USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 953 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 101 ASN : amide:sc= 1.2 K(o=1.2,f=-5!) USER MOD Set 1.2: A 104 ASN : amide:sc= 0 K(o=1.2,f=-4.5!) USER MOD Set 2.1: A 29 LYS NZ :NH3+ -157:sc= 1.21 (180deg=0.401) USER MOD Set 2.2: A 38 TYR OH : rot 149:sc= 1.25 USER MOD Set 3.1: A 18 HIS : no HD1:sc= 1.07 K(o=2.1,f=-4.6!) USER MOD Set 3.2: A 81 TYR OH : rot 48:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 1.16 K(o=1.2,f=-0.12) USER MOD Single : A 14 CYS SG : rot 62:sc= -1.29! USER MOD Single : A 22 MET CE :methyl -135:sc= -0.24 (180deg=-1.31) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 99:sc= 1.26 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -172:sc= -0.485 (180deg=-0.609) USER MOD Single : A 39 THR OG1 : rot 2:sc= 0.397 USER MOD Single : A 40 SER OG : rot 180:sc= -1.24! USER MOD Single : A 43 ASN : amide:sc= 1.08 K(o=1.1,f=-0.024) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 53 THR OG1 : rot 11:sc= 0.987 USER MOD Single : A 54 LYS NZ :NH3+ -111:sc= 1.23 (180deg=-0.492) USER MOD Single : A 57 LYS NZ :NH3+ -177:sc= 0.955 (180deg=0.795) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.26 F(o=-1,f=-0.26) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 84:sc= -2.76 USER MOD Single : A 80 HIS : no HE2:sc= 0.752 K(o=0.75,f=-5.3!) USER MOD Single : A 82 GLN : amide:sc= -1.56 K(o=-1.6,f=-7.7!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.135 USER MOD Single : A 87 SER OG : rot 180:sc= -1.33! USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 158:sc= 0.995 (180deg=-0.273) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -100:sc= 1.18 (180deg=0.226) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.533 19.576 5.132 1.00 0.00 N ATOM 2 CA MET A 1 -15.119 18.156 5.054 1.00 0.00 C ATOM 3 C MET A 1 -14.438 17.872 3.722 1.00 0.00 C ATOM 4 O MET A 1 -15.104 17.647 2.708 1.00 0.00 O ATOM 5 CB MET A 1 -16.334 17.238 5.219 1.00 0.00 C ATOM 6 CG MET A 1 -16.001 15.754 5.194 1.00 0.00 C ATOM 7 SD MET A 1 -15.078 15.218 6.646 1.00 0.00 S ATOM 8 CE MET A 1 -14.934 13.463 6.318 1.00 0.00 C ATOM 0 H1 MET A 1 -15.996 19.753 6.046 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.696 20.187 5.043 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.198 19.786 4.361 1.00 0.00 H new ATOM 0 HA MET A 1 -14.413 17.961 5.861 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.827 17.473 6.162 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.048 17.452 4.424 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.925 15.180 5.125 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.421 15.532 4.298 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.385 12.985 7.129 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.929 13.024 6.245 1.00 0.00 H new ATOM 0 HE3 MET A 1 -14.401 13.311 5.380 1.00 0.00 H new ATOM 18 N VAL A 2 -13.115 17.891 3.713 1.00 0.00 N ATOM 19 CA VAL A 2 -12.374 17.630 2.492 1.00 0.00 C ATOM 20 C VAL A 2 -11.722 16.259 2.522 1.00 0.00 C ATOM 21 O VAL A 2 -10.742 16.029 3.225 1.00 0.00 O ATOM 22 CB VAL A 2 -11.301 18.692 2.209 1.00 0.00 C ATOM 23 CG1 VAL A 2 -11.914 19.900 1.524 1.00 0.00 C ATOM 24 CG2 VAL A 2 -10.579 19.104 3.488 1.00 0.00 C ATOM 0 H VAL A 2 -12.537 18.083 4.531 1.00 0.00 H new ATOM 0 HA VAL A 2 -13.108 17.668 1.688 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.563 18.252 1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.139 20.642 1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -12.365 19.593 0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.679 20.334 2.168 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.826 19.857 3.254 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.298 19.518 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.096 18.233 3.930 1.00 0.00 H new ATOM 34 N ASP A 3 -12.278 15.358 1.744 1.00 0.00 N ATOM 35 CA ASP A 3 -11.771 13.996 1.652 1.00 0.00 C ATOM 36 C ASP A 3 -11.350 13.708 0.225 1.00 0.00 C ATOM 37 O ASP A 3 -11.096 12.571 -0.163 1.00 0.00 O ATOM 38 CB ASP A 3 -12.833 12.993 2.112 1.00 0.00 C ATOM 39 CG ASP A 3 -14.040 12.954 1.191 1.00 0.00 C ATOM 40 OD1 ASP A 3 -14.227 11.938 0.490 1.00 0.00 O ATOM 41 OD2 ASP A 3 -14.804 13.943 1.164 1.00 0.00 O ATOM 0 H ASP A 3 -13.092 15.542 1.157 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.906 13.894 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.389 11.999 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.158 13.251 3.120 1.00 0.00 H new ATOM 46 N LEU A 4 -11.282 14.770 -0.547 1.00 0.00 N ATOM 47 CA LEU A 4 -10.903 14.688 -1.948 1.00 0.00 C ATOM 48 C LEU A 4 -9.482 15.193 -2.166 1.00 0.00 C ATOM 49 O LEU A 4 -8.938 15.099 -3.268 1.00 0.00 O ATOM 50 CB LEU A 4 -11.885 15.512 -2.785 1.00 0.00 C ATOM 51 CG LEU A 4 -12.167 16.920 -2.247 1.00 0.00 C ATOM 52 CD1 LEU A 4 -11.361 17.955 -3.009 1.00 0.00 C ATOM 53 CD2 LEU A 4 -13.650 17.234 -2.319 1.00 0.00 C ATOM 0 H LEU A 4 -11.487 15.716 -0.225 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.937 13.643 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -11.493 15.598 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.828 14.969 -2.852 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.863 16.954 -1.201 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.575 18.947 -2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.298 17.742 -2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.630 17.921 -4.065 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.829 18.237 -1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.984 17.180 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -14.204 16.511 -1.721 1.00 0.00 H new ATOM 65 N GLU A 5 -8.875 15.719 -1.112 1.00 0.00 N ATOM 66 CA GLU A 5 -7.532 16.278 -1.224 1.00 0.00 C ATOM 67 C GLU A 5 -6.729 16.175 0.073 1.00 0.00 C ATOM 68 O GLU A 5 -5.511 16.350 0.064 1.00 0.00 O ATOM 69 CB GLU A 5 -7.635 17.757 -1.603 1.00 0.00 C ATOM 70 CG GLU A 5 -8.056 18.641 -0.430 1.00 0.00 C ATOM 71 CD GLU A 5 -8.347 20.074 -0.831 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.746 20.308 -1.989 1.00 0.00 O ATOM 73 OE2 GLU A 5 -8.180 20.981 0.017 1.00 0.00 O ATOM 0 H GLU A 5 -9.284 15.771 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.012 15.698 -1.986 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.672 18.098 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.354 17.870 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.944 18.214 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.267 18.635 0.322 1.00 0.00 H new ATOM 80 N GLN A 6 -7.384 15.874 1.184 1.00 0.00 N ATOM 81 CA GLN A 6 -6.689 15.833 2.451 1.00 0.00 C ATOM 82 C GLN A 6 -6.911 14.499 3.119 1.00 0.00 C ATOM 83 O GLN A 6 -7.880 13.820 2.803 1.00 0.00 O ATOM 84 CB GLN A 6 -7.180 16.966 3.352 1.00 0.00 C ATOM 85 CG GLN A 6 -6.174 17.401 4.402 1.00 0.00 C ATOM 86 CD GLN A 6 -6.785 18.333 5.426 1.00 0.00 C ATOM 87 OE1 GLN A 6 -6.805 19.549 5.244 1.00 0.00 O ATOM 88 NE2 GLN A 6 -7.290 17.769 6.510 1.00 0.00 N ATOM 0 H GLN A 6 -8.380 15.658 1.230 1.00 0.00 H new ATOM 0 HA GLN A 6 -5.621 15.962 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -7.436 17.825 2.731 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.096 16.649 3.851 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.774 16.521 4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.335 17.898 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.253 16.756 6.622 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.717 18.347 7.234 1.00 0.00 H new ATOM 97 N GLU A 7 -5.987 14.148 4.021 1.00 0.00 N ATOM 98 CA GLU A 7 -5.996 12.891 4.798 1.00 0.00 C ATOM 99 C GLU A 7 -5.296 11.807 4.004 1.00 0.00 C ATOM 100 O GLU A 7 -4.949 10.749 4.523 1.00 0.00 O ATOM 101 CB GLU A 7 -7.406 12.450 5.201 1.00 0.00 C ATOM 102 CG GLU A 7 -8.258 13.593 5.713 1.00 0.00 C ATOM 103 CD GLU A 7 -7.700 14.236 6.969 1.00 0.00 C ATOM 104 OE1 GLU A 7 -6.845 15.142 6.849 1.00 0.00 O ATOM 105 OE2 GLU A 7 -8.102 13.843 8.079 1.00 0.00 O ATOM 0 H GLU A 7 -5.188 14.743 4.241 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.460 13.072 5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.898 11.994 4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.335 11.683 5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.347 14.350 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.264 13.226 5.916 1.00 0.00 H new ATOM 112 N PHE A 8 -5.042 12.133 2.750 1.00 0.00 N ATOM 113 CA PHE A 8 -4.361 11.266 1.820 1.00 0.00 C ATOM 114 C PHE A 8 -3.081 11.985 1.522 1.00 0.00 C ATOM 115 O PHE A 8 -2.798 12.362 0.390 1.00 0.00 O ATOM 116 CB PHE A 8 -5.133 11.074 0.508 1.00 0.00 C ATOM 117 CG PHE A 8 -6.587 10.703 0.642 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.061 9.488 0.171 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.485 11.586 1.200 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.404 9.173 0.258 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.821 11.276 1.300 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.284 10.075 0.829 1.00 0.00 C ATOM 0 H PHE A 8 -5.312 13.030 2.345 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.235 10.271 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.066 11.997 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.634 10.299 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.374 8.780 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -7.133 12.539 1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -8.765 8.227 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.506 11.979 1.750 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.334 9.833 0.903 1.00 0.00 H new ATOM 132 N ALA A 9 -2.330 12.226 2.566 1.00 0.00 N ATOM 133 CA ALA A 9 -1.135 12.975 2.444 1.00 0.00 C ATOM 134 C ALA A 9 -0.087 12.502 3.422 1.00 0.00 C ATOM 135 O ALA A 9 -0.130 11.375 3.915 1.00 0.00 O ATOM 136 CB ALA A 9 -1.470 14.443 2.662 1.00 0.00 C ATOM 0 H ALA A 9 -2.539 11.906 3.512 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.715 12.836 1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.563 15.040 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.193 14.766 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.895 14.575 3.657 1.00 0.00 H new ATOM 142 N LEU A 10 0.834 13.392 3.690 1.00 0.00 N ATOM 143 CA LEU A 10 1.968 13.129 4.557 1.00 0.00 C ATOM 144 C LEU A 10 1.571 12.613 5.942 1.00 0.00 C ATOM 145 O LEU A 10 1.085 13.370 6.784 1.00 0.00 O ATOM 146 CB LEU A 10 2.793 14.396 4.702 1.00 0.00 C ATOM 147 CG LEU A 10 3.797 14.668 3.573 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.097 15.268 2.365 1.00 0.00 C ATOM 149 CD2 LEU A 10 4.905 15.592 4.055 1.00 0.00 C ATOM 0 H LEU A 10 0.822 14.338 3.308 1.00 0.00 H new ATOM 0 HA LEU A 10 2.549 12.336 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.113 15.245 4.771 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.338 14.347 5.645 1.00 0.00 H new ATOM 0 HG LEU A 10 4.242 13.718 3.277 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.826 15.453 1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.339 14.574 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.623 16.208 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.607 15.773 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.474 16.539 4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.429 15.127 4.890 1.00 0.00 H new ATOM 161 N GLY A 11 1.781 11.315 6.158 1.00 0.00 N ATOM 162 CA GLY A 11 1.483 10.700 7.436 1.00 0.00 C ATOM 163 C GLY A 11 0.004 10.660 7.711 1.00 0.00 C ATOM 164 O GLY A 11 -0.424 10.486 8.853 1.00 0.00 O ATOM 0 H GLY A 11 2.157 10.674 5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.882 9.686 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.985 11.253 8.230 1.00 0.00 H new ATOM 168 N GLY A 12 -0.776 10.795 6.651 1.00 0.00 N ATOM 169 CA GLY A 12 -2.209 10.790 6.780 1.00 0.00 C ATOM 170 C GLY A 12 -2.746 9.414 7.067 1.00 0.00 C ATOM 171 O GLY A 12 -2.219 8.416 6.568 1.00 0.00 O ATOM 0 H GLY A 12 -0.434 10.909 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.503 11.468 7.581 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.657 11.169 5.861 1.00 0.00 H new ATOM 175 N ARG A 13 -3.773 9.366 7.889 1.00 0.00 N ATOM 176 CA ARG A 13 -4.415 8.118 8.239 1.00 0.00 C ATOM 177 C ARG A 13 -5.430 7.790 7.161 1.00 0.00 C ATOM 178 O ARG A 13 -6.404 8.518 6.972 1.00 0.00 O ATOM 179 CB ARG A 13 -5.092 8.226 9.609 1.00 0.00 C ATOM 180 CG ARG A 13 -4.453 7.356 10.682 1.00 0.00 C ATOM 181 CD ARG A 13 -3.061 7.850 11.050 1.00 0.00 C ATOM 182 NE ARG A 13 -2.865 7.923 12.501 1.00 0.00 N ATOM 183 CZ ARG A 13 -1.767 7.506 13.136 1.00 0.00 C ATOM 184 NH1 ARG A 13 -0.784 6.920 12.461 1.00 0.00 N ATOM 185 NH2 ARG A 13 -1.673 7.652 14.450 1.00 0.00 N ATOM 0 H ARG A 13 -4.184 10.188 8.331 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.674 7.322 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.067 9.266 9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.141 7.949 9.508 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.084 7.351 11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.392 6.327 10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.315 7.184 10.617 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.900 8.836 10.613 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.618 8.319 13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.866 6.787 11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.053 6.603 12.951 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.437 8.081 14.971 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.836 7.335 14.940 1.00 0.00 H new ATOM 199 N CYS A 14 -5.194 6.714 6.440 1.00 0.00 N ATOM 200 CA CYS A 14 -6.081 6.330 5.363 1.00 0.00 C ATOM 201 C CYS A 14 -6.413 4.853 5.413 1.00 0.00 C ATOM 202 O CYS A 14 -5.744 4.067 6.083 1.00 0.00 O ATOM 203 CB CYS A 14 -5.443 6.662 4.017 1.00 0.00 C ATOM 204 SG CYS A 14 -5.866 8.300 3.384 1.00 0.00 S ATOM 0 H CYS A 14 -4.398 6.092 6.580 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.007 6.892 5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.360 6.590 4.113 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.749 5.912 3.287 1.00 0.00 H new ATOM 0 HG CYS A 14 -5.440 9.208 4.211 1.00 0.00 H new ATOM 210 N LEU A 15 -7.476 4.502 4.729 1.00 0.00 N ATOM 211 CA LEU A 15 -7.901 3.128 4.623 1.00 0.00 C ATOM 212 C LEU A 15 -7.578 2.677 3.221 1.00 0.00 C ATOM 213 O LEU A 15 -7.594 3.489 2.303 1.00 0.00 O ATOM 214 CB LEU A 15 -9.396 2.998 4.905 1.00 0.00 C ATOM 215 CG LEU A 15 -9.789 3.143 6.376 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.297 3.197 6.519 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.230 1.997 7.199 1.00 0.00 C ATOM 0 H LEU A 15 -8.071 5.163 4.230 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.387 2.507 5.357 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.927 3.753 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.735 2.026 4.548 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.366 4.076 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.559 3.300 7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.685 4.051 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.733 2.279 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.522 2.121 8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.623 1.053 6.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.143 1.993 7.125 1.00 0.00 H new ATOM 229 N ALA A 16 -7.274 1.420 3.029 1.00 0.00 N ATOM 230 CA ALA A 16 -6.934 0.965 1.703 1.00 0.00 C ATOM 231 C ALA A 16 -7.576 -0.367 1.425 1.00 0.00 C ATOM 232 O ALA A 16 -7.698 -1.207 2.316 1.00 0.00 O ATOM 233 CB ALA A 16 -5.426 0.918 1.524 1.00 0.00 C ATOM 0 H ALA A 16 -7.254 0.705 3.756 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.324 1.675 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.190 0.572 0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.011 1.915 1.672 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.994 0.233 2.254 1.00 0.00 H new ATOM 239 N PHE A 17 -8.010 -0.540 0.197 1.00 0.00 N ATOM 240 CA PHE A 17 -8.665 -1.761 -0.194 1.00 0.00 C ATOM 241 C PHE A 17 -7.658 -2.800 -0.643 1.00 0.00 C ATOM 242 O PHE A 17 -7.115 -2.730 -1.747 1.00 0.00 O ATOM 243 CB PHE A 17 -9.684 -1.489 -1.296 1.00 0.00 C ATOM 244 CG PHE A 17 -11.075 -1.313 -0.771 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.613 -0.048 -0.586 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.847 -2.420 -0.463 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.901 0.104 -0.107 1.00 0.00 C ATOM 248 CE2 PHE A 17 -13.131 -2.275 0.016 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.661 -1.011 0.192 1.00 0.00 C ATOM 0 H PHE A 17 -7.920 0.152 -0.547 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.190 -2.157 0.675 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.391 -0.592 -1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.671 -2.314 -2.008 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.021 0.825 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.438 -3.410 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.313 1.093 0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.722 -3.147 0.253 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.669 -0.894 0.563 1.00 0.00 H new ATOM 259 N HIS A 18 -7.408 -3.748 0.235 1.00 0.00 N ATOM 260 CA HIS A 18 -6.501 -4.838 -0.046 1.00 0.00 C ATOM 261 C HIS A 18 -7.304 -6.119 -0.028 1.00 0.00 C ATOM 262 O HIS A 18 -7.956 -6.436 0.970 1.00 0.00 O ATOM 263 CB HIS A 18 -5.362 -4.902 0.978 1.00 0.00 C ATOM 264 CG HIS A 18 -4.120 -5.566 0.446 1.00 0.00 C ATOM 265 ND1 HIS A 18 -2.937 -4.877 0.305 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.935 -6.844 0.028 1.00 0.00 C ATOM 267 CE1 HIS A 18 -2.068 -5.741 -0.195 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.627 -6.948 -0.381 1.00 0.00 N ATOM 0 H HIS A 18 -7.828 -3.784 1.164 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.038 -4.687 -1.021 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.115 -3.890 1.300 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.705 -5.443 1.860 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.675 -7.630 0.019 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.039 -5.505 -0.424 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.170 -7.780 -0.753 1.00 0.00 H new ATOM 276 N GLY A 19 -7.294 -6.832 -1.138 1.00 0.00 N ATOM 277 CA GLY A 19 -8.058 -8.050 -1.220 1.00 0.00 C ATOM 278 C GLY A 19 -9.539 -7.750 -1.254 1.00 0.00 C ATOM 279 O GLY A 19 -10.021 -7.111 -2.194 1.00 0.00 O ATOM 0 H GLY A 19 -6.772 -6.590 -1.980 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.773 -8.604 -2.114 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.830 -8.686 -0.365 1.00 0.00 H new ATOM 283 N PRO A 20 -10.291 -8.201 -0.245 1.00 0.00 N ATOM 284 CA PRO A 20 -11.719 -7.975 -0.158 1.00 0.00 C ATOM 285 C PRO A 20 -12.140 -6.862 0.798 1.00 0.00 C ATOM 286 O PRO A 20 -13.321 -6.520 0.848 1.00 0.00 O ATOM 287 CB PRO A 20 -12.218 -9.304 0.407 1.00 0.00 C ATOM 288 CG PRO A 20 -11.035 -9.947 1.086 1.00 0.00 C ATOM 289 CD PRO A 20 -9.841 -9.051 0.857 1.00 0.00 C ATOM 0 HA PRO A 20 -12.116 -7.668 -1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.032 -9.145 1.114 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.605 -9.943 -0.387 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.224 -10.069 2.152 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.852 -10.941 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.595 -8.468 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.950 -9.621 0.592 1.00 0.00 H new ATOM 297 N LEU A 21 -11.215 -6.276 1.551 1.00 0.00 N ATOM 298 CA LEU A 21 -11.628 -5.272 2.525 1.00 0.00 C ATOM 299 C LEU A 21 -10.704 -4.070 2.627 1.00 0.00 C ATOM 300 O LEU A 21 -9.709 -3.943 1.916 1.00 0.00 O ATOM 301 CB LEU A 21 -11.736 -5.913 3.911 1.00 0.00 C ATOM 302 CG LEU A 21 -12.941 -6.824 4.134 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.916 -7.370 5.543 1.00 0.00 C ATOM 304 CD2 LEU A 21 -14.235 -6.072 3.892 1.00 0.00 C ATOM 0 H LEU A 21 -10.214 -6.468 1.511 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.589 -4.902 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.830 -6.490 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.763 -5.118 4.656 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.887 -7.651 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.778 -8.019 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -12.000 -7.941 5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.952 -6.544 6.254 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.080 -6.740 4.056 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.300 -5.229 4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.256 -5.706 2.866 1.00 0.00 H new ATOM 316 N MET A 22 -11.085 -3.200 3.552 1.00 0.00 N ATOM 317 CA MET A 22 -10.368 -1.981 3.868 1.00 0.00 C ATOM 318 C MET A 22 -9.448 -2.243 5.048 1.00 0.00 C ATOM 319 O MET A 22 -9.764 -3.072 5.902 1.00 0.00 O ATOM 320 CB MET A 22 -11.365 -0.869 4.231 1.00 0.00 C ATOM 321 CG MET A 22 -11.404 0.272 3.223 1.00 0.00 C ATOM 322 SD MET A 22 -12.624 1.536 3.641 1.00 0.00 S ATOM 323 CE MET A 22 -14.150 0.611 3.468 1.00 0.00 C ATOM 0 H MET A 22 -11.925 -3.330 4.116 1.00 0.00 H new ATOM 0 HA MET A 22 -9.783 -1.666 3.004 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.362 -1.301 4.316 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.107 -0.468 5.211 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.417 0.732 3.164 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.628 -0.130 2.235 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.877 1.209 2.919 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.955 -0.314 2.924 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.546 0.375 4.456 1.00 0.00 H new ATOM 333 N TYR A 23 -8.311 -1.574 5.088 1.00 0.00 N ATOM 334 CA TYR A 23 -7.370 -1.752 6.191 1.00 0.00 C ATOM 335 C TYR A 23 -6.738 -0.422 6.592 1.00 0.00 C ATOM 336 O TYR A 23 -6.562 0.461 5.751 1.00 0.00 O ATOM 337 CB TYR A 23 -6.277 -2.756 5.814 1.00 0.00 C ATOM 338 CG TYR A 23 -6.773 -4.179 5.668 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.970 -4.747 4.414 1.00 0.00 C ATOM 340 CD2 TYR A 23 -7.046 -4.953 6.788 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.427 -6.044 4.282 1.00 0.00 C ATOM 342 CE2 TYR A 23 -7.502 -6.250 6.663 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.690 -6.791 5.411 1.00 0.00 C ATOM 344 OH TYR A 23 -8.143 -8.086 5.284 1.00 0.00 O ATOM 0 H TYR A 23 -8.013 -0.906 4.377 1.00 0.00 H new ATOM 0 HA TYR A 23 -7.928 -2.141 7.043 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.819 -2.444 4.876 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.496 -2.730 6.574 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.762 -4.164 3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -6.899 -4.534 7.772 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.577 -6.470 3.301 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.711 -6.838 7.544 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.279 -8.474 6.174 1.00 0.00 H new ATOM 354 N GLU A 24 -6.423 -0.284 7.880 1.00 0.00 N ATOM 355 CA GLU A 24 -5.791 0.921 8.409 1.00 0.00 C ATOM 356 C GLU A 24 -4.392 1.067 7.836 1.00 0.00 C ATOM 357 O GLU A 24 -3.597 0.127 7.863 1.00 0.00 O ATOM 358 CB GLU A 24 -5.714 0.861 9.938 1.00 0.00 C ATOM 359 CG GLU A 24 -7.069 0.845 10.625 1.00 0.00 C ATOM 360 CD GLU A 24 -7.574 -0.555 10.914 1.00 0.00 C ATOM 361 OE1 GLU A 24 -7.196 -1.494 10.182 1.00 0.00 O ATOM 362 OE2 GLU A 24 -8.380 -0.719 11.855 1.00 0.00 O ATOM 0 H GLU A 24 -6.599 -1.002 8.582 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.394 1.782 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.160 -0.032 10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.146 1.719 10.297 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.002 1.401 11.560 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.794 1.364 9.997 1.00 0.00 H new ATOM 369 N ALA A 25 -4.091 2.238 7.316 1.00 0.00 N ATOM 370 CA ALA A 25 -2.790 2.475 6.730 1.00 0.00 C ATOM 371 C ALA A 25 -2.286 3.889 6.981 1.00 0.00 C ATOM 372 O ALA A 25 -3.054 4.852 6.989 1.00 0.00 O ATOM 373 CB ALA A 25 -2.853 2.204 5.240 1.00 0.00 C ATOM 0 H ALA A 25 -4.726 3.036 7.287 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.084 1.796 7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.874 2.382 4.796 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.145 1.168 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.586 2.867 4.780 1.00 0.00 H new ATOM 379 N LYS A 26 -0.984 3.991 7.202 1.00 0.00 N ATOM 380 CA LYS A 26 -0.328 5.272 7.415 1.00 0.00 C ATOM 381 C LYS A 26 0.486 5.610 6.181 1.00 0.00 C ATOM 382 O LYS A 26 1.426 4.891 5.839 1.00 0.00 O ATOM 383 CB LYS A 26 0.579 5.217 8.646 1.00 0.00 C ATOM 384 CG LYS A 26 1.308 6.519 8.927 1.00 0.00 C ATOM 385 CD LYS A 26 2.615 6.276 9.660 1.00 0.00 C ATOM 386 CE LYS A 26 3.372 7.572 9.890 1.00 0.00 C ATOM 387 NZ LYS A 26 2.985 8.220 11.171 1.00 0.00 N ATOM 0 H LYS A 26 -0.354 3.190 7.239 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.081 6.041 7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.021 4.952 9.517 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.313 4.422 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.506 7.036 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.671 7.173 9.523 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.413 5.796 10.618 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.234 5.589 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.443 7.371 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.179 8.257 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.524 9.101 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.968 8.435 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.192 7.577 11.962 1.00 0.00 H new ATOM 401 N ILE A 27 0.112 6.682 5.507 1.00 0.00 N ATOM 402 CA ILE A 27 0.801 7.098 4.295 1.00 0.00 C ATOM 403 C ILE A 27 2.192 7.612 4.598 1.00 0.00 C ATOM 404 O ILE A 27 2.365 8.604 5.304 1.00 0.00 O ATOM 405 CB ILE A 27 0.002 8.169 3.528 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.459 7.735 3.385 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.619 8.394 2.158 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.393 8.838 2.948 1.00 0.00 C ATOM 0 H ILE A 27 -0.667 7.283 5.777 1.00 0.00 H new ATOM 0 HA ILE A 27 0.887 6.214 3.663 1.00 0.00 H new ATOM 0 HB ILE A 27 0.035 9.104 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.515 6.920 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.804 7.340 4.340 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.048 9.152 1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.650 8.730 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.602 7.461 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.407 8.447 2.871 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.370 9.645 3.680 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.077 9.219 1.977 1.00 0.00 H new ATOM 420 N LEU A 28 3.178 6.916 4.065 1.00 0.00 N ATOM 421 CA LEU A 28 4.558 7.285 4.263 1.00 0.00 C ATOM 422 C LEU A 28 5.103 8.019 3.046 1.00 0.00 C ATOM 423 O LEU A 28 6.093 8.743 3.143 1.00 0.00 O ATOM 424 CB LEU A 28 5.395 6.050 4.545 1.00 0.00 C ATOM 425 CG LEU A 28 6.359 6.211 5.705 1.00 0.00 C ATOM 426 CD1 LEU A 28 5.682 5.842 7.017 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.606 5.373 5.482 1.00 0.00 C ATOM 0 H LEU A 28 3.042 6.086 3.488 1.00 0.00 H new ATOM 0 HA LEU A 28 4.612 7.955 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.730 5.212 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.960 5.794 3.649 1.00 0.00 H new ATOM 0 HG LEU A 28 6.660 7.257 5.762 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.389 5.964 7.838 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.823 6.493 7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.349 4.805 6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.286 5.501 6.324 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.328 4.323 5.397 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.100 5.693 4.565 1.00 0.00 H new ATOM 439 N LYS A 29 4.468 7.814 1.895 1.00 0.00 N ATOM 440 CA LYS A 29 4.885 8.475 0.664 1.00 0.00 C ATOM 441 C LYS A 29 3.682 8.779 -0.212 1.00 0.00 C ATOM 442 O LYS A 29 2.808 7.943 -0.386 1.00 0.00 O ATOM 443 CB LYS A 29 5.861 7.614 -0.147 1.00 0.00 C ATOM 444 CG LYS A 29 7.078 7.133 0.620 1.00 0.00 C ATOM 445 CD LYS A 29 8.087 6.472 -0.300 1.00 0.00 C ATOM 446 CE LYS A 29 9.195 5.803 0.487 1.00 0.00 C ATOM 447 NZ LYS A 29 10.315 5.375 -0.391 1.00 0.00 N ATOM 0 H LYS A 29 3.664 7.196 1.790 1.00 0.00 H new ATOM 0 HA LYS A 29 5.385 9.397 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.325 6.746 -0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.197 8.188 -1.011 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.545 7.976 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.769 6.427 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.584 5.733 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.514 7.218 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.570 6.492 1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.795 4.937 1.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.846 4.610 0.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.935 5.034 -1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.949 6.181 -0.563 1.00 0.00 H new ATOM 461 N ILE A 30 3.637 9.983 -0.740 1.00 0.00 N ATOM 462 CA ILE A 30 2.564 10.393 -1.641 1.00 0.00 C ATOM 463 C ILE A 30 3.120 10.399 -3.046 1.00 0.00 C ATOM 464 O ILE A 30 4.235 10.826 -3.253 1.00 0.00 O ATOM 465 CB ILE A 30 1.988 11.787 -1.277 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.174 11.719 0.017 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.113 12.318 -2.400 1.00 0.00 C ATOM 468 CD1 ILE A 30 2.003 11.556 1.265 1.00 0.00 C ATOM 0 H ILE A 30 4.334 10.706 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 30 1.736 9.690 -1.553 1.00 0.00 H new ATOM 0 HB ILE A 30 2.829 12.465 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.579 12.628 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.474 10.886 -0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.720 13.296 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.705 12.409 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.285 11.630 -2.573 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.347 11.517 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.578 10.632 1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.684 12.401 1.362 1.00 0.00 H new ATOM 480 N TRP A 31 2.362 9.941 -4.012 1.00 0.00 N ATOM 481 CA TRP A 31 2.872 9.850 -5.360 1.00 0.00 C ATOM 482 C TRP A 31 2.181 10.790 -6.332 1.00 0.00 C ATOM 483 O TRP A 31 0.956 10.765 -6.457 1.00 0.00 O ATOM 484 CB TRP A 31 2.690 8.438 -5.854 1.00 0.00 C ATOM 485 CG TRP A 31 3.037 8.288 -7.283 1.00 0.00 C ATOM 486 CD1 TRP A 31 2.193 8.284 -8.344 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.335 8.145 -7.795 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.901 8.103 -9.504 1.00 0.00 N ATOM 489 CE2 TRP A 31 4.225 8.013 -9.188 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.583 8.095 -7.199 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.328 7.832 -9.993 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.677 7.919 -8.001 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.543 7.791 -9.386 1.00 0.00 C ATOM 0 H TRP A 31 1.399 9.628 -3.893 1.00 0.00 H new ATOM 0 HA TRP A 31 3.922 10.138 -5.321 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.310 7.766 -5.261 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.654 8.134 -5.701 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.122 8.405 -8.284 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.506 8.045 -10.442 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.690 8.192 -6.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.231 7.727 -11.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.660 7.878 -7.556 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.428 7.656 -9.990 1.00 0.00 H new ATOM 504 N ASP A 32 2.988 11.557 -7.060 1.00 0.00 N ATOM 505 CA ASP A 32 2.489 12.490 -8.061 1.00 0.00 C ATOM 506 C ASP A 32 2.745 11.927 -9.456 1.00 0.00 C ATOM 507 O ASP A 32 3.894 11.830 -9.900 1.00 0.00 O ATOM 508 CB ASP A 32 3.163 13.851 -7.913 1.00 0.00 C ATOM 509 CG ASP A 32 2.964 14.723 -9.136 1.00 0.00 C ATOM 510 OD1 ASP A 32 3.964 15.019 -9.828 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.810 15.100 -9.416 1.00 0.00 O ATOM 0 H ASP A 32 4.004 11.548 -6.972 1.00 0.00 H new ATOM 0 HA ASP A 32 1.417 12.622 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.762 14.360 -7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.230 13.710 -7.739 1.00 0.00 H new ATOM 516 N PRO A 33 1.673 11.555 -10.167 1.00 0.00 N ATOM 517 CA PRO A 33 1.764 10.968 -11.510 1.00 0.00 C ATOM 518 C PRO A 33 2.056 11.984 -12.613 1.00 0.00 C ATOM 519 O PRO A 33 2.173 11.619 -13.782 1.00 0.00 O ATOM 520 CB PRO A 33 0.374 10.371 -11.713 1.00 0.00 C ATOM 521 CG PRO A 33 -0.530 11.234 -10.901 1.00 0.00 C ATOM 522 CD PRO A 33 0.275 11.659 -9.704 1.00 0.00 C ATOM 0 HA PRO A 33 2.588 10.258 -11.573 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.089 10.379 -12.765 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.336 9.334 -11.380 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.864 12.099 -11.474 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.423 10.688 -10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.030 12.676 -9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.088 11.013 -8.846 1.00 0.00 H new ATOM 530 N SER A 34 2.176 13.248 -12.249 1.00 0.00 N ATOM 531 CA SER A 34 2.437 14.293 -13.230 1.00 0.00 C ATOM 532 C SER A 34 3.931 14.461 -13.484 1.00 0.00 C ATOM 533 O SER A 34 4.347 14.815 -14.587 1.00 0.00 O ATOM 534 CB SER A 34 1.827 15.615 -12.767 1.00 0.00 C ATOM 535 OG SER A 34 0.410 15.559 -12.799 1.00 0.00 O ATOM 0 H SER A 34 2.098 13.578 -11.287 1.00 0.00 H new ATOM 0 HA SER A 34 1.972 13.994 -14.169 1.00 0.00 H new ATOM 0 HB2 SER A 34 2.163 15.840 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.177 16.425 -13.407 1.00 0.00 H new ATOM 0 HG SER A 34 0.042 16.416 -12.497 1.00 0.00 H new ATOM 541 N SER A 35 4.739 14.198 -12.473 1.00 0.00 N ATOM 542 CA SER A 35 6.177 14.337 -12.610 1.00 0.00 C ATOM 543 C SER A 35 6.844 12.976 -12.487 1.00 0.00 C ATOM 544 O SER A 35 7.890 12.730 -13.089 1.00 0.00 O ATOM 545 CB SER A 35 6.702 15.298 -11.553 1.00 0.00 C ATOM 546 OG SER A 35 5.743 16.307 -11.269 1.00 0.00 O ATOM 0 H SER A 35 4.426 13.889 -11.553 1.00 0.00 H new ATOM 0 HA SER A 35 6.412 14.743 -13.594 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.940 14.749 -10.642 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.628 15.757 -11.900 1.00 0.00 H new ATOM 0 HG SER A 35 5.251 16.071 -10.455 1.00 0.00 H new ATOM 552 N LYS A 36 6.230 12.123 -11.665 1.00 0.00 N ATOM 553 CA LYS A 36 6.663 10.753 -11.440 1.00 0.00 C ATOM 554 C LYS A 36 7.672 10.673 -10.322 1.00 0.00 C ATOM 555 O LYS A 36 8.640 9.911 -10.347 1.00 0.00 O ATOM 556 CB LYS A 36 7.156 10.061 -12.697 1.00 0.00 C ATOM 557 CG LYS A 36 6.858 8.588 -12.657 1.00 0.00 C ATOM 558 CD LYS A 36 6.739 8.005 -14.045 1.00 0.00 C ATOM 559 CE LYS A 36 7.999 7.272 -14.445 1.00 0.00 C ATOM 560 NZ LYS A 36 7.913 6.775 -15.841 1.00 0.00 N ATOM 0 H LYS A 36 5.400 12.376 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 36 5.775 10.201 -11.132 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.682 10.507 -13.571 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.230 10.215 -12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.648 8.071 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.930 8.419 -12.110 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.891 7.321 -14.083 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.537 8.802 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.857 7.937 -14.346 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.166 6.434 -13.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.792 6.276 -16.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.108 6.122 -15.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.778 7.578 -16.488 1.00 0.00 H new ATOM 574 N MET A 37 7.407 11.484 -9.342 1.00 0.00 N ATOM 575 CA MET A 37 8.142 11.549 -8.143 1.00 0.00 C ATOM 576 C MET A 37 7.120 11.340 -7.058 1.00 0.00 C ATOM 577 O MET A 37 5.923 11.237 -7.338 1.00 0.00 O ATOM 578 CB MET A 37 8.863 12.891 -7.982 1.00 0.00 C ATOM 579 CG MET A 37 8.328 14.004 -8.863 1.00 0.00 C ATOM 580 SD MET A 37 9.495 14.484 -10.154 1.00 0.00 S ATOM 581 CE MET A 37 10.626 15.522 -9.233 1.00 0.00 C ATOM 0 H MET A 37 6.631 12.145 -9.372 1.00 0.00 H new ATOM 0 HA MET A 37 8.934 10.800 -8.115 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.792 13.204 -6.940 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.921 12.749 -8.201 1.00 0.00 H new ATOM 0 HG2 MET A 37 7.394 13.682 -9.323 1.00 0.00 H new ATOM 0 HG3 MET A 37 8.096 14.872 -8.246 1.00 0.00 H new ATOM 0 HE1 MET A 37 11.318 16.006 -9.922 1.00 0.00 H new ATOM 0 HE2 MET A 37 10.063 16.282 -8.691 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.186 14.911 -8.525 1.00 0.00 H new ATOM 591 N TYR A 38 7.553 11.315 -5.848 1.00 0.00 N ATOM 592 CA TYR A 38 6.673 11.079 -4.750 1.00 0.00 C ATOM 593 C TYR A 38 7.153 11.919 -3.587 1.00 0.00 C ATOM 594 O TYR A 38 8.278 12.423 -3.611 1.00 0.00 O ATOM 595 CB TYR A 38 6.669 9.593 -4.377 1.00 0.00 C ATOM 596 CG TYR A 38 8.031 9.031 -4.071 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.574 9.157 -2.807 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.770 8.380 -5.046 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.817 8.650 -2.510 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.017 7.868 -4.759 1.00 0.00 C ATOM 601 CZ TYR A 38 10.538 8.008 -3.491 1.00 0.00 C ATOM 602 OH TYR A 38 11.776 7.490 -3.202 1.00 0.00 O ATOM 0 H TYR A 38 8.529 11.457 -5.586 1.00 0.00 H new ATOM 0 HA TYR A 38 5.652 11.352 -5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.025 9.449 -3.509 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.230 9.025 -5.197 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.011 9.664 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.364 8.273 -6.041 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.224 8.755 -1.515 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.584 7.359 -5.525 1.00 0.00 H new ATOM 0 HH TYR A 38 11.937 6.698 -3.757 1.00 0.00 H new ATOM 612 N THR A 39 6.327 12.100 -2.591 1.00 0.00 N ATOM 613 CA THR A 39 6.726 12.862 -1.445 1.00 0.00 C ATOM 614 C THR A 39 6.596 12.008 -0.199 1.00 0.00 C ATOM 615 O THR A 39 5.499 11.648 0.228 1.00 0.00 O ATOM 616 CB THR A 39 5.937 14.178 -1.313 1.00 0.00 C ATOM 617 OG1 THR A 39 4.673 13.965 -0.670 1.00 0.00 O ATOM 618 CG2 THR A 39 5.703 14.803 -2.674 1.00 0.00 C ATOM 0 H THR A 39 5.377 11.730 -2.553 1.00 0.00 H new ATOM 0 HA THR A 39 7.770 13.148 -1.573 1.00 0.00 H new ATOM 0 HB THR A 39 6.535 14.853 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.588 13.021 -0.419 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.144 15.731 -2.557 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.662 15.014 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.134 14.114 -3.298 1.00 0.00 H new ATOM 626 N SER A 40 7.732 11.674 0.360 1.00 0.00 N ATOM 627 CA SER A 40 7.801 10.833 1.538 1.00 0.00 C ATOM 628 C SER A 40 7.791 11.677 2.804 1.00 0.00 C ATOM 629 O SER A 40 7.692 12.903 2.748 1.00 0.00 O ATOM 630 CB SER A 40 9.072 9.977 1.480 1.00 0.00 C ATOM 631 OG SER A 40 9.016 8.889 2.386 1.00 0.00 O ATOM 0 H SER A 40 8.642 11.977 0.012 1.00 0.00 H new ATOM 0 HA SER A 40 6.927 10.182 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.210 9.599 0.467 1.00 0.00 H new ATOM 0 HB3 SER A 40 9.939 10.597 1.710 1.00 0.00 H new ATOM 0 HG SER A 40 9.842 8.365 2.320 1.00 0.00 H new ATOM 637 N ILE A 41 7.851 11.013 3.942 1.00 0.00 N ATOM 638 CA ILE A 41 7.869 11.702 5.225 1.00 0.00 C ATOM 639 C ILE A 41 9.051 11.224 6.056 1.00 0.00 C ATOM 640 O ILE A 41 9.294 10.024 6.179 1.00 0.00 O ATOM 641 CB ILE A 41 6.558 11.491 6.021 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.359 12.002 5.227 1.00 0.00 C ATOM 643 CG2 ILE A 41 6.620 12.187 7.373 1.00 0.00 C ATOM 644 CD1 ILE A 41 4.537 10.906 4.595 1.00 0.00 C ATOM 0 H ILE A 41 7.888 9.996 4.008 1.00 0.00 H new ATOM 0 HA ILE A 41 7.964 12.768 5.018 1.00 0.00 H new ATOM 0 HB ILE A 41 6.441 10.421 6.189 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.720 12.588 5.888 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.712 12.675 4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.686 12.022 7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.449 11.782 7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.769 13.257 7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.703 11.346 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.160 10.334 3.908 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.153 10.245 5.372 1.00 0.00 H new ATOM 656 N PRO A 42 9.818 12.164 6.617 1.00 0.00 N ATOM 657 CA PRO A 42 10.971 11.845 7.432 1.00 0.00 C ATOM 658 C PRO A 42 10.592 11.526 8.873 1.00 0.00 C ATOM 659 O PRO A 42 10.093 12.380 9.607 1.00 0.00 O ATOM 660 CB PRO A 42 11.828 13.115 7.374 1.00 0.00 C ATOM 661 CG PRO A 42 10.986 14.179 6.729 1.00 0.00 C ATOM 662 CD PRO A 42 9.612 13.606 6.503 1.00 0.00 C ATOM 0 HA PRO A 42 11.486 10.956 7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 42 12.136 13.419 8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.738 12.941 6.800 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.932 15.061 7.367 1.00 0.00 H new ATOM 0 HG3 PRO A 42 11.428 14.495 5.784 1.00 0.00 H new ATOM 0 HD2 PRO A 42 8.899 13.969 7.244 1.00 0.00 H new ATOM 0 HD3 PRO A 42 9.220 13.879 5.523 1.00 0.00 H new ATOM 670 N ASN A 43 10.826 10.283 9.261 1.00 0.00 N ATOM 671 CA ASN A 43 10.556 9.832 10.620 1.00 0.00 C ATOM 672 C ASN A 43 11.888 9.632 11.322 1.00 0.00 C ATOM 673 O ASN A 43 12.112 10.122 12.429 1.00 0.00 O ATOM 674 CB ASN A 43 9.756 8.524 10.611 1.00 0.00 C ATOM 675 CG ASN A 43 9.141 8.197 11.964 1.00 0.00 C ATOM 676 OD1 ASN A 43 8.014 8.597 12.260 1.00 0.00 O ATOM 677 ND2 ASN A 43 9.867 7.460 12.791 1.00 0.00 N ATOM 0 H ASN A 43 11.206 9.561 8.649 1.00 0.00 H new ATOM 0 HA ASN A 43 9.959 10.577 11.146 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.964 8.593 9.865 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.410 7.706 10.307 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.496 7.206 13.707 1.00 0.00 H new ATOM 0 HD22 ASN A 43 10.797 7.146 12.512 1.00 0.00 H new ATOM 684 N ASP A 44 12.773 8.919 10.641 1.00 0.00 N ATOM 685 CA ASP A 44 14.112 8.654 11.138 1.00 0.00 C ATOM 686 C ASP A 44 15.113 9.311 10.202 1.00 0.00 C ATOM 687 O ASP A 44 15.174 8.975 9.020 1.00 0.00 O ATOM 688 CB ASP A 44 14.384 7.150 11.210 1.00 0.00 C ATOM 689 CG ASP A 44 13.648 6.470 12.344 1.00 0.00 C ATOM 690 OD1 ASP A 44 14.319 5.900 13.234 1.00 0.00 O ATOM 691 OD2 ASP A 44 12.401 6.494 12.348 1.00 0.00 O ATOM 0 H ASP A 44 12.581 8.508 9.727 1.00 0.00 H new ATOM 0 HA ASP A 44 14.206 9.061 12.145 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.093 6.688 10.267 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.455 6.985 11.329 1.00 0.00 H new ATOM 696 N LYS A 45 15.870 10.263 10.714 1.00 0.00 N ATOM 697 CA LYS A 45 16.845 10.961 9.893 1.00 0.00 C ATOM 698 C LYS A 45 18.237 10.385 10.098 1.00 0.00 C ATOM 699 O LYS A 45 18.634 10.095 11.224 1.00 0.00 O ATOM 700 CB LYS A 45 16.855 12.453 10.224 1.00 0.00 C ATOM 701 CG LYS A 45 15.472 13.050 10.442 1.00 0.00 C ATOM 702 CD LYS A 45 15.417 13.828 11.748 1.00 0.00 C ATOM 703 CE LYS A 45 16.550 14.839 11.834 1.00 0.00 C ATOM 704 NZ LYS A 45 16.754 15.337 13.219 1.00 0.00 N ATOM 0 H LYS A 45 15.831 10.570 11.686 1.00 0.00 H new ATOM 0 HA LYS A 45 16.559 10.828 8.850 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.453 12.611 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.348 12.991 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.221 13.709 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.726 12.255 10.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.460 14.343 11.827 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.478 13.137 12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.472 14.381 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.335 15.680 11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.535 16.023 13.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.884 15.798 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.986 14.539 13.844 1.00 0.00 H new ATOM 718 N PRO A 46 18.995 10.212 9.007 1.00 0.00 N ATOM 719 CA PRO A 46 20.354 9.675 9.073 1.00 0.00 C ATOM 720 C PRO A 46 21.308 10.636 9.777 1.00 0.00 C ATOM 721 O PRO A 46 22.230 10.214 10.475 1.00 0.00 O ATOM 722 CB PRO A 46 20.755 9.501 7.602 1.00 0.00 C ATOM 723 CG PRO A 46 19.488 9.619 6.819 1.00 0.00 C ATOM 724 CD PRO A 46 18.586 10.504 7.624 1.00 0.00 C ATOM 0 HA PRO A 46 20.399 8.747 9.643 1.00 0.00 H new ATOM 0 HB2 PRO A 46 21.474 10.262 7.300 1.00 0.00 H new ATOM 0 HB3 PRO A 46 21.228 8.533 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.676 10.046 5.834 1.00 0.00 H new ATOM 0 HG3 PRO A 46 19.035 8.640 6.661 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.724 11.556 7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 46 17.535 10.271 7.455 1.00 0.00 H new ATOM 732 N GLY A 47 21.067 11.930 9.595 1.00 0.00 N ATOM 733 CA GLY A 47 21.902 12.938 10.215 1.00 0.00 C ATOM 734 C GLY A 47 23.176 13.191 9.435 1.00 0.00 C ATOM 735 O GLY A 47 24.191 13.597 10.002 1.00 0.00 O ATOM 0 H GLY A 47 20.304 12.298 9.026 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.341 13.868 10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.155 12.624 11.228 1.00 0.00 H new ATOM 739 N GLY A 48 23.126 12.948 8.136 1.00 0.00 N ATOM 740 CA GLY A 48 24.283 13.159 7.292 1.00 0.00 C ATOM 741 C GLY A 48 23.906 13.777 5.969 1.00 0.00 C ATOM 742 O GLY A 48 24.314 14.897 5.659 1.00 0.00 O ATOM 0 H GLY A 48 22.299 12.606 7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 48 24.994 13.806 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 48 24.785 12.207 7.119 1.00 0.00 H new ATOM 746 N SER A 49 23.135 13.044 5.183 1.00 0.00 N ATOM 747 CA SER A 49 22.689 13.529 3.887 1.00 0.00 C ATOM 748 C SER A 49 21.771 14.740 4.052 1.00 0.00 C ATOM 749 O SER A 49 20.680 14.635 4.611 1.00 0.00 O ATOM 750 CB SER A 49 21.966 12.413 3.128 1.00 0.00 C ATOM 751 OG SER A 49 22.793 11.267 2.998 1.00 0.00 O ATOM 0 H SER A 49 22.804 12.109 5.420 1.00 0.00 H new ATOM 0 HA SER A 49 23.563 13.837 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 49 21.049 12.146 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.675 12.770 2.140 1.00 0.00 H new ATOM 0 HG SER A 49 22.309 10.568 2.511 1.00 0.00 H new ATOM 757 N SER A 50 22.222 15.888 3.565 1.00 0.00 N ATOM 758 CA SER A 50 21.439 17.110 3.658 1.00 0.00 C ATOM 759 C SER A 50 20.479 17.201 2.479 1.00 0.00 C ATOM 760 O SER A 50 19.515 17.962 2.499 1.00 0.00 O ATOM 761 CB SER A 50 22.370 18.323 3.691 1.00 0.00 C ATOM 762 OG SER A 50 23.256 18.248 4.796 1.00 0.00 O ATOM 0 H SER A 50 23.125 15.997 3.103 1.00 0.00 H new ATOM 0 HA SER A 50 20.856 17.096 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 50 22.941 18.374 2.764 1.00 0.00 H new ATOM 0 HB3 SER A 50 21.781 19.238 3.753 1.00 0.00 H new ATOM 0 HG SER A 50 23.844 19.032 4.798 1.00 0.00 H new ATOM 768 N GLN A 51 20.746 16.392 1.462 1.00 0.00 N ATOM 769 CA GLN A 51 19.916 16.353 0.268 1.00 0.00 C ATOM 770 C GLN A 51 18.848 15.277 0.413 1.00 0.00 C ATOM 771 O GLN A 51 18.178 14.915 -0.555 1.00 0.00 O ATOM 772 CB GLN A 51 20.769 16.074 -0.971 1.00 0.00 C ATOM 773 CG GLN A 51 21.998 16.962 -1.085 1.00 0.00 C ATOM 774 CD GLN A 51 22.797 16.697 -2.347 1.00 0.00 C ATOM 775 OE1 GLN A 51 22.105 16.415 -3.439 1.00 0.00 O flip ATOM 776 NE2 GLN A 51 24.029 16.757 -2.345 1.00 0.00 N flip ATOM 0 H GLN A 51 21.538 15.750 1.442 1.00 0.00 H new ATOM 0 HA GLN A 51 19.435 17.324 0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.086 15.031 -0.954 1.00 0.00 H new ATOM 0 HB3 GLN A 51 20.154 16.206 -1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 51 21.689 18.007 -1.068 1.00 0.00 H new ATOM 0 HG3 GLN A 51 22.637 16.805 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 51 24.527 16.977 -1.483 1.00 0.00 H new ATOM 0 HE22 GLN A 51 24.549 16.586 -3.206 1.00 0.00 H new ATOM 785 N ALA A 52 18.701 14.767 1.631 1.00 0.00 N ATOM 786 CA ALA A 52 17.728 13.728 1.924 1.00 0.00 C ATOM 787 C ALA A 52 17.105 13.958 3.296 1.00 0.00 C ATOM 788 O ALA A 52 17.741 14.531 4.180 1.00 0.00 O ATOM 789 CB ALA A 52 18.377 12.354 1.858 1.00 0.00 C ATOM 0 H ALA A 52 19.251 15.062 2.437 1.00 0.00 H new ATOM 0 HA ALA A 52 16.940 13.771 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.633 11.589 2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 52 18.779 12.189 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 52 19.184 12.298 2.588 1.00 0.00 H new ATOM 795 N THR A 53 15.862 13.498 3.454 1.00 0.00 N ATOM 796 CA THR A 53 15.088 13.633 4.696 1.00 0.00 C ATOM 797 C THR A 53 14.940 15.089 5.143 1.00 0.00 C ATOM 798 O THR A 53 15.467 15.999 4.505 1.00 0.00 O ATOM 799 CB THR A 53 15.641 12.771 5.862 1.00 0.00 C ATOM 800 OG1 THR A 53 17.003 13.097 6.174 1.00 0.00 O ATOM 801 CG2 THR A 53 15.535 11.294 5.522 1.00 0.00 C ATOM 0 H THR A 53 15.355 13.014 2.713 1.00 0.00 H new ATOM 0 HA THR A 53 14.098 13.250 4.446 1.00 0.00 H new ATOM 0 HB THR A 53 15.034 12.991 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.258 13.919 5.706 1.00 0.00 H new ATOM 0 HG21 THR A 53 15.927 10.701 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.490 11.034 5.352 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.112 11.086 4.621 1.00 0.00 H new ATOM 809 N LYS A 54 14.191 15.290 6.234 1.00 0.00 N ATOM 810 CA LYS A 54 13.923 16.623 6.792 1.00 0.00 C ATOM 811 C LYS A 54 13.026 17.432 5.849 1.00 0.00 C ATOM 812 O LYS A 54 11.897 17.785 6.196 1.00 0.00 O ATOM 813 CB LYS A 54 15.236 17.372 7.076 1.00 0.00 C ATOM 814 CG LYS A 54 15.044 18.703 7.785 1.00 0.00 C ATOM 815 CD LYS A 54 15.262 19.880 6.848 1.00 0.00 C ATOM 816 CE LYS A 54 16.679 19.895 6.307 1.00 0.00 C ATOM 817 NZ LYS A 54 16.856 20.899 5.229 1.00 0.00 N ATOM 0 H LYS A 54 13.752 14.532 6.757 1.00 0.00 H new ATOM 0 HA LYS A 54 13.397 16.497 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 54 15.881 16.737 7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.756 17.545 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.038 18.751 8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.738 18.772 8.622 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.555 19.825 6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.062 20.812 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 54 17.374 20.110 7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.931 18.906 5.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.003 20.412 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.007 21.496 5.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 17.682 21.494 5.441 1.00 0.00 H new ATOM 831 N GLU A 55 13.532 17.700 4.660 1.00 0.00 N ATOM 832 CA GLU A 55 12.804 18.438 3.644 1.00 0.00 C ATOM 833 C GLU A 55 12.530 17.510 2.475 1.00 0.00 C ATOM 834 O GLU A 55 13.357 17.361 1.572 1.00 0.00 O ATOM 835 CB GLU A 55 13.601 19.658 3.178 1.00 0.00 C ATOM 836 CG GLU A 55 13.161 20.954 3.833 1.00 0.00 C ATOM 837 CD GLU A 55 13.988 22.143 3.394 1.00 0.00 C ATOM 838 OE1 GLU A 55 14.994 22.447 4.063 1.00 0.00 O ATOM 839 OE2 GLU A 55 13.635 22.779 2.380 1.00 0.00 O ATOM 0 H GLU A 55 14.466 17.410 4.370 1.00 0.00 H new ATOM 0 HA GLU A 55 11.864 18.798 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 55 14.658 19.494 3.389 1.00 0.00 H new ATOM 0 HB3 GLU A 55 13.503 19.755 2.097 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.113 21.138 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.229 20.850 4.916 1.00 0.00 H new ATOM 846 N ILE A 56 11.382 16.862 2.514 1.00 0.00 N ATOM 847 CA ILE A 56 11.016 15.925 1.477 1.00 0.00 C ATOM 848 C ILE A 56 10.412 16.605 0.270 1.00 0.00 C ATOM 849 O ILE A 56 9.211 16.885 0.212 1.00 0.00 O ATOM 850 CB ILE A 56 10.055 14.852 1.980 1.00 0.00 C ATOM 851 CG1 ILE A 56 10.641 14.127 3.197 1.00 0.00 C ATOM 852 CG2 ILE A 56 9.782 13.870 0.854 1.00 0.00 C ATOM 853 CD1 ILE A 56 11.932 13.386 2.907 1.00 0.00 C ATOM 0 H ILE A 56 10.688 16.969 3.254 1.00 0.00 H new ATOM 0 HA ILE A 56 11.950 15.449 1.178 1.00 0.00 H new ATOM 0 HB ILE A 56 9.121 15.319 2.291 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.821 14.854 3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.904 13.419 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.096 13.098 1.203 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.336 14.398 0.011 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.718 13.408 0.539 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.284 12.899 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 56 11.755 12.634 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.686 14.092 2.558 1.00 0.00 H new ATOM 865 N LYS A 57 11.276 16.899 -0.674 1.00 0.00 N ATOM 866 CA LYS A 57 10.869 17.476 -1.932 1.00 0.00 C ATOM 867 C LYS A 57 10.536 16.303 -2.849 1.00 0.00 C ATOM 868 O LYS A 57 11.049 15.206 -2.627 1.00 0.00 O ATOM 869 CB LYS A 57 11.998 18.358 -2.484 1.00 0.00 C ATOM 870 CG LYS A 57 12.645 19.217 -1.401 1.00 0.00 C ATOM 871 CD LYS A 57 13.530 20.315 -1.971 1.00 0.00 C ATOM 872 CE LYS A 57 14.109 21.180 -0.858 1.00 0.00 C ATOM 873 NZ LYS A 57 13.043 21.830 -0.044 1.00 0.00 N ATOM 0 H LYS A 57 12.281 16.744 -0.590 1.00 0.00 H new ATOM 0 HA LYS A 57 9.998 18.124 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 57 12.757 17.726 -2.945 1.00 0.00 H new ATOM 0 HB3 LYS A 57 11.602 19.003 -3.268 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.865 19.667 -0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 57 13.240 18.581 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 57 14.340 19.871 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.951 20.935 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.736 20.566 -0.211 1.00 0.00 H new ATOM 0 HE3 LYS A 57 14.752 21.946 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.479 22.449 0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.429 22.396 -0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.476 21.100 0.432 1.00 0.00 H new ATOM 887 N PRO A 58 9.678 16.488 -3.863 1.00 0.00 N ATOM 888 CA PRO A 58 9.272 15.391 -4.754 1.00 0.00 C ATOM 889 C PRO A 58 10.459 14.605 -5.316 1.00 0.00 C ATOM 890 O PRO A 58 11.238 15.116 -6.124 1.00 0.00 O ATOM 891 CB PRO A 58 8.511 16.103 -5.869 1.00 0.00 C ATOM 892 CG PRO A 58 8.012 17.366 -5.251 1.00 0.00 C ATOM 893 CD PRO A 58 9.030 17.762 -4.220 1.00 0.00 C ATOM 0 HA PRO A 58 8.680 14.643 -4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 58 9.160 16.310 -6.720 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.687 15.492 -6.237 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.896 18.147 -6.002 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.034 17.215 -4.794 1.00 0.00 H new ATOM 0 HD2 PRO A 58 9.748 18.478 -4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.562 18.230 -3.354 1.00 0.00 H new ATOM 901 N GLN A 59 10.587 13.360 -4.863 1.00 0.00 N ATOM 902 CA GLN A 59 11.672 12.483 -5.296 1.00 0.00 C ATOM 903 C GLN A 59 11.161 11.435 -6.271 1.00 0.00 C ATOM 904 O GLN A 59 10.155 10.787 -6.023 1.00 0.00 O ATOM 905 CB GLN A 59 12.324 11.792 -4.097 1.00 0.00 C ATOM 906 CG GLN A 59 13.060 12.748 -3.179 1.00 0.00 C ATOM 907 CD GLN A 59 12.863 12.418 -1.719 1.00 0.00 C ATOM 908 OE1 GLN A 59 12.661 13.443 -0.920 1.00 0.00 O flip ATOM 909 NE2 GLN A 59 12.868 11.256 -1.318 1.00 0.00 N flip ATOM 0 H GLN A 59 9.948 12.934 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 59 12.417 13.101 -5.797 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.556 11.270 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.022 11.036 -4.458 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.124 12.724 -3.413 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.715 13.765 -3.368 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.029 10.491 -1.973 1.00 0.00 H new ATOM 0 HE22 GLN A 59 12.711 11.057 -0.330 1.00 0.00 H new ATOM 918 N LYS A 60 11.867 11.284 -7.375 1.00 0.00 N ATOM 919 CA LYS A 60 11.517 10.337 -8.410 1.00 0.00 C ATOM 920 C LYS A 60 11.830 8.940 -7.923 1.00 0.00 C ATOM 921 O LYS A 60 12.858 8.727 -7.275 1.00 0.00 O ATOM 922 CB LYS A 60 12.297 10.648 -9.693 1.00 0.00 C ATOM 923 CG LYS A 60 11.739 9.974 -10.934 1.00 0.00 C ATOM 924 CD LYS A 60 11.933 10.838 -12.171 1.00 0.00 C ATOM 925 CE LYS A 60 11.105 12.114 -12.103 1.00 0.00 C ATOM 926 NZ LYS A 60 11.364 13.003 -13.263 1.00 0.00 N ATOM 0 H LYS A 60 12.709 11.823 -7.578 1.00 0.00 H new ATOM 0 HA LYS A 60 10.453 10.410 -8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.303 11.727 -9.850 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.334 10.339 -9.559 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.231 9.012 -11.080 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.677 9.771 -10.793 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.988 11.094 -12.274 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.654 10.270 -13.059 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.046 11.858 -12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.333 12.646 -11.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.782 13.861 -13.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.370 13.268 -13.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.122 12.504 -14.143 1.00 0.00 H new ATOM 940 N LEU A 61 10.936 8.014 -8.221 1.00 0.00 N ATOM 941 CA LEU A 61 11.081 6.622 -7.802 1.00 0.00 C ATOM 942 C LEU A 61 12.471 6.061 -8.025 1.00 0.00 C ATOM 943 O LEU A 61 12.973 6.035 -9.150 1.00 0.00 O ATOM 944 CB LEU A 61 10.099 5.736 -8.549 1.00 0.00 C ATOM 945 CG LEU A 61 8.696 5.721 -7.982 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.825 4.761 -8.764 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.726 5.358 -6.513 1.00 0.00 C ATOM 0 H LEU A 61 10.089 8.200 -8.759 1.00 0.00 H new ATOM 0 HA LEU A 61 10.882 6.623 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.052 6.065 -9.587 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.484 4.716 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 61 8.267 6.719 -8.074 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.818 4.760 -8.346 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.784 5.074 -9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.244 3.757 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.710 5.351 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.169 4.369 -6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.321 6.092 -5.969 1.00 0.00 H new ATOM 959 N GLY A 62 13.080 5.623 -6.938 1.00 0.00 N ATOM 960 CA GLY A 62 14.382 5.001 -7.017 1.00 0.00 C ATOM 961 C GLY A 62 14.298 3.658 -7.727 1.00 0.00 C ATOM 962 O GLY A 62 13.201 3.164 -7.997 1.00 0.00 O ATOM 0 H GLY A 62 12.693 5.687 -5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 62 15.071 5.656 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.785 4.862 -6.014 1.00 0.00 H new ATOM 966 N GLU A 63 15.443 3.043 -7.986 1.00 0.00 N ATOM 967 CA GLU A 63 15.492 1.761 -8.697 1.00 0.00 C ATOM 968 C GLU A 63 15.226 0.588 -7.768 1.00 0.00 C ATOM 969 O GLU A 63 15.513 -0.564 -8.099 1.00 0.00 O ATOM 970 CB GLU A 63 16.852 1.596 -9.366 1.00 0.00 C ATOM 971 CG GLU A 63 17.335 2.872 -10.017 1.00 0.00 C ATOM 972 CD GLU A 63 18.527 2.651 -10.918 1.00 0.00 C ATOM 973 OE1 GLU A 63 19.662 2.965 -10.497 1.00 0.00 O ATOM 974 OE2 GLU A 63 18.337 2.163 -12.051 1.00 0.00 O ATOM 0 H GLU A 63 16.356 3.408 -7.716 1.00 0.00 H new ATOM 0 HA GLU A 63 14.706 1.768 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 63 17.582 1.272 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.791 0.809 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.522 3.309 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.598 3.593 -9.243 1.00 0.00 H new ATOM 981 N ASP A 64 14.654 0.888 -6.619 1.00 0.00 N ATOM 982 CA ASP A 64 14.341 -0.134 -5.625 1.00 0.00 C ATOM 983 C ASP A 64 12.848 -0.123 -5.320 1.00 0.00 C ATOM 984 O ASP A 64 12.327 -1.002 -4.636 1.00 0.00 O ATOM 985 CB ASP A 64 15.153 0.116 -4.345 1.00 0.00 C ATOM 986 CG ASP A 64 14.900 -0.910 -3.256 1.00 0.00 C ATOM 987 OD1 ASP A 64 15.224 -2.095 -3.464 1.00 0.00 O ATOM 988 OD2 ASP A 64 14.403 -0.525 -2.174 1.00 0.00 O ATOM 0 H ASP A 64 14.393 1.835 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 64 14.608 -1.114 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 64 16.215 0.117 -4.592 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.914 1.108 -3.961 1.00 0.00 H new ATOM 993 N GLU A 65 12.158 0.865 -5.865 1.00 0.00 N ATOM 994 CA GLU A 65 10.736 1.017 -5.633 1.00 0.00 C ATOM 995 C GLU A 65 9.919 0.505 -6.816 1.00 0.00 C ATOM 996 O GLU A 65 9.477 -0.645 -6.812 1.00 0.00 O ATOM 997 CB GLU A 65 10.445 2.484 -5.342 1.00 0.00 C ATOM 998 CG GLU A 65 10.813 2.891 -3.924 1.00 0.00 C ATOM 999 CD GLU A 65 10.811 4.390 -3.713 1.00 0.00 C ATOM 1000 OE1 GLU A 65 11.661 5.078 -4.317 1.00 0.00 O ATOM 1001 OE2 GLU A 65 9.968 4.882 -2.932 1.00 0.00 O ATOM 0 H GLU A 65 12.564 1.576 -6.474 1.00 0.00 H new ATOM 0 HA GLU A 65 10.442 0.414 -4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.997 3.105 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.385 2.678 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.111 2.432 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 65 11.802 2.499 -3.685 1.00 0.00 H new ATOM 1008 N SER A 66 9.748 1.356 -7.827 1.00 0.00 N ATOM 1009 CA SER A 66 8.980 1.017 -9.028 1.00 0.00 C ATOM 1010 C SER A 66 7.516 0.697 -8.681 1.00 0.00 C ATOM 1011 O SER A 66 7.178 -0.414 -8.273 1.00 0.00 O ATOM 1012 CB SER A 66 9.636 -0.156 -9.770 1.00 0.00 C ATOM 1013 OG SER A 66 11.002 0.123 -10.038 1.00 0.00 O ATOM 0 H SER A 66 10.137 2.299 -7.838 1.00 0.00 H new ATOM 0 HA SER A 66 8.980 1.885 -9.687 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.555 -1.063 -9.171 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.107 -0.343 -10.705 1.00 0.00 H new ATOM 0 HG SER A 66 11.404 -0.636 -10.510 1.00 0.00 H new ATOM 1019 N ILE A 67 6.662 1.694 -8.865 1.00 0.00 N ATOM 1020 CA ILE A 67 5.234 1.582 -8.572 1.00 0.00 C ATOM 1021 C ILE A 67 4.490 0.822 -9.664 1.00 0.00 C ATOM 1022 O ILE A 67 4.826 0.957 -10.843 1.00 0.00 O ATOM 1023 CB ILE A 67 4.601 2.987 -8.459 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.050 3.665 -7.177 1.00 0.00 C ATOM 1025 CG2 ILE A 67 3.081 2.937 -8.517 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.400 5.005 -6.960 1.00 0.00 C ATOM 0 H ILE A 67 6.938 2.608 -9.223 1.00 0.00 H new ATOM 0 HA ILE A 67 5.146 1.039 -7.631 1.00 0.00 H new ATOM 0 HB ILE A 67 4.944 3.566 -9.316 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.823 3.016 -6.331 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.132 3.792 -7.200 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.680 3.947 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.767 2.499 -9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.705 2.329 -7.694 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.762 5.438 -6.028 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.648 5.668 -7.789 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.318 4.880 -6.906 1.00 0.00 H new ATOM 1038 N PRO A 68 3.497 -0.011 -9.284 1.00 0.00 N ATOM 1039 CA PRO A 68 2.663 -0.726 -10.247 1.00 0.00 C ATOM 1040 C PRO A 68 2.137 0.242 -11.301 1.00 0.00 C ATOM 1041 O PRO A 68 1.463 1.226 -10.973 1.00 0.00 O ATOM 1042 CB PRO A 68 1.522 -1.271 -9.392 1.00 0.00 C ATOM 1043 CG PRO A 68 2.115 -1.434 -8.033 1.00 0.00 C ATOM 1044 CD PRO A 68 3.146 -0.348 -7.889 1.00 0.00 C ATOM 0 HA PRO A 68 3.196 -1.509 -10.786 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.676 -0.584 -9.376 1.00 0.00 H new ATOM 0 HB3 PRO A 68 1.154 -2.221 -9.781 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.349 -1.348 -7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.569 -2.419 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.747 0.515 -7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 68 4.015 -0.693 -7.329 1.00 0.00 H new ATOM 1052 N GLU A 69 2.429 -0.038 -12.562 1.00 0.00 N ATOM 1053 CA GLU A 69 2.029 0.841 -13.657 1.00 0.00 C ATOM 1054 C GLU A 69 0.515 0.873 -13.889 1.00 0.00 C ATOM 1055 O GLU A 69 0.051 1.361 -14.915 1.00 0.00 O ATOM 1056 CB GLU A 69 2.777 0.469 -14.935 1.00 0.00 C ATOM 1057 CG GLU A 69 4.075 1.244 -15.104 1.00 0.00 C ATOM 1058 CD GLU A 69 5.272 0.357 -15.352 1.00 0.00 C ATOM 1059 OE1 GLU A 69 5.700 -0.360 -14.417 1.00 0.00 O ATOM 1060 OE2 GLU A 69 5.807 0.393 -16.476 1.00 0.00 O ATOM 0 H GLU A 69 2.943 -0.869 -12.856 1.00 0.00 H new ATOM 0 HA GLU A 69 2.305 1.854 -13.364 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.995 -0.599 -14.925 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.133 0.655 -15.795 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.969 1.940 -15.936 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.253 1.841 -14.209 1.00 0.00 H new ATOM 1067 N GLU A 70 -0.249 0.359 -12.940 1.00 0.00 N ATOM 1068 CA GLU A 70 -1.696 0.391 -13.035 1.00 0.00 C ATOM 1069 C GLU A 70 -2.246 1.451 -12.078 1.00 0.00 C ATOM 1070 O GLU A 70 -3.389 1.887 -12.204 1.00 0.00 O ATOM 1071 CB GLU A 70 -2.305 -0.982 -12.723 1.00 0.00 C ATOM 1072 CG GLU A 70 -1.968 -1.516 -11.335 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.017 -2.475 -10.812 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -3.450 -2.318 -9.649 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -3.420 -3.394 -11.556 1.00 0.00 O ATOM 0 H GLU A 70 0.110 -0.085 -12.095 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.972 0.648 -14.058 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.389 -0.917 -12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.960 -1.698 -13.469 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.003 -2.021 -11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.867 -0.680 -10.642 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.408 1.881 -11.130 1.00 0.00 N ATOM 1083 CA ILE A 71 -1.816 2.878 -10.143 1.00 0.00 C ATOM 1084 C ILE A 71 -0.935 4.129 -10.225 1.00 0.00 C ATOM 1085 O ILE A 71 -1.311 5.201 -9.751 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.755 2.299 -8.709 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.306 2.096 -8.270 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.505 0.979 -8.640 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.166 1.642 -6.838 1.00 0.00 C ATOM 0 H ILE A 71 -0.447 1.554 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.845 3.155 -10.371 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.228 3.012 -8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.163 1.360 -8.923 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.239 3.031 -8.401 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.453 0.584 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.548 1.138 -8.915 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.053 0.267 -9.330 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.890 1.519 -6.597 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.605 2.388 -6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.682 0.691 -6.706 1.00 0.00 H new ATOM 1101 N ILE A 72 0.226 3.967 -10.849 1.00 0.00 N ATOM 1102 CA ILE A 72 1.223 5.033 -11.024 1.00 0.00 C ATOM 1103 C ILE A 72 0.645 6.301 -11.651 1.00 0.00 C ATOM 1104 O ILE A 72 1.118 7.402 -11.389 1.00 0.00 O ATOM 1105 CB ILE A 72 2.370 4.500 -11.904 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.635 5.359 -11.759 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.946 4.372 -13.362 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.791 6.439 -12.810 1.00 0.00 C ATOM 0 H ILE A 72 0.512 3.077 -11.257 1.00 0.00 H new ATOM 0 HA ILE A 72 1.582 5.310 -10.033 1.00 0.00 H new ATOM 0 HB ILE A 72 2.613 3.499 -11.549 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.629 5.827 -10.775 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.507 4.706 -11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.781 3.993 -13.952 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.106 3.682 -13.437 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.648 5.349 -13.741 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.711 6.994 -12.628 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.833 5.981 -13.798 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.941 7.120 -12.761 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.382 6.151 -12.464 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.979 7.288 -13.136 1.00 0.00 C ATOM 1122 C ASN A 73 -2.233 7.753 -12.410 1.00 0.00 C ATOM 1123 O ASN A 73 -3.036 8.511 -12.950 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.292 6.913 -14.582 1.00 0.00 C ATOM 1125 CG ASN A 73 -1.127 8.076 -15.536 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -2.071 8.814 -15.807 1.00 0.00 O ATOM 1127 ND2 ASN A 73 0.081 8.243 -16.054 1.00 0.00 N ATOM 0 H ASN A 73 -0.820 5.254 -12.675 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.272 8.118 -13.128 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.637 6.099 -14.892 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.315 6.540 -14.643 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.255 9.008 -16.705 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.837 7.606 -15.801 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.394 7.308 -11.173 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.575 7.703 -10.414 1.00 0.00 C ATOM 1136 C GLY A 74 -3.280 8.216 -9.023 1.00 0.00 C ATOM 1137 O GLY A 74 -4.126 8.082 -8.140 1.00 0.00 O ATOM 0 H GLY A 74 -1.745 6.692 -10.683 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.106 8.477 -10.968 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.246 6.847 -10.338 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.110 8.840 -8.844 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.691 9.370 -7.539 1.00 0.00 C ATOM 1143 C LYS A 75 -1.671 8.245 -6.511 1.00 0.00 C ATOM 1144 O LYS A 75 -2.709 7.793 -6.023 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.592 10.527 -7.088 1.00 0.00 C ATOM 1146 CG LYS A 75 -1.983 11.394 -5.995 1.00 0.00 C ATOM 1147 CD LYS A 75 -2.443 12.841 -6.122 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.810 13.734 -5.065 1.00 0.00 C ATOM 1149 NZ LYS A 75 -2.229 15.155 -5.220 1.00 0.00 N ATOM 0 H LYS A 75 -1.432 8.991 -9.591 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.683 9.774 -7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.820 11.154 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.538 10.120 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.266 11.004 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.896 11.348 -6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.189 13.217 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.528 12.886 -6.032 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.090 13.378 -4.073 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.724 13.665 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.778 15.732 -4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.940 15.502 -6.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.263 15.224 -5.129 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.484 7.816 -6.154 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.356 6.697 -5.236 1.00 0.00 C ATOM 1165 C CYS A 76 0.042 7.152 -3.849 1.00 0.00 C ATOM 1166 O CYS A 76 0.377 8.310 -3.627 1.00 0.00 O ATOM 1167 CB CYS A 76 0.672 5.692 -5.759 1.00 0.00 C ATOM 1168 SG CYS A 76 0.613 5.435 -7.543 1.00 0.00 S ATOM 0 H CYS A 76 0.398 8.214 -6.476 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.334 6.219 -5.170 1.00 0.00 H new ATOM 0 HB2 CYS A 76 1.670 6.034 -5.485 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.515 4.736 -5.260 1.00 0.00 H new ATOM 0 HG CYS A 76 1.308 6.358 -8.138 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.027 6.226 -2.918 1.00 0.00 N ATOM 1175 CA PHE A 77 0.336 6.481 -1.545 1.00 0.00 C ATOM 1176 C PHE A 77 1.041 5.265 -0.985 1.00 0.00 C ATOM 1177 O PHE A 77 0.463 4.182 -0.905 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.901 6.817 -0.703 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.610 8.054 -1.167 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -2.837 7.970 -1.797 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -1.036 9.298 -0.992 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -3.478 9.104 -2.248 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -1.672 10.437 -1.436 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.894 10.341 -2.068 1.00 0.00 C ATOM 0 H PHE A 77 -0.338 5.271 -3.095 1.00 0.00 H new ATOM 0 HA PHE A 77 1.005 7.341 -1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.593 5.976 -0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.601 6.946 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.299 7.004 -1.938 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.077 9.379 -0.501 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.435 9.024 -2.741 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.214 11.404 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.392 11.232 -2.421 1.00 0.00 H new ATOM 1194 N PHE A 78 2.298 5.433 -0.632 1.00 0.00 N ATOM 1195 CA PHE A 78 3.056 4.334 -0.076 1.00 0.00 C ATOM 1196 C PHE A 78 2.731 4.244 1.393 1.00 0.00 C ATOM 1197 O PHE A 78 3.267 4.988 2.209 1.00 0.00 O ATOM 1198 CB PHE A 78 4.560 4.525 -0.271 1.00 0.00 C ATOM 1199 CG PHE A 78 5.381 3.364 0.214 1.00 0.00 C ATOM 1200 CD1 PHE A 78 6.086 3.448 1.401 1.00 0.00 C ATOM 1201 CD2 PHE A 78 5.444 2.190 -0.517 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.841 2.382 1.849 1.00 0.00 C ATOM 1203 CE2 PHE A 78 6.198 1.120 -0.075 1.00 0.00 C ATOM 1204 CZ PHE A 78 6.898 1.217 1.111 1.00 0.00 C ATOM 0 H PHE A 78 2.811 6.310 -0.719 1.00 0.00 H new ATOM 0 HA PHE A 78 2.784 3.413 -0.592 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.763 4.686 -1.330 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.875 5.427 0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.046 4.357 1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.897 2.110 -1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 78 7.387 2.460 2.777 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.240 0.210 -0.656 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.489 0.383 1.461 1.00 0.00 H new ATOM 1214 N ILE A 79 1.825 3.354 1.718 1.00 0.00 N ATOM 1215 CA ILE A 79 1.401 3.187 3.083 1.00 0.00 C ATOM 1216 C ILE A 79 2.043 1.998 3.719 1.00 0.00 C ATOM 1217 O ILE A 79 2.628 1.132 3.068 1.00 0.00 O ATOM 1218 CB ILE A 79 -0.112 2.973 3.207 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.457 1.550 2.758 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.883 4.022 2.419 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.801 1.419 2.097 1.00 0.00 C ATOM 0 H ILE A 79 1.367 2.733 1.051 1.00 0.00 H new ATOM 0 HA ILE A 79 1.697 4.111 3.581 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.410 3.090 4.249 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.311 1.204 2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.426 0.890 3.625 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.953 3.844 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.640 5.014 2.800 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.609 3.960 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.966 0.380 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.580 1.732 2.792 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.833 2.050 1.209 1.00 0.00 H new ATOM 1233 N HIS A 80 1.907 1.990 5.003 1.00 0.00 N ATOM 1234 CA HIS A 80 2.368 0.927 5.818 1.00 0.00 C ATOM 1235 C HIS A 80 1.185 0.545 6.688 1.00 0.00 C ATOM 1236 O HIS A 80 0.807 1.295 7.593 1.00 0.00 O ATOM 1237 CB HIS A 80 3.586 1.405 6.601 1.00 0.00 C ATOM 1238 CG HIS A 80 3.807 0.710 7.898 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.578 -0.417 8.036 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.353 1.015 9.121 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.589 -0.782 9.304 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.851 0.075 9.988 1.00 0.00 N ATOM 0 H HIS A 80 1.460 2.744 5.524 1.00 0.00 H new ATOM 0 HA HIS A 80 2.699 0.048 5.265 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.473 1.276 5.980 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.482 2.473 6.791 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.065 -0.896 7.279 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.713 1.847 9.377 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.111 -1.634 9.713 1.00 0.00 H new ATOM 1251 N TYR A 81 0.551 -0.566 6.337 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.632 -1.048 7.042 1.00 0.00 C ATOM 1253 C TYR A 81 -0.418 -1.069 8.551 1.00 0.00 C ATOM 1254 O TYR A 81 0.422 -1.813 9.068 1.00 0.00 O ATOM 1255 CB TYR A 81 -1.021 -2.431 6.529 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.647 -2.392 5.154 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -0.929 -2.777 4.033 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -2.955 -1.959 4.978 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -1.492 -2.737 2.774 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -3.527 -1.915 3.720 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.791 -2.304 2.622 1.00 0.00 C ATOM 1262 OH TYR A 81 -3.355 -2.259 1.368 1.00 0.00 O ATOM 0 H TYR A 81 0.840 -1.158 5.558 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.449 -0.355 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -0.135 -3.066 6.502 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.720 -2.889 7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 81 0.090 -3.115 4.147 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.534 -1.652 5.837 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.918 -3.043 1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.546 -1.577 3.599 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.182 -3.103 0.901 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.181 -0.230 9.238 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.099 -0.107 10.691 1.00 0.00 C ATOM 1274 C GLN A 82 -1.611 -1.371 11.379 1.00 0.00 C ATOM 1275 O GLN A 82 -2.679 -1.884 11.046 1.00 0.00 O ATOM 1276 CB GLN A 82 -1.909 1.103 11.176 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.648 2.377 10.387 1.00 0.00 C ATOM 1278 CD GLN A 82 -2.321 3.598 10.992 1.00 0.00 C ATOM 1279 OE1 GLN A 82 -1.847 4.721 10.835 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -3.422 3.385 11.698 1.00 0.00 N ATOM 0 H GLN A 82 -1.873 0.384 8.808 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.050 0.034 10.952 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.971 0.863 11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -1.679 1.284 12.226 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.573 2.551 10.333 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.001 2.243 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.784 2.437 11.805 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -3.908 4.169 12.134 1.00 0.00 H new ATOM 1289 N GLY A 83 -0.831 -1.874 12.327 1.00 0.00 N ATOM 1290 CA GLY A 83 -1.222 -3.064 13.058 1.00 0.00 C ATOM 1291 C GLY A 83 -0.696 -4.341 12.439 1.00 0.00 C ATOM 1292 O GLY A 83 -0.792 -5.412 13.040 1.00 0.00 O ATOM 0 H GLY A 83 0.068 -1.478 12.603 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.860 -2.988 14.083 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.310 -3.112 13.107 1.00 0.00 H new ATOM 1296 N TRP A 84 -0.143 -4.238 11.242 1.00 0.00 N ATOM 1297 CA TRP A 84 0.392 -5.403 10.563 1.00 0.00 C ATOM 1298 C TRP A 84 1.912 -5.471 10.702 1.00 0.00 C ATOM 1299 O TRP A 84 2.436 -5.655 11.801 1.00 0.00 O ATOM 1300 CB TRP A 84 -0.017 -5.397 9.087 1.00 0.00 C ATOM 1301 CG TRP A 84 -1.468 -5.711 8.867 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -2.403 -4.896 8.297 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -2.150 -6.926 9.214 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -3.623 -5.527 8.262 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -3.495 -6.773 8.821 1.00 0.00 C ATOM 1306 CE3 TRP A 84 -1.757 -8.126 9.816 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -4.445 -7.776 9.014 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -2.701 -9.119 10.005 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -4.030 -8.939 9.604 1.00 0.00 C ATOM 0 H TRP A 84 -0.054 -3.364 10.724 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.027 -6.292 11.035 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.203 -4.418 8.661 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.590 -6.124 8.547 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.212 -3.900 7.927 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.484 -5.133 7.882 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.734 -8.275 10.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -5.472 -7.640 8.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.408 -10.049 10.470 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -4.743 -9.735 9.764 1.00 0.00 H new ATOM 1320 N LYS A 85 2.618 -5.300 9.591 1.00 0.00 N ATOM 1321 CA LYS A 85 4.071 -5.366 9.592 1.00 0.00 C ATOM 1322 C LYS A 85 4.627 -4.589 8.398 1.00 0.00 C ATOM 1323 O LYS A 85 3.880 -4.229 7.489 1.00 0.00 O ATOM 1324 CB LYS A 85 4.513 -6.841 9.547 1.00 0.00 C ATOM 1325 CG LYS A 85 6.019 -7.052 9.508 1.00 0.00 C ATOM 1326 CD LYS A 85 6.534 -7.755 10.753 1.00 0.00 C ATOM 1327 CE LYS A 85 7.979 -8.182 10.570 1.00 0.00 C ATOM 1328 NZ LYS A 85 8.677 -8.368 11.868 1.00 0.00 N ATOM 0 H LYS A 85 2.205 -5.114 8.677 1.00 0.00 H new ATOM 0 HA LYS A 85 4.462 -4.912 10.503 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.110 -7.354 10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 85 4.071 -7.312 8.669 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.279 -7.640 8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.516 -6.088 9.406 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.452 -7.089 11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.916 -8.627 10.966 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.012 -9.113 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.506 -7.432 9.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.660 -8.659 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.669 -7.473 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 8.191 -9.102 12.421 1.00 0.00 H new ATOM 1342 N SER A 86 5.932 -4.335 8.409 1.00 0.00 N ATOM 1343 CA SER A 86 6.599 -3.605 7.341 1.00 0.00 C ATOM 1344 C SER A 86 6.545 -4.369 6.011 1.00 0.00 C ATOM 1345 O SER A 86 6.790 -3.801 4.947 1.00 0.00 O ATOM 1346 CB SER A 86 8.048 -3.355 7.745 1.00 0.00 C ATOM 1347 OG SER A 86 8.306 -3.871 9.044 1.00 0.00 O ATOM 0 H SER A 86 6.556 -4.631 9.160 1.00 0.00 H new ATOM 0 HA SER A 86 6.081 -2.658 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.717 -3.823 7.023 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.256 -2.285 7.726 1.00 0.00 H new ATOM 0 HG SER A 86 9.241 -3.702 9.283 1.00 0.00 H new ATOM 1353 N SER A 87 6.220 -5.658 6.071 1.00 0.00 N ATOM 1354 CA SER A 87 6.124 -6.479 4.871 1.00 0.00 C ATOM 1355 C SER A 87 4.817 -6.190 4.135 1.00 0.00 C ATOM 1356 O SER A 87 4.539 -6.753 3.075 1.00 0.00 O ATOM 1357 CB SER A 87 6.218 -7.960 5.245 1.00 0.00 C ATOM 1358 OG SER A 87 5.818 -8.166 6.592 1.00 0.00 O ATOM 0 H SER A 87 6.019 -6.155 6.939 1.00 0.00 H new ATOM 0 HA SER A 87 6.952 -6.235 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.587 -8.549 4.579 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.241 -8.310 5.107 1.00 0.00 H new ATOM 0 HG SER A 87 5.884 -9.119 6.811 1.00 0.00 H new ATOM 1364 N TRP A 88 4.021 -5.294 4.705 1.00 0.00 N ATOM 1365 CA TRP A 88 2.751 -4.912 4.120 1.00 0.00 C ATOM 1366 C TRP A 88 2.852 -3.528 3.499 1.00 0.00 C ATOM 1367 O TRP A 88 1.872 -3.000 2.976 1.00 0.00 O ATOM 1368 CB TRP A 88 1.643 -4.943 5.172 1.00 0.00 C ATOM 1369 CG TRP A 88 1.103 -6.320 5.420 1.00 0.00 C ATOM 1370 CD1 TRP A 88 1.503 -7.193 6.388 1.00 0.00 C ATOM 1371 CD2 TRP A 88 0.074 -6.985 4.676 1.00 0.00 C ATOM 1372 NE1 TRP A 88 0.780 -8.357 6.299 1.00 0.00 N ATOM 1373 CE2 TRP A 88 -0.103 -8.254 5.257 1.00 0.00 C ATOM 1374 CE3 TRP A 88 -0.720 -6.630 3.582 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 -1.040 -9.167 4.778 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 -1.646 -7.537 3.105 1.00 0.00 C ATOM 1377 CH2 TRP A 88 -1.801 -8.793 3.704 1.00 0.00 C ATOM 0 H TRP A 88 4.239 -4.817 5.580 1.00 0.00 H new ATOM 0 HA TRP A 88 2.502 -5.629 3.338 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.027 -4.536 6.107 1.00 0.00 H new ATOM 0 HB3 TRP A 88 0.829 -4.292 4.852 1.00 0.00 H new ATOM 0 HD1 TRP A 88 2.275 -6.998 7.118 1.00 0.00 H new ATOM 0 HE1 TRP A 88 0.884 -9.167 6.910 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -0.611 -5.661 3.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.162 -10.136 5.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -2.260 -7.273 2.257 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -2.536 -9.480 3.311 1.00 0.00 H new ATOM 1388 N ASP A 89 4.039 -2.936 3.581 1.00 0.00 N ATOM 1389 CA ASP A 89 4.278 -1.622 3.001 1.00 0.00 C ATOM 1390 C ASP A 89 4.067 -1.708 1.491 1.00 0.00 C ATOM 1391 O ASP A 89 4.842 -2.355 0.779 1.00 0.00 O ATOM 1392 CB ASP A 89 5.698 -1.136 3.329 1.00 0.00 C ATOM 1393 CG ASP A 89 5.864 -0.703 4.782 1.00 0.00 C ATOM 1394 OD1 ASP A 89 6.637 0.244 5.041 1.00 0.00 O ATOM 1395 OD2 ASP A 89 5.232 -1.315 5.676 1.00 0.00 O ATOM 0 H ASP A 89 4.850 -3.347 4.044 1.00 0.00 H new ATOM 0 HA ASP A 89 3.579 -0.900 3.424 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.408 -1.934 3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.949 -0.300 2.676 1.00 0.00 H new ATOM 1400 N GLU A 90 3.003 -1.078 1.011 1.00 0.00 N ATOM 1401 CA GLU A 90 2.665 -1.127 -0.403 1.00 0.00 C ATOM 1402 C GLU A 90 2.072 0.194 -0.886 1.00 0.00 C ATOM 1403 O GLU A 90 1.600 1.012 -0.091 1.00 0.00 O ATOM 1404 CB GLU A 90 1.671 -2.273 -0.645 1.00 0.00 C ATOM 1405 CG GLU A 90 1.419 -2.587 -2.111 1.00 0.00 C ATOM 1406 CD GLU A 90 2.695 -2.868 -2.875 1.00 0.00 C ATOM 1407 OE1 GLU A 90 3.072 -4.052 -2.990 1.00 0.00 O ATOM 1408 OE2 GLU A 90 3.327 -1.907 -3.365 1.00 0.00 O ATOM 0 H GLU A 90 2.360 -0.528 1.581 1.00 0.00 H new ATOM 0 HA GLU A 90 3.579 -1.301 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.044 -3.171 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.722 -2.021 -0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.758 -3.451 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.900 -1.748 -2.574 1.00 0.00 H new ATOM 1415 N TRP A 91 2.111 0.393 -2.195 1.00 0.00 N ATOM 1416 CA TRP A 91 1.576 1.594 -2.814 1.00 0.00 C ATOM 1417 C TRP A 91 0.095 1.416 -3.139 1.00 0.00 C ATOM 1418 O TRP A 91 -0.285 0.456 -3.807 1.00 0.00 O ATOM 1419 CB TRP A 91 2.311 1.896 -4.121 1.00 0.00 C ATOM 1420 CG TRP A 91 3.690 2.458 -3.970 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.864 1.766 -4.020 1.00 0.00 C ATOM 1422 CD2 TRP A 91 4.040 3.834 -3.784 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.924 2.628 -3.890 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.446 3.903 -3.741 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.308 5.018 -3.654 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.126 5.105 -3.577 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.991 6.208 -3.487 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.387 6.244 -3.453 1.00 0.00 C ATOM 0 H TRP A 91 2.513 -0.272 -2.855 1.00 0.00 H new ATOM 0 HA TRP A 91 1.710 2.414 -2.109 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.374 0.976 -4.703 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.712 2.599 -4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.947 0.696 -4.144 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.909 2.362 -3.902 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.229 5.003 -3.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.205 5.135 -3.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.435 7.128 -3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.890 7.191 -3.326 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.738 2.331 -2.673 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.161 2.271 -2.975 1.00 0.00 C ATOM 1441 C VAL A 92 -2.555 3.494 -3.784 1.00 0.00 C ATOM 1442 O VAL A 92 -1.908 4.529 -3.694 1.00 0.00 O ATOM 1443 CB VAL A 92 -3.043 2.177 -1.713 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.939 0.794 -1.098 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.669 3.256 -0.713 1.00 0.00 C ATOM 0 H VAL A 92 -0.458 3.119 -2.089 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.331 1.359 -3.547 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.081 2.341 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.567 0.743 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.272 0.049 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.903 0.595 -0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.304 3.171 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.625 3.136 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.809 4.237 -1.167 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.604 3.375 -4.574 1.00 0.00 N ATOM 1456 CA GLY A 93 -4.037 4.497 -5.386 1.00 0.00 C ATOM 1457 C GLY A 93 -5.344 5.069 -4.891 1.00 0.00 C ATOM 1458 O GLY A 93 -6.036 4.409 -4.127 1.00 0.00 O ATOM 0 H GLY A 93 -4.165 2.528 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.272 5.273 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.149 4.176 -6.422 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.677 6.283 -5.336 1.00 0.00 N ATOM 1463 CA TYR A 94 -6.921 6.998 -4.967 1.00 0.00 C ATOM 1464 C TYR A 94 -8.188 6.179 -5.180 1.00 0.00 C ATOM 1465 O TYR A 94 -9.284 6.580 -4.791 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.039 8.252 -5.813 1.00 0.00 C ATOM 1467 CG TYR A 94 -6.683 9.500 -5.074 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -7.460 9.938 -4.016 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -5.575 10.239 -5.429 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -7.139 11.082 -3.329 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -5.241 11.384 -4.751 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.026 11.809 -3.699 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.695 12.959 -3.014 1.00 0.00 O ATOM 0 H TYR A 94 -5.085 6.814 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.843 7.216 -3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.391 8.156 -6.684 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.060 8.337 -6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -8.332 9.371 -3.726 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.960 9.911 -6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.754 11.411 -2.504 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.368 11.950 -5.039 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.884 13.349 -3.402 1.00 0.00 H new ATOM 1483 N ASP A 95 -8.020 5.051 -5.799 1.00 0.00 N ATOM 1484 CA ASP A 95 -9.136 4.166 -6.116 1.00 0.00 C ATOM 1485 C ASP A 95 -9.188 2.997 -5.154 1.00 0.00 C ATOM 1486 O ASP A 95 -10.180 2.278 -5.081 1.00 0.00 O ATOM 1487 CB ASP A 95 -9.035 3.666 -7.556 1.00 0.00 C ATOM 1488 CG ASP A 95 -9.440 4.727 -8.556 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -8.766 4.863 -9.598 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -10.433 5.444 -8.301 1.00 0.00 O ATOM 0 H ASP A 95 -7.111 4.704 -6.105 1.00 0.00 H new ATOM 0 HA ASP A 95 -10.059 4.737 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -8.012 3.349 -7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -9.671 2.789 -7.680 1.00 0.00 H new ATOM 1495 N ARG A 96 -8.112 2.820 -4.414 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.017 1.750 -3.437 1.00 0.00 C ATOM 1497 C ARG A 96 -7.970 2.352 -2.044 1.00 0.00 C ATOM 1498 O ARG A 96 -8.427 1.760 -1.076 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.751 0.913 -3.656 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.902 -0.230 -4.648 1.00 0.00 C ATOM 1501 CD ARG A 96 -5.853 -1.304 -4.402 1.00 0.00 C ATOM 1502 NE ARG A 96 -5.629 -2.153 -5.574 1.00 0.00 N ATOM 1503 CZ ARG A 96 -5.270 -3.435 -5.502 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -5.157 -4.034 -4.317 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -5.032 -4.118 -6.614 1.00 0.00 N ATOM 0 H ARG A 96 -7.282 3.410 -4.471 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.887 1.104 -3.549 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.953 1.571 -4.001 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -6.434 0.503 -2.697 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.899 -0.663 -4.561 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.807 0.151 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -4.914 -0.830 -4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.165 -1.925 -3.562 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.755 -1.740 -6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -5.345 -3.512 -3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.882 -5.015 -4.266 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -5.124 -3.662 -7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.757 -5.099 -6.561 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.408 3.543 -1.966 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.255 4.246 -0.712 1.00 0.00 C ATOM 1521 C ILE A 97 -8.428 5.192 -0.444 1.00 0.00 C ATOM 1522 O ILE A 97 -8.928 5.865 -1.350 1.00 0.00 O ATOM 1523 CB ILE A 97 -5.921 5.017 -0.704 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.660 5.649 0.637 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -5.909 6.090 -1.758 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.262 6.207 0.758 1.00 0.00 C ATOM 0 H ILE A 97 -7.045 4.049 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.248 3.508 0.090 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.136 4.291 -0.916 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.381 6.449 0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.820 4.908 1.420 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.956 6.618 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.043 5.637 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -6.719 6.794 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.131 6.650 1.745 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.537 5.405 0.621 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.107 6.970 -0.005 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.869 5.198 0.806 1.00 0.00 N ATOM 1539 CA ARG A 98 -9.975 6.030 1.262 1.00 0.00 C ATOM 1540 C ARG A 98 -9.544 6.810 2.503 1.00 0.00 C ATOM 1541 O ARG A 98 -8.441 6.606 3.007 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.197 5.164 1.584 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.690 4.327 0.408 1.00 0.00 C ATOM 1544 CD ARG A 98 -11.899 5.193 -0.830 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.952 4.683 -1.717 1.00 0.00 N ATOM 1546 CZ ARG A 98 -13.070 5.018 -3.006 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -12.126 5.739 -3.597 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -14.117 4.595 -3.707 1.00 0.00 N ATOM 0 H ARG A 98 -8.464 4.618 1.541 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.247 6.728 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.951 4.499 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.008 5.809 1.923 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.968 3.541 0.188 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.626 3.835 0.674 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.153 6.206 -0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.963 5.255 -1.385 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.635 4.034 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.307 6.039 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -12.219 5.993 -4.581 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.829 4.016 -3.261 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.209 4.850 -4.690 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.423 7.652 3.031 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.101 8.457 4.175 1.00 0.00 C ATOM 1564 C ALA A 99 -10.465 7.701 5.409 1.00 0.00 C ATOM 1565 O ALA A 99 -11.623 7.324 5.605 1.00 0.00 O ATOM 1566 CB ALA A 99 -10.843 9.785 4.158 1.00 0.00 C ATOM 0 H ALA A 99 -11.369 7.787 2.673 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.033 8.674 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.572 10.365 5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.572 10.342 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.917 9.602 4.160 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.479 7.446 6.215 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.694 6.751 7.447 1.00 0.00 C ATOM 1574 C TYR A 100 -10.483 7.675 8.366 1.00 0.00 C ATOM 1575 O TYR A 100 -9.934 8.566 9.013 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.323 6.374 7.986 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.254 5.882 9.415 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.261 4.522 9.693 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.156 6.765 10.480 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.173 4.059 10.990 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.070 6.311 11.780 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.079 4.956 12.032 1.00 0.00 C ATOM 1583 OH TYR A 100 -7.990 4.498 13.326 1.00 0.00 O ATOM 0 H TYR A 100 -8.510 7.712 6.039 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.274 5.834 7.342 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.908 5.599 7.341 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -7.674 7.245 7.897 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.337 3.814 8.881 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.147 7.828 10.288 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.178 2.997 11.188 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.996 7.014 12.596 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.929 5.260 13.939 1.00 0.00 H new ATOM 1593 N ASN A 101 -11.790 7.481 8.357 1.00 0.00 N ATOM 1594 CA ASN A 101 -12.701 8.271 9.151 1.00 0.00 C ATOM 1595 C ASN A 101 -13.868 7.394 9.554 1.00 0.00 C ATOM 1596 O ASN A 101 -14.097 6.347 8.945 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.188 9.503 8.371 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.404 9.220 7.503 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -15.538 9.423 7.925 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.179 8.745 6.285 1.00 0.00 N ATOM 0 H ASN A 101 -12.248 6.765 7.793 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.188 8.636 10.041 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -13.430 10.299 9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -12.378 9.870 7.741 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.963 8.536 5.666 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.222 8.588 5.967 1.00 0.00 H new ATOM 1607 N GLU A 102 -14.611 7.843 10.540 1.00 0.00 N ATOM 1608 CA GLU A 102 -15.740 7.090 11.085 1.00 0.00 C ATOM 1609 C GLU A 102 -16.663 6.506 10.012 1.00 0.00 C ATOM 1610 O GLU A 102 -17.062 5.351 10.114 1.00 0.00 O ATOM 1611 CB GLU A 102 -16.554 7.962 12.041 1.00 0.00 C ATOM 1612 CG GLU A 102 -15.724 8.615 13.134 1.00 0.00 C ATOM 1613 CD GLU A 102 -15.186 9.966 12.717 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -15.848 10.987 13.002 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -14.109 10.016 12.089 1.00 0.00 O ATOM 0 H GLU A 102 -14.456 8.743 10.995 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.305 6.247 11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.059 8.740 11.468 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.330 7.352 12.503 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.334 8.730 14.030 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.893 7.960 13.396 1.00 0.00 H new ATOM 1622 N GLU A 103 -16.972 7.283 8.982 1.00 0.00 N ATOM 1623 CA GLU A 103 -17.876 6.836 7.919 1.00 0.00 C ATOM 1624 C GLU A 103 -17.303 5.671 7.103 1.00 0.00 C ATOM 1625 O GLU A 103 -18.025 4.738 6.752 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.196 7.999 6.979 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.395 7.746 6.080 1.00 0.00 C ATOM 1628 CD GLU A 103 -19.641 8.880 5.113 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -19.128 8.817 3.979 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -20.359 9.835 5.479 1.00 0.00 O ATOM 0 H GLU A 103 -16.611 8.229 8.856 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.783 6.481 8.408 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.381 8.894 7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.324 8.203 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -19.238 6.823 5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -20.282 7.599 6.696 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.006 5.706 6.829 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.378 4.664 6.018 1.00 0.00 C ATOM 1639 C ASN A 104 -15.012 3.464 6.863 1.00 0.00 C ATOM 1640 O ASN A 104 -15.142 2.316 6.438 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.127 5.196 5.322 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.425 5.786 3.960 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.613 6.990 3.825 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.479 4.938 2.940 1.00 0.00 N ATOM 0 H ASN A 104 -15.371 6.436 7.151 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.102 4.357 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.662 5.956 5.950 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.404 4.387 5.213 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.683 5.281 2.001 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.316 3.943 3.095 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.559 3.741 8.070 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.157 2.704 8.986 1.00 0.00 C ATOM 1653 C ILE A 105 -15.365 1.928 9.461 1.00 0.00 C ATOM 1654 O ILE A 105 -15.285 0.722 9.686 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.434 3.287 10.183 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.314 4.211 9.706 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -12.883 2.176 11.064 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.554 4.826 10.840 1.00 0.00 C ATOM 0 H ILE A 105 -14.461 4.688 8.437 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.478 2.036 8.457 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.138 3.868 10.779 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.626 3.647 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.739 5.001 9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.367 2.612 11.919 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.703 1.550 11.416 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -12.184 1.569 10.489 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.771 5.473 10.445 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.233 5.414 11.457 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.104 4.039 11.445 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.490 2.633 9.610 1.00 0.00 N ATOM 1671 CA ALA A 106 -17.727 2.000 10.031 1.00 0.00 C ATOM 1672 C ALA A 106 -18.068 0.880 9.070 1.00 0.00 C ATOM 1673 O ALA A 106 -18.628 -0.148 9.458 1.00 0.00 O ATOM 1674 CB ALA A 106 -18.868 3.004 10.104 1.00 0.00 C ATOM 0 H ALA A 106 -16.562 3.637 9.445 1.00 0.00 H new ATOM 0 HA ALA A 106 -17.586 1.593 11.032 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -19.779 2.497 10.422 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.619 3.786 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.025 3.449 9.121 1.00 0.00 H new ATOM 1680 N MET A 107 -17.709 1.084 7.806 1.00 0.00 N ATOM 1681 CA MET A 107 -17.938 0.075 6.795 1.00 0.00 C ATOM 1682 C MET A 107 -16.979 -1.064 7.036 1.00 0.00 C ATOM 1683 O MET A 107 -17.406 -2.179 7.113 1.00 0.00 O ATOM 1684 CB MET A 107 -17.744 0.606 5.373 1.00 0.00 C ATOM 1685 CG MET A 107 -18.621 -0.080 4.337 1.00 0.00 C ATOM 1686 SD MET A 107 -18.247 0.454 2.653 1.00 0.00 S ATOM 1687 CE MET A 107 -19.327 -0.622 1.713 1.00 0.00 C ATOM 0 H MET A 107 -17.262 1.935 7.466 1.00 0.00 H new ATOM 0 HA MET A 107 -18.975 -0.251 6.875 1.00 0.00 H new ATOM 0 HB2 MET A 107 -17.954 1.675 5.363 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.699 0.484 5.089 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.488 -1.159 4.411 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.668 0.128 4.557 1.00 0.00 H new ATOM 0 HE1 MET A 107 -19.212 -0.414 0.649 1.00 0.00 H new ATOM 0 HE2 MET A 107 -19.066 -1.662 1.910 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.362 -0.446 2.007 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.684 -0.753 7.206 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.641 -1.757 7.439 1.00 0.00 C ATOM 1699 C LYS A 108 -15.030 -2.701 8.572 1.00 0.00 C ATOM 1700 O LYS A 108 -14.877 -3.915 8.463 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.315 -1.060 7.764 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.136 -2.010 7.889 1.00 0.00 C ATOM 1703 CD LYS A 108 -10.832 -1.249 8.055 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.597 -0.807 9.490 1.00 0.00 C ATOM 1705 NZ LYS A 108 -10.284 -1.952 10.391 1.00 0.00 N ATOM 0 H LYS A 108 -15.333 0.205 7.185 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.526 -2.350 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.099 -0.329 6.985 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.425 -0.508 8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.286 -2.670 8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -12.080 -2.643 7.003 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -10.003 -1.879 7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -10.840 -0.374 7.405 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.775 -0.091 9.517 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -11.483 -0.290 9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -9.780 -1.605 11.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -11.168 -2.415 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.685 -2.637 9.887 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.518 -2.129 9.658 1.00 0.00 N ATOM 1720 CA LYS A 109 -15.963 -2.923 10.811 1.00 0.00 C ATOM 1721 C LYS A 109 -17.094 -3.861 10.398 1.00 0.00 C ATOM 1722 O LYS A 109 -17.052 -5.067 10.652 1.00 0.00 O ATOM 1723 CB LYS A 109 -16.433 -2.014 11.955 1.00 0.00 C ATOM 1724 CG LYS A 109 -15.433 -0.940 12.355 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.112 -1.540 12.799 1.00 0.00 C ATOM 1726 CE LYS A 109 -13.393 -0.617 13.768 1.00 0.00 C ATOM 1727 NZ LYS A 109 -12.590 -1.372 14.763 1.00 0.00 N ATOM 0 H LYS A 109 -15.620 -1.121 9.775 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.117 -3.512 11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.366 -1.533 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -16.653 -2.631 12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.263 -0.269 11.513 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.849 -0.338 13.163 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.288 -2.505 13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.481 -1.723 11.929 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -12.741 0.056 13.211 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.123 0.004 14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -12.116 -0.705 15.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.215 -1.996 15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -11.876 -1.945 14.270 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.093 -3.291 9.744 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.239 -4.050 9.259 1.00 0.00 C ATOM 1743 C ARG A 110 -18.810 -4.970 8.124 1.00 0.00 C ATOM 1744 O ARG A 110 -19.397 -6.011 7.895 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.316 -3.080 8.763 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.584 -3.754 8.271 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.296 -4.495 9.387 1.00 0.00 C ATOM 1748 NE ARG A 110 -23.190 -5.525 8.854 1.00 0.00 N ATOM 1749 CZ ARG A 110 -23.491 -6.660 9.485 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -23.075 -6.871 10.725 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -24.250 -7.569 8.881 1.00 0.00 N ATOM 0 H ARG A 110 -18.135 -2.294 9.534 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.641 -4.656 10.071 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -20.572 -2.396 9.572 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.902 -2.477 7.955 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -22.253 -3.005 7.847 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.338 -4.452 7.470 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -21.561 -4.954 10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.869 -3.789 9.988 1.00 0.00 H new ATOM 0 HE ARG A 110 -23.610 -5.363 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -22.520 -6.162 11.204 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -23.310 -7.742 11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -24.600 -7.397 7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -24.483 -8.439 9.360 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.761 -4.562 7.448 1.00 0.00 N ATOM 1766 CA LEU A 111 -17.196 -5.262 6.316 1.00 0.00 C ATOM 1767 C LEU A 111 -16.474 -6.514 6.729 1.00 0.00 C ATOM 1768 O LEU A 111 -16.609 -7.542 6.087 1.00 0.00 O ATOM 1769 CB LEU A 111 -16.259 -4.318 5.577 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.928 -3.546 4.467 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -16.063 -2.386 4.011 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -17.272 -4.429 3.297 1.00 0.00 C ATOM 0 H LEU A 111 -17.260 -3.704 7.679 1.00 0.00 H new ATOM 0 HA LEU A 111 -18.007 -5.574 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.830 -3.614 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.432 -4.893 5.160 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.859 -3.150 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.570 -1.847 3.210 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.888 -1.711 4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -15.109 -2.765 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.752 -3.833 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -16.362 -4.878 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.952 -5.216 3.623 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.715 -6.440 7.800 1.00 0.00 N ATOM 1785 CA ALA A 112 -15.003 -7.604 8.268 1.00 0.00 C ATOM 1786 C ALA A 112 -15.988 -8.566 8.902 1.00 0.00 C ATOM 1787 O ALA A 112 -15.654 -9.700 9.231 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.893 -7.211 9.227 1.00 0.00 C ATOM 0 H ALA A 112 -15.577 -5.596 8.356 1.00 0.00 H new ATOM 0 HA ALA A 112 -14.524 -8.104 7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -13.371 -8.106 9.566 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -13.190 -6.551 8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.320 -6.693 10.086 1.00 0.00 H new ATOM 1794 N ASN A 113 -17.203 -8.075 9.089 1.00 0.00 N ATOM 1795 CA ASN A 113 -18.279 -8.864 9.639 1.00 0.00 C ATOM 1796 C ASN A 113 -19.151 -9.392 8.498 1.00 0.00 C ATOM 1797 O ASN A 113 -19.556 -10.548 8.502 1.00 0.00 O ATOM 1798 CB ASN A 113 -19.115 -8.013 10.597 1.00 0.00 C ATOM 1799 CG ASN A 113 -18.636 -8.090 12.033 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -19.074 -8.946 12.803 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.748 -7.182 12.411 1.00 0.00 N ATOM 0 H ASN A 113 -17.465 -7.116 8.861 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.867 -9.706 10.195 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -19.090 -6.974 10.267 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -20.154 -8.338 10.549 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.402 -7.175 13.371 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.410 -6.490 11.742 1.00 0.00 H new ATOM 1808 N GLU A 114 -19.389 -8.536 7.501 1.00 0.00 N ATOM 1809 CA GLU A 114 -20.214 -8.878 6.343 1.00 0.00 C ATOM 1810 C GLU A 114 -19.449 -9.713 5.335 1.00 0.00 C ATOM 1811 O GLU A 114 -19.991 -10.680 4.793 1.00 0.00 O ATOM 1812 CB GLU A 114 -20.760 -7.618 5.661 1.00 0.00 C ATOM 1813 CG GLU A 114 -22.112 -7.188 6.193 1.00 0.00 C ATOM 1814 CD GLU A 114 -22.634 -5.924 5.541 1.00 0.00 C ATOM 1815 OE1 GLU A 114 -23.591 -5.332 6.081 1.00 0.00 O ATOM 1816 OE2 GLU A 114 -22.091 -5.514 4.493 1.00 0.00 O ATOM 0 H GLU A 114 -19.015 -7.587 7.475 1.00 0.00 H new ATOM 0 HA GLU A 114 -21.050 -9.470 6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -20.048 -6.803 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -20.840 -7.799 4.589 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -22.830 -7.993 6.037 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -22.039 -7.031 7.269 1.00 0.00 H new ATOM 1823 N ALA A 115 -18.190 -9.368 5.077 1.00 0.00 N ATOM 1824 CA ALA A 115 -17.402 -10.145 4.128 1.00 0.00 C ATOM 1825 C ALA A 115 -17.007 -11.467 4.770 1.00 0.00 C ATOM 1826 O ALA A 115 -16.410 -12.338 4.136 1.00 0.00 O ATOM 1827 CB ALA A 115 -16.172 -9.374 3.678 1.00 0.00 C ATOM 0 H ALA A 115 -17.705 -8.577 5.500 1.00 0.00 H new ATOM 0 HA ALA A 115 -18.005 -10.341 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.603 -9.977 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -16.480 -8.446 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.549 -9.145 4.543 1.00 0.00 H new ATOM 1833 N LYS A 116 -17.379 -11.603 6.034 1.00 0.00 N ATOM 1834 CA LYS A 116 -17.076 -12.783 6.815 1.00 0.00 C ATOM 1835 C LYS A 116 -18.272 -13.730 6.868 1.00 0.00 C ATOM 1836 O LYS A 116 -18.100 -14.950 6.950 1.00 0.00 O ATOM 1837 CB LYS A 116 -16.637 -12.338 8.214 1.00 0.00 C ATOM 1838 CG LYS A 116 -17.538 -12.783 9.359 1.00 0.00 C ATOM 1839 CD LYS A 116 -16.730 -13.355 10.510 1.00 0.00 C ATOM 1840 CE LYS A 116 -15.971 -14.605 10.092 1.00 0.00 C ATOM 1841 NZ LYS A 116 -15.123 -15.132 11.189 1.00 0.00 N ATOM 0 H LYS A 116 -17.902 -10.892 6.545 1.00 0.00 H new ATOM 0 HA LYS A 116 -16.265 -13.340 6.346 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.632 -12.718 8.398 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.574 -11.250 8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.126 -11.936 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -18.243 -13.533 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.026 -12.604 10.870 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.395 -13.593 11.340 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.680 -15.372 9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.347 -14.378 9.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -14.623 -15.984 10.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -14.430 -14.409 11.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -15.721 -15.373 12.005 1.00 0.00 H new ATOM 1855 N GLU A 117 -19.479 -13.178 6.801 1.00 0.00 N ATOM 1856 CA GLU A 117 -20.683 -13.995 6.852 1.00 0.00 C ATOM 1857 C GLU A 117 -21.016 -14.561 5.479 1.00 0.00 C ATOM 1858 O GLU A 117 -20.987 -15.778 5.281 1.00 0.00 O ATOM 1859 CB GLU A 117 -21.879 -13.215 7.418 1.00 0.00 C ATOM 1860 CG GLU A 117 -21.894 -11.729 7.087 1.00 0.00 C ATOM 1861 CD GLU A 117 -23.032 -11.001 7.770 1.00 0.00 C ATOM 1862 OE1 GLU A 117 -22.784 -10.324 8.788 1.00 0.00 O ATOM 1863 OE2 GLU A 117 -24.186 -11.128 7.313 1.00 0.00 O ATOM 0 H GLU A 117 -19.648 -12.176 6.712 1.00 0.00 H new ATOM 0 HA GLU A 117 -20.480 -14.825 7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -22.798 -13.665 7.041 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -21.888 -13.330 8.502 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -20.947 -11.282 7.388 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -21.978 -11.600 6.008 1.00 0.00 H new ATOM 1870 N ALA A 118 -21.311 -13.678 4.533 1.00 0.00 N ATOM 1871 CA ALA A 118 -21.656 -14.088 3.175 1.00 0.00 C ATOM 1872 C ALA A 118 -21.772 -12.887 2.253 1.00 0.00 C ATOM 1873 O ALA A 118 -22.591 -11.995 2.479 1.00 0.00 O ATOM 1874 CB ALA A 118 -22.959 -14.875 3.160 1.00 0.00 C ATOM 0 H ALA A 118 -21.318 -12.669 4.681 1.00 0.00 H new ATOM 0 HA ALA A 118 -20.852 -14.729 2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -23.195 -15.169 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -22.853 -15.766 3.779 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -23.764 -14.254 3.553 1.00 0.00 H new ATOM 1880 N LYS A 119 -20.950 -12.861 1.216 1.00 0.00 N ATOM 1881 CA LYS A 119 -20.984 -11.773 0.256 1.00 0.00 C ATOM 1882 C LYS A 119 -22.042 -12.036 -0.808 1.00 0.00 C ATOM 1883 O LYS A 119 -21.737 -12.481 -1.918 1.00 0.00 O ATOM 1884 CB LYS A 119 -19.619 -11.556 -0.401 1.00 0.00 C ATOM 1885 CG LYS A 119 -19.088 -10.134 -0.250 1.00 0.00 C ATOM 1886 CD LYS A 119 -20.209 -9.098 -0.271 1.00 0.00 C ATOM 1887 CE LYS A 119 -20.715 -8.825 -1.683 1.00 0.00 C ATOM 1888 NZ LYS A 119 -22.021 -8.113 -1.677 1.00 0.00 N ATOM 0 H LYS A 119 -20.253 -13.580 1.019 1.00 0.00 H new ATOM 0 HA LYS A 119 -21.241 -10.864 0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -18.901 -12.251 0.034 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -19.693 -11.797 -1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -18.536 -10.051 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -18.384 -9.923 -1.055 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -21.035 -9.447 0.348 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -19.850 -8.168 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -19.979 -8.229 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -20.818 -9.768 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -22.789 -8.794 -1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -22.161 -7.653 -0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -22.028 -7.393 -2.428 1.00 0.00 H new ATOM 1902 N LYS A 120 -23.288 -11.781 -0.445 1.00 0.00 N ATOM 1903 CA LYS A 120 -24.406 -11.961 -1.351 1.00 0.00 C ATOM 1904 C LYS A 120 -24.375 -10.900 -2.438 1.00 0.00 C ATOM 1905 O LYS A 120 -24.064 -9.736 -2.113 1.00 0.00 O ATOM 1906 CB LYS A 120 -25.731 -11.900 -0.588 1.00 0.00 C ATOM 1907 CG LYS A 120 -26.089 -13.206 0.104 1.00 0.00 C ATOM 1908 CD LYS A 120 -26.386 -14.299 -0.910 1.00 0.00 C ATOM 1909 CE LYS A 120 -26.567 -15.656 -0.248 1.00 0.00 C ATOM 1910 NZ LYS A 120 -26.888 -16.718 -1.237 1.00 0.00 N ATOM 1911 OXT LYS A 120 -24.643 -11.240 -3.609 1.00 0.00 O ATOM 0 H LYS A 120 -23.550 -11.445 0.482 1.00 0.00 H new ATOM 0 HA LYS A 120 -24.321 -12.943 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -25.677 -11.106 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -26.529 -11.634 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -25.267 -13.517 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -26.957 -13.055 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -27.289 -14.043 -1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -25.572 -14.354 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -25.656 -15.923 0.288 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -27.366 -15.595 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -27.003 -17.627 -0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -27.771 -16.477 -1.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -26.114 -16.794 -1.928 1.00 0.00 H new TER 1925 LYS A 120