USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 666 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 72 HIS : no HD1:sc= 1.1 K(o=1.1,f=-4.7!) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 88 GLN : amide:sc= 0.689 K(o=1.6,f=0.41) USER MOD Set 2.2: A 89 SER OG : rot -76:sc= 0.952 USER MOD Set 3.1: A 73 MET CE :methyl 156:sc= 0 (180deg=-0.542) USER MOD Set 3.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 66 TYR OH : rot 30:sc= 0 USER MOD Set 5.1: A 59 TYR OH : rot 58:sc= 0.00162 USER MOD Set 5.2: A 63 LYS NZ :NH3+ 146:sc= 0.0705 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.412 X(o=-0.41,f=-0.46) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.327 K(o=0.33,f=-2.1!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl -173:sc= 0 (180deg=-0.0593) USER MOD Single : A 48 THR OG1 : rot -81:sc= 0.788 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -168:sc= -0.115 (180deg=-0.356) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0.026 USER MOD Single : A 58 GLN : amide:sc= 1.08 K(o=1.1,f=-0.46) USER MOD Single : A 64 GLN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : A 68 GLN : amide:sc= -0.962! C(o=-0.96!,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 0.895 K(o=0.89,f=0) USER MOD Single : A 71 GLN : amide:sc= 1.28 K(o=1.3,f=-0.01) USER MOD Single : A 76 CYS SG : rot 180:sc= -0.0822 USER MOD Single : A 91 SER OG : rot 180:sc= 0.247 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -118:sc= -0.285 (180deg=-0.682) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.63 X(o=-1.6,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 51 N GLN A 26 9.084 8.672 8.281 1.00 0.00 N ATOM 52 CA GLN A 26 9.535 8.147 6.983 1.00 0.00 C ATOM 53 C GLN A 26 11.010 8.514 6.691 1.00 0.00 C ATOM 54 O GLN A 26 11.690 9.099 7.533 1.00 0.00 O ATOM 55 CB GLN A 26 8.547 8.486 5.857 1.00 0.00 C ATOM 56 CG GLN A 26 8.379 7.261 4.935 1.00 0.00 C ATOM 57 CD GLN A 26 7.648 6.093 5.613 1.00 0.00 C ATOM 58 OE1 GLN A 26 6.485 6.170 5.983 1.00 0.00 O ATOM 59 NE2 GLN A 26 8.305 4.969 5.821 1.00 0.00 N ATOM 0 HA GLN A 26 9.531 7.058 7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.583 8.773 6.278 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.911 9.339 5.284 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.828 7.558 4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 26 9.362 6.924 4.605 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.276 4.883 5.521 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.842 4.186 6.282 1.00 0.00 H new ATOM 68 N VAL A 27 11.530 8.113 5.528 1.00 0.00 N ATOM 69 CA VAL A 27 12.962 8.149 5.164 1.00 0.00 C ATOM 70 C VAL A 27 13.336 9.283 4.211 1.00 0.00 C ATOM 71 O VAL A 27 12.473 9.853 3.543 1.00 0.00 O ATOM 72 CB VAL A 27 13.369 6.800 4.521 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.229 5.635 5.507 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.582 6.473 3.247 1.00 0.00 C ATOM 0 H VAL A 27 10.947 7.738 4.779 1.00 0.00 H new ATOM 0 HA VAL A 27 13.503 8.328 6.093 1.00 0.00 H new ATOM 0 HB VAL A 27 14.417 6.924 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.524 4.707 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 27 13.871 5.810 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.192 5.559 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.917 5.515 2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.519 6.417 3.480 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.750 7.254 2.505 1.00 0.00 H new ATOM 84 N ARG A 28 14.641 9.581 4.121 1.00 0.00 N ATOM 85 CA ARG A 28 15.206 10.482 3.117 1.00 0.00 C ATOM 86 C ARG A 28 15.803 9.732 1.912 1.00 0.00 C ATOM 87 O ARG A 28 16.454 8.702 2.108 1.00 0.00 O ATOM 88 CB ARG A 28 16.166 11.480 3.785 1.00 0.00 C ATOM 89 CG ARG A 28 17.552 10.968 4.202 1.00 0.00 C ATOM 90 CD ARG A 28 18.362 12.147 4.761 1.00 0.00 C ATOM 91 NE ARG A 28 19.719 11.742 5.171 1.00 0.00 N ATOM 92 CZ ARG A 28 20.704 12.555 5.516 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.574 13.852 5.527 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.862 12.070 5.865 1.00 0.00 N ATOM 0 H ARG A 28 15.340 9.195 4.755 1.00 0.00 H new ATOM 0 HA ARG A 28 14.398 11.068 2.680 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.309 12.316 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.674 11.876 4.673 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.456 10.185 4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.066 10.528 3.347 1.00 0.00 H new ATOM 0 HD2 ARG A 28 18.430 12.930 4.006 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.838 12.574 5.616 1.00 0.00 H new ATOM 0 HE ARG A 28 19.917 10.742 5.190 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.686 14.278 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.361 14.441 5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 28 22.011 11.061 5.873 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.619 12.699 6.130 1.00 0.00 H new ATOM 108 N PRO A 29 15.605 10.226 0.674 1.00 0.00 N ATOM 109 CA PRO A 29 16.255 9.698 -0.526 1.00 0.00 C ATOM 110 C PRO A 29 17.738 10.116 -0.590 1.00 0.00 C ATOM 111 O PRO A 29 18.190 10.974 0.174 1.00 0.00 O ATOM 112 CB PRO A 29 15.423 10.273 -1.677 1.00 0.00 C ATOM 113 CG PRO A 29 14.975 11.639 -1.155 1.00 0.00 C ATOM 114 CD PRO A 29 14.770 11.373 0.333 1.00 0.00 C ATOM 0 HA PRO A 29 16.283 8.609 -0.556 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.013 10.367 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.571 9.635 -1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.728 12.407 -1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.058 11.977 -1.637 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.050 12.245 0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.722 11.166 0.548 1.00 0.00 H new ATOM 122 N LYS A 30 18.501 9.532 -1.529 1.00 0.00 N ATOM 123 CA LYS A 30 19.910 9.908 -1.773 1.00 0.00 C ATOM 124 C LYS A 30 20.021 11.357 -2.275 1.00 0.00 C ATOM 125 O LYS A 30 19.084 11.884 -2.873 1.00 0.00 O ATOM 126 CB LYS A 30 20.578 8.886 -2.723 1.00 0.00 C ATOM 127 CG LYS A 30 22.102 8.824 -2.510 1.00 0.00 C ATOM 128 CD LYS A 30 22.831 7.973 -3.557 1.00 0.00 C ATOM 129 CE LYS A 30 24.341 7.984 -3.260 1.00 0.00 C ATOM 130 NZ LYS A 30 25.114 7.166 -4.236 1.00 0.00 N ATOM 0 H LYS A 30 18.163 8.788 -2.140 1.00 0.00 H new ATOM 0 HA LYS A 30 20.456 9.875 -0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 30 20.147 7.899 -2.557 1.00 0.00 H new ATOM 0 HB3 LYS A 30 20.366 9.157 -3.757 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.505 9.836 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.306 8.420 -1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 30 22.453 6.951 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.642 8.365 -4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 30 24.706 9.011 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 30 24.514 7.604 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 26.125 7.203 -3.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 24.786 6.180 -4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 24.972 7.543 -5.195 1.00 0.00 H new ATOM 144 N LEU A 31 21.180 11.987 -2.077 1.00 0.00 N ATOM 145 CA LEU A 31 21.424 13.411 -2.367 1.00 0.00 C ATOM 146 C LEU A 31 21.009 13.873 -3.784 1.00 0.00 C ATOM 147 O LEU A 31 20.391 14.933 -3.864 1.00 0.00 O ATOM 148 CB LEU A 31 22.897 13.759 -2.056 1.00 0.00 C ATOM 149 CG LEU A 31 23.305 13.665 -0.571 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.796 13.976 -0.433 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.533 14.640 0.322 1.00 0.00 C ATOM 0 H LEU A 31 22.001 11.513 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 31 20.763 13.974 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.539 13.093 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.094 14.773 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 31 23.073 12.651 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 31 25.086 13.910 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.373 13.257 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.993 14.983 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.863 14.527 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.719 15.662 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.466 14.426 0.257 1.00 0.00 H new ATOM 163 N PRO A 32 21.233 13.118 -4.884 1.00 0.00 N ATOM 164 CA PRO A 32 20.755 13.516 -6.216 1.00 0.00 C ATOM 165 C PRO A 32 19.225 13.600 -6.329 1.00 0.00 C ATOM 166 O PRO A 32 18.705 14.554 -6.902 1.00 0.00 O ATOM 167 CB PRO A 32 21.333 12.489 -7.197 1.00 0.00 C ATOM 168 CG PRO A 32 22.569 11.962 -6.474 1.00 0.00 C ATOM 169 CD PRO A 32 22.145 11.986 -5.009 1.00 0.00 C ATOM 0 HA PRO A 32 21.091 14.529 -6.436 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.621 11.691 -7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.591 12.947 -8.152 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.830 10.956 -6.802 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.440 12.592 -6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.654 11.054 -4.727 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.008 12.103 -4.353 1.00 0.00 H new ATOM 177 N LEU A 33 18.491 12.644 -5.737 1.00 0.00 N ATOM 178 CA LEU A 33 17.018 12.687 -5.667 1.00 0.00 C ATOM 179 C LEU A 33 16.539 13.833 -4.776 1.00 0.00 C ATOM 180 O LEU A 33 15.661 14.597 -5.168 1.00 0.00 O ATOM 181 CB LEU A 33 16.471 11.351 -5.125 1.00 0.00 C ATOM 182 CG LEU A 33 16.253 10.224 -6.143 1.00 0.00 C ATOM 183 CD1 LEU A 33 15.792 8.977 -5.387 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.149 10.573 -7.144 1.00 0.00 C ATOM 0 H LEU A 33 18.899 11.821 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 33 16.642 12.853 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.158 10.989 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.520 11.550 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 33 17.189 10.067 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.631 8.162 -6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.555 8.686 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.861 9.193 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 33 15.024 9.751 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.213 10.739 -6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.423 11.478 -7.687 1.00 0.00 H new ATOM 196 N LEU A 34 17.152 13.993 -3.600 1.00 0.00 N ATOM 197 CA LEU A 34 16.843 15.085 -2.673 1.00 0.00 C ATOM 198 C LEU A 34 17.035 16.449 -3.360 1.00 0.00 C ATOM 199 O LEU A 34 16.191 17.326 -3.199 1.00 0.00 O ATOM 200 CB LEU A 34 17.711 14.879 -1.411 1.00 0.00 C ATOM 201 CG LEU A 34 17.416 15.736 -0.163 1.00 0.00 C ATOM 202 CD1 LEU A 34 17.993 17.146 -0.258 1.00 0.00 C ATOM 203 CD2 LEU A 34 15.924 15.812 0.167 1.00 0.00 C ATOM 0 H LEU A 34 17.881 13.365 -3.262 1.00 0.00 H new ATOM 0 HA LEU A 34 15.797 15.076 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.629 13.832 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.750 15.051 -1.692 1.00 0.00 H new ATOM 0 HG LEU A 34 17.920 15.217 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.752 17.700 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.076 17.089 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.564 17.657 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.779 16.428 1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.388 16.253 -0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.541 14.809 0.355 1.00 0.00 H new ATOM 215 N LYS A 35 18.049 16.594 -4.228 1.00 0.00 N ATOM 216 CA LYS A 35 18.266 17.775 -5.073 1.00 0.00 C ATOM 217 C LYS A 35 17.069 18.134 -5.949 1.00 0.00 C ATOM 218 O LYS A 35 16.736 19.308 -6.026 1.00 0.00 O ATOM 219 CB LYS A 35 19.523 17.571 -5.949 1.00 0.00 C ATOM 220 CG LYS A 35 20.354 18.855 -6.041 1.00 0.00 C ATOM 221 CD LYS A 35 21.109 19.154 -4.732 1.00 0.00 C ATOM 222 CE LYS A 35 22.321 18.228 -4.535 1.00 0.00 C ATOM 223 NZ LYS A 35 23.162 18.668 -3.386 1.00 0.00 N ATOM 0 H LYS A 35 18.758 15.873 -4.364 1.00 0.00 H new ATOM 0 HA LYS A 35 18.409 18.616 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.133 16.770 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.224 17.256 -6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.069 18.765 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.700 19.693 -6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.444 20.191 -4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 35 20.428 19.042 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.977 17.208 -4.366 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.922 18.215 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.971 18.023 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.509 19.633 -3.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 22.594 18.656 -2.515 1.00 0.00 H new ATOM 237 N ILE A 36 16.382 17.161 -6.554 1.00 0.00 N ATOM 238 CA ILE A 36 15.166 17.412 -7.353 1.00 0.00 C ATOM 239 C ILE A 36 14.050 17.978 -6.460 1.00 0.00 C ATOM 240 O ILE A 36 13.445 19.003 -6.762 1.00 0.00 O ATOM 241 CB ILE A 36 14.672 16.123 -8.032 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.774 15.438 -8.852 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.443 16.430 -8.897 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.534 16.326 -9.835 1.00 0.00 C ATOM 0 H ILE A 36 16.647 16.177 -6.508 1.00 0.00 H new ATOM 0 HA ILE A 36 15.420 18.138 -8.125 1.00 0.00 H new ATOM 0 HB ILE A 36 14.389 15.418 -7.250 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.493 14.999 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.325 14.616 -9.409 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.097 15.514 -9.376 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.648 16.834 -8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.709 17.160 -9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.286 15.732 -10.355 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.837 16.746 -10.560 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.023 17.135 -9.292 1.00 0.00 H new ATOM 256 N LEU A 37 13.802 17.315 -5.327 1.00 0.00 N ATOM 257 CA LEU A 37 12.744 17.645 -4.373 1.00 0.00 C ATOM 258 C LEU A 37 12.975 19.041 -3.771 1.00 0.00 C ATOM 259 O LEU A 37 12.049 19.837 -3.652 1.00 0.00 O ATOM 260 CB LEU A 37 12.727 16.529 -3.302 1.00 0.00 C ATOM 261 CG LEU A 37 12.126 15.168 -3.708 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.180 14.736 -5.175 1.00 0.00 C ATOM 263 CD2 LEU A 37 12.741 14.051 -2.870 1.00 0.00 C ATOM 0 H LEU A 37 14.353 16.506 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 37 11.770 17.689 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.753 16.360 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.173 16.898 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 37 11.066 15.337 -3.521 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.714 13.757 -5.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.646 15.462 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.219 14.681 -5.500 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.309 13.095 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.819 14.027 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A 37 12.535 14.232 -1.815 1.00 0.00 H new ATOM 275 N HIS A 38 14.228 19.378 -3.466 1.00 0.00 N ATOM 276 CA HIS A 38 14.636 20.688 -2.945 1.00 0.00 C ATOM 277 C HIS A 38 14.672 21.772 -4.027 1.00 0.00 C ATOM 278 O HIS A 38 14.211 22.881 -3.762 1.00 0.00 O ATOM 279 CB HIS A 38 15.962 20.525 -2.191 1.00 0.00 C ATOM 280 CG HIS A 38 15.766 20.063 -0.760 1.00 0.00 C ATOM 281 ND1 HIS A 38 16.567 20.416 0.332 1.00 0.00 N ATOM 282 CD2 HIS A 38 14.725 19.303 -0.305 1.00 0.00 C ATOM 283 CE1 HIS A 38 15.995 19.849 1.411 1.00 0.00 C ATOM 284 NE2 HIS A 38 14.886 19.176 1.058 1.00 0.00 N ATOM 0 H HIS A 38 15.010 18.732 -3.576 1.00 0.00 H new ATOM 0 HA HIS A 38 13.884 21.047 -2.242 1.00 0.00 H new ATOM 0 HB2 HIS A 38 16.590 19.806 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.496 21.475 -2.192 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.928 18.882 -0.900 1.00 0.00 H new ATOM 0 HE1 HIS A 38 16.374 19.924 2.419 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.271 18.661 1.689 1.00 0.00 H new ATOM 292 N ALA A 39 15.064 21.445 -5.264 1.00 0.00 N ATOM 293 CA ALA A 39 14.938 22.325 -6.432 1.00 0.00 C ATOM 294 C ALA A 39 13.472 22.723 -6.681 1.00 0.00 C ATOM 295 O ALA A 39 13.199 23.814 -7.186 1.00 0.00 O ATOM 296 CB ALA A 39 15.549 21.626 -7.656 1.00 0.00 C ATOM 0 H ALA A 39 15.486 20.543 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 39 15.483 23.250 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.459 22.274 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.602 21.416 -7.467 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.020 20.691 -7.843 1.00 0.00 H new ATOM 302 N ALA A 40 12.534 21.867 -6.261 1.00 0.00 N ATOM 303 CA ALA A 40 11.112 22.167 -6.237 1.00 0.00 C ATOM 304 C ALA A 40 10.631 22.908 -4.970 1.00 0.00 C ATOM 305 O ALA A 40 9.576 23.542 -5.024 1.00 0.00 O ATOM 306 CB ALA A 40 10.348 20.855 -6.422 1.00 0.00 C ATOM 0 H ALA A 40 12.754 20.930 -5.923 1.00 0.00 H new ATOM 0 HA ALA A 40 10.912 22.864 -7.051 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.276 21.053 -6.408 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.621 20.406 -7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.601 20.169 -5.613 1.00 0.00 H new ATOM 312 N GLY A 41 11.348 22.818 -3.839 1.00 0.00 N ATOM 313 CA GLY A 41 10.914 23.323 -2.528 1.00 0.00 C ATOM 314 C GLY A 41 10.099 22.296 -1.727 1.00 0.00 C ATOM 315 O GLY A 41 8.873 22.400 -1.637 1.00 0.00 O ATOM 0 H GLY A 41 12.269 22.381 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.790 23.614 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.314 24.222 -2.672 1.00 0.00 H new ATOM 319 N ALA A 42 10.780 21.302 -1.145 1.00 0.00 N ATOM 320 CA ALA A 42 10.182 20.267 -0.294 1.00 0.00 C ATOM 321 C ALA A 42 9.947 20.731 1.158 1.00 0.00 C ATOM 322 O ALA A 42 10.536 21.713 1.619 1.00 0.00 O ATOM 323 CB ALA A 42 11.040 19.001 -0.359 1.00 0.00 C ATOM 0 H ALA A 42 11.788 21.193 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 42 9.187 20.049 -0.683 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.599 18.230 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.086 18.645 -1.388 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.047 19.225 -0.007 1.00 0.00 H new ATOM 329 N GLN A 43 9.110 19.991 1.896 1.00 0.00 N ATOM 330 CA GLN A 43 8.690 20.314 3.272 1.00 0.00 C ATOM 331 C GLN A 43 9.521 19.579 4.352 1.00 0.00 C ATOM 332 O GLN A 43 9.039 19.293 5.451 1.00 0.00 O ATOM 333 CB GLN A 43 7.163 20.113 3.378 1.00 0.00 C ATOM 334 CG GLN A 43 6.505 20.970 4.472 1.00 0.00 C ATOM 335 CD GLN A 43 4.987 20.787 4.497 1.00 0.00 C ATOM 336 OE1 GLN A 43 4.434 20.028 5.285 1.00 0.00 O ATOM 337 NE2 GLN A 43 4.249 21.462 3.638 1.00 0.00 N ATOM 0 H GLN A 43 8.693 19.128 1.547 1.00 0.00 H new ATOM 0 HA GLN A 43 8.903 21.362 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.706 20.351 2.417 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.956 19.062 3.578 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.920 20.701 5.443 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.742 22.020 4.303 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.692 22.098 2.975 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.235 21.348 3.637 1.00 0.00 H new ATOM 346 N GLY A 44 10.776 19.244 4.031 1.00 0.00 N ATOM 347 CA GLY A 44 11.700 18.497 4.896 1.00 0.00 C ATOM 348 C GLY A 44 12.699 17.631 4.124 1.00 0.00 C ATOM 349 O GLY A 44 13.010 17.893 2.959 1.00 0.00 O ATOM 0 H GLY A 44 11.191 19.493 3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.249 19.202 5.520 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.122 17.860 5.566 1.00 0.00 H new ATOM 353 N GLU A 45 13.184 16.579 4.788 1.00 0.00 N ATOM 354 CA GLU A 45 13.984 15.495 4.190 1.00 0.00 C ATOM 355 C GLU A 45 13.301 14.117 4.287 1.00 0.00 C ATOM 356 O GLU A 45 13.677 13.209 3.555 1.00 0.00 O ATOM 357 CB GLU A 45 15.363 15.424 4.869 1.00 0.00 C ATOM 358 CG GLU A 45 16.281 16.602 4.526 1.00 0.00 C ATOM 359 CD GLU A 45 17.645 16.451 5.231 1.00 0.00 C ATOM 360 OE1 GLU A 45 18.396 15.491 4.924 1.00 0.00 O ATOM 361 OE2 GLU A 45 17.980 17.292 6.102 1.00 0.00 O ATOM 0 H GLU A 45 13.029 16.449 5.788 1.00 0.00 H new ATOM 0 HA GLU A 45 14.088 15.733 3.132 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.224 15.386 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.854 14.496 4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.427 16.654 3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.810 17.537 4.829 1.00 0.00 H new ATOM 368 N MET A 46 12.321 13.934 5.180 1.00 0.00 N ATOM 369 CA MET A 46 11.666 12.642 5.452 1.00 0.00 C ATOM 370 C MET A 46 10.308 12.556 4.743 1.00 0.00 C ATOM 371 O MET A 46 9.400 13.313 5.089 1.00 0.00 O ATOM 372 CB MET A 46 11.473 12.477 6.969 1.00 0.00 C ATOM 373 CG MET A 46 12.804 12.276 7.702 1.00 0.00 C ATOM 374 SD MET A 46 12.667 12.015 9.496 1.00 0.00 S ATOM 375 CE MET A 46 12.077 13.644 10.042 1.00 0.00 C ATOM 0 H MET A 46 11.950 14.696 5.748 1.00 0.00 H new ATOM 0 HA MET A 46 12.301 11.842 5.071 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.970 13.358 7.368 1.00 0.00 H new ATOM 0 HB3 MET A 46 10.822 11.624 7.160 1.00 0.00 H new ATOM 0 HG2 MET A 46 13.316 11.419 7.264 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.434 13.148 7.525 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.064 13.680 11.131 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.743 14.418 9.661 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.070 13.812 9.661 1.00 0.00 H new ATOM 385 N PHE A 47 10.144 11.636 3.784 1.00 0.00 N ATOM 386 CA PHE A 47 8.868 11.433 3.070 1.00 0.00 C ATOM 387 C PHE A 47 8.679 10.009 2.505 1.00 0.00 C ATOM 388 O PHE A 47 9.632 9.257 2.305 1.00 0.00 O ATOM 389 CB PHE A 47 8.686 12.480 1.949 1.00 0.00 C ATOM 390 CG PHE A 47 9.824 13.455 1.723 1.00 0.00 C ATOM 391 CD1 PHE A 47 11.070 12.974 1.290 1.00 0.00 C ATOM 392 CD2 PHE A 47 9.650 14.830 1.965 1.00 0.00 C ATOM 393 CE1 PHE A 47 12.118 13.870 1.051 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.691 15.734 1.688 1.00 0.00 C ATOM 395 CZ PHE A 47 11.925 15.253 1.215 1.00 0.00 C ATOM 0 H PHE A 47 10.889 11.010 3.478 1.00 0.00 H new ATOM 0 HA PHE A 47 8.093 11.566 3.825 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.506 11.948 1.015 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.786 13.055 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.219 11.915 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.714 15.192 2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.082 13.497 0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.543 16.793 1.838 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.721 15.943 0.979 1.00 0.00 H new ATOM 405 N THR A 48 7.423 9.649 2.229 1.00 0.00 N ATOM 406 CA THR A 48 7.003 8.414 1.526 1.00 0.00 C ATOM 407 C THR A 48 7.151 8.518 0.005 1.00 0.00 C ATOM 408 O THR A 48 7.275 9.614 -0.530 1.00 0.00 O ATOM 409 CB THR A 48 5.539 8.069 1.857 1.00 0.00 C ATOM 410 OG1 THR A 48 4.705 9.176 1.655 1.00 0.00 O ATOM 411 CG2 THR A 48 5.323 7.583 3.279 1.00 0.00 C ATOM 0 H THR A 48 6.629 10.230 2.498 1.00 0.00 H new ATOM 0 HA THR A 48 7.667 7.625 1.880 1.00 0.00 H new ATOM 0 HB THR A 48 5.289 7.253 1.179 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.760 9.773 2.430 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.267 7.362 3.431 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.911 6.681 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.636 8.357 3.980 1.00 0.00 H new ATOM 419 N VAL A 49 7.053 7.388 -0.714 1.00 0.00 N ATOM 420 CA VAL A 49 7.102 7.263 -2.189 1.00 0.00 C ATOM 421 C VAL A 49 6.140 8.242 -2.867 1.00 0.00 C ATOM 422 O VAL A 49 6.496 8.949 -3.815 1.00 0.00 O ATOM 423 CB VAL A 49 6.848 5.803 -2.619 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.416 5.294 -2.429 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.272 5.565 -4.070 1.00 0.00 C ATOM 0 H VAL A 49 6.930 6.483 -0.260 1.00 0.00 H new ATOM 0 HA VAL A 49 8.104 7.533 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 49 7.468 5.227 -1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.351 4.259 -2.763 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.146 5.353 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.731 5.908 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.079 4.527 -4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.703 6.222 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.336 5.776 -4.177 1.00 0.00 H new ATOM 435 N LYS A 50 4.940 8.347 -2.288 1.00 0.00 N ATOM 436 CA LYS A 50 3.846 9.167 -2.792 1.00 0.00 C ATOM 437 C LYS A 50 4.091 10.670 -2.588 1.00 0.00 C ATOM 438 O LYS A 50 3.673 11.482 -3.407 1.00 0.00 O ATOM 439 CB LYS A 50 2.554 8.620 -2.167 1.00 0.00 C ATOM 440 CG LYS A 50 2.273 9.145 -0.755 1.00 0.00 C ATOM 441 CD LYS A 50 1.147 8.388 -0.043 1.00 0.00 C ATOM 442 CE LYS A 50 1.081 8.857 1.417 1.00 0.00 C ATOM 443 NZ LYS A 50 0.022 8.141 2.179 1.00 0.00 N ATOM 0 H LYS A 50 4.701 7.848 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 50 3.761 9.094 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.714 8.876 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.611 7.532 -2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.183 9.073 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.012 10.202 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.195 8.571 -0.542 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.328 7.314 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.047 8.694 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.888 9.929 1.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.008 8.485 3.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.903 8.317 1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.220 7.120 2.173 1.00 0.00 H new ATOM 457 N GLU A 51 4.823 11.032 -1.532 1.00 0.00 N ATOM 458 CA GLU A 51 5.270 12.401 -1.251 1.00 0.00 C ATOM 459 C GLU A 51 6.512 12.774 -2.076 1.00 0.00 C ATOM 460 O GLU A 51 6.524 13.837 -2.694 1.00 0.00 O ATOM 461 CB GLU A 51 5.555 12.552 0.249 1.00 0.00 C ATOM 462 CG GLU A 51 4.296 12.445 1.117 1.00 0.00 C ATOM 463 CD GLU A 51 4.665 12.383 2.612 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.298 11.382 3.033 1.00 0.00 O ATOM 465 OE2 GLU A 51 4.307 13.322 3.366 1.00 0.00 O ATOM 0 H GLU A 51 5.131 10.362 -0.827 1.00 0.00 H new ATOM 0 HA GLU A 51 4.473 13.086 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.266 11.785 0.556 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.030 13.517 0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.648 13.302 0.933 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.732 11.554 0.840 1.00 0.00 H new ATOM 472 N VAL A 52 7.527 11.899 -2.173 1.00 0.00 N ATOM 473 CA VAL A 52 8.725 12.159 -2.989 1.00 0.00 C ATOM 474 C VAL A 52 8.370 12.383 -4.452 1.00 0.00 C ATOM 475 O VAL A 52 8.783 13.378 -5.048 1.00 0.00 O ATOM 476 CB VAL A 52 9.823 11.089 -2.861 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.472 11.113 -1.479 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.447 9.659 -3.185 1.00 0.00 C ATOM 0 H VAL A 52 7.541 10.999 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 52 9.147 13.077 -2.579 1.00 0.00 H new ATOM 0 HB VAL A 52 10.517 11.391 -3.646 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.243 10.344 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.922 12.090 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.715 10.922 -0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.316 9.015 -3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.648 9.333 -2.519 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.105 9.598 -4.218 1.00 0.00 H new ATOM 488 N MET A 53 7.534 11.506 -5.010 1.00 0.00 N ATOM 489 CA MET A 53 7.007 11.700 -6.364 1.00 0.00 C ATOM 490 C MET A 53 6.115 12.951 -6.514 1.00 0.00 C ATOM 491 O MET A 53 6.128 13.563 -7.577 1.00 0.00 O ATOM 492 CB MET A 53 6.366 10.419 -6.919 1.00 0.00 C ATOM 493 CG MET A 53 4.920 10.182 -6.473 1.00 0.00 C ATOM 494 SD MET A 53 4.224 8.578 -6.966 1.00 0.00 S ATOM 495 CE MET A 53 4.496 8.626 -8.761 1.00 0.00 C ATOM 0 H MET A 53 7.208 10.657 -4.548 1.00 0.00 H new ATOM 0 HA MET A 53 7.870 11.912 -6.996 1.00 0.00 H new ATOM 0 HB2 MET A 53 6.394 10.457 -8.008 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.971 9.565 -6.614 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.871 10.265 -5.387 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.294 10.975 -6.882 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.938 7.818 -9.235 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.155 9.583 -9.155 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.559 8.505 -8.971 1.00 0.00 H new ATOM 505 N HIS A 54 5.407 13.416 -5.475 1.00 0.00 N ATOM 506 CA HIS A 54 4.606 14.653 -5.565 1.00 0.00 C ATOM 507 C HIS A 54 5.478 15.894 -5.791 1.00 0.00 C ATOM 508 O HIS A 54 5.116 16.775 -6.574 1.00 0.00 O ATOM 509 CB HIS A 54 3.737 14.832 -4.314 1.00 0.00 C ATOM 510 CG HIS A 54 2.774 15.988 -4.442 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.601 15.986 -5.205 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.929 17.219 -3.871 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.076 17.217 -5.074 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.851 17.976 -4.278 1.00 0.00 N ATOM 0 H HIS A 54 5.370 12.959 -4.564 1.00 0.00 H new ATOM 0 HA HIS A 54 3.957 14.548 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.177 13.915 -4.130 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.380 14.992 -3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.736 17.537 -3.228 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.161 17.550 -5.542 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.672 18.946 -4.020 1.00 0.00 H new ATOM 522 N TYR A 55 6.673 15.934 -5.192 1.00 0.00 N ATOM 523 CA TYR A 55 7.657 16.982 -5.484 1.00 0.00 C ATOM 524 C TYR A 55 8.170 16.934 -6.929 1.00 0.00 C ATOM 525 O TYR A 55 8.525 17.983 -7.455 1.00 0.00 O ATOM 526 CB TYR A 55 8.824 16.949 -4.493 1.00 0.00 C ATOM 527 CG TYR A 55 8.408 17.143 -3.050 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.783 18.339 -2.651 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.607 16.115 -2.115 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.313 18.489 -1.333 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.141 16.259 -0.796 1.00 0.00 C ATOM 532 CZ TYR A 55 7.495 17.450 -0.398 1.00 0.00 C ATOM 533 OH TYR A 55 7.072 17.621 0.885 1.00 0.00 O ATOM 0 H TYR A 55 6.983 15.251 -4.500 1.00 0.00 H new ATOM 0 HA TYR A 55 7.131 17.930 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 55 9.341 15.994 -4.587 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.539 17.726 -4.763 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.663 19.145 -3.359 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.119 15.211 -2.409 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.813 19.400 -1.038 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.277 15.457 -0.086 1.00 0.00 H new ATOM 0 HH TYR A 55 7.269 16.814 1.405 1.00 0.00 H new ATOM 543 N LEU A 56 8.169 15.776 -7.605 1.00 0.00 N ATOM 544 CA LEU A 56 8.435 15.717 -9.052 1.00 0.00 C ATOM 545 C LEU A 56 7.312 16.419 -9.821 1.00 0.00 C ATOM 546 O LEU A 56 7.585 17.260 -10.670 1.00 0.00 O ATOM 547 CB LEU A 56 8.556 14.272 -9.565 1.00 0.00 C ATOM 548 CG LEU A 56 9.490 13.347 -8.783 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.372 11.934 -9.346 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.941 13.804 -8.842 1.00 0.00 C ATOM 0 H LEU A 56 7.988 14.869 -7.175 1.00 0.00 H new ATOM 0 HA LEU A 56 9.387 16.220 -9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.561 13.827 -9.570 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.896 14.305 -10.600 1.00 0.00 H new ATOM 0 HG LEU A 56 9.188 13.371 -7.736 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.034 11.266 -8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.343 11.588 -9.247 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.654 11.937 -10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.563 13.114 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.275 13.821 -9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.025 14.804 -8.417 1.00 0.00 H new ATOM 562 N GLY A 57 6.052 16.139 -9.473 1.00 0.00 N ATOM 563 CA GLY A 57 4.889 16.813 -10.052 1.00 0.00 C ATOM 564 C GLY A 57 4.964 18.335 -9.911 1.00 0.00 C ATOM 565 O GLY A 57 4.857 19.057 -10.905 1.00 0.00 O ATOM 0 H GLY A 57 5.811 15.434 -8.777 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.810 16.552 -11.107 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.983 16.450 -9.566 1.00 0.00 H new ATOM 569 N GLN A 58 5.290 18.836 -8.712 1.00 0.00 N ATOM 570 CA GLN A 58 5.468 20.277 -8.499 1.00 0.00 C ATOM 571 C GLN A 58 6.731 20.827 -9.184 1.00 0.00 C ATOM 572 O GLN A 58 6.683 21.942 -9.699 1.00 0.00 O ATOM 573 CB GLN A 58 5.364 20.641 -7.004 1.00 0.00 C ATOM 574 CG GLN A 58 6.707 20.909 -6.301 1.00 0.00 C ATOM 575 CD GLN A 58 6.545 21.178 -4.800 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.649 20.683 -4.130 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.433 21.940 -4.201 1.00 0.00 N ATOM 0 H GLN A 58 5.435 18.267 -7.878 1.00 0.00 H new ATOM 0 HA GLN A 58 4.641 20.785 -8.995 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.737 21.527 -6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.855 19.830 -6.483 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.365 20.052 -6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.193 21.765 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.189 22.363 -4.740 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.366 22.108 -3.197 1.00 0.00 H new ATOM 586 N TYR A 59 7.836 20.064 -9.242 1.00 0.00 N ATOM 587 CA TYR A 59 9.054 20.442 -9.966 1.00 0.00 C ATOM 588 C TYR A 59 8.714 20.671 -11.440 1.00 0.00 C ATOM 589 O TYR A 59 9.011 21.721 -11.989 1.00 0.00 O ATOM 590 CB TYR A 59 10.124 19.339 -9.839 1.00 0.00 C ATOM 591 CG TYR A 59 11.418 19.549 -10.607 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.460 19.266 -11.987 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.597 19.933 -9.938 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.676 19.325 -12.693 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.822 19.962 -10.635 1.00 0.00 C ATOM 596 CZ TYR A 59 13.868 19.635 -12.007 1.00 0.00 C ATOM 597 OH TYR A 59 15.058 19.629 -12.669 1.00 0.00 O ATOM 0 H TYR A 59 7.906 19.157 -8.781 1.00 0.00 H new ATOM 0 HA TYR A 59 9.454 21.360 -9.534 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.370 19.224 -8.783 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.683 18.398 -10.168 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.551 19.002 -12.507 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.562 20.205 -8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.696 19.134 -13.756 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.729 20.236 -10.117 1.00 0.00 H new ATOM 0 HH TYR A 59 15.016 20.254 -13.423 1.00 0.00 H new ATOM 607 N ILE A 60 8.021 19.723 -12.076 1.00 0.00 N ATOM 608 CA ILE A 60 7.598 19.830 -13.477 1.00 0.00 C ATOM 609 C ILE A 60 6.647 21.017 -13.646 1.00 0.00 C ATOM 610 O ILE A 60 6.794 21.780 -14.594 1.00 0.00 O ATOM 611 CB ILE A 60 6.935 18.512 -13.929 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.894 17.306 -13.842 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.387 18.636 -15.362 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.113 16.013 -13.582 1.00 0.00 C ATOM 0 H ILE A 60 7.735 18.851 -11.630 1.00 0.00 H new ATOM 0 HA ILE A 60 8.470 20.003 -14.107 1.00 0.00 H new ATOM 0 HB ILE A 60 6.111 18.330 -13.239 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.459 17.216 -14.770 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.618 17.467 -13.043 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.925 17.694 -15.657 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.644 19.433 -15.400 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.204 18.869 -16.045 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.807 15.174 -13.524 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.569 16.099 -12.642 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.407 15.844 -14.395 1.00 0.00 H new ATOM 626 N MET A 61 5.708 21.217 -12.720 1.00 0.00 N ATOM 627 CA MET A 61 4.747 22.319 -12.785 1.00 0.00 C ATOM 628 C MET A 61 5.428 23.701 -12.710 1.00 0.00 C ATOM 629 O MET A 61 5.077 24.594 -13.482 1.00 0.00 O ATOM 630 CB MET A 61 3.698 22.122 -11.678 1.00 0.00 C ATOM 631 CG MET A 61 2.493 23.054 -11.831 1.00 0.00 C ATOM 632 SD MET A 61 1.525 22.785 -13.345 1.00 0.00 S ATOM 633 CE MET A 61 1.478 24.484 -13.977 1.00 0.00 C ATOM 0 H MET A 61 5.592 20.618 -11.902 1.00 0.00 H new ATOM 0 HA MET A 61 4.251 22.301 -13.755 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.355 21.087 -11.688 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.164 22.294 -10.708 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.839 22.927 -10.968 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.843 24.086 -11.816 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.918 24.509 -14.912 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.993 25.131 -13.246 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.495 24.835 -14.154 1.00 0.00 H new ATOM 643 N VAL A 62 6.447 23.876 -11.853 1.00 0.00 N ATOM 644 CA VAL A 62 7.223 25.133 -11.765 1.00 0.00 C ATOM 645 C VAL A 62 8.215 25.287 -12.924 1.00 0.00 C ATOM 646 O VAL A 62 8.313 26.358 -13.522 1.00 0.00 O ATOM 647 CB VAL A 62 7.880 25.295 -10.378 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.055 24.362 -10.072 1.00 0.00 C ATOM 649 CG2 VAL A 62 8.398 26.718 -10.175 1.00 0.00 C ATOM 0 H VAL A 62 6.759 23.155 -11.202 1.00 0.00 H new ATOM 0 HA VAL A 62 6.520 25.959 -11.872 1.00 0.00 H new ATOM 0 HB VAL A 62 7.066 25.035 -9.701 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.433 24.569 -9.071 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.721 23.326 -10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.849 24.526 -10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.855 26.802 -9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 62 9.140 26.948 -10.940 1.00 0.00 H new ATOM 0 HG23 VAL A 62 7.569 27.421 -10.251 1.00 0.00 H new ATOM 659 N LYS A 63 8.890 24.201 -13.318 1.00 0.00 N ATOM 660 CA LYS A 63 9.796 24.143 -14.484 1.00 0.00 C ATOM 661 C LYS A 63 9.078 24.084 -15.850 1.00 0.00 C ATOM 662 O LYS A 63 9.753 24.171 -16.872 1.00 0.00 O ATOM 663 CB LYS A 63 10.743 22.937 -14.343 1.00 0.00 C ATOM 664 CG LYS A 63 11.687 22.960 -13.136 1.00 0.00 C ATOM 665 CD LYS A 63 12.683 24.124 -13.126 1.00 0.00 C ATOM 666 CE LYS A 63 13.778 23.828 -12.091 1.00 0.00 C ATOM 667 NZ LYS A 63 14.907 23.055 -12.689 1.00 0.00 N ATOM 0 H LYS A 63 8.823 23.311 -12.825 1.00 0.00 H new ATOM 0 HA LYS A 63 10.351 25.081 -14.479 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.139 22.031 -14.290 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.345 22.866 -15.249 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.090 23.003 -12.225 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.243 22.023 -13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.123 24.253 -14.115 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.173 25.055 -12.880 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.155 24.765 -11.682 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.351 23.266 -11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.800 23.343 -12.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.753 22.038 -12.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.955 23.245 -13.710 1.00 0.00 H new ATOM 681 N GLN A 64 7.745 23.923 -15.866 1.00 0.00 N ATOM 682 CA GLN A 64 6.850 23.629 -17.003 1.00 0.00 C ATOM 683 C GLN A 64 7.484 22.706 -18.056 1.00 0.00 C ATOM 684 O GLN A 64 7.709 23.102 -19.202 1.00 0.00 O ATOM 685 CB GLN A 64 6.153 24.885 -17.548 1.00 0.00 C ATOM 686 CG GLN A 64 7.112 25.984 -18.019 1.00 0.00 C ATOM 687 CD GLN A 64 6.864 27.296 -17.282 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.339 28.262 -17.823 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.202 27.373 -16.011 1.00 0.00 N ATOM 0 H GLN A 64 7.213 24.003 -15.000 1.00 0.00 H new ATOM 0 HA GLN A 64 6.031 23.026 -16.612 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.511 24.598 -18.381 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.505 25.292 -16.772 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.141 25.664 -17.858 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.991 26.139 -19.091 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.640 26.575 -15.550 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.026 28.231 -15.488 1.00 0.00 H new ATOM 698 N LEU A 65 7.781 21.459 -17.651 1.00 0.00 N ATOM 699 CA LEU A 65 8.465 20.485 -18.508 1.00 0.00 C ATOM 700 C LEU A 65 7.491 19.622 -19.326 1.00 0.00 C ATOM 701 O LEU A 65 7.919 18.677 -19.976 1.00 0.00 O ATOM 702 CB LEU A 65 9.526 19.651 -17.743 1.00 0.00 C ATOM 703 CG LEU A 65 10.635 20.447 -17.032 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.628 19.502 -16.361 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.416 21.353 -17.982 1.00 0.00 C ATOM 0 H LEU A 65 7.553 21.102 -16.723 1.00 0.00 H new ATOM 0 HA LEU A 65 9.023 21.069 -19.240 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.012 19.042 -17.000 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.995 18.965 -18.448 1.00 0.00 H new ATOM 0 HG LEU A 65 10.129 21.069 -16.294 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.404 20.083 -15.864 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.107 18.889 -15.626 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.083 18.858 -17.114 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.184 21.889 -17.424 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.886 20.748 -18.758 1.00 0.00 H new ATOM 0 HD23 LEU A 65 10.736 22.069 -18.443 1.00 0.00 H new ATOM 717 N TYR A 66 6.188 19.911 -19.300 1.00 0.00 N ATOM 718 CA TYR A 66 5.180 19.164 -20.059 1.00 0.00 C ATOM 719 C TYR A 66 4.909 19.748 -21.457 1.00 0.00 C ATOM 720 O TYR A 66 5.269 20.889 -21.761 1.00 0.00 O ATOM 721 CB TYR A 66 3.888 19.015 -19.250 1.00 0.00 C ATOM 722 CG TYR A 66 3.362 20.333 -18.731 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.591 21.175 -19.548 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.741 20.744 -17.446 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.192 22.441 -19.075 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.352 22.009 -16.964 1.00 0.00 C ATOM 727 CZ TYR A 66 2.577 22.863 -17.781 1.00 0.00 C ATOM 728 OH TYR A 66 2.223 24.096 -17.325 1.00 0.00 O ATOM 0 H TYR A 66 5.799 20.675 -18.748 1.00 0.00 H new ATOM 0 HA TYR A 66 5.596 18.172 -20.231 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.127 18.547 -19.874 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.067 18.345 -18.409 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.304 20.853 -20.538 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.333 20.089 -16.824 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.593 23.088 -19.699 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.645 22.325 -15.974 1.00 0.00 H new ATOM 0 HH TYR A 66 1.374 24.365 -17.734 1.00 0.00 H new ATOM 738 N ASP A 67 4.243 18.970 -22.313 1.00 0.00 N ATOM 739 CA ASP A 67 3.814 19.406 -23.646 1.00 0.00 C ATOM 740 C ASP A 67 2.617 20.377 -23.589 1.00 0.00 C ATOM 741 O ASP A 67 1.635 20.136 -22.883 1.00 0.00 O ATOM 742 CB ASP A 67 3.456 18.174 -24.495 1.00 0.00 C ATOM 743 CG ASP A 67 3.480 18.449 -26.009 1.00 0.00 C ATOM 744 OD1 ASP A 67 2.858 19.443 -26.458 1.00 0.00 O ATOM 745 OD2 ASP A 67 4.147 17.698 -26.757 1.00 0.00 O ATOM 0 H ASP A 67 3.983 18.007 -22.098 1.00 0.00 H new ATOM 0 HA ASP A 67 4.643 19.948 -24.102 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.155 17.369 -24.268 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.464 17.823 -24.212 1.00 0.00 H new ATOM 750 N GLN A 68 2.657 21.441 -24.396 1.00 0.00 N ATOM 751 CA GLN A 68 1.527 22.346 -24.656 1.00 0.00 C ATOM 752 C GLN A 68 0.217 21.631 -25.031 1.00 0.00 C ATOM 753 O GLN A 68 -0.877 22.008 -24.610 1.00 0.00 O ATOM 754 CB GLN A 68 1.854 23.356 -25.750 1.00 0.00 C ATOM 755 CG GLN A 68 2.602 22.841 -26.958 1.00 0.00 C ATOM 756 CD GLN A 68 4.115 22.748 -26.809 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.842 23.731 -26.766 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.626 21.542 -26.705 1.00 0.00 N ATOM 0 H GLN A 68 3.501 21.707 -24.903 1.00 0.00 H new ATOM 0 HA GLN A 68 1.368 22.852 -23.704 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.919 23.798 -26.094 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.441 24.159 -25.305 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.218 21.851 -27.205 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.378 23.490 -27.805 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.016 20.725 -26.741 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.632 21.423 -26.588 1.00 0.00 H new ATOM 767 N GLN A 69 0.357 20.603 -25.856 1.00 0.00 N ATOM 768 CA GLN A 69 -0.719 19.791 -26.417 1.00 0.00 C ATOM 769 C GLN A 69 -1.166 18.654 -25.477 1.00 0.00 C ATOM 770 O GLN A 69 -2.272 18.131 -25.620 1.00 0.00 O ATOM 771 CB GLN A 69 -0.254 19.233 -27.771 1.00 0.00 C ATOM 772 CG GLN A 69 -0.002 20.341 -28.816 1.00 0.00 C ATOM 773 CD GLN A 69 1.176 20.036 -29.739 1.00 0.00 C ATOM 774 OE1 GLN A 69 1.045 19.931 -30.953 1.00 0.00 O ATOM 775 NE2 GLN A 69 2.375 19.915 -29.208 1.00 0.00 N ATOM 0 H GLN A 69 1.277 20.294 -26.171 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.594 20.427 -26.549 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.661 18.659 -27.628 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.006 18.543 -28.153 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.901 20.477 -29.417 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.182 21.284 -28.300 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.497 20.000 -28.199 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.182 19.736 -29.806 1.00 0.00 H new ATOM 784 N GLU A 70 -0.313 18.269 -24.519 1.00 0.00 N ATOM 785 CA GLU A 70 -0.497 17.107 -23.628 1.00 0.00 C ATOM 786 C GLU A 70 0.132 17.346 -22.240 1.00 0.00 C ATOM 787 O GLU A 70 1.269 16.963 -21.971 1.00 0.00 O ATOM 788 CB GLU A 70 0.086 15.828 -24.268 1.00 0.00 C ATOM 789 CG GLU A 70 -0.770 15.264 -25.408 1.00 0.00 C ATOM 790 CD GLU A 70 -0.340 13.827 -25.759 1.00 0.00 C ATOM 791 OE1 GLU A 70 -0.767 12.880 -25.051 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.412 13.632 -26.746 1.00 0.00 O ATOM 0 H GLU A 70 0.555 18.772 -24.333 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.570 16.972 -23.489 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.084 16.045 -24.648 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.197 15.065 -23.497 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.821 15.273 -25.118 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.677 15.901 -26.288 1.00 0.00 H new ATOM 799 N GLN A 71 -0.625 17.964 -21.329 1.00 0.00 N ATOM 800 CA GLN A 71 -0.163 18.364 -19.992 1.00 0.00 C ATOM 801 C GLN A 71 0.309 17.200 -19.100 1.00 0.00 C ATOM 802 O GLN A 71 1.158 17.390 -18.231 1.00 0.00 O ATOM 803 CB GLN A 71 -1.327 19.095 -19.311 1.00 0.00 C ATOM 804 CG GLN A 71 -1.392 20.594 -19.637 1.00 0.00 C ATOM 805 CD GLN A 71 -1.852 20.929 -21.054 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.006 21.258 -21.297 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.993 20.875 -22.047 1.00 0.00 N ATOM 0 H GLN A 71 -1.600 18.207 -21.503 1.00 0.00 H new ATOM 0 HA GLN A 71 0.716 18.996 -20.122 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.264 18.626 -19.612 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.240 18.971 -18.232 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.067 21.075 -18.929 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.404 21.027 -19.480 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.026 20.604 -21.870 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.294 21.104 -22.994 1.00 0.00 H new ATOM 816 N HIS A 72 -0.220 15.995 -19.313 1.00 0.00 N ATOM 817 CA HIS A 72 0.184 14.754 -18.639 1.00 0.00 C ATOM 818 C HIS A 72 1.481 14.137 -19.200 1.00 0.00 C ATOM 819 O HIS A 72 2.044 13.242 -18.571 1.00 0.00 O ATOM 820 CB HIS A 72 -0.977 13.754 -18.761 1.00 0.00 C ATOM 821 CG HIS A 72 -1.482 13.642 -20.173 1.00 0.00 C ATOM 822 ND1 HIS A 72 -2.427 14.488 -20.752 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.909 12.877 -21.142 1.00 0.00 C ATOM 824 CE1 HIS A 72 -2.408 14.216 -22.063 1.00 0.00 C ATOM 825 NE2 HIS A 72 -1.517 13.242 -22.327 1.00 0.00 N ATOM 0 H HIS A 72 -0.972 15.847 -19.986 1.00 0.00 H new ATOM 0 HA HIS A 72 0.402 14.992 -17.598 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.648 12.774 -18.415 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -1.793 14.065 -18.108 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -0.135 12.135 -21.011 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -3.021 14.708 -22.804 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.324 12.842 -23.245 1.00 0.00 H new ATOM 833 N MET A 73 1.953 14.585 -20.368 1.00 0.00 N ATOM 834 CA MET A 73 3.172 14.097 -21.019 1.00 0.00 C ATOM 835 C MET A 73 4.342 15.041 -20.718 1.00 0.00 C ATOM 836 O MET A 73 4.287 16.236 -21.015 1.00 0.00 O ATOM 837 CB MET A 73 2.930 13.932 -22.527 1.00 0.00 C ATOM 838 CG MET A 73 4.095 13.213 -23.213 1.00 0.00 C ATOM 839 SD MET A 73 4.345 11.499 -22.673 1.00 0.00 S ATOM 840 CE MET A 73 5.900 11.153 -23.531 1.00 0.00 C ATOM 0 H MET A 73 1.484 15.317 -20.901 1.00 0.00 H new ATOM 0 HA MET A 73 3.436 13.117 -20.622 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.010 13.370 -22.688 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.789 14.912 -22.982 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.926 13.220 -24.290 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.011 13.775 -23.030 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.428 10.350 -23.017 1.00 0.00 H new ATOM 0 HE2 MET A 73 5.690 10.851 -24.557 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.520 12.050 -23.537 1.00 0.00 H new ATOM 850 N VAL A 74 5.407 14.502 -20.126 1.00 0.00 N ATOM 851 CA VAL A 74 6.535 15.257 -19.558 1.00 0.00 C ATOM 852 C VAL A 74 7.803 15.031 -20.397 1.00 0.00 C ATOM 853 O VAL A 74 8.077 13.910 -20.827 1.00 0.00 O ATOM 854 CB VAL A 74 6.788 14.822 -18.102 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.788 15.775 -17.438 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.499 14.837 -17.263 1.00 0.00 C ATOM 0 H VAL A 74 5.517 13.493 -20.023 1.00 0.00 H new ATOM 0 HA VAL A 74 6.285 16.318 -19.573 1.00 0.00 H new ATOM 0 HB VAL A 74 7.177 13.805 -18.139 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.962 15.461 -16.409 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.729 15.755 -17.987 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.385 16.788 -17.445 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.725 14.523 -16.244 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.085 15.845 -17.249 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.772 14.153 -17.701 1.00 0.00 H new ATOM 866 N TYR A 75 8.599 16.085 -20.583 1.00 0.00 N ATOM 867 CA TYR A 75 9.830 16.144 -21.374 1.00 0.00 C ATOM 868 C TYR A 75 10.981 16.772 -20.553 1.00 0.00 C ATOM 869 O TYR A 75 11.220 17.980 -20.597 1.00 0.00 O ATOM 870 CB TYR A 75 9.538 16.913 -22.671 1.00 0.00 C ATOM 871 CG TYR A 75 8.719 16.078 -23.630 1.00 0.00 C ATOM 872 CD1 TYR A 75 9.345 15.006 -24.290 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.337 16.302 -23.792 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.591 14.138 -25.096 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.586 15.447 -24.621 1.00 0.00 C ATOM 876 CZ TYR A 75 7.207 14.360 -25.274 1.00 0.00 C ATOM 877 OH TYR A 75 6.467 13.533 -26.064 1.00 0.00 O ATOM 0 H TYR A 75 8.385 16.985 -20.154 1.00 0.00 H new ATOM 0 HA TYR A 75 10.162 15.140 -21.636 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.003 17.834 -22.438 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.476 17.201 -23.145 1.00 0.00 H new ATOM 0 HD1 TYR A 75 10.408 14.850 -24.177 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.857 17.125 -23.283 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.069 13.300 -25.580 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.529 15.624 -24.758 1.00 0.00 H new ATOM 0 HH TYR A 75 5.535 13.835 -26.071 1.00 0.00 H new ATOM 887 N CYS A 76 11.698 15.942 -19.786 1.00 0.00 N ATOM 888 CA CYS A 76 12.786 16.333 -18.876 1.00 0.00 C ATOM 889 C CYS A 76 14.192 16.403 -19.502 1.00 0.00 C ATOM 890 O CYS A 76 15.160 16.675 -18.788 1.00 0.00 O ATOM 891 CB CYS A 76 12.760 15.432 -17.630 1.00 0.00 C ATOM 892 SG CYS A 76 11.275 15.753 -16.637 1.00 0.00 S ATOM 0 H CYS A 76 11.530 14.936 -19.781 1.00 0.00 H new ATOM 0 HA CYS A 76 12.585 17.368 -18.600 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.782 14.385 -17.932 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.651 15.609 -17.028 1.00 0.00 H new ATOM 0 HG CYS A 76 11.276 14.979 -15.593 1.00 0.00 H new ATOM 898 N GLY A 77 14.334 16.166 -20.811 1.00 0.00 N ATOM 899 CA GLY A 77 15.628 16.229 -21.503 1.00 0.00 C ATOM 900 C GLY A 77 16.352 17.567 -21.281 1.00 0.00 C ATOM 901 O GLY A 77 15.813 18.634 -21.586 1.00 0.00 O ATOM 0 H GLY A 77 13.554 15.925 -21.422 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.263 15.414 -21.154 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.473 16.077 -22.571 1.00 0.00 H new ATOM 905 N GLY A 78 17.570 17.501 -20.734 1.00 0.00 N ATOM 906 CA GLY A 78 18.403 18.660 -20.386 1.00 0.00 C ATOM 907 C GLY A 78 18.243 19.196 -18.952 1.00 0.00 C ATOM 908 O GLY A 78 19.010 20.081 -18.564 1.00 0.00 O ATOM 0 H GLY A 78 18.019 16.612 -20.514 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.448 18.391 -20.538 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.177 19.468 -21.082 1.00 0.00 H new ATOM 912 N ASP A 79 17.311 18.675 -18.142 1.00 0.00 N ATOM 913 CA ASP A 79 17.156 19.017 -16.721 1.00 0.00 C ATOM 914 C ASP A 79 17.695 17.910 -15.791 1.00 0.00 C ATOM 915 O ASP A 79 17.807 16.743 -16.187 1.00 0.00 O ATOM 916 CB ASP A 79 15.682 19.351 -16.441 1.00 0.00 C ATOM 917 CG ASP A 79 15.446 20.873 -16.447 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.162 21.443 -17.528 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.569 21.510 -15.372 1.00 0.00 O ATOM 0 H ASP A 79 16.629 17.989 -18.464 1.00 0.00 H new ATOM 0 HA ASP A 79 17.761 19.897 -16.503 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.050 18.879 -17.193 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.390 18.939 -15.475 1.00 0.00 H new ATOM 924 N LEU A 80 18.010 18.264 -14.533 1.00 0.00 N ATOM 925 CA LEU A 80 18.605 17.329 -13.562 1.00 0.00 C ATOM 926 C LEU A 80 17.719 16.104 -13.352 1.00 0.00 C ATOM 927 O LEU A 80 18.218 14.982 -13.350 1.00 0.00 O ATOM 928 CB LEU A 80 18.813 18.017 -12.201 1.00 0.00 C ATOM 929 CG LEU A 80 19.786 17.289 -11.245 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.190 17.100 -11.820 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.941 18.109 -9.961 1.00 0.00 C ATOM 0 H LEU A 80 17.860 19.202 -14.162 1.00 0.00 H new ATOM 0 HA LEU A 80 19.564 17.014 -13.972 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.185 19.027 -12.374 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.846 18.113 -11.707 1.00 0.00 H new ATOM 0 HG LEU A 80 19.351 16.305 -11.071 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.815 16.582 -11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.132 16.509 -12.734 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.625 18.074 -12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.626 17.599 -9.284 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.338 19.095 -10.204 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.969 18.218 -9.479 1.00 0.00 H new ATOM 943 N LEU A 81 16.402 16.321 -13.212 1.00 0.00 N ATOM 944 CA LEU A 81 15.444 15.227 -13.106 1.00 0.00 C ATOM 945 C LEU A 81 15.553 14.244 -14.294 1.00 0.00 C ATOM 946 O LEU A 81 15.573 13.036 -14.085 1.00 0.00 O ATOM 947 CB LEU A 81 14.025 15.816 -12.952 1.00 0.00 C ATOM 948 CG LEU A 81 12.865 14.798 -12.971 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.044 13.647 -11.978 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.554 15.515 -12.643 1.00 0.00 C ATOM 0 H LEU A 81 15.982 17.250 -13.170 1.00 0.00 H new ATOM 0 HA LEU A 81 15.673 14.635 -12.220 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.982 16.368 -12.013 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.863 16.537 -13.754 1.00 0.00 H new ATOM 0 HG LEU A 81 12.852 14.368 -13.972 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.191 12.971 -12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.959 13.103 -12.213 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.110 14.046 -10.966 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.734 14.797 -12.656 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.624 15.968 -11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.368 16.292 -13.385 1.00 0.00 H new ATOM 962 N GLY A 82 15.689 14.737 -15.530 1.00 0.00 N ATOM 963 CA GLY A 82 15.861 13.896 -16.725 1.00 0.00 C ATOM 964 C GLY A 82 17.181 13.120 -16.729 1.00 0.00 C ATOM 965 O GLY A 82 17.202 11.917 -17.002 1.00 0.00 O ATOM 0 H GLY A 82 15.683 15.737 -15.733 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.032 13.191 -16.788 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.813 14.525 -17.614 1.00 0.00 H new ATOM 969 N GLU A 83 18.279 13.778 -16.346 1.00 0.00 N ATOM 970 CA GLU A 83 19.592 13.126 -16.229 1.00 0.00 C ATOM 971 C GLU A 83 19.592 12.028 -15.146 1.00 0.00 C ATOM 972 O GLU A 83 20.187 10.964 -15.334 1.00 0.00 O ATOM 973 CB GLU A 83 20.692 14.197 -16.057 1.00 0.00 C ATOM 974 CG GLU A 83 21.514 14.153 -14.762 1.00 0.00 C ATOM 975 CD GLU A 83 22.709 15.130 -14.820 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.520 16.338 -15.105 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.862 14.691 -14.582 1.00 0.00 O ATOM 0 H GLU A 83 18.286 14.770 -16.109 1.00 0.00 H new ATOM 0 HA GLU A 83 19.819 12.592 -17.152 1.00 0.00 H new ATOM 0 HB2 GLU A 83 21.381 14.113 -16.898 1.00 0.00 H new ATOM 0 HB3 GLU A 83 20.223 15.178 -16.127 1.00 0.00 H new ATOM 0 HG2 GLU A 83 20.876 14.406 -13.915 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.878 13.139 -14.595 1.00 0.00 H new ATOM 984 N LEU A 84 18.868 12.257 -14.045 1.00 0.00 N ATOM 985 CA LEU A 84 18.701 11.311 -12.941 1.00 0.00 C ATOM 986 C LEU A 84 17.742 10.150 -13.271 1.00 0.00 C ATOM 987 O LEU A 84 17.991 9.011 -12.873 1.00 0.00 O ATOM 988 CB LEU A 84 18.249 12.112 -11.711 1.00 0.00 C ATOM 989 CG LEU A 84 18.153 11.296 -10.413 1.00 0.00 C ATOM 990 CD1 LEU A 84 19.483 10.654 -10.013 1.00 0.00 C ATOM 991 CD2 LEU A 84 17.733 12.244 -9.297 1.00 0.00 C ATOM 0 H LEU A 84 18.368 13.133 -13.895 1.00 0.00 H new ATOM 0 HA LEU A 84 19.653 10.819 -12.742 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.945 12.936 -11.555 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.274 12.553 -11.920 1.00 0.00 H new ATOM 0 HG LEU A 84 17.435 10.493 -10.576 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.352 10.091 -9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.815 9.981 -10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.231 11.432 -9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.656 11.692 -8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 84 18.476 13.035 -9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.766 12.685 -9.539 1.00 0.00 H new ATOM 1003 N LEU A 85 16.680 10.420 -14.038 1.00 0.00 N ATOM 1004 CA LEU A 85 15.791 9.405 -14.620 1.00 0.00 C ATOM 1005 C LEU A 85 16.555 8.483 -15.579 1.00 0.00 C ATOM 1006 O LEU A 85 16.292 7.281 -15.607 1.00 0.00 O ATOM 1007 CB LEU A 85 14.638 10.098 -15.383 1.00 0.00 C ATOM 1008 CG LEU A 85 13.492 10.561 -14.475 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.637 11.601 -15.189 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.574 9.394 -14.115 1.00 0.00 C ATOM 0 H LEU A 85 16.407 11.373 -14.278 1.00 0.00 H new ATOM 0 HA LEU A 85 15.389 8.800 -13.807 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.035 10.959 -15.921 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.243 9.410 -16.130 1.00 0.00 H new ATOM 0 HG LEU A 85 13.944 10.979 -13.576 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.828 11.920 -14.532 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.253 12.461 -15.450 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.218 11.166 -16.096 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.770 9.749 -13.471 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.149 8.971 -15.025 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.147 8.628 -13.592 1.00 0.00 H new ATOM 1022 N GLY A 86 17.460 9.047 -16.389 1.00 0.00 N ATOM 1023 CA GLY A 86 18.143 8.348 -17.490 1.00 0.00 C ATOM 1024 C GLY A 86 17.322 8.286 -18.790 1.00 0.00 C ATOM 1025 O GLY A 86 17.722 7.621 -19.747 1.00 0.00 O ATOM 0 H GLY A 86 17.745 10.022 -16.297 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.090 8.848 -17.693 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.380 7.333 -17.172 1.00 0.00 H new ATOM 1029 N ARG A 87 16.171 8.976 -18.820 1.00 0.00 N ATOM 1030 CA ARG A 87 15.257 9.140 -19.960 1.00 0.00 C ATOM 1031 C ARG A 87 14.667 10.550 -19.961 1.00 0.00 C ATOM 1032 O ARG A 87 14.334 11.102 -18.914 1.00 0.00 O ATOM 1033 CB ARG A 87 14.187 8.022 -20.015 1.00 0.00 C ATOM 1034 CG ARG A 87 13.257 7.866 -18.795 1.00 0.00 C ATOM 1035 CD ARG A 87 13.866 7.006 -17.678 1.00 0.00 C ATOM 1036 NE ARG A 87 13.745 5.555 -17.927 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.185 4.597 -17.126 1.00 0.00 C ATOM 1038 NH1 ARG A 87 14.899 4.824 -16.066 1.00 0.00 N ATOM 1039 NH2 ARG A 87 13.917 3.347 -17.345 1.00 0.00 N ATOM 0 H ARG A 87 15.832 9.467 -17.993 1.00 0.00 H new ATOM 0 HA ARG A 87 15.826 9.029 -20.883 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.564 8.195 -20.893 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.700 7.073 -20.170 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.021 8.853 -18.397 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.317 7.419 -19.118 1.00 0.00 H new ATOM 0 HD2 ARG A 87 14.920 7.262 -17.565 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.377 7.248 -16.735 1.00 0.00 H new ATOM 0 HE ARG A 87 13.283 5.267 -18.789 1.00 0.00 H new ATOM 0 HH11 ARG A 87 15.148 5.780 -15.814 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.211 4.046 -15.485 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.353 3.080 -18.152 1.00 0.00 H new ATOM 0 HH22 ARG A 87 14.270 2.631 -16.710 1.00 0.00 H new ATOM 1053 N GLN A 88 14.540 11.119 -21.156 1.00 0.00 N ATOM 1054 CA GLN A 88 14.061 12.488 -21.391 1.00 0.00 C ATOM 1055 C GLN A 88 12.541 12.640 -21.363 1.00 0.00 C ATOM 1056 O GLN A 88 12.056 13.764 -21.403 1.00 0.00 O ATOM 1057 CB GLN A 88 14.658 13.027 -22.701 1.00 0.00 C ATOM 1058 CG GLN A 88 14.636 12.127 -23.953 1.00 0.00 C ATOM 1059 CD GLN A 88 13.234 11.807 -24.463 1.00 0.00 C ATOM 1060 OE1 GLN A 88 12.661 10.770 -24.159 1.00 0.00 O ATOM 1061 NE2 GLN A 88 12.618 12.680 -25.233 1.00 0.00 N ATOM 0 H GLN A 88 14.774 10.628 -22.019 1.00 0.00 H new ATOM 0 HA GLN A 88 14.411 13.088 -20.551 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.132 13.949 -22.948 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.696 13.295 -22.505 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.198 12.615 -24.749 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.151 11.193 -23.726 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.085 13.549 -25.494 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.674 12.487 -25.568 1.00 0.00 H new ATOM 1070 N SER A 89 11.785 11.550 -21.293 1.00 0.00 N ATOM 1071 CA SER A 89 10.312 11.614 -21.218 1.00 0.00 C ATOM 1072 C SER A 89 9.613 10.452 -20.506 1.00 0.00 C ATOM 1073 O SER A 89 10.143 9.344 -20.391 1.00 0.00 O ATOM 1074 CB SER A 89 9.711 11.785 -22.619 1.00 0.00 C ATOM 1075 OG SER A 89 9.922 10.645 -23.437 1.00 0.00 O ATOM 0 H SER A 89 12.161 10.602 -21.286 1.00 0.00 H new ATOM 0 HA SER A 89 10.124 12.484 -20.589 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.641 11.975 -22.533 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.152 12.660 -23.097 1.00 0.00 H new ATOM 0 HG SER A 89 10.853 10.629 -23.743 1.00 0.00 H new ATOM 1081 N PHE A 90 8.404 10.751 -20.017 1.00 0.00 N ATOM 1082 CA PHE A 90 7.458 9.854 -19.341 1.00 0.00 C ATOM 1083 C PHE A 90 6.059 10.512 -19.282 1.00 0.00 C ATOM 1084 O PHE A 90 5.901 11.688 -19.619 1.00 0.00 O ATOM 1085 CB PHE A 90 7.972 9.538 -17.925 1.00 0.00 C ATOM 1086 CG PHE A 90 8.164 10.743 -17.030 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.398 11.420 -17.019 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.110 11.192 -16.213 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.576 12.538 -16.191 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.297 12.305 -15.377 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.541 12.959 -15.341 1.00 0.00 C ATOM 0 H PHE A 90 8.033 11.698 -20.089 1.00 0.00 H new ATOM 0 HA PHE A 90 7.375 8.922 -19.900 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.271 8.855 -17.444 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.923 9.012 -18.009 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.207 11.079 -17.648 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.158 10.681 -16.229 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.512 13.077 -16.207 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.484 12.659 -14.761 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.700 13.783 -14.661 1.00 0.00 H new ATOM 1101 N SER A 91 5.044 9.777 -18.815 1.00 0.00 N ATOM 1102 CA SER A 91 3.679 10.283 -18.584 1.00 0.00 C ATOM 1103 C SER A 91 3.214 10.005 -17.154 1.00 0.00 C ATOM 1104 O SER A 91 3.586 8.988 -16.566 1.00 0.00 O ATOM 1105 CB SER A 91 2.716 9.646 -19.591 1.00 0.00 C ATOM 1106 OG SER A 91 1.374 10.020 -19.315 1.00 0.00 O ATOM 0 H SER A 91 5.147 8.790 -18.580 1.00 0.00 H new ATOM 0 HA SER A 91 3.687 11.364 -18.723 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.983 9.955 -20.602 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.810 8.561 -19.554 1.00 0.00 H new ATOM 0 HG SER A 91 0.777 9.604 -19.971 1.00 0.00 H new ATOM 1112 N VAL A 92 2.326 10.840 -16.600 1.00 0.00 N ATOM 1113 CA VAL A 92 1.646 10.572 -15.324 1.00 0.00 C ATOM 1114 C VAL A 92 0.804 9.281 -15.362 1.00 0.00 C ATOM 1115 O VAL A 92 0.491 8.704 -14.320 1.00 0.00 O ATOM 1116 CB VAL A 92 0.778 11.776 -14.908 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.472 13.124 -15.138 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.590 11.810 -15.596 1.00 0.00 C ATOM 0 H VAL A 92 2.057 11.727 -17.026 1.00 0.00 H new ATOM 0 HA VAL A 92 2.424 10.421 -14.575 1.00 0.00 H new ATOM 0 HB VAL A 92 0.627 11.628 -13.839 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.810 13.932 -14.826 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.393 13.163 -14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.707 13.236 -16.196 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.147 12.683 -15.256 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.453 11.865 -16.676 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.145 10.906 -15.346 1.00 0.00 H new ATOM 1128 N LYS A 93 0.456 8.817 -16.574 1.00 0.00 N ATOM 1129 CA LYS A 93 -0.297 7.582 -16.856 1.00 0.00 C ATOM 1130 C LYS A 93 0.599 6.329 -16.905 1.00 0.00 C ATOM 1131 O LYS A 93 0.090 5.212 -16.999 1.00 0.00 O ATOM 1132 CB LYS A 93 -1.079 7.769 -18.176 1.00 0.00 C ATOM 1133 CG LYS A 93 -2.042 8.973 -18.144 1.00 0.00 C ATOM 1134 CD LYS A 93 -2.643 9.281 -19.523 1.00 0.00 C ATOM 1135 CE LYS A 93 -3.503 10.553 -19.435 1.00 0.00 C ATOM 1136 NZ LYS A 93 -3.952 11.022 -20.776 1.00 0.00 N ATOM 0 H LYS A 93 0.705 9.318 -17.427 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.991 7.409 -16.034 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.372 7.899 -18.995 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.647 6.863 -18.386 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.847 8.772 -17.437 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.509 9.851 -17.779 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.848 9.417 -20.256 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.250 8.442 -19.863 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.374 10.358 -18.810 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.931 11.343 -18.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.528 11.881 -20.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.122 11.234 -21.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.520 10.279 -21.231 1.00 0.00 H new ATOM 1150 N ASP A 94 1.923 6.506 -16.845 1.00 0.00 N ATOM 1151 CA ASP A 94 2.942 5.451 -16.934 1.00 0.00 C ATOM 1152 C ASP A 94 4.148 5.775 -16.013 1.00 0.00 C ATOM 1153 O ASP A 94 5.169 6.286 -16.486 1.00 0.00 O ATOM 1154 CB ASP A 94 3.351 5.294 -18.410 1.00 0.00 C ATOM 1155 CG ASP A 94 4.401 4.188 -18.623 1.00 0.00 C ATOM 1156 OD1 ASP A 94 4.345 3.147 -17.924 1.00 0.00 O ATOM 1157 OD2 ASP A 94 5.261 4.335 -19.525 1.00 0.00 O ATOM 0 H ASP A 94 2.334 7.432 -16.728 1.00 0.00 H new ATOM 0 HA ASP A 94 2.539 4.501 -16.583 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.466 5.069 -19.006 1.00 0.00 H new ATOM 0 HB3 ASP A 94 3.748 6.241 -18.775 1.00 0.00 H new ATOM 1162 N PRO A 95 4.040 5.528 -14.688 1.00 0.00 N ATOM 1163 CA PRO A 95 5.016 5.980 -13.685 1.00 0.00 C ATOM 1164 C PRO A 95 6.300 5.137 -13.593 1.00 0.00 C ATOM 1165 O PRO A 95 7.244 5.538 -12.913 1.00 0.00 O ATOM 1166 CB PRO A 95 4.244 5.960 -12.362 1.00 0.00 C ATOM 1167 CG PRO A 95 3.255 4.813 -12.551 1.00 0.00 C ATOM 1168 CD PRO A 95 2.879 4.944 -14.027 1.00 0.00 C ATOM 0 HA PRO A 95 5.394 6.965 -13.959 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.905 5.786 -11.513 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.733 6.906 -12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.708 3.846 -12.331 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.387 4.914 -11.900 1.00 0.00 H new ATOM 0 HD2 PRO A 95 2.635 3.972 -14.455 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.000 5.577 -14.151 1.00 0.00 H new ATOM 1176 N SER A 96 6.373 3.984 -14.262 1.00 0.00 N ATOM 1177 CA SER A 96 7.505 3.040 -14.225 1.00 0.00 C ATOM 1178 C SER A 96 8.917 3.657 -14.317 1.00 0.00 C ATOM 1179 O SER A 96 9.749 3.282 -13.488 1.00 0.00 O ATOM 1180 CB SER A 96 7.333 1.979 -15.321 1.00 0.00 C ATOM 1181 OG SER A 96 6.110 1.278 -15.130 1.00 0.00 O ATOM 0 H SER A 96 5.618 3.665 -14.870 1.00 0.00 H new ATOM 0 HA SER A 96 7.461 2.604 -13.227 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.341 2.453 -16.302 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.170 1.281 -15.298 1.00 0.00 H new ATOM 0 HG SER A 96 6.006 0.604 -15.834 1.00 0.00 H new ATOM 1187 N PRO A 97 9.240 4.620 -15.215 1.00 0.00 N ATOM 1188 CA PRO A 97 10.577 5.230 -15.253 1.00 0.00 C ATOM 1189 C PRO A 97 10.948 6.009 -13.978 1.00 0.00 C ATOM 1190 O PRO A 97 12.127 6.073 -13.632 1.00 0.00 O ATOM 1191 CB PRO A 97 10.587 6.130 -16.495 1.00 0.00 C ATOM 1192 CG PRO A 97 9.116 6.438 -16.741 1.00 0.00 C ATOM 1193 CD PRO A 97 8.431 5.150 -16.311 1.00 0.00 C ATOM 0 HA PRO A 97 11.338 4.451 -15.304 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.162 7.040 -16.323 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.037 5.625 -17.350 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.777 7.292 -16.155 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.920 6.671 -17.788 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.408 5.340 -15.986 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.377 4.440 -17.137 1.00 0.00 H new ATOM 1201 N LEU A 98 9.969 6.545 -13.234 1.00 0.00 N ATOM 1202 CA LEU A 98 10.187 7.166 -11.927 1.00 0.00 C ATOM 1203 C LEU A 98 10.603 6.095 -10.910 1.00 0.00 C ATOM 1204 O LEU A 98 11.635 6.176 -10.245 1.00 0.00 O ATOM 1205 CB LEU A 98 8.879 7.846 -11.450 1.00 0.00 C ATOM 1206 CG LEU A 98 8.068 8.672 -12.466 1.00 0.00 C ATOM 1207 CD1 LEU A 98 6.811 9.221 -11.793 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.891 9.821 -13.020 1.00 0.00 C ATOM 0 H LEU A 98 8.993 6.558 -13.530 1.00 0.00 H new ATOM 0 HA LEU A 98 10.976 7.913 -12.012 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.225 7.068 -11.058 1.00 0.00 H new ATOM 0 HB3 LEU A 98 9.131 8.501 -10.616 1.00 0.00 H new ATOM 0 HG LEU A 98 7.791 8.019 -13.294 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.238 9.805 -12.513 1.00 0.00 H new ATOM 0 HD12 LEU A 98 6.201 8.393 -11.430 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.095 9.857 -10.954 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.292 10.386 -13.734 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.197 10.476 -12.204 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.776 9.427 -13.520 1.00 0.00 H new ATOM 1220 N TYR A 99 9.825 5.020 -10.833 1.00 0.00 N ATOM 1221 CA TYR A 99 10.096 3.946 -9.886 1.00 0.00 C ATOM 1222 C TYR A 99 11.436 3.255 -10.182 1.00 0.00 C ATOM 1223 O TYR A 99 12.122 2.838 -9.258 1.00 0.00 O ATOM 1224 CB TYR A 99 8.912 2.971 -9.870 1.00 0.00 C ATOM 1225 CG TYR A 99 7.728 3.467 -9.054 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.877 4.480 -9.548 1.00 0.00 C ATOM 1227 CD2 TYR A 99 7.491 2.913 -7.779 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.793 4.931 -8.766 1.00 0.00 C ATOM 1229 CE2 TYR A 99 6.406 3.358 -7.002 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.553 4.369 -7.492 1.00 0.00 C ATOM 1231 OH TYR A 99 4.503 4.787 -6.731 1.00 0.00 O ATOM 0 H TYR A 99 9.001 4.870 -11.416 1.00 0.00 H new ATOM 0 HA TYR A 99 10.199 4.365 -8.885 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.587 2.790 -10.894 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.245 2.014 -9.468 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.056 4.909 -10.523 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.146 2.143 -7.397 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.144 5.708 -9.142 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.226 2.925 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 99 4.492 4.289 -5.887 1.00 0.00 H new ATOM 1241 N ASP A 100 11.875 3.228 -11.440 1.00 0.00 N ATOM 1242 CA ASP A 100 13.173 2.687 -11.865 1.00 0.00 C ATOM 1243 C ASP A 100 14.360 3.531 -11.388 1.00 0.00 C ATOM 1244 O ASP A 100 15.420 3.004 -11.059 1.00 0.00 O ATOM 1245 CB ASP A 100 13.179 2.634 -13.386 1.00 0.00 C ATOM 1246 CG ASP A 100 14.315 1.787 -13.975 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.528 0.642 -13.509 1.00 0.00 O ATOM 1248 OD2 ASP A 100 14.969 2.265 -14.934 1.00 0.00 O ATOM 0 H ASP A 100 11.324 3.592 -12.217 1.00 0.00 H new ATOM 0 HA ASP A 100 13.290 1.699 -11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.225 2.234 -13.729 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.257 3.649 -13.775 1.00 0.00 H new ATOM 1253 N MET A 101 14.162 4.848 -11.309 1.00 0.00 N ATOM 1254 CA MET A 101 15.122 5.771 -10.684 1.00 0.00 C ATOM 1255 C MET A 101 15.063 5.732 -9.141 1.00 0.00 C ATOM 1256 O MET A 101 16.075 5.995 -8.495 1.00 0.00 O ATOM 1257 CB MET A 101 14.976 7.198 -11.260 1.00 0.00 C ATOM 1258 CG MET A 101 14.222 8.121 -10.303 1.00 0.00 C ATOM 1259 SD MET A 101 13.639 9.697 -10.938 1.00 0.00 S ATOM 1260 CE MET A 101 12.172 9.819 -9.882 1.00 0.00 C ATOM 0 H MET A 101 13.330 5.310 -11.677 1.00 0.00 H new ATOM 0 HA MET A 101 16.124 5.426 -10.941 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.964 7.612 -11.461 1.00 0.00 H new ATOM 0 HB3 MET A 101 14.449 7.153 -12.213 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.359 7.575 -9.922 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.872 8.324 -9.452 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.276 9.831 -10.503 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.135 8.962 -9.210 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.220 10.737 -9.297 1.00 0.00 H new ATOM 1270 N LEU A 102 13.904 5.429 -8.526 1.00 0.00 N ATOM 1271 CA LEU A 102 13.762 5.387 -7.071 1.00 0.00 C ATOM 1272 C LEU A 102 14.337 4.075 -6.547 1.00 0.00 C ATOM 1273 O LEU A 102 15.183 4.113 -5.669 1.00 0.00 O ATOM 1274 CB LEU A 102 12.288 5.571 -6.624 1.00 0.00 C ATOM 1275 CG LEU A 102 11.625 6.943 -6.873 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.230 6.977 -6.251 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.430 8.114 -6.315 1.00 0.00 C ATOM 0 H LEU A 102 13.045 5.208 -9.029 1.00 0.00 H new ATOM 0 HA LEU A 102 14.319 6.222 -6.646 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.688 4.813 -7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 102 12.234 5.362 -5.556 1.00 0.00 H new ATOM 0 HG LEU A 102 11.574 7.058 -7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.774 7.950 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.613 6.197 -6.698 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.306 6.808 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.908 9.047 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 102 12.544 7.996 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.414 8.136 -6.784 1.00 0.00 H new ATOM 1289 N ARG A 103 13.993 2.933 -7.149 1.00 0.00 N ATOM 1290 CA ARG A 103 14.266 1.580 -6.629 1.00 0.00 C ATOM 1291 C ARG A 103 15.705 1.282 -6.172 1.00 0.00 C ATOM 1292 O ARG A 103 15.907 0.531 -5.217 1.00 0.00 O ATOM 1293 CB ARG A 103 13.731 0.547 -7.624 1.00 0.00 C ATOM 1294 CG ARG A 103 14.516 0.412 -8.931 1.00 0.00 C ATOM 1295 CD ARG A 103 13.861 -0.675 -9.779 1.00 0.00 C ATOM 1296 NE ARG A 103 14.549 -0.820 -11.077 1.00 0.00 N ATOM 1297 CZ ARG A 103 15.510 -1.655 -11.417 1.00 0.00 C ATOM 1298 NH1 ARG A 103 15.993 -2.561 -10.613 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.000 -1.559 -12.615 1.00 0.00 N ATOM 0 H ARG A 103 13.500 2.919 -8.042 1.00 0.00 H new ATOM 0 HA ARG A 103 13.729 1.514 -5.683 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.710 -0.426 -7.133 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.700 0.804 -7.866 1.00 0.00 H new ATOM 0 HG2 ARG A 103 14.522 1.360 -9.469 1.00 0.00 H new ATOM 0 HG3 ARG A 103 15.555 0.156 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.885 -1.624 -9.243 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.812 -0.429 -9.945 1.00 0.00 H new ATOM 0 HE ARG A 103 14.237 -0.186 -11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.626 -2.650 -9.666 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.738 -3.181 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.640 -0.854 -13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 103 16.745 -2.189 -12.913 1.00 0.00 H new ATOM 1313 N LYS A 104 16.691 1.890 -6.843 1.00 0.00 N ATOM 1314 CA LYS A 104 18.138 1.784 -6.571 1.00 0.00 C ATOM 1315 C LYS A 104 18.762 2.912 -5.728 1.00 0.00 C ATOM 1316 O LYS A 104 19.864 2.740 -5.211 1.00 0.00 O ATOM 1317 CB LYS A 104 18.918 1.531 -7.880 1.00 0.00 C ATOM 1318 CG LYS A 104 18.363 2.079 -9.207 1.00 0.00 C ATOM 1319 CD LYS A 104 18.152 3.599 -9.229 1.00 0.00 C ATOM 1320 CE LYS A 104 19.402 4.454 -8.976 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.457 4.269 -10.017 1.00 0.00 N ATOM 0 H LYS A 104 16.495 2.503 -7.634 1.00 0.00 H new ATOM 0 HA LYS A 104 18.233 0.918 -5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.919 1.942 -7.749 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.028 0.452 -7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 104 19.047 1.808 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.412 1.590 -9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 104 17.737 3.875 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 104 17.404 3.853 -8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 104 19.115 5.505 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.815 4.203 -7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 21.275 4.871 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 20.755 3.273 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.077 4.534 -10.948 1.00 0.00 H new ATOM 1335 N ASN A 105 18.090 4.058 -5.587 1.00 0.00 N ATOM 1336 CA ASN A 105 18.540 5.194 -4.759 1.00 0.00 C ATOM 1337 C ASN A 105 17.787 5.268 -3.421 1.00 0.00 C ATOM 1338 O ASN A 105 18.387 5.500 -2.373 1.00 0.00 O ATOM 1339 CB ASN A 105 18.349 6.504 -5.545 1.00 0.00 C ATOM 1340 CG ASN A 105 19.509 6.847 -6.462 1.00 0.00 C ATOM 1341 OD1 ASN A 105 19.341 7.265 -7.594 1.00 0.00 O ATOM 1342 ND2 ASN A 105 20.726 6.680 -5.998 1.00 0.00 N ATOM 0 H ASN A 105 17.199 4.231 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 105 19.595 5.045 -4.528 1.00 0.00 H new ATOM 0 HB2 ASN A 105 17.439 6.430 -6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.203 7.322 -4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 105 21.530 6.900 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 105 20.867 6.330 -5.050 1.00 0.00 H new ATOM 1349 N LEU A 106 16.467 5.093 -3.482 1.00 0.00 N ATOM 1350 CA LEU A 106 15.528 5.131 -2.362 1.00 0.00 C ATOM 1351 C LEU A 106 14.940 3.734 -2.093 1.00 0.00 C ATOM 1352 O LEU A 106 14.224 3.165 -2.916 1.00 0.00 O ATOM 1353 CB LEU A 106 14.469 6.190 -2.709 1.00 0.00 C ATOM 1354 CG LEU A 106 13.220 6.212 -1.821 1.00 0.00 C ATOM 1355 CD1 LEU A 106 13.540 6.552 -0.364 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.226 7.253 -2.321 1.00 0.00 C ATOM 0 H LEU A 106 15.997 4.910 -4.368 1.00 0.00 H new ATOM 0 HA LEU A 106 16.017 5.410 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 106 14.939 7.172 -2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.154 6.034 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 106 12.801 5.207 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.620 6.554 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 106 14.225 5.808 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 106 14.003 7.537 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.346 7.254 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.691 8.239 -2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.929 7.012 -3.342 1.00 0.00 H new