12.424 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.688 1.997 -14.034 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.599 2.218 -13.134 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.665 3.589 -13.699 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -8.292 2.402 -15.891 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.283 1.074 -15.322 1.00 0.00 H new ATOM 1405 N GLU A 91 -6.463 3.646 -11.998 1.00 0.00 N ATOM 1406 CA GLU A 91 -5.954 4.353 -10.813 1.00 0.00 C ATOM 1407 C GLU A 91 -7.064 4.615 -9.774 1.00 0.00 C ATOM 1408 O GLU A 91 -8.188 4.985 -10.129 1.00 0.00 O ATOM 1409 CB GLU A 91 -5.293 5.681 -11.221 1.00 0.00 C ATOM 1410 CG GLU A 91 -3.997 5.485 -12.017 1.00 0.00 C ATOM 1411 CD GLU A 91 -3.478 6.828 -12.550 1.00 0.00 C ATOM 1412 OE1 GLU A 91 -2.950 7.644 -11.757 1.00 0.00 O ATOM 1413 OE2 GLU A 91 -3.599 7.082 -13.773 1.00 0.00 O ATOM 0 H GLU A 91 -6.361 4.180 -12.861 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.210 3.707 -10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.996 6.262 -11.819 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.078 6.264 -10.325 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.241 5.024 -11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.175 4.803 -12.848 1.00 0.00 H new ATOM 1420 N ARG A 92 -6.731 4.450 -8.484 1.00 0.00 N ATOM 1421 CA ARG A 92 -7.689 4.511 -7.363 1.00 0.00 C ATOM 1422 C ARG A 92 -6.999 4.991 -6.080 1.00 0.00 C ATOM 1423 O ARG A 92 -6.022 4.381 -5.640 1.00 0.00 O ATOM 1424 CB ARG A 92 -8.346 3.116 -7.195 1.00 0.00 C ATOM 1425 CG ARG A 92 -9.831 3.109 -6.780 1.00 0.00 C ATOM 1426 CD ARG A 92 -10.135 3.786 -5.439 1.00 0.00 C ATOM 1427 NE ARG A 92 -11.556 3.648 -5.065 1.00 0.00 N ATOM 1428 CZ ARG A 92 -12.122 2.693 -4.332 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -11.467 1.632 -3.904 1.00 0.00 N ATOM 1430 NH2 ARG A 92 -13.389 2.793 -4.001 1.00 0.00 N ATOM 0 H ARG A 92 -5.774 4.267 -8.183 1.00 0.00 H new ATOM 0 HA ARG A 92 -8.472 5.239 -7.578 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.251 2.577 -8.137 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -7.779 2.558 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.412 3.603 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -10.174 2.076 -6.734 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -9.510 3.348 -4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -9.876 4.843 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.182 4.375 -5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -10.480 1.516 -4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.947 0.928 -3.344 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.934 3.600 -4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.828 2.064 -3.439 1.00 0.00 H new ATOM 1444 N LYS A 93 -7.498 6.070 -5.461 1.00 0.00 N ATOM 1445 CA LYS A 93 -7.102 6.513 -4.122 1.00 0.00 C ATOM 1446 C LYS A 93 -7.939 5.891 -2.992 1.00 0.00 C ATOM 1447 O LYS A 93 -9.116 5.586 -3.158 1.00 0.00 O ATOM 1448 CB LYS A 93 -7.200 8.041 -4.012 1.00 0.00 C ATOM 1449 CG LYS A 93 -6.150 8.800 -4.816 1.00 0.00 C ATOM 1450 CD LYS A 93 -6.278 8.900 -6.337 1.00 0.00 C ATOM 1451 CE LYS A 93 -7.559 9.681 -6.656 1.00 0.00 C ATOM 1452 NZ LYS A 93 -7.696 9.985 -8.109 1.00 0.00 N ATOM 0 H LYS A 93 -8.203 6.670 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.073 6.175 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.190 8.354 -4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.111 8.324 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.115 9.817 -4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.184 8.343 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.409 9.404 -6.760 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.317 7.906 -6.782 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -8.423 9.105 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -7.562 10.613 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -8.577 10.513 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.886 10.558 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.721 9.096 -8.649 1.00 0.00 H new ATOM 1466 N VAL A 94 -7.322 5.790 -1.816 1.00 0.00 N ATOM 1467 CA VAL A 94 -7.943 5.479 -0.518 1.00 0.00 C ATOM 1468 C VAL A 94 -7.304 6.386 0.529 1.00 0.00 C ATOM 1469 O VAL A 94 -6.080 6.522 0.551 1.00 0.00 O ATOM 1470 CB VAL A 94 -7.726 4.002 -0.118 1.00 0.00 C ATOM 1471 CG1 VAL A 94 -8.453 3.684 1.189 1.00 0.00 C ATOM 1472 CG2 VAL A 94 -8.138 3.063 -1.247 1.00 0.00 C ATOM 0 H VAL A 94 -6.315 5.930 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 94 -9.018 5.643 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.662 3.843 0.055 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.287 2.639 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.070 4.324 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -9.521 3.862 1.064 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -7.975 2.030 -0.939 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -9.193 3.211 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -7.541 3.276 -2.134 1.00 0.00 H new ATOM 1482 N GLU A 95 -8.116 6.993 1.391 1.00 0.00 N ATOM 1483 CA GLU A 95 -7.645 7.779 2.531 1.00 0.00 C ATOM 1484 C GLU A 95 -7.804 6.950 3.815 1.00 0.00 C ATOM 1485 O GLU A 95 -8.908 6.509 4.137 1.00 0.00 O ATOM 1486 CB GLU A 95 -8.425 9.103 2.566 1.00 0.00 C ATOM 1487 CG GLU A 95 -7.996 10.037 3.698 1.00 0.00 C ATOM 1488 CD GLU A 95 -8.756 11.371 3.621 1.00 0.00 C ATOM 1489 OE1 GLU A 95 -8.404 12.228 2.777 1.00 0.00 O ATOM 1490 OE2 GLU A 95 -9.718 11.569 4.401 1.00 0.00 O ATOM 0 H GLU A 95 -9.133 6.953 1.317 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.587 8.024 2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.295 9.617 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -9.488 8.886 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.185 9.561 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.923 10.220 3.638 1.00 0.00 H new ATOM 1497 N ILE A 96 -6.704 6.703 4.537 1.00 0.00 N ATOM 1498 CA ILE A 96 -6.652 5.742 5.658 1.00 0.00 C ATOM 1499 C ILE A 96 -5.671 6.182 6.755 1.00 0.00 C ATOM 1500 O ILE A 96 -4.639 6.775 6.462 1.00 0.00 O ATOM 1501 CB ILE A 96 -6.320 4.326 5.113 1.00 0.00 C ATOM 1502 CG1 ILE A 96 -6.435 3.272 6.236 1.00 0.00 C ATOM 1503 CG2 ILE A 96 -4.955 4.269 4.405 1.00 0.00 C ATOM 1504 CD1 ILE A 96 -6.422 1.821 5.754 1.00 0.00 C ATOM 0 H ILE A 96 -5.813 7.167 4.361 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.633 5.712 6.133 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.060 4.088 4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.612 3.415 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.358 3.449 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.774 3.256 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.953 4.960 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.169 4.550 5.106 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.507 1.152 6.611 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.261 1.654 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.488 1.620 5.229 1.00 0.00 H new ATOM 1516 N ALA A 97 -5.974 5.900 8.027 1.00 0.00 N ATOM 1517 CA ALA A 97 -5.070 6.197 9.140 1.00 0.00 C ATOM 1518 C ALA A 97 -4.026 5.083 9.340 1.00 0.00 C ATOM 1519 O ALA A 97 -4.380 3.938 9.627 1.00 0.00 O ATOM 1520 CB ALA A 97 -5.900 6.464 10.401 1.00 0.00 C ATOM 0 H ALA A 97 -6.850 5.461 8.312 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.496 7.095 8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.234 6.686 11.235 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.561 7.313 10.228 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.496 5.583 10.638 1.00 0.00 H new ATOM 1526 N PHE A 98 -2.747 5.440 9.214 1.00 0.00 N ATOM 1527 CA PHE A 98 -1.578 4.610 9.506 1.00 0.00 C ATOM 1528 C PHE A 98 -0.885 5.073 10.800 1.00 0.00 C ATOM 1529 O PHE A 98 -0.890 6.257 11.143 1.00 0.00 O ATOM 1530 CB PHE A 98 -0.583 4.706 8.333 1.00 0.00 C ATOM 1531 CG PHE A 98 -0.925 4.005 7.023 1.00 0.00 C ATOM 1532 CD1 PHE A 98 -2.004 3.104 6.904 1.00 0.00 C ATOM 1533 CD2 PHE A 98 -0.087 4.224 5.910 1.00 0.00 C ATOM 1534 CE1 PHE A 98 -2.229 2.424 5.694 1.00 0.00 C ATOM 1535 CE2 PHE A 98 -0.318 3.548 4.697 1.00 0.00 C ATOM 1536 CZ PHE A 98 -1.388 2.646 4.590 1.00 0.00 C ATOM 0 H PHE A 98 -2.485 6.370 8.887 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.907 3.579 9.639 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -0.433 5.763 8.113 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.373 4.313 8.678 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.660 2.936 7.746 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.739 4.916 5.989 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.051 1.728 5.613 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.328 3.723 3.849 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.565 2.124 3.661 1.00 0.00 H new ATOM 1546 N TYR A 99 -0.248 4.128 11.496 1.00 0.00 N ATOM 1547 CA TYR A 99 0.558 4.368 12.697 1.00 0.00 C ATOM 1548 C TYR A 99 2.062 4.157 12.431 1.00 0.00 C ATOM 1549 O TYR A 99 2.449 3.169 11.799 1.00 0.00 O ATOM 1550 CB TYR A 99 0.082 3.445 13.828 1.00 0.00 C ATOM 1551 CG TYR A 99 -1.247 3.836 14.453 1.00 0.00 C ATOM 1552 CD1 TYR A 99 -2.458 3.642 13.755 1.00 0.00 C ATOM 1553 CD2 TYR A 99 -1.273 4.384 15.751 1.00 0.00 C ATOM 1554 CE1 TYR A 99 -3.683 4.001 14.343 1.00 0.00 C ATOM 1555 CE2 TYR A 99 -2.497 4.719 16.357 1.00 0.00 C ATOM 1556 CZ TYR A 99 -3.706 4.527 15.653 1.00 0.00 C ATOM 1557 OH TYR A 99 -4.895 4.835 16.238 1.00 0.00 O ATOM 0 H TYR A 99 -0.280 3.143 11.231 1.00 0.00 H new ATOM 0 HA TYR A 99 0.424 5.409 12.991 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.000 2.430 13.439 1.00 0.00 H new ATOM 0 HB3 TYR A 99 0.843 3.427 14.608 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.443 3.215 12.763 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -0.348 4.548 16.283 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -4.605 3.875 13.794 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.512 5.122 17.359 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.735 5.185 17.139 1.00 0.00 H new ATOM 1567 N ARG A 100 2.912 5.060 12.943 1.00 0.00 N ATOM 1568 CA ARG A 100 4.382 4.921 12.898 1.00 0.00 C ATOM 1569 C ARG A 100 4.935 4.107 14.080 1.00 0.00 C ATOM 1570 O ARG A 100 4.250 3.881 15.078 1.00 0.00 O ATOM 1571 CB ARG A 100 5.077 6.290 12.728 1.00 0.00 C ATOM 1572 CG ARG A 100 4.970 7.226 13.942 1.00 0.00 C ATOM 1573 CD ARG A 100 5.689 8.568 13.731 1.00 0.00 C ATOM 1574 NE ARG A 100 7.158 8.427 13.646 1.00 0.00 N ATOM 1575 CZ ARG A 100 8.039 9.423 13.710 1.00 0.00 C ATOM 1576 NH1 ARG A 100 7.670 10.679 13.850 1.00 0.00 N ATOM 1577 NH2 ARG A 100 9.328 9.164 13.629 1.00 0.00 N ATOM 0 H ARG A 100 2.600 5.915 13.404 1.00 0.00 H new ATOM 0 HA ARG A 100 4.622 4.339 12.008 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.132 6.121 12.510 1.00 0.00 H new ATOM 0 HB3 ARG A 100 4.649 6.793 11.861 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.918 7.414 14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 100 5.391 6.728 14.816 1.00 0.00 H new ATOM 0 HD2 ARG A 100 5.320 9.032 12.816 1.00 0.00 H new ATOM 0 HD3 ARG A 100 5.441 9.240 14.552 1.00 0.00 H new ATOM 0 HE ARG A 100 7.529 7.484 13.528 1.00 0.00 H new ATOM 0 HH11 ARG A 100 6.680 10.916 13.913 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.374 11.415 13.895 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.649 8.202 13.518 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.005 9.925 13.678 1.00 0.00 H new ATOM 1591 N LYS A 101 6.212 3.725 13.996 1.00 0.00 N ATOM 1592 CA LYS A 101 6.947 2.941 15.013 1.00 0.00 C ATOM 1593 C LYS A 101 6.982 3.613 16.401 1.00 0.00 C ATOM 1594 O LYS A 101 6.994 2.934 17.428 1.00 0.00 O ATOM 1595 CB LYS A 101 8.389 2.698 14.507 1.00 0.00 C ATOM 1596 CG LYS A 101 8.733 1.214 14.322 1.00 0.00 C ATOM 1597 CD LYS A 101 8.171 0.660 13.003 1.00 0.00 C ATOM 1598 CE LYS A 101 8.374 -0.858 12.856 1.00 0.00 C ATOM 1599 NZ LYS A 101 9.797 -1.289 12.986 1.00 0.00 N ATOM 0 H LYS A 101 6.792 3.958 13.190 1.00 0.00 H new ATOM 0 HA LYS A 101 6.414 2.000 15.146 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.524 3.215 13.557 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.092 3.140 15.213 1.00 0.00 H new ATOM 0 HG2 LYS A 101 9.815 1.087 14.338 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.332 0.641 15.158 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.106 0.886 12.944 1.00 0.00 H new ATOM 0 HD3 LYS A 101 8.652 1.168 12.167 1.00 0.00 H new ATOM 0 HE2 LYS A 101 7.778 -1.370 13.612 1.00 0.00 H new ATOM 0 HE3 LYS A 101 7.995 -1.174 11.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.861 -2.319 12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 10.371 -0.815 12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.152 -1.034 13.929 1.00 0.00 H new ATOM 1613 N ASP A 102 6.971 4.951 16.422 1.00 0.00 N ATOM 1614 CA ASP A 102 6.963 5.776 17.643 1.00 0.00 C ATOM 1615 C ASP A 102 5.582 5.832 18.339 1.00 0.00 C ATOM 1616 O ASP A 102 5.460 6.382 19.436 1.00 0.00 O ATOM 1617 CB ASP A 102 7.469 7.183 17.278 1.00 0.00 C ATOM 1618 CG ASP A 102 7.853 8.019 18.513 1.00 0.00 C ATOM 1619 OD1 ASP A 102 8.739 7.579 19.286 1.00 0.00 O ATOM 1620 OD2 ASP A 102 7.306 9.134 18.687 1.00 0.00 O ATOM 0 H ASP A 102 6.967 5.508 15.568 1.00 0.00 H new ATOM 0 HA ASP A 102 7.626 5.313 18.374 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.335 7.094 16.622 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.696 7.707 16.716 1.00 0.00 H new ATOM 1625 N GLY A 103 4.544 5.258 17.713 1.00 0.00 N ATOM 1626 CA GLY A 103 3.170 5.181 18.228 1.00 0.00 C ATOM 1627 C GLY A 103 2.252 6.315 17.763 1.00 0.00 C ATOM 1628 O GLY A 103 1.089 6.350 18.162 1.00 0.00 O ATOM 0 H GLY A 103 4.643 4.818 16.798 1.00 0.00 H new ATOM 0 HA2 GLY A 103 2.734 4.230 17.923 1.00 0.00 H new ATOM 0 HA3 GLY A 103 3.203 5.181 19.317 1.00 0.00 H new ATOM 1632 N SER A 104 2.742 7.239 16.933 1.00 0.00 N ATOM 1633 CA SER A 104 1.942 8.369 16.420 1.00 0.00 C ATOM 1634 C SER A 104 1.046 7.945 15.241 1.00 0.00 C ATOM 1635 O SER A 104 1.378 7.010 14.507 1.00 0.00 O ATOM 1636 CB SER A 104 2.833 9.549 15.984 1.00 0.00 C ATOM 1637 OG SER A 104 3.974 9.733 16.819 1.00 0.00 O ATOM 0 H SER A 104 3.704 7.231 16.594 1.00 0.00 H new ATOM 0 HA SER A 104 1.308 8.693 17.245 1.00 0.00 H new ATOM 0 HB2 SER A 104 3.164 9.385 14.959 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.239 10.463 15.985 1.00 0.00 H new ATOM 0 HG SER A 104 4.500 10.493 16.492 1.00 0.00 H new ATOM 1643 N CYS A 105 -0.070 8.651 15.026 1.00 0.00 N ATOM 1644 CA CYS A 105 -1.052 8.364 13.979 1.00 0.00 C ATOM 1645 C CYS A 105 -1.164 9.521 12.970 1.00 0.00 C ATOM 1646 O CYS A 105 -0.958 10.694 13.296 1.00 0.00 O ATOM 1647 CB CYS A 105 -2.382 8.063 14.680 1.00 0.00 C ATOM 1648 SG CYS A 105 -3.613 7.479 13.484 1.00 0.00 S ATOM 0 H CYS A 105 -0.320 9.461 15.593 1.00 0.00 H new ATOM 0 HA CYS A 105 -0.743 7.503 13.387 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.230 7.309 15.452 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -2.748 8.960 15.179 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.820 6.208 13.660 1.00 0.00 H new ATOM 1654 N PHE A 106 -1.508 9.182 11.729 1.00 0.00 N ATOM 1655 CA PHE A 106 -1.700 10.121 10.628 1.00 0.00 C ATOM 1656 C PHE A 106 -2.552 9.509 9.514 1.00 0.00 C ATOM 1657 O PHE A 106 -2.461 8.320 9.213 1.00 0.00 O ATOM 1658 CB PHE A 106 -0.342 10.595 10.079 1.00 0.00 C ATOM 1659 CG PHE A 106 0.538 9.490 9.517 1.00 0.00 C ATOM 1660 CD1 PHE A 106 1.413 8.783 10.366 1.00 0.00 C ATOM 1661 CD2 PHE A 106 0.469 9.150 8.151 1.00 0.00 C ATOM 1662 CE1 PHE A 106 2.204 7.739 9.854 1.00 0.00 C ATOM 1663 CE2 PHE A 106 1.269 8.115 7.638 1.00 0.00 C ATOM 1664 CZ PHE A 106 2.133 7.406 8.491 1.00 0.00 C ATOM 0 H PHE A 106 -1.666 8.213 11.454 1.00 0.00 H new ATOM 0 HA PHE A 106 -2.237 10.986 11.017 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.520 11.333 9.296 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.200 11.102 10.877 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.476 9.044 11.412 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -0.201 9.687 7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.867 7.193 10.509 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.220 7.864 6.589 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.742 6.605 8.098 1.00 0.00 H new ATOM 1674 N LEU A 107 -3.352 10.351 8.862 1.00 0.00 N ATOM 1675 CA LEU A 107 -4.000 10.022 7.592 1.00 0.00 C ATOM 1676 C LEU A 107 -2.978 9.971 6.452 1.00 0.00 C ATOM 1677 O LEU A 107 -2.322 10.965 6.140 1.00 0.00 O ATOM 1678 CB LEU A 107 -5.084 11.061 7.261 1.00 0.00 C ATOM 1679 CG LEU A 107 -6.527 10.743 7.693 1.00 0.00 C ATOM 1680 CD1 LEU A 107 -6.999 9.358 7.232 1.00 0.00 C ATOM 1681 CD2 LEU A 107 -6.688 10.853 9.210 1.00 0.00 C ATOM 0 H LEU A 107 -3.571 11.287 9.202 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.459 9.039 7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -4.796 12.006 7.721 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.082 11.217 6.182 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.153 11.488 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.023 9.192 7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.960 9.304 6.144 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -6.350 8.592 7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -7.718 10.623 9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -6.016 10.148 9.699 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.446 11.867 9.529 1.00 0.00 H new ATOM 1693 N CYS A 108 -2.929 8.837 5.767 1.00 0.00 N ATOM 1694 CA CYS A 108 -2.212 8.605 4.521 1.00 0.00 C ATOM 1695 C CYS A 108 -3.216 8.511 3.354 1.00 0.00 C ATOM 1696 O CYS A 108 -4.222 7.799 3.426 1.00 0.00 O ATOM 1697 CB CYS A 108 -1.436 7.292 4.684 1.00 0.00 C ATOM 1698 SG CYS A 108 -0.367 7.055 3.238 1.00 0.00 S ATOM 0 H CYS A 108 -3.420 8.002 6.087 1.00 0.00 H new ATOM 0 HA CYS A 108 -1.525 9.422 4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -0.837 7.319 5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -2.128 6.455 4.782 1.00 0.00 H new ATOM 0 HG CYS A 108 0.310 5.954 3.375 1.00 0.00 H new ATOM 1704 N LEU A 109 -2.925 9.200 2.255 1.00 0.00 N ATOM 1705 CA LEU A 109 -3.509 8.979 0.937 1.00 0.00 C ATOM 1706 C LEU A 109 -2.688 7.873 0.260 1.00 0.00 C ATOM 1707 O LEU A 109 -1.513 8.070 -0.038 1.00 0.00 O ATOM 1708 CB LEU A 109 -3.474 10.323 0.172 1.00 0.00 C ATOM 1709 CG LEU A 109 -4.264 10.383 -1.158 1.00 0.00 C ATOM 1710 CD1 LEU A 109 -4.464 11.853 -1.553 1.00 0.00 C ATOM 1711 CD2 LEU A 109 -3.539 9.657 -2.300 1.00 0.00 C ATOM 0 H LEU A 109 -2.246 9.961 2.259 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.549 8.654 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.858 11.101 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.433 10.569 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.219 9.883 -0.999 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.020 11.906 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.022 12.367 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.493 12.331 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.133 9.727 -3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.566 10.119 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.403 8.608 -2.036 1.00 0.00 H new ATOM 1723 N VAL A 110 -3.313 6.719 0.032 1.00 0.00 N ATOM 1724 CA VAL A 110 -2.775 5.619 -0.784 1.00 0.00 C ATOM 1725 C VAL A 110 -3.396 5.730 -2.181 1.00 0.00 C ATOM 1726 O VAL A 110 -4.595 5.497 -2.299 1.00 0.00 O ATOM 1727 CB VAL A 110 -3.108 4.241 -0.159 1.00 0.00 C ATOM 1728 CG1 VAL A 110 -2.556 3.097 -1.001 1.00 0.00 C ATOM 1729 CG2 VAL A 110 -2.595 4.119 1.288 1.00 0.00 C ATOM 0 H VAL A 110 -4.234 6.512 0.418 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.689 5.696 -0.835 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.196 4.170 -0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.808 2.146 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.992 3.137 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.472 3.189 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -2.852 3.136 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -1.512 4.244 1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -3.057 4.890 1.904 1.00 0.00 H new ATOM 1739 N ASP A 111 -2.644 6.077 -3.231 1.00 0.00 N ATOM 1740 CA ASP A 111 -3.059 5.952 -4.623 1.00 0.00 C ATOM 1741 C ASP A 111 -2.385 4.718 -5.228 1.00 0.00 C ATOM 1742 O ASP A 111 -1.162 4.617 -5.240 1.00 0.00 O ATOM 1743 CB ASP A 111 -2.797 7.255 -5.405 1.00 0.00 C ATOM 1744 CG ASP A 111 -1.335 7.626 -5.696 1.00 0.00 C ATOM 1745 OD1 ASP A 111 -0.740 8.381 -4.890 1.00 0.00 O ATOM 1746 OD2 ASP A 111 -0.836 7.265 -6.786 1.00 0.00 O ATOM 0 H ASP A 111 -1.705 6.462 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.137 5.802 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.323 7.187 -6.357 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -3.248 8.077 -4.850 1.00 0.00 H new ATOM 1751 N VAL A 112 -3.177 3.755 -5.700 1.00 0.00 N ATOM 1752 CA VAL A 112 -2.653 2.618 -6.475 1.00 0.00 C ATOM 1753 C VAL A 112 -2.495 3.067 -7.923 1.00 0.00 C ATOM 1754 O VAL A 112 -3.408 3.664 -8.493 1.00 0.00 O ATOM 1755 CB VAL A 112 -3.596 1.409 -6.425 1.00 0.00 C ATOM 1756 CG1 VAL A 112 -3.204 0.266 -7.379 1.00 0.00 C ATOM 1757 CG2 VAL A 112 -3.727 0.817 -5.023 1.00 0.00 C ATOM 0 H VAL A 112 -4.187 3.735 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.700 2.311 -6.045 1.00 0.00 H new ATOM 0 HB VAL A 112 -4.550 1.825 -6.748 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -3.920 -0.550 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.206 0.632 -8.406 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -2.207 -0.094 -7.125 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -4.406 -0.035 -5.050 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.748 0.489 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -4.120 1.573 -4.344 1.00 0.00 H new ATOM 1767 N VAL A 113 -1.362 2.708 -8.523 1.00 0.00 N ATOM 1768 CA VAL A 113 -1.110 2.851 -9.959 1.00 0.00 C ATOM 1769 C VAL A 113 -0.956 1.436 -10.535 1.00 0.00 C ATOM 1770 O VAL A 113 0.012 0.756 -10.183 1.00 0.00 O ATOM 1771 CB VAL A 113 0.125 3.746 -10.206 1.00 0.00 C ATOM 1772 CG1 VAL A 113 0.600 3.695 -11.670 1.00 0.00 C ATOM 1773 CG2 VAL A 113 -0.192 5.205 -9.849 1.00 0.00 C ATOM 0 H VAL A 113 -0.576 2.301 -8.016 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.936 3.351 -10.465 1.00 0.00 H new ATOM 0 HB VAL A 113 0.921 3.360 -9.569 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.470 4.340 -11.793 1.00 0.00 H new ATOM 0 HG12 VAL A 113 0.868 2.671 -11.930 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.201 4.038 -12.325 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.688 5.823 -10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -1.017 5.560 -10.467 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.473 5.270 -8.798 1.00 0.00 H new ATOM 1783 N PRO A 114 -1.905 0.953 -11.363 1.00 0.00 N ATOM 1784 CA PRO A 114 -1.828 -0.367 -11.974 1.00 0.00 C ATOM 1785 C PRO A 114 -0.827 -0.343 -13.133 1.00 0.00 C ATOM 1786 O PRO A 114 -0.854 0.560 -13.970 1.00 0.00 O ATOM 1787 CB PRO A 114 -3.248 -0.689 -12.447 1.00 0.00 C ATOM 1788 CG PRO A 114 -3.840 0.686 -12.743 1.00 0.00 C ATOM 1789 CD PRO A 114 -3.161 1.601 -11.727 1.00 0.00 C ATOM 0 HA PRO A 114 -1.477 -1.131 -11.280 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.243 -1.324 -13.333 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -3.817 -1.216 -11.681 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.631 1.000 -13.766 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -4.923 0.689 -12.623 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.980 2.588 -12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.793 1.744 -10.850 1.00 0.00 H new ATOM 1797 N VAL A 115 0.053 -1.344 -13.173 1.00 0.00 N ATOM 1798 CA VAL A 115 1.078 -1.499 -14.222 1.00 0.00 C ATOM 1799 C VAL A 115 0.705 -2.661 -15.142 1.00 0.00 C ATOM 1800 O VAL A 115 0.559 -3.795 -14.683 1.00 0.00 O ATOM 1801 CB VAL A 115 2.480 -1.729 -13.613 1.00 0.00 C ATOM 1802 CG1 VAL A 115 3.566 -1.927 -14.683 1.00 0.00 C ATOM 1803 CG2 VAL A 115 2.887 -0.556 -12.710 1.00 0.00 C ATOM 0 H VAL A 115 0.080 -2.083 -12.471 1.00 0.00 H new ATOM 0 HA VAL A 115 1.115 -0.576 -14.800 1.00 0.00 H new ATOM 0 HB VAL A 115 2.405 -2.645 -13.027 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.530 -2.084 -14.199 1.00 0.00 H new ATOM 0 HG12 VAL A 115 3.321 -2.796 -15.294 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.619 -1.041 -15.316 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.877 -0.743 -12.294 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.907 0.364 -13.295 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.166 -0.454 -11.899 1.00 0.00 H new ATOM 1813 N LYS A 116 0.598 -2.387 -16.447 1.00 0.00 N ATOM 1814 CA LYS A 116 0.440 -3.415 -17.485 1.00 0.00 C ATOM 1815 C LYS A 116 1.776 -3.893 -18.073 1.00 0.00 C ATOM 1816 O LYS A 116 2.772 -3.167 -18.091 1.00 0.00 O ATOM 1817 CB LYS A 116 -0.497 -2.936 -18.607 1.00 0.00 C ATOM 1818 CG LYS A 116 -1.942 -2.797 -18.117 1.00 0.00 C ATOM 1819 CD LYS A 116 -2.891 -2.424 -19.264 1.00 0.00 C ATOM 1820 CE LYS A 116 -4.294 -2.956 -18.942 1.00 0.00 C ATOM 1821 NZ LYS A 116 -5.265 -2.657 -20.032 1.00 0.00 N ATOM 0 H LYS A 116 0.619 -1.437 -16.817 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.012 -4.273 -16.987 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.148 -1.976 -18.988 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -0.460 -3.641 -19.438 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -2.266 -3.735 -17.666 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.992 -2.035 -17.339 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.919 -1.342 -19.393 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.533 -2.848 -20.202 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -4.246 -4.033 -18.784 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.646 -2.512 -18.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -6.200 -3.033 -19.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -5.330 -1.628 -20.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -4.943 -3.102 -20.915 1.00 0.00 H new ATOM 1835 N ASN A 117 1.769 -5.130 -18.580 1.00 0.00 N ATOM 1836 CA ASN A 117 2.889 -5.730 -19.303 1.00 0.00 C ATOM 1837 C ASN A 117 2.746 -5.501 -20.817 1.00 0.00 C ATOM 1838 O ASN A 117 1.808 -4.853 -21.282 1.00 0.00 O ATOM 1839 CB ASN A 117 3.024 -7.217 -18.913 1.00 0.00 C ATOM 1840 CG ASN A 117 2.078 -8.159 -19.649 1.00 0.00 C ATOM 1841 OD1 ASN A 117 2.491 -8.856 -20.561 1.00 0.00 O ATOM 1842 ND2 ASN A 117 0.797 -8.176 -19.332 1.00 0.00 N ATOM 0 H ASN A 117 0.966 -5.753 -18.496 1.00 0.00 H new ATOM 0 HA ASN A 117 3.821 -5.242 -19.017 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.050 -7.535 -19.100 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.850 -7.314 -17.841 1.00 0.00 H new ATOM 0 HD21 ASN A 117 0.151 -8.772 -19.850 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.453 -7.593 -18.569 1.00 0.00 H new ATOM 1849 N GLU A 118 3.650 -6.100 -21.586 1.00 0.00 N ATOM 1850 CA GLU A 118 3.661 -5.997 -23.058 1.00 0.00 C ATOM 1851 C GLU A 118 2.451 -6.656 -23.757 1.00 0.00 C ATOM 1852 O GLU A 118 2.144 -6.310 -24.899 1.00 0.00 O ATOM 1853 CB GLU A 118 4.977 -6.535 -23.633 1.00 0.00 C ATOM 1854 CG GLU A 118 5.355 -7.952 -23.185 1.00 0.00 C ATOM 1855 CD GLU A 118 6.593 -8.475 -23.937 1.00 0.00 C ATOM 1856 OE1 GLU A 118 7.480 -7.671 -24.310 1.00 0.00 O ATOM 1857 OE2 GLU A 118 6.688 -9.709 -24.152 1.00 0.00 O ATOM 0 H GLU A 118 4.404 -6.676 -21.212 1.00 0.00 H new ATOM 0 HA GLU A 118 3.576 -4.932 -23.272 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.912 -6.520 -24.721 1.00 0.00 H new ATOM 0 HB3 GLU A 118 5.782 -5.856 -23.352 1.00 0.00 H new ATOM 0 HG2 GLU A 118 5.552 -7.954 -22.113 1.00 0.00 H new ATOM 0 HG3 GLU A 118 4.514 -8.624 -23.356 1.00 0.00 H new ATOM 1864 N ASP A 119 1.730 -7.561 -23.084 1.00 0.00 N ATOM 1865 CA ASP A 119 0.493 -8.180 -23.590 1.00 0.00 C ATOM 1866 C ASP A 119 -0.759 -7.319 -23.302 1.00 0.00 C ATOM 1867 O ASP A 119 -1.861 -7.644 -23.749 1.00 0.00 O ATOM 1868 CB ASP A 119 0.362 -9.587 -22.979 1.00 0.00 C ATOM 1869 CG ASP A 119 -0.734 -10.434 -23.646 1.00 0.00 C ATOM 1870 OD1 ASP A 119 -0.637 -10.698 -24.869 1.00 0.00 O ATOM 1871 OD2 ASP A 119 -1.672 -10.872 -22.935 1.00 0.00 O ATOM 0 H ASP A 119 1.992 -7.891 -22.155 1.00 0.00 H new ATOM 0 HA ASP A 119 0.557 -8.254 -24.676 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.317 -10.105 -23.067 1.00 0.00 H new ATOM 0 HB3 ASP A 119 0.145 -9.496 -21.915 1.00 0.00 H new ATOM 1876 N GLY A 120 -0.595 -6.219 -22.550 1.00 0.00 N ATOM 1877 CA GLY A 120 -1.672 -5.285 -22.192 1.00 0.00 C ATOM 1878 C GLY A 120 -2.574 -5.767 -21.052 1.00 0.00 C ATOM 1879 O GLY A 120 -3.706 -5.296 -20.939 1.00 0.00 O ATOM 0 H GLY A 120 0.311 -5.949 -22.166 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -1.229 -4.330 -21.910 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -2.287 -5.103 -23.074 1.00 0.00 H new ATOM 1883 N ALA A 121 -2.084 -6.674 -20.199 1.00 0.00 N ATOM 1884 CA ALA A 121 -2.746 -7.138 -18.973 1.00 0.00 C ATOM 1885 C ALA A 121 -2.024 -6.571 -17.741 1.00 0.00 C ATOM 1886 O ALA A 121 -0.815 -6.344 -17.801 1.00 0.00 O ATOM 1887 CB ALA A 121 -2.758 -8.677 -18.961 1.00 0.00 C ATOM 0 H ALA A 121 -1.180 -7.123 -20.349 1.00 0.00 H new ATOM 0 HA ALA A 121 -3.776 -6.783 -18.945 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -3.248 -9.030 -18.054 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -3.301 -9.043 -19.832 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -1.734 -9.049 -18.988 1.00 0.00 H new ATOM 1893 N VAL A 122 -2.737 -6.351 -16.637 1.00 0.00 N ATOM 1894 CA VAL A 122 -2.166 -5.802 -15.387 1.00 0.00 C ATOM 1895 C VAL A 122 -1.427 -6.918 -14.637 1.00 0.00 C ATOM 1896 O VAL A 122 -2.011 -7.963 -14.355 1.00 0.00 O ATOM 1897 CB VAL A 122 -3.244 -5.143 -14.486 1.00 0.00 C ATOM 1898 CG1 VAL A 122 -2.665 -4.595 -13.170 1.00 0.00 C ATOM 1899 CG2 VAL A 122 -3.934 -3.977 -15.213 1.00 0.00 C ATOM 0 H VAL A 122 -3.736 -6.547 -16.575 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.463 -5.012 -15.651 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.958 -5.935 -14.259 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -3.464 -4.146 -12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.211 -5.409 -12.605 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.909 -3.841 -13.391 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.685 -3.533 -14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.192 -3.223 -15.478 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.415 -4.346 -16.119 1.00 0.00 H new ATOM 1909 N ILE A 123 -0.143 -6.695 -14.319 1.00 0.00 N ATOM 1910 CA ILE A 123 0.734 -7.707 -13.671 1.00 0.00 C ATOM 1911 C ILE A 123 1.396 -7.229 -12.372 1.00 0.00 C ATOM 1912 O ILE A 123 1.703 -8.046 -11.507 1.00 0.00 O ATOM 1913 CB ILE A 123 1.778 -8.280 -14.661 1.00 0.00 C ATOM 1914 CG1 ILE A 123 3.010 -7.389 -14.948 1.00 0.00 C ATOM 1915 CG2 ILE A 123 1.120 -8.752 -15.969 1.00 0.00 C ATOM 1916 CD1 ILE A 123 2.771 -5.964 -15.456 1.00 0.00 C ATOM 0 H ILE A 123 0.327 -5.808 -14.501 1.00 0.00 H new ATOM 0 HA ILE A 123 0.064 -8.514 -13.375 1.00 0.00 H new ATOM 0 HB ILE A 123 2.188 -9.138 -14.129 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.593 -7.321 -14.030 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.630 -7.904 -15.682 1.00 0.00 H new ATOM 0 HG21 ILE A 123 1.884 -9.148 -16.638 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.391 -9.532 -15.749 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.618 -7.911 -16.448 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.729 -5.467 -15.610 1.00 0.00 H new ATOM 0 HD12 ILE A 123 2.225 -6.001 -16.399 1.00 0.00 H new ATOM 0 HD13 ILE A 123 2.188 -5.409 -14.721 1.00 0.00 H new ATOM 1928 N MET A 124 1.570 -5.918 -12.197 1.00 0.00 N ATOM 1929 CA MET A 124 2.013 -5.288 -10.940 1.00 0.00 C ATOM 1930 C MET A 124 1.111 -4.118 -10.520 1.00 0.00 C ATOM 1931 O MET A 124 0.538 -3.419 -11.357 1.00 0.00 O ATOM 1932 CB MET A 124 3.468 -4.807 -11.077 1.00 0.00 C ATOM 1933 CG MET A 124 4.476 -5.962 -11.121 1.00 0.00 C ATOM 1934 SD MET A 124 6.135 -5.453 -11.639 1.00 0.00 S ATOM 1935 CE MET A 124 5.860 -5.295 -13.422 1.00 0.00 C ATOM 0 H MET A 124 1.404 -5.242 -12.942 1.00 0.00 H new ATOM 0 HA MET A 124 1.945 -6.045 -10.158 1.00 0.00 H new ATOM 0 HB2 MET A 124 3.565 -4.212 -11.985 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.709 -4.152 -10.240 1.00 0.00 H new ATOM 0 HG2 MET A 124 4.537 -6.419 -10.133 1.00 0.00 H new ATOM 0 HG3 MET A 124 4.109 -6.728 -11.804 1.00 0.00 H new ATOM 0 HE1 MET A 124 6.388 -4.417 -13.795 1.00 0.00 H new ATOM 0 HE2 MET A 124 6.233 -6.185 -13.928 1.00 0.00 H new ATOM 0 HE3 MET A 124 4.793 -5.187 -13.617 1.00 0.00 H new ATOM 1945 N PHE A 125 1.049 -3.870 -9.213 1.00 0.00 N ATOM 1946 CA PHE A 125 0.495 -2.655 -8.610 1.00 0.00 C ATOM 1947 C PHE A 125 1.620 -1.875 -7.936 1.00 0.00 C ATOM 1948 O PHE A 125 2.441 -2.447 -7.222 1.00 0.00 O ATOM 1949 CB PHE A 125 -0.588 -3.039 -7.590 1.00 0.00 C ATOM 1950 CG PHE A 125 -1.821 -3.652 -8.224 1.00 0.00 C ATOM 1951 CD1 PHE A 125 -2.669 -2.855 -9.016 1.00 0.00 C ATOM 1952 CD2 PHE A 125 -2.116 -5.014 -8.037 1.00 0.00 C ATOM 1953 CE1 PHE A 125 -3.798 -3.422 -9.631 1.00 0.00 C ATOM 1954 CE2 PHE A 125 -3.252 -5.577 -8.645 1.00 0.00 C ATOM 1955 CZ PHE A 125 -4.079 -4.785 -9.458 1.00 0.00 C ATOM 0 H PHE A 125 1.395 -4.532 -8.518 1.00 0.00 H new ATOM 0 HA PHE A 125 0.041 -2.027 -9.377 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -0.168 -3.745 -6.873 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -0.880 -2.151 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -2.451 -1.806 -9.151 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -1.470 -5.628 -7.426 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -4.449 -2.809 -10.236 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -3.489 -6.619 -8.487 1.00 0.00 H new ATOM 0 HZ PHE A 125 -4.933 -5.226 -9.951 1.00 0.00 H new ATOM 1965 N ILE A 126 1.636 -0.558 -8.139 1.00 0.00 N ATOM 1966 CA ILE A 126 2.460 0.370 -7.358 1.00 0.00 C ATOM 1967 C ILE A 126 1.510 1.047 -6.374 1.00 0.00 C ATOM 1968 O ILE A 126 0.552 1.682 -6.817 1.00 0.00 O ATOM 1969 CB ILE A 126 3.175 1.400 -8.265 1.00 0.00 C ATOM 1970 CG1 ILE A 126 3.955 0.731 -9.420 1.00 0.00 C ATOM 1971 CG2 ILE A 126 4.113 2.263 -7.399 1.00 0.00 C ATOM 1972 CD1 ILE A 126 4.490 1.720 -10.463 1.00 0.00 C ATOM 0 H ILE A 126 1.073 -0.099 -8.856 1.00 0.00 H new ATOM 0 HA ILE A 126 3.258 -0.156 -6.834 1.00 0.00 H new ATOM 0 HB ILE A 126 2.416 2.027 -8.732 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.791 0.170 -9.003 1.00 0.00 H new ATOM 0 HG13 ILE A 126 3.304 0.011 -9.916 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.622 2.992 -8.029 1.00 0.00 H new ATOM 0 HG22 ILE A 126 3.530 2.784 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 126 4.852 1.624 -6.915 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.025 1.175 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 126 3.658 2.264 -10.909 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.168 2.425 -9.982 1.00 0.00 H new ATOM 1984 N LEU A 127 1.741 0.898 -5.071 1.00 0.00 N ATOM 1985 CA LEU A 127 0.992 1.590 -4.022 1.00 0.00 C ATOM 1986 C LEU A 127 1.809 2.820 -3.657 1.00 0.00 C ATOM 1987 O LEU A 127 2.946 2.674 -3.211 1.00 0.00 O ATOM 1988 CB LEU A 127 0.828 0.673 -2.793 1.00 0.00 C ATOM 1989 CG LEU A 127 -0.333 -0.338 -2.815 1.00 0.00 C ATOM 1990 CD1 LEU A 127 -1.636 0.328 -2.397 1.00 0.00 C ATOM 1991 CD2 LEU A 127 -0.462 -1.092 -4.149 1.00 0.00 C ATOM 0 H LEU A 127 2.468 0.281 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.007 1.864 -4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 127 1.756 0.117 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.707 1.306 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.096 -1.106 -2.079 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -2.443 -0.405 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -1.534 0.724 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -1.866 1.142 -3.085 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.300 -1.787 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.635 -0.379 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.457 -1.645 -4.345 1.00 0.00 H new ATOM 2003 N ASN A 128 1.256 4.014 -3.858 1.00 0.00 N ATOM 2004 CA ASN A 128 1.975 5.262 -3.546 1.00 0.00 C ATOM 2005 C ASN A 128 1.337 5.979 -2.348 1.00 0.00 C ATOM 2006 O ASN A 128 0.124 6.175 -2.323 1.00 0.00 O ATOM 2007 CB ASN A 128 2.072 6.202 -4.753 1.00 0.00 C ATOM 2008 CG ASN A 128 2.301 5.512 -6.092 1.00 0.00 C ATOM 2009 OD1 ASN A 128 3.405 5.462 -6.616 1.00 0.00 O ATOM 2010 ND2 ASN A 128 1.251 4.982 -6.686 1.00 0.00 N ATOM 0 H ASN A 128 0.317 4.151 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 128 2.994 4.979 -3.281 1.00 0.00 H new ATOM 0 HB2 ASN A 128 1.153 6.785 -4.815 1.00 0.00 H new ATOM 0 HB3 ASN A 128 2.886 6.907 -4.581 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.354 4.524 -7.592 1.00 0.00 H new ATOM 0 HD22 ASN A 128 0.335 5.029 -6.240 1.00 0.00 H new ATOM 2017 N PHE A 129 2.154 6.351 -1.358 1.00 0.00 N ATOM 2018 CA PHE A 129 1.730 6.889 -0.061 1.00 0.00 C ATOM 2019 C PHE A 129 2.022 8.393 0.053 1.00 0.00 C ATOM 2020 O PHE A 129 3.117 8.838 -0.292 1.00 0.00 O ATOM 2021 CB PHE A 129 2.470 6.119 1.054 1.00 0.00 C ATOM 2022 CG PHE A 129 2.288 4.607 1.110 1.00 0.00 C ATOM 2023 CD1 PHE A 129 1.164 3.971 0.545 1.00 0.00 C ATOM 2024 CD2 PHE A 129 3.257 3.829 1.775 1.00 0.00 C ATOM 2025 CE1 PHE A 129 1.006 2.578 0.655 1.00 0.00 C ATOM 2026 CE2 PHE A 129 3.105 2.434 1.872 1.00 0.00 C ATOM 2027 CZ PHE A 129 1.978 1.809 1.314 1.00 0.00 C ATOM 0 H PHE A 129 3.168 6.283 -1.441 1.00 0.00 H new ATOM 0 HA PHE A 129 0.652 6.761 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.536 6.325 0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 129 2.154 6.531 2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.420 4.557 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 129 4.121 4.307 2.213 1.00 0.00 H new ATOM 0 HE1 PHE A 129 0.135 2.099 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 129 3.856 1.843 2.376 1.00 0.00 H new ATOM 0 HZ PHE A 129 1.859 0.738 1.392 1.00 0.00 H new ATOM 2037 N GLU A 130 1.085 9.169 0.608 1.00 0.00 N ATOM 2038 CA GLU A 130 1.266 10.586 0.936 1.00 0.00 C ATOM 2039 C GLU A 130 0.507 10.921 2.223 1.00 0.00 C ATOM 2040 O GLU A 130 -0.716 10.834 2.263 1.00 0.00 O ATOM 2041 CB GLU A 130 0.772 11.476 -0.226 1.00 0.00 C ATOM 2042 CG GLU A 130 1.916 11.971 -1.121 1.00 0.00 C ATOM 2043 CD GLU A 130 2.807 12.996 -0.405 1.00 0.00 C ATOM 2044 OE1 GLU A 130 2.461 14.201 -0.393 1.00 0.00 O ATOM 2045 OE2 GLU A 130 3.859 12.603 0.157 1.00 0.00 O ATOM 0 H GLU A 130 0.157 8.820 0.847 1.00 0.00 H new ATOM 0 HA GLU A 130 2.328 10.780 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.060 10.914 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.237 12.334 0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.522 11.122 -1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 130 1.501 12.420 -2.024 1.00 0.00 H new ATOM 2052 N VAL A 131 1.209 11.326 3.282 1.00 0.00 N ATOM 2053 CA VAL A 131 0.569 11.769 4.535 1.00 0.00 C ATOM 2054 C VAL A 131 -0.203 13.074 4.294 1.00 0.00 C ATOM 2055 O VAL A 131 0.381 14.101 3.948 1.00 0.00 O ATOM 2056 CB VAL A 131 1.548 11.838 5.728 1.00 0.00 C ATOM 2057 CG1 VAL A 131 2.873 12.534 5.404 1.00 0.00 C ATOM 2058 CG2 VAL A 131 0.903 12.483 6.966 1.00 0.00 C ATOM 0 H VAL A 131 2.228 11.359 3.303 1.00 0.00 H new ATOM 0 HA VAL A 131 -0.153 11.009 4.834 1.00 0.00 H new ATOM 0 HB VAL A 131 1.784 10.798 5.952 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.506 12.543 6.291 1.00 0.00 H new ATOM 0 HG12 VAL A 131 3.380 11.997 4.602 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.678 13.559 5.088 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.627 12.511 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.588 13.498 6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 131 0.036 11.897 7.271 1.00 0.00 H new ATOM 2068 N VAL A 132 -1.527 12.999 4.452 1.00 0.00 N ATOM 2069 CA VAL A 132 -2.481 14.071 4.106 1.00 0.00 C ATOM 2070 C VAL A 132 -2.935 14.900 5.320 1.00 0.00 C ATOM 2071 O VAL A 132 -3.219 16.086 5.156 1.00 0.00 O ATOM 2072 CB VAL A 132 -3.670 13.509 3.288 1.00 0.00 C ATOM 2073 CG1 VAL A 132 -4.668 12.675 4.084 1.00 0.00 C ATOM 2074 CG2 VAL A 132 -4.400 14.605 2.498 1.00 0.00 C ATOM 0 H VAL A 132 -1.984 12.171 4.834 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.947 14.777 3.470 1.00 0.00 H new ATOM 0 HB VAL A 132 -3.198 12.818 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -5.462 12.328 3.422 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -4.158 11.816 4.520 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -5.099 13.284 4.879 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -5.226 14.163 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -4.788 15.354 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.705 15.077 1.804 1.00 0.00 H new ATOM 2084 N MET A 133 -2.929 14.324 6.537 1.00 0.00 N ATOM 2085 CA MET A 133 -3.086 15.061 7.809 1.00 0.00 C ATOM 2086 C MET A 133 -2.628 14.254 9.034 1.00 0.00 C ATOM 2087 O MET A 133 -2.730 13.031 9.043 1.00 0.00 O ATOM 2088 CB MET A 133 -4.512 15.626 7.996 1.00 0.00 C ATOM 2089 CG MET A 133 -5.605 14.555 8.072 1.00 0.00 C ATOM 2090 SD MET A 133 -7.288 15.176 8.334 1.00 0.00 S ATOM 2091 CE MET A 133 -7.621 15.864 6.691 1.00 0.00 C ATOM 0 H MET A 133 -2.813 13.319 6.668 1.00 0.00 H new ATOM 0 HA MET A 133 -2.413 15.915 7.734 1.00 0.00 H new ATOM 0 HB2 MET A 133 -4.538 16.222 8.908 1.00 0.00 H new ATOM 0 HB3 MET A 133 -4.736 16.300 7.169 1.00 0.00 H new ATOM 0 HG2 MET A 133 -5.589 13.978 7.147 1.00 0.00 H new ATOM 0 HG3 MET A 133 -5.360 13.867 8.881 1.00 0.00 H new ATOM 0 HE1 MET A 133 -8.648 16.228 6.650 1.00 0.00 H new ATOM 0 HE2 MET A 133 -6.935 16.689 6.496 1.00 0.00 H new ATOM 0 HE3 MET A 133 -7.481 15.090 5.937 1.00 0.00 H new ATOM 2101 N GLU A 134 -2.143 14.920 10.083 1.00 0.00 N ATOM 2102 CA GLU A 134 -1.723 14.275 11.337 1.00 0.00 C ATOM 2103 C GLU A 134 -2.900 14.162 12.321 1.00 0.00 C ATOM 2104 O GLU A 134 -3.664 15.119 12.498 1.00 0.00 O ATOM 2105 CB GLU A 134 -0.560 15.072 11.948 1.00 0.00 C ATOM 2106 CG GLU A 134 0.067 14.387 13.167 1.00 0.00 C ATOM 2107 CD GLU A 134 1.234 15.219 13.718 1.00 0.00 C ATOM 2108 OE1 GLU A 134 2.391 15.021 13.276 1.00 0.00 O ATOM 2109 OE2 GLU A 134 1.005 16.082 14.600 1.00 0.00 O ATOM 0 H GLU A 134 -2.028 15.933 10.090 1.00 0.00 H new ATOM 0 HA GLU A 134 -1.386 13.260 11.125 1.00 0.00 H new ATOM 0 HB2 GLU A 134 0.208 15.222 11.189 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.918 16.060 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -0.687 14.252 13.942 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.421 13.394 12.890 1.00 0.00 H new ATOM 2116 N LYS A 135 -3.032 12.995 12.971 1.00 0.00 N ATOM 2117 CA LYS A 135 -4.034 12.709 14.015 1.00 0.00 C ATOM 2118 C LYS A 135 -3.432 12.706 15.433 1.00 0.00 C ATOM 2119 O LYS A 135 -3.673 13.694 16.167 1.00 0.00 O ATOM 2120 CB LYS A 135 -4.755 11.391 13.684 1.00 0.00 C ATOM 2121 CG LYS A 135 -5.615 11.473 12.408 1.00 0.00 C ATOM 2122 CD LYS A 135 -6.760 12.509 12.449 1.00 0.00 C ATOM 2123 CE LYS A 135 -7.713 12.317 13.639 1.00 0.00 C ATOM 2124 NZ LYS A 135 -8.824 13.312 13.622 1.00 0.00 N ATOM 2125 OXT LYS A 135 -2.750 11.733 15.827 1.00 0.00 O ATOM 0 H LYS A 135 -2.426 12.197 12.780 1.00 0.00 H new ATOM 0 HA LYS A 135 -4.765 13.517 14.018 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -4.015 10.600 13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -5.390 11.111 14.525 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -4.964 11.708 11.566 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -6.044 10.490 12.215 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -6.333 13.511 12.493 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -7.330 12.446 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -8.127 11.309 13.615 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -7.155 12.410 14.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 -9.446 13.151 14.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -8.430 14.273 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -9.372 13.206 12.744 1.00 0.00 H new TER 2139 LYS A 135