USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1027 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: B 46 ASN :FLIP amide:sc= -3.23! C(o=-6.8!,f=-3.7!) USER MOD Set 1.2: B 48 GLN : amide:sc= -0.416 K(o=-3.7,f=-6.1!) USER MOD Set 2.1: A 27 LYS NZ :NH3+ -131:sc= -0.59 (180deg=-2.94!) USER MOD Set 2.2: B 43 THR OG1 : rot -150:sc= 0 USER MOD Set 3.1: A 69 ASN : amide:sc= -0.147 X(o=-0.75,f=-1.1) USER MOD Set 3.2: B 30 SER OG : rot 180:sc= -0.607 USER MOD Set 4.1: B 29 LYS NZ :NH3+ -153:sc= 0 (180deg=0) USER MOD Set 4.2: B 34 HIS : no HD1:sc= -4.42! C(o=-4.4!,f=-5.6!) USER MOD Set 5.1: A 46 ASN : amide:sc= -2.88! C(o=-3.1!,f=-2.9!) USER MOD Set 5.2: A 48 GLN : amide:sc= -0.259 X(o=-3.1,f=-2.7) USER MOD Set 6.1: A 43 THR OG1 : rot -170:sc= 0.144 USER MOD Set 6.2: B 27 LYS NZ :NH3+ -149:sc= -2.7! (180deg=-5.23!) USER MOD Set 7.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 34 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-5.8!) USER MOD Single : A 10 GLN : amide:sc=-0.00839 X(o=-0.0084,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.16) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.442 X(o=-0.44,f=-0.16) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.67! C(o=-2.7!,f=-4.4!) USER MOD Single : A 24 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.21) USER MOD Single : A 25 SER OG : rot 180:sc= -1.25 USER MOD Single : A 30 SER OG : rot -170:sc= -0.906 USER MOD Single : A 37 GLN : amide:sc= -0.416 K(o=-0.42,f=-3.7!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.22 K(o=-2.2,f=-3.3!) USER MOD Single : A 56 SER OG : rot 150:sc= -1.04 USER MOD Single : A 58 MET CE :methyl -170:sc= -0.914 (180deg=-1.33) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.384) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -149:sc= -5.4! (180deg=-9.32!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 GLN : amide:sc=-0.00391 X(o=-0.0039,f=0) USER MOD Single : B 13 GLN : amide:sc= -0.192 K(o=-0.19,f=-2!) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc=-0.00813 X(o=-0.0081,f=0) USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -2.01! C(o=-2!,f=-4.1!) USER MOD Single : B 24 GLN : amide:sc= -0.582 X(o=-0.58,f=-0.41) USER MOD Single : B 25 SER OG : rot 180:sc= -0.399 USER MOD Single : B 37 GLN : amide:sc= -0.0893 K(o=-0.089,f=-1.8!) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.7!) USER MOD Single : B 56 SER OG : rot -164:sc= -0.219 USER MOD Single : B 58 MET CE :methyl -149:sc= -0.718 (180deg=-2.49!) USER MOD Single : B 60 LYS NZ :NH3+ 155:sc= -0.0256 (180deg=-0.725) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -166:sc= -5.76! (180deg=-7.8!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -4.294 -15.931 -10.168 1.00 0.00 N ATOM 50 CA ARG A 8 -3.518 -16.296 -8.995 1.00 0.00 C ATOM 51 C ARG A 8 -2.957 -15.044 -8.319 1.00 0.00 C ATOM 52 O ARG A 8 -3.606 -14.000 -8.301 1.00 0.00 O ATOM 53 CB ARG A 8 -2.363 -17.228 -9.367 1.00 0.00 C ATOM 54 CG ARG A 8 -2.793 -18.235 -10.436 1.00 0.00 C ATOM 55 CD ARG A 8 -1.966 -19.519 -10.344 1.00 0.00 C ATOM 56 NE ARG A 8 -2.726 -20.560 -9.617 1.00 0.00 N ATOM 57 CZ ARG A 8 -2.278 -21.805 -9.401 1.00 0.00 C ATOM 58 NH1 ARG A 8 -1.072 -22.170 -9.855 1.00 0.00 N ATOM 59 NH2 ARG A 8 -3.037 -22.683 -8.731 1.00 0.00 N ATOM 0 HA ARG A 8 -4.183 -16.817 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.521 -16.641 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.019 -17.759 -8.479 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -3.850 -18.470 -10.315 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.676 -17.793 -11.425 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.715 -19.872 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.025 -19.319 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.649 -20.315 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.495 -21.501 -10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.731 -23.117 -9.691 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.955 -22.404 -8.386 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.696 -23.630 -8.567 1.00 0.00 H new ATOM 73 N CYS A 9 -1.756 -15.190 -7.779 1.00 0.00 N ATOM 74 CA CYS A 9 -1.100 -14.084 -7.103 1.00 0.00 C ATOM 75 C CYS A 9 -0.118 -13.438 -8.082 1.00 0.00 C ATOM 76 O CYS A 9 0.216 -14.024 -9.110 1.00 0.00 O ATOM 77 CB CYS A 9 -0.407 -14.538 -5.816 1.00 0.00 C ATOM 78 SG CYS A 9 -1.526 -14.789 -4.390 1.00 0.00 S ATOM 0 H CYS A 9 -1.220 -16.058 -7.796 1.00 0.00 H new ATOM 0 HA CYS A 9 -1.844 -13.349 -6.797 1.00 0.00 H new ATOM 0 HB2 CYS A 9 0.121 -15.471 -6.014 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.345 -13.797 -5.544 1.00 0.00 H new ATOM 83 N GLN A 10 0.317 -12.237 -7.728 1.00 0.00 N ATOM 84 CA GLN A 10 1.254 -11.505 -8.562 1.00 0.00 C ATOM 85 C GLN A 10 2.690 -11.760 -8.098 1.00 0.00 C ATOM 86 O GLN A 10 3.641 -11.298 -8.728 1.00 0.00 O ATOM 87 CB GLN A 10 0.936 -10.008 -8.561 1.00 0.00 C ATOM 88 CG GLN A 10 0.758 -9.485 -9.988 1.00 0.00 C ATOM 89 CD GLN A 10 1.567 -8.204 -10.207 1.00 0.00 C ATOM 90 OE1 GLN A 10 2.407 -8.114 -11.087 1.00 0.00 O ATOM 91 NE2 GLN A 10 1.267 -7.224 -9.360 1.00 0.00 N ATOM 0 H GLN A 10 0.037 -11.753 -6.875 1.00 0.00 H new ATOM 0 HA GLN A 10 1.154 -11.864 -9.586 1.00 0.00 H new ATOM 0 HB2 GLN A 10 0.027 -9.826 -7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.740 -9.462 -8.067 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.076 -10.246 -10.701 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.297 -9.290 -10.179 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.552 -7.367 -8.647 1.00 0.00 H new ATOM 0 HE22 GLN A 10 1.752 -6.329 -9.424 1.00 0.00 H new ATOM 100 N CYS A 11 2.802 -12.494 -7.001 1.00 0.00 N ATOM 101 CA CYS A 11 4.105 -12.816 -6.446 1.00 0.00 C ATOM 102 C CYS A 11 4.054 -14.244 -5.897 1.00 0.00 C ATOM 103 O CYS A 11 3.148 -14.590 -5.141 1.00 0.00 O ATOM 104 CB CYS A 11 4.529 -11.808 -5.376 1.00 0.00 C ATOM 105 SG CYS A 11 6.156 -11.022 -5.664 1.00 0.00 S ATOM 0 H CYS A 11 2.011 -12.875 -6.482 1.00 0.00 H new ATOM 0 HA CYS A 11 4.861 -12.755 -7.229 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.771 -11.028 -5.311 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.551 -12.312 -4.410 1.00 0.00 H new ATOM 110 N LEU A 12 5.039 -15.034 -6.299 1.00 0.00 N ATOM 111 CA LEU A 12 5.118 -16.416 -5.857 1.00 0.00 C ATOM 112 C LEU A 12 6.085 -16.514 -4.676 1.00 0.00 C ATOM 113 O LEU A 12 6.094 -17.513 -3.958 1.00 0.00 O ATOM 114 CB LEU A 12 5.480 -17.333 -7.027 1.00 0.00 C ATOM 115 CG LEU A 12 4.771 -17.042 -8.352 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.643 -17.450 -9.541 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.395 -17.708 -8.395 1.00 0.00 C ATOM 0 H LEU A 12 5.789 -14.743 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 12 4.146 -16.759 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.556 -17.271 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.261 -18.361 -6.738 1.00 0.00 H new ATOM 0 HG LEU A 12 4.610 -15.966 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.116 -17.233 -10.470 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.578 -16.891 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.857 -18.517 -9.486 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.913 -17.485 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.509 -18.787 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.781 -17.327 -7.579 1.00 0.00 H new ATOM 129 N GLN A 13 6.877 -15.465 -4.511 1.00 0.00 N ATOM 130 CA GLN A 13 7.846 -15.421 -3.430 1.00 0.00 C ATOM 131 C GLN A 13 7.745 -14.091 -2.680 1.00 0.00 C ATOM 132 O GLN A 13 7.082 -13.163 -3.142 1.00 0.00 O ATOM 133 CB GLN A 13 9.265 -15.647 -3.955 1.00 0.00 C ATOM 134 CG GLN A 13 10.072 -16.523 -2.995 1.00 0.00 C ATOM 135 CD GLN A 13 9.945 -18.002 -3.363 1.00 0.00 C ATOM 136 OE1 GLN A 13 8.861 -18.554 -3.457 1.00 0.00 O ATOM 137 NE2 GLN A 13 11.109 -18.612 -3.565 1.00 0.00 N ATOM 0 H GLN A 13 6.867 -14.638 -5.109 1.00 0.00 H new ATOM 0 HA GLN A 13 7.619 -16.228 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.222 -16.120 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.765 -14.687 -4.085 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.121 -16.227 -3.022 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.723 -16.367 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.981 -18.091 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.130 -19.601 -3.815 1.00 0.00 H new ATOM 146 N THR A 14 8.411 -14.040 -1.536 1.00 0.00 N ATOM 147 CA THR A 14 8.404 -12.840 -0.718 1.00 0.00 C ATOM 148 C THR A 14 9.670 -12.771 0.139 1.00 0.00 C ATOM 149 O THR A 14 10.383 -13.763 0.279 1.00 0.00 O ATOM 150 CB THR A 14 7.113 -12.834 0.103 1.00 0.00 C ATOM 151 OG1 THR A 14 6.895 -14.207 0.416 1.00 0.00 O ATOM 152 CG2 THR A 14 5.891 -12.443 -0.730 1.00 0.00 C ATOM 0 H THR A 14 8.960 -14.811 -1.156 1.00 0.00 H new ATOM 0 HA THR A 14 8.418 -11.941 -1.335 1.00 0.00 H new ATOM 0 HB THR A 14 7.218 -12.143 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.078 -14.295 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.002 -12.455 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.034 -11.442 -1.138 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.765 -13.153 -1.547 1.00 0.00 H new ATOM 160 N LEU A 15 9.909 -11.590 0.690 1.00 0.00 N ATOM 161 CA LEU A 15 11.076 -11.379 1.529 1.00 0.00 C ATOM 162 C LEU A 15 10.679 -11.539 2.998 1.00 0.00 C ATOM 163 O LEU A 15 9.521 -11.819 3.304 1.00 0.00 O ATOM 164 CB LEU A 15 11.728 -10.031 1.212 1.00 0.00 C ATOM 165 CG LEU A 15 12.366 -9.904 -0.173 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.611 -8.437 -0.531 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.644 -10.739 -0.267 1.00 0.00 C ATOM 0 H LEU A 15 9.314 -10.770 0.572 1.00 0.00 H new ATOM 0 HA LEU A 15 11.836 -12.132 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.973 -9.251 1.315 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.494 -9.835 1.962 1.00 0.00 H new ATOM 0 HG LEU A 15 11.667 -10.302 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.065 -8.375 -1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.663 -7.900 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.280 -7.990 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.077 -10.631 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.359 -10.395 0.480 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.408 -11.788 -0.086 1.00 0.00 H new ATOM 179 N GLN A 16 11.661 -11.354 3.868 1.00 0.00 N ATOM 180 CA GLN A 16 11.428 -11.474 5.297 1.00 0.00 C ATOM 181 C GLN A 16 11.526 -10.103 5.968 1.00 0.00 C ATOM 182 O GLN A 16 11.109 -9.937 7.113 1.00 0.00 O ATOM 183 CB GLN A 16 12.406 -12.465 5.930 1.00 0.00 C ATOM 184 CG GLN A 16 12.482 -12.268 7.446 1.00 0.00 C ATOM 185 CD GLN A 16 12.955 -13.546 8.142 1.00 0.00 C ATOM 186 OE1 GLN A 16 14.045 -14.043 7.911 1.00 0.00 O ATOM 187 NE2 GLN A 16 12.076 -14.049 9.004 1.00 0.00 N ATOM 0 H GLN A 16 12.620 -11.122 3.611 1.00 0.00 H new ATOM 0 HA GLN A 16 10.420 -11.860 5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.091 -13.485 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.396 -12.334 5.493 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.165 -11.450 7.676 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.502 -11.982 7.829 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.181 -13.583 9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.297 -14.901 9.519 1.00 0.00 H new ATOM 196 N GLY A 17 12.079 -9.154 5.226 1.00 0.00 N ATOM 197 CA GLY A 17 12.237 -7.803 5.735 1.00 0.00 C ATOM 198 C GLY A 17 13.586 -7.213 5.316 1.00 0.00 C ATOM 199 O GLY A 17 14.614 -7.516 5.921 1.00 0.00 O ATOM 0 H GLY A 17 12.423 -9.295 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.429 -7.173 5.362 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.161 -7.809 6.822 1.00 0.00 H new ATOM 203 N ILE A 18 13.538 -6.383 4.285 1.00 0.00 N ATOM 204 CA ILE A 18 14.744 -5.749 3.779 1.00 0.00 C ATOM 205 C ILE A 18 14.827 -4.319 4.318 1.00 0.00 C ATOM 206 O ILE A 18 13.836 -3.775 4.802 1.00 0.00 O ATOM 207 CB ILE A 18 14.793 -5.834 2.252 1.00 0.00 C ATOM 208 CG1 ILE A 18 15.154 -7.248 1.794 1.00 0.00 C ATOM 209 CG2 ILE A 18 15.745 -4.784 1.675 1.00 0.00 C ATOM 210 CD1 ILE A 18 15.481 -7.273 0.299 1.00 0.00 C ATOM 0 H ILE A 18 12.684 -6.135 3.786 1.00 0.00 H new ATOM 0 HA ILE A 18 15.630 -6.276 4.134 1.00 0.00 H new ATOM 0 HB ILE A 18 13.798 -5.614 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.010 -7.611 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.324 -7.924 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 18 15.761 -4.866 0.588 1.00 0.00 H new ATOM 0 HG22 ILE A 18 15.404 -3.788 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 18 16.749 -4.949 2.066 1.00 0.00 H new ATOM 0 HD11 ILE A 18 15.734 -8.290 -0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 18 14.615 -6.932 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.327 -6.615 0.101 1.00 0.00 H new ATOM 222 N HIS A 19 16.020 -3.751 4.217 1.00 0.00 N ATOM 223 CA HIS A 19 16.246 -2.396 4.688 1.00 0.00 C ATOM 224 C HIS A 19 15.225 -1.453 4.048 1.00 0.00 C ATOM 225 O HIS A 19 14.960 -1.540 2.850 1.00 0.00 O ATOM 226 CB HIS A 19 17.692 -1.965 4.432 1.00 0.00 C ATOM 227 CG HIS A 19 18.323 -1.217 5.582 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.672 -0.909 5.626 1.00 0.00 N ATOM 229 CD2 HIS A 19 17.777 -0.719 6.728 1.00 0.00 C ATOM 230 CE1 HIS A 19 19.915 -0.256 6.752 1.00 0.00 C ATOM 231 NE2 HIS A 19 18.739 -0.139 7.434 1.00 0.00 N ATOM 0 H HIS A 19 16.840 -4.205 3.816 1.00 0.00 H new ATOM 0 HA HIS A 19 16.101 -2.354 5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 19 18.291 -2.850 4.215 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.720 -1.335 3.543 1.00 0.00 H new ATOM 0 HD2 HIS A 19 16.737 -0.785 7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 19 20.875 0.118 7.074 1.00 0.00 H new ATOM 0 HE2 HIS A 19 18.619 0.319 8.338 1.00 0.00 H new ATOM 239 N LEU A 20 14.680 -0.574 4.876 1.00 0.00 N ATOM 240 CA LEU A 20 13.693 0.384 4.406 1.00 0.00 C ATOM 241 C LEU A 20 14.410 1.596 3.807 1.00 0.00 C ATOM 242 O LEU A 20 13.779 2.606 3.500 1.00 0.00 O ATOM 243 CB LEU A 20 12.717 0.742 5.528 1.00 0.00 C ATOM 244 CG LEU A 20 11.549 1.650 5.137 1.00 0.00 C ATOM 245 CD1 LEU A 20 10.685 0.998 4.056 1.00 0.00 C ATOM 246 CD2 LEU A 20 10.728 2.047 6.366 1.00 0.00 C ATOM 0 H LEU A 20 14.903 -0.505 5.869 1.00 0.00 H new ATOM 0 HA LEU A 20 13.086 -0.053 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.311 -0.183 5.938 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.276 1.227 6.328 1.00 0.00 H new ATOM 0 HG LEU A 20 11.957 2.567 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.862 1.664 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.292 0.809 3.170 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.285 0.056 4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.904 2.692 6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.330 1.151 6.842 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.364 2.581 7.072 1.00 0.00 H new ATOM 258 N LYS A 21 15.719 1.454 3.658 1.00 0.00 N ATOM 259 CA LYS A 21 16.529 2.524 3.100 1.00 0.00 C ATOM 260 C LYS A 21 16.472 2.459 1.573 1.00 0.00 C ATOM 261 O LYS A 21 16.843 3.414 0.892 1.00 0.00 O ATOM 262 CB LYS A 21 17.950 2.471 3.665 1.00 0.00 C ATOM 263 CG LYS A 21 18.943 3.146 2.717 1.00 0.00 C ATOM 264 CD LYS A 21 18.727 4.661 2.684 1.00 0.00 C ATOM 265 CE LYS A 21 19.819 5.353 1.866 1.00 0.00 C ATOM 266 NZ LYS A 21 19.383 5.525 0.462 1.00 0.00 N ATOM 0 H LYS A 21 16.239 0.614 3.914 1.00 0.00 H new ATOM 0 HA LYS A 21 16.130 3.495 3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 21 17.977 2.964 4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.243 1.433 3.825 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.962 2.927 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.829 2.737 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 21 17.750 4.883 2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.725 5.054 3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.049 6.325 2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 21 20.735 4.764 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 20.135 5.996 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.186 4.594 0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.521 6.106 0.435 1.00 0.00 H new ATOM 280 N ASN A 22 16.004 1.322 1.078 1.00 0.00 N ATOM 281 CA ASN A 22 15.893 1.119 -0.356 1.00 0.00 C ATOM 282 C ASN A 22 14.432 1.286 -0.779 1.00 0.00 C ATOM 283 O ASN A 22 14.146 1.908 -1.802 1.00 0.00 O ATOM 284 CB ASN A 22 16.341 -0.290 -0.750 1.00 0.00 C ATOM 285 CG ASN A 22 17.794 -0.290 -1.227 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.148 0.318 -2.224 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.615 -1.004 -0.462 1.00 0.00 N ATOM 0 H ASN A 22 15.697 0.532 1.645 1.00 0.00 H new ATOM 0 HA ASN A 22 16.531 1.851 -0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.234 -0.961 0.102 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.695 -0.673 -1.540 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.606 -1.066 -0.697 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.254 -1.489 0.359 1.00 0.00 H new ATOM 294 N ILE A 23 13.547 0.721 0.028 1.00 0.00 N ATOM 295 CA ILE A 23 12.123 0.800 -0.250 1.00 0.00 C ATOM 296 C ILE A 23 11.723 2.266 -0.427 1.00 0.00 C ATOM 297 O ILE A 23 12.066 3.111 0.398 1.00 0.00 O ATOM 298 CB ILE A 23 11.325 0.071 0.833 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.211 -1.422 0.519 1.00 0.00 C ATOM 300 CG2 ILE A 23 9.954 0.720 1.034 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.485 -2.267 1.764 1.00 0.00 C ATOM 0 H ILE A 23 13.788 0.206 0.875 1.00 0.00 H new ATOM 0 HA ILE A 23 11.888 0.290 -1.184 1.00 0.00 H new ATOM 0 HB ILE A 23 11.866 0.162 1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.214 -1.642 0.138 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.918 -1.687 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.407 0.183 1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.084 1.759 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.393 0.681 0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.397 -3.324 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.492 -2.063 2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.761 -2.017 2.540 1.00 0.00 H new ATOM 313 N GLN A 24 11.002 2.523 -1.508 1.00 0.00 N ATOM 314 CA GLN A 24 10.551 3.872 -1.804 1.00 0.00 C ATOM 315 C GLN A 24 9.025 3.952 -1.722 1.00 0.00 C ATOM 316 O GLN A 24 8.468 5.022 -1.480 1.00 0.00 O ATOM 317 CB GLN A 24 11.050 4.328 -3.176 1.00 0.00 C ATOM 318 CG GLN A 24 11.549 5.774 -3.125 1.00 0.00 C ATOM 319 CD GLN A 24 10.383 6.751 -2.963 1.00 0.00 C ATOM 320 OE1 GLN A 24 10.345 7.567 -2.058 1.00 0.00 O ATOM 321 NE2 GLN A 24 9.437 6.622 -3.889 1.00 0.00 N ATOM 0 H GLN A 24 10.719 1.819 -2.190 1.00 0.00 H new ATOM 0 HA GLN A 24 10.971 4.546 -1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.855 3.673 -3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.245 4.243 -3.906 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.246 5.893 -2.295 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.098 6.005 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 24 9.532 5.917 -4.620 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.617 7.228 -3.868 1.00 0.00 H new ATOM 330 N SER A 25 8.393 2.806 -1.926 1.00 0.00 N ATOM 331 CA SER A 25 6.942 2.733 -1.878 1.00 0.00 C ATOM 332 C SER A 25 6.503 1.337 -1.429 1.00 0.00 C ATOM 333 O SER A 25 7.300 0.400 -1.437 1.00 0.00 O ATOM 334 CB SER A 25 6.328 3.071 -3.238 1.00 0.00 C ATOM 335 OG SER A 25 7.323 3.364 -4.215 1.00 0.00 O ATOM 0 H SER A 25 8.858 1.920 -2.125 1.00 0.00 H new ATOM 0 HA SER A 25 6.586 3.469 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.720 2.233 -3.580 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.661 3.927 -3.132 1.00 0.00 H new ATOM 0 HG SER A 25 6.891 3.573 -5.069 1.00 0.00 H new ATOM 341 N VAL A 26 5.238 1.244 -1.050 1.00 0.00 N ATOM 342 CA VAL A 26 4.683 -0.022 -0.599 1.00 0.00 C ATOM 343 C VAL A 26 3.369 -0.289 -1.335 1.00 0.00 C ATOM 344 O VAL A 26 2.533 0.604 -1.463 1.00 0.00 O ATOM 345 CB VAL A 26 4.525 -0.011 0.923 1.00 0.00 C ATOM 346 CG1 VAL A 26 3.616 -1.151 1.388 1.00 0.00 C ATOM 347 CG2 VAL A 26 5.887 -0.078 1.616 1.00 0.00 C ATOM 0 H VAL A 26 4.581 2.024 -1.045 1.00 0.00 H new ATOM 0 HA VAL A 26 5.360 -0.842 -0.836 1.00 0.00 H new ATOM 0 HB VAL A 26 4.052 0.930 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.520 -1.121 2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.631 -1.040 0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.048 -2.106 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.746 -0.069 2.697 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.399 -0.995 1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.488 0.782 1.321 1.00 0.00 H new ATOM 357 N LYS A 27 3.227 -1.522 -1.799 1.00 0.00 N ATOM 358 CA LYS A 27 2.029 -1.918 -2.518 1.00 0.00 C ATOM 359 C LYS A 27 1.456 -3.188 -1.887 1.00 0.00 C ATOM 360 O LYS A 27 2.125 -4.219 -1.843 1.00 0.00 O ATOM 361 CB LYS A 27 2.322 -2.052 -4.014 1.00 0.00 C ATOM 362 CG LYS A 27 1.048 -2.383 -4.795 1.00 0.00 C ATOM 363 CD LYS A 27 -0.147 -1.595 -4.254 1.00 0.00 C ATOM 364 CE LYS A 27 -1.247 -1.473 -5.310 1.00 0.00 C ATOM 365 NZ LYS A 27 -0.737 -0.774 -6.511 1.00 0.00 N ATOM 0 H LYS A 27 3.923 -2.260 -1.691 1.00 0.00 H new ATOM 0 HA LYS A 27 1.263 -1.147 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.751 -1.123 -4.389 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.064 -2.834 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.193 -2.151 -5.850 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.844 -3.452 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.543 -2.091 -3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.178 -0.601 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.607 -2.464 -5.585 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.096 -0.928 -4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.400 -0.020 -6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.193 -0.358 -6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.645 -1.452 -7.294 1.00 0.00 H new ATOM 379 N VAL A 28 0.224 -3.072 -1.414 1.00 0.00 N ATOM 380 CA VAL A 28 -0.446 -4.199 -0.787 1.00 0.00 C ATOM 381 C VAL A 28 -1.604 -4.658 -1.677 1.00 0.00 C ATOM 382 O VAL A 28 -2.577 -3.928 -1.861 1.00 0.00 O ATOM 383 CB VAL A 28 -0.893 -3.821 0.627 1.00 0.00 C ATOM 384 CG1 VAL A 28 -1.740 -4.933 1.249 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.311 -3.489 1.511 1.00 0.00 C ATOM 0 H VAL A 28 -0.328 -2.215 -1.452 1.00 0.00 H new ATOM 0 HA VAL A 28 0.238 -5.041 -0.684 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.513 -2.927 0.556 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.045 -4.640 2.254 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.625 -5.102 0.636 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.154 -5.851 1.301 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.034 -3.224 2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.968 -4.357 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.858 -2.650 1.081 1.00 0.00 H new ATOM 395 N LYS A 29 -1.459 -5.864 -2.205 1.00 0.00 N ATOM 396 CA LYS A 29 -2.481 -6.429 -3.071 1.00 0.00 C ATOM 397 C LYS A 29 -3.201 -7.559 -2.333 1.00 0.00 C ATOM 398 O LYS A 29 -2.880 -8.732 -2.522 1.00 0.00 O ATOM 399 CB LYS A 29 -1.873 -6.857 -4.408 1.00 0.00 C ATOM 400 CG LYS A 29 -2.952 -6.987 -5.485 1.00 0.00 C ATOM 401 CD LYS A 29 -3.703 -8.313 -5.351 1.00 0.00 C ATOM 402 CE LYS A 29 -3.890 -8.977 -6.716 1.00 0.00 C ATOM 403 NZ LYS A 29 -4.054 -10.440 -6.563 1.00 0.00 N ATOM 0 H LYS A 29 -0.650 -6.466 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.232 -5.678 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.127 -6.127 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.357 -7.810 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.654 -6.157 -5.403 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.495 -6.922 -6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.152 -8.982 -4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.676 -8.139 -4.891 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.764 -8.557 -7.214 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.029 -8.766 -7.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.180 -10.875 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.208 -10.838 -6.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.889 -10.636 -5.975 1.00 0.00 H new ATOM 417 N SER A 30 -4.160 -7.167 -1.507 1.00 0.00 N ATOM 418 CA SER A 30 -4.928 -8.133 -0.740 1.00 0.00 C ATOM 419 C SER A 30 -5.387 -9.276 -1.647 1.00 0.00 C ATOM 420 O SER A 30 -5.214 -9.216 -2.864 1.00 0.00 O ATOM 421 CB SER A 30 -6.134 -7.471 -0.071 1.00 0.00 C ATOM 422 OG SER A 30 -7.368 -7.974 -0.575 1.00 0.00 O ATOM 0 H SER A 30 -4.423 -6.194 -1.352 1.00 0.00 H new ATOM 0 HA SER A 30 -4.286 -8.535 0.044 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.088 -7.637 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.090 -6.393 -0.230 1.00 0.00 H new ATOM 0 HG SER A 30 -8.106 -7.422 -0.243 1.00 0.00 H new ATOM 428 N PRO A 31 -5.977 -10.319 -1.004 1.00 0.00 N ATOM 429 CA PRO A 31 -6.461 -11.475 -1.740 1.00 0.00 C ATOM 430 C PRO A 31 -7.761 -11.150 -2.478 1.00 0.00 C ATOM 431 O PRO A 31 -8.397 -10.133 -2.204 1.00 0.00 O ATOM 432 CB PRO A 31 -6.629 -12.565 -0.694 1.00 0.00 C ATOM 433 CG PRO A 31 -6.679 -11.852 0.647 1.00 0.00 C ATOM 434 CD PRO A 31 -6.198 -10.426 0.435 1.00 0.00 C ATOM 0 HA PRO A 31 -5.772 -11.794 -2.522 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.542 -13.135 -0.867 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.800 -13.272 -0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.694 -11.857 1.045 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.049 -12.363 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.939 -9.703 0.777 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.282 -10.230 0.992 1.00 0.00 H new ATOM 442 N GLY A 32 -8.118 -12.032 -3.400 1.00 0.00 N ATOM 443 CA GLY A 32 -9.330 -11.851 -4.179 1.00 0.00 C ATOM 444 C GLY A 32 -10.042 -13.187 -4.403 1.00 0.00 C ATOM 445 O GLY A 32 -9.798 -14.153 -3.683 1.00 0.00 O ATOM 0 H GLY A 32 -7.588 -12.874 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.998 -11.161 -3.664 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.085 -11.400 -5.140 1.00 0.00 H new ATOM 449 N PRO A 33 -10.931 -13.199 -5.432 1.00 0.00 N ATOM 450 CA PRO A 33 -11.680 -14.400 -5.761 1.00 0.00 C ATOM 451 C PRO A 33 -10.792 -15.423 -6.471 1.00 0.00 C ATOM 452 O PRO A 33 -11.258 -16.495 -6.854 1.00 0.00 O ATOM 453 CB PRO A 33 -12.838 -13.919 -6.621 1.00 0.00 C ATOM 454 CG PRO A 33 -12.437 -12.543 -7.127 1.00 0.00 C ATOM 455 CD PRO A 33 -11.246 -12.073 -6.307 1.00 0.00 C ATOM 0 HA PRO A 33 -12.048 -14.921 -4.877 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -13.019 -14.603 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.760 -13.869 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.179 -12.586 -8.185 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.267 -11.844 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.400 -11.820 -6.946 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.489 -11.180 -5.731 1.00 0.00 H new ATOM 463 N HIS A 34 -9.529 -15.055 -6.626 1.00 0.00 N ATOM 464 CA HIS A 34 -8.571 -15.928 -7.284 1.00 0.00 C ATOM 465 C HIS A 34 -7.504 -16.368 -6.280 1.00 0.00 C ATOM 466 O HIS A 34 -7.251 -17.561 -6.120 1.00 0.00 O ATOM 467 CB HIS A 34 -7.978 -15.249 -8.521 1.00 0.00 C ATOM 468 CG HIS A 34 -7.827 -13.752 -8.387 1.00 0.00 C ATOM 469 ND1 HIS A 34 -8.909 -12.898 -8.268 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.711 -12.968 -8.354 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.453 -11.658 -8.169 1.00 0.00 C ATOM 472 NE2 HIS A 34 -7.091 -11.703 -8.223 1.00 0.00 N ATOM 0 H HIS A 34 -9.147 -14.165 -6.308 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.076 -16.826 -7.641 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.001 -15.685 -8.729 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.613 -15.464 -9.380 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.691 -13.317 -8.423 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.055 -10.767 -8.064 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.467 -10.898 -8.171 1.00 0.00 H new ATOM 480 N CYS A 35 -6.905 -15.381 -5.630 1.00 0.00 N ATOM 481 CA CYS A 35 -5.871 -15.651 -4.646 1.00 0.00 C ATOM 482 C CYS A 35 -6.418 -15.290 -3.263 1.00 0.00 C ATOM 483 O CYS A 35 -6.820 -14.151 -3.029 1.00 0.00 O ATOM 484 CB CYS A 35 -4.578 -14.898 -4.963 1.00 0.00 C ATOM 485 SG CYS A 35 -3.089 -15.954 -5.099 1.00 0.00 S ATOM 0 H CYS A 35 -7.116 -14.392 -5.766 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.612 -16.710 -4.668 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.709 -14.357 -5.900 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.408 -14.153 -4.186 1.00 0.00 H new ATOM 490 N ALA A 36 -6.414 -16.280 -2.383 1.00 0.00 N ATOM 491 CA ALA A 36 -6.905 -16.081 -1.030 1.00 0.00 C ATOM 492 C ALA A 36 -5.726 -15.764 -0.107 1.00 0.00 C ATOM 493 O ALA A 36 -5.802 -15.987 1.101 1.00 0.00 O ATOM 494 CB ALA A 36 -7.681 -17.320 -0.580 1.00 0.00 C ATOM 0 H ALA A 36 -6.078 -17.223 -2.580 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.592 -15.235 -0.991 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.049 -17.170 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.524 -17.485 -1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.024 -18.189 -0.603 1.00 0.00 H new ATOM 500 N GLN A 37 -4.665 -15.250 -0.710 1.00 0.00 N ATOM 501 CA GLN A 37 -3.472 -14.901 0.043 1.00 0.00 C ATOM 502 C GLN A 37 -3.050 -13.463 -0.268 1.00 0.00 C ATOM 503 O GLN A 37 -3.399 -12.923 -1.317 1.00 0.00 O ATOM 504 CB GLN A 37 -2.334 -15.881 -0.247 1.00 0.00 C ATOM 505 CG GLN A 37 -2.845 -17.323 -0.268 1.00 0.00 C ATOM 506 CD GLN A 37 -2.554 -17.988 -1.615 1.00 0.00 C ATOM 507 OE1 GLN A 37 -1.997 -17.393 -2.523 1.00 0.00 O ATOM 508 NE2 GLN A 37 -2.961 -19.252 -1.693 1.00 0.00 N ATOM 0 H GLN A 37 -4.606 -15.067 -1.712 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.704 -14.969 1.106 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.877 -15.639 -1.206 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.558 -15.777 0.511 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.372 -17.892 0.532 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.918 -17.335 -0.077 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.421 -19.690 -0.895 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.813 -19.783 -2.551 1.00 0.00 H new ATOM 517 N THR A 38 -2.304 -12.885 0.662 1.00 0.00 N ATOM 518 CA THR A 38 -1.831 -11.521 0.500 1.00 0.00 C ATOM 519 C THR A 38 -0.603 -11.487 -0.411 1.00 0.00 C ATOM 520 O THR A 38 0.006 -12.522 -0.677 1.00 0.00 O ATOM 521 CB THR A 38 -1.570 -10.942 1.893 1.00 0.00 C ATOM 522 OG1 THR A 38 -2.811 -11.104 2.574 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.353 -9.428 1.867 1.00 0.00 C ATOM 0 H THR A 38 -2.016 -13.336 1.530 1.00 0.00 H new ATOM 0 HA THR A 38 -2.579 -10.899 0.008 1.00 0.00 H new ATOM 0 HB THR A 38 -0.696 -11.426 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.731 -10.756 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.172 -9.069 2.880 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.492 -9.195 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.240 -8.940 1.462 1.00 0.00 H new ATOM 531 N GLU A 39 -0.275 -10.286 -0.866 1.00 0.00 N ATOM 532 CA GLU A 39 0.869 -10.104 -1.742 1.00 0.00 C ATOM 533 C GLU A 39 1.421 -8.684 -1.606 1.00 0.00 C ATOM 534 O GLU A 39 1.097 -7.808 -2.406 1.00 0.00 O ATOM 535 CB GLU A 39 0.502 -10.413 -3.195 1.00 0.00 C ATOM 536 CG GLU A 39 1.586 -11.258 -3.867 1.00 0.00 C ATOM 537 CD GLU A 39 1.640 -12.662 -3.263 1.00 0.00 C ATOM 538 OE1 GLU A 39 0.577 -13.320 -3.260 1.00 0.00 O ATOM 539 OE2 GLU A 39 2.743 -13.047 -2.817 1.00 0.00 O ATOM 0 H GLU A 39 -0.782 -9.429 -0.644 1.00 0.00 H new ATOM 0 HA GLU A 39 1.647 -10.806 -1.441 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.450 -10.943 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.368 -9.482 -3.746 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.388 -11.326 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.555 -10.771 -3.752 1.00 0.00 H new ATOM 546 N VAL A 40 2.247 -8.500 -0.586 1.00 0.00 N ATOM 547 CA VAL A 40 2.847 -7.200 -0.334 1.00 0.00 C ATOM 548 C VAL A 40 4.029 -6.997 -1.284 1.00 0.00 C ATOM 549 O VAL A 40 4.931 -7.831 -1.346 1.00 0.00 O ATOM 550 CB VAL A 40 3.238 -7.081 1.140 1.00 0.00 C ATOM 551 CG1 VAL A 40 3.861 -5.715 1.433 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.035 -7.341 2.049 1.00 0.00 C ATOM 0 H VAL A 40 2.515 -9.229 0.075 1.00 0.00 H new ATOM 0 HA VAL A 40 2.130 -6.403 -0.531 1.00 0.00 H new ATOM 0 HB VAL A 40 3.988 -7.844 1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.130 -5.656 2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.755 -5.584 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.143 -4.930 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.340 -7.250 3.091 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.253 -6.612 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.653 -8.346 1.869 1.00 0.00 H new ATOM 562 N ILE A 41 3.986 -5.884 -2.002 1.00 0.00 N ATOM 563 CA ILE A 41 5.043 -5.561 -2.945 1.00 0.00 C ATOM 564 C ILE A 41 5.528 -4.132 -2.692 1.00 0.00 C ATOM 565 O ILE A 41 4.775 -3.176 -2.870 1.00 0.00 O ATOM 566 CB ILE A 41 4.572 -5.804 -4.381 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.930 -7.186 -4.520 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.717 -5.601 -5.375 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.453 -7.069 -4.902 1.00 0.00 C ATOM 0 H ILE A 41 3.236 -5.195 -1.950 1.00 0.00 H new ATOM 0 HA ILE A 41 5.899 -6.220 -2.798 1.00 0.00 H new ATOM 0 HB ILE A 41 3.805 -5.067 -4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.461 -7.763 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.024 -7.731 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.356 -5.780 -6.388 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.089 -4.579 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.523 -6.299 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.021 -8.065 -4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.921 -6.513 -4.130 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.364 -6.545 -5.854 1.00 0.00 H new ATOM 581 N ALA A 42 6.783 -4.032 -2.279 1.00 0.00 N ATOM 582 CA ALA A 42 7.378 -2.736 -1.999 1.00 0.00 C ATOM 583 C ALA A 42 8.259 -2.319 -3.178 1.00 0.00 C ATOM 584 O ALA A 42 9.032 -3.123 -3.695 1.00 0.00 O ATOM 585 CB ALA A 42 8.157 -2.805 -0.684 1.00 0.00 C ATOM 0 H ALA A 42 7.404 -4.827 -2.131 1.00 0.00 H new ATOM 0 HA ALA A 42 6.605 -1.976 -1.880 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.603 -1.833 -0.474 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.480 -3.076 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.943 -3.555 -0.766 1.00 0.00 H new ATOM 591 N THR A 43 8.113 -1.061 -3.569 1.00 0.00 N ATOM 592 CA THR A 43 8.886 -0.527 -4.677 1.00 0.00 C ATOM 593 C THR A 43 10.239 -0.009 -4.183 1.00 0.00 C ATOM 594 O THR A 43 10.320 0.613 -3.125 1.00 0.00 O ATOM 595 CB THR A 43 8.042 0.544 -5.370 1.00 0.00 C ATOM 596 OG1 THR A 43 7.048 -0.197 -6.072 1.00 0.00 O ATOM 597 CG2 THR A 43 8.811 1.274 -6.473 1.00 0.00 C ATOM 0 H THR A 43 7.471 -0.396 -3.138 1.00 0.00 H new ATOM 0 HA THR A 43 9.117 -1.302 -5.408 1.00 0.00 H new ATOM 0 HB THR A 43 7.695 1.266 -4.631 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.557 0.402 -6.672 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.166 2.023 -6.932 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.686 1.762 -6.044 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.130 0.557 -7.230 1.00 0.00 H new ATOM 605 N LEU A 44 11.266 -0.286 -4.972 1.00 0.00 N ATOM 606 CA LEU A 44 12.611 0.144 -4.629 1.00 0.00 C ATOM 607 C LEU A 44 12.835 1.566 -5.146 1.00 0.00 C ATOM 608 O LEU A 44 12.248 1.965 -6.151 1.00 0.00 O ATOM 609 CB LEU A 44 13.642 -0.865 -5.138 1.00 0.00 C ATOM 610 CG LEU A 44 14.704 -1.307 -4.128 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.376 -2.607 -4.572 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.721 -0.192 -3.878 1.00 0.00 C ATOM 0 H LEU A 44 11.194 -0.803 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 44 12.737 0.175 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.112 -1.750 -5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.148 -0.433 -6.002 1.00 0.00 H new ATOM 0 HG LEU A 44 14.209 -1.509 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.126 -2.898 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.626 -3.394 -4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.855 -2.457 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.464 -0.532 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.216 0.066 -4.814 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.209 0.686 -3.484 1.00 0.00 H new ATOM 624 N LYS A 45 13.684 2.293 -4.435 1.00 0.00 N ATOM 625 CA LYS A 45 13.993 3.663 -4.810 1.00 0.00 C ATOM 626 C LYS A 45 14.904 3.658 -6.039 1.00 0.00 C ATOM 627 O LYS A 45 15.222 4.713 -6.585 1.00 0.00 O ATOM 628 CB LYS A 45 14.573 4.427 -3.618 1.00 0.00 C ATOM 629 CG LYS A 45 14.697 5.919 -3.931 1.00 0.00 C ATOM 630 CD LYS A 45 16.109 6.262 -4.412 1.00 0.00 C ATOM 631 CE LYS A 45 16.752 7.320 -3.513 1.00 0.00 C ATOM 632 NZ LYS A 45 17.124 6.732 -2.206 1.00 0.00 N ATOM 0 H LYS A 45 14.168 1.960 -3.601 1.00 0.00 H new ATOM 0 HA LYS A 45 13.084 4.196 -5.089 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.934 4.287 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.553 4.022 -3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 45 13.971 6.196 -4.696 1.00 0.00 H new ATOM 0 HG3 LYS A 45 14.460 6.502 -3.041 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.724 5.362 -4.418 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.069 6.627 -5.438 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.637 7.730 -3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 45 16.059 8.148 -3.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.559 7.463 -1.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.273 6.362 -1.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.802 5.957 -2.354 1.00 0.00 H new ATOM 646 N ASN A 46 15.298 2.458 -6.439 1.00 0.00 N ATOM 647 CA ASN A 46 16.166 2.302 -7.594 1.00 0.00 C ATOM 648 C ASN A 46 15.321 1.937 -8.816 1.00 0.00 C ATOM 649 O ASN A 46 15.825 1.912 -9.938 1.00 0.00 O ATOM 650 CB ASN A 46 17.183 1.180 -7.371 1.00 0.00 C ATOM 651 CG ASN A 46 17.386 0.362 -8.648 1.00 0.00 C ATOM 652 OD1 ASN A 46 17.878 0.846 -9.654 1.00 0.00 O ATOM 653 ND2 ASN A 46 16.981 -0.901 -8.552 1.00 0.00 N ATOM 0 H ASN A 46 15.032 1.585 -5.984 1.00 0.00 H new ATOM 0 HA ASN A 46 16.694 3.243 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.135 1.605 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 46 16.840 0.528 -6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.074 -1.528 -9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.577 -1.242 -7.680 1.00 0.00 H new ATOM 660 N GLY A 47 14.050 1.665 -8.558 1.00 0.00 N ATOM 661 CA GLY A 47 13.131 1.303 -9.623 1.00 0.00 C ATOM 662 C GLY A 47 12.736 -0.172 -9.529 1.00 0.00 C ATOM 663 O GLY A 47 11.807 -0.614 -10.204 1.00 0.00 O ATOM 0 H GLY A 47 13.635 1.688 -7.626 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.239 1.926 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.595 1.498 -10.590 1.00 0.00 H new ATOM 667 N GLN A 48 13.462 -0.894 -8.688 1.00 0.00 N ATOM 668 CA GLN A 48 13.200 -2.310 -8.497 1.00 0.00 C ATOM 669 C GLN A 48 12.043 -2.508 -7.515 1.00 0.00 C ATOM 670 O GLN A 48 11.407 -1.542 -7.096 1.00 0.00 O ATOM 671 CB GLN A 48 14.456 -3.041 -8.020 1.00 0.00 C ATOM 672 CG GLN A 48 15.299 -3.513 -9.206 1.00 0.00 C ATOM 673 CD GLN A 48 16.563 -4.232 -8.729 1.00 0.00 C ATOM 674 OE1 GLN A 48 16.535 -5.068 -7.841 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.670 -3.859 -9.365 1.00 0.00 N ATOM 0 H GLN A 48 14.232 -0.524 -8.131 1.00 0.00 H new ATOM 0 HA GLN A 48 12.913 -2.739 -9.457 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.049 -2.379 -7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.173 -3.897 -7.407 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.710 -4.183 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.574 -2.658 -9.824 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.623 -3.153 -10.100 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.566 -4.279 -9.118 1.00 0.00 H new ATOM 684 N LYS A 49 11.807 -3.767 -7.175 1.00 0.00 N ATOM 685 CA LYS A 49 10.739 -4.104 -6.250 1.00 0.00 C ATOM 686 C LYS A 49 11.153 -5.322 -5.422 1.00 0.00 C ATOM 687 O LYS A 49 11.834 -6.215 -5.923 1.00 0.00 O ATOM 688 CB LYS A 49 9.419 -4.290 -7.000 1.00 0.00 C ATOM 689 CG LYS A 49 9.093 -3.061 -7.851 1.00 0.00 C ATOM 690 CD LYS A 49 7.762 -3.239 -8.585 1.00 0.00 C ATOM 691 CE LYS A 49 7.898 -2.870 -10.063 1.00 0.00 C ATOM 692 NZ LYS A 49 8.354 -4.039 -10.849 1.00 0.00 N ATOM 0 H LYS A 49 12.337 -4.566 -7.524 1.00 0.00 H new ATOM 0 HA LYS A 49 10.568 -3.286 -5.551 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.480 -5.172 -7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.614 -4.467 -6.287 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.047 -2.176 -7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.891 -2.893 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.428 -4.272 -8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.999 -2.615 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.940 -2.518 -10.446 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.607 -2.050 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.441 -3.771 -11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.278 -4.357 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.663 -4.811 -10.756 1.00 0.00 H new ATOM 706 N ALA A 50 10.723 -5.319 -4.168 1.00 0.00 N ATOM 707 CA ALA A 50 11.041 -6.413 -3.266 1.00 0.00 C ATOM 708 C ALA A 50 9.760 -6.890 -2.579 1.00 0.00 C ATOM 709 O ALA A 50 9.199 -6.182 -1.743 1.00 0.00 O ATOM 710 CB ALA A 50 12.104 -5.957 -2.265 1.00 0.00 C ATOM 0 H ALA A 50 10.158 -4.577 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 50 11.454 -7.258 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.342 -6.778 -1.588 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.004 -5.656 -2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.724 -5.112 -1.691 1.00 0.00 H new ATOM 716 N CYS A 51 9.334 -8.086 -2.956 1.00 0.00 N ATOM 717 CA CYS A 51 8.129 -8.666 -2.387 1.00 0.00 C ATOM 718 C CYS A 51 8.399 -8.986 -0.915 1.00 0.00 C ATOM 719 O CYS A 51 9.459 -9.510 -0.574 1.00 0.00 O ATOM 720 CB CYS A 51 7.674 -9.902 -3.165 1.00 0.00 C ATOM 721 SG CYS A 51 6.289 -9.612 -4.325 1.00 0.00 S ATOM 0 H CYS A 51 9.802 -8.670 -3.649 1.00 0.00 H new ATOM 0 HA CYS A 51 7.310 -7.951 -2.458 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.523 -10.294 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.378 -10.673 -2.454 1.00 0.00 H new ATOM 726 N LEU A 52 7.423 -8.657 -0.083 1.00 0.00 N ATOM 727 CA LEU A 52 7.542 -8.902 1.345 1.00 0.00 C ATOM 728 C LEU A 52 6.552 -9.995 1.754 1.00 0.00 C ATOM 729 O LEU A 52 5.647 -10.335 0.993 1.00 0.00 O ATOM 730 CB LEU A 52 7.378 -7.599 2.128 1.00 0.00 C ATOM 731 CG LEU A 52 8.375 -6.487 1.796 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.864 -5.129 2.282 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.762 -6.810 2.354 1.00 0.00 C ATOM 0 H LEU A 52 6.546 -8.223 -0.370 1.00 0.00 H new ATOM 0 HA LEU A 52 8.540 -9.268 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.371 -7.220 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.457 -7.825 3.191 1.00 0.00 H new ATOM 0 HG LEU A 52 8.470 -6.426 0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.592 -4.356 2.033 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.914 -4.903 1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.722 -5.159 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.452 -6.004 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.703 -6.914 3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.121 -7.743 1.919 1.00 0.00 H new ATOM 745 N ASN A 53 6.756 -10.514 2.956 1.00 0.00 N ATOM 746 CA ASN A 53 5.893 -11.560 3.476 1.00 0.00 C ATOM 747 C ASN A 53 4.892 -10.949 4.458 1.00 0.00 C ATOM 748 O ASN A 53 5.285 -10.344 5.454 1.00 0.00 O ATOM 749 CB ASN A 53 6.702 -12.621 4.225 1.00 0.00 C ATOM 750 CG ASN A 53 5.882 -13.897 4.423 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.062 -14.273 3.602 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.149 -14.541 5.556 1.00 0.00 N ATOM 0 H ASN A 53 7.507 -10.229 3.585 1.00 0.00 H new ATOM 0 HA ASN A 53 5.382 -12.025 2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.610 -12.851 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.012 -12.230 5.194 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.655 -15.405 5.780 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.848 -14.171 6.200 1.00 0.00 H new ATOM 759 N PRO A 54 3.583 -11.132 4.134 1.00 0.00 N ATOM 760 CA PRO A 54 2.523 -10.606 4.977 1.00 0.00 C ATOM 761 C PRO A 54 2.363 -11.445 6.246 1.00 0.00 C ATOM 762 O PRO A 54 1.505 -11.159 7.080 1.00 0.00 O ATOM 763 CB PRO A 54 1.283 -10.614 4.099 1.00 0.00 C ATOM 764 CG PRO A 54 1.586 -11.571 2.958 1.00 0.00 C ATOM 765 CD PRO A 54 3.081 -11.844 2.963 1.00 0.00 C ATOM 0 HA PRO A 54 2.733 -9.599 5.338 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.408 -10.941 4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.064 -9.615 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.028 -12.499 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.280 -11.138 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.288 -12.912 3.030 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.552 -11.484 2.048 1.00 0.00 H new ATOM 773 N ALA A 55 3.202 -12.465 6.352 1.00 0.00 N ATOM 774 CA ALA A 55 3.165 -13.348 7.506 1.00 0.00 C ATOM 775 C ALA A 55 4.369 -13.059 8.403 1.00 0.00 C ATOM 776 O ALA A 55 4.663 -13.825 9.320 1.00 0.00 O ATOM 777 CB ALA A 55 3.125 -14.803 7.034 1.00 0.00 C ATOM 0 H ALA A 55 3.912 -12.700 5.658 1.00 0.00 H new ATOM 0 HA ALA A 55 2.265 -13.171 8.096 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.097 -15.466 7.899 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.235 -14.964 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.014 -15.018 6.441 1.00 0.00 H new ATOM 783 N SER A 56 5.035 -11.952 8.109 1.00 0.00 N ATOM 784 CA SER A 56 6.201 -11.552 8.878 1.00 0.00 C ATOM 785 C SER A 56 5.871 -10.325 9.730 1.00 0.00 C ATOM 786 O SER A 56 5.078 -9.477 9.323 1.00 0.00 O ATOM 787 CB SER A 56 7.390 -11.258 7.962 1.00 0.00 C ATOM 788 OG SER A 56 8.516 -10.771 8.688 1.00 0.00 O ATOM 0 H SER A 56 4.789 -11.319 7.348 1.00 0.00 H new ATOM 0 HA SER A 56 6.478 -12.377 9.534 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.669 -12.166 7.427 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.097 -10.523 7.212 1.00 0.00 H new ATOM 0 HG SER A 56 9.341 -11.038 8.231 1.00 0.00 H new ATOM 794 N PRO A 57 6.513 -10.267 10.927 1.00 0.00 N ATOM 795 CA PRO A 57 6.295 -9.157 11.840 1.00 0.00 C ATOM 796 C PRO A 57 7.016 -7.898 11.354 1.00 0.00 C ATOM 797 O PRO A 57 6.450 -6.806 11.380 1.00 0.00 O ATOM 798 CB PRO A 57 6.802 -9.649 13.185 1.00 0.00 C ATOM 799 CG PRO A 57 7.706 -10.834 12.882 1.00 0.00 C ATOM 800 CD PRO A 57 7.459 -11.252 11.442 1.00 0.00 C ATOM 0 HA PRO A 57 5.247 -8.866 11.906 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.349 -8.864 13.707 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.974 -9.944 13.830 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.752 -10.563 13.027 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.494 -11.660 13.561 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.384 -11.252 10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.050 -12.261 11.387 1.00 0.00 H new ATOM 808 N MET A 58 8.253 -8.092 10.922 1.00 0.00 N ATOM 809 CA MET A 58 9.056 -6.986 10.430 1.00 0.00 C ATOM 810 C MET A 58 8.418 -6.352 9.193 1.00 0.00 C ATOM 811 O MET A 58 8.629 -5.172 8.917 1.00 0.00 O ATOM 812 CB MET A 58 10.458 -7.489 10.080 1.00 0.00 C ATOM 813 CG MET A 58 11.520 -6.449 10.442 1.00 0.00 C ATOM 814 SD MET A 58 12.339 -6.914 11.958 1.00 0.00 S ATOM 815 CE MET A 58 10.928 -7.060 13.041 1.00 0.00 C ATOM 0 H MET A 58 8.719 -8.999 10.902 1.00 0.00 H new ATOM 0 HA MET A 58 9.116 -6.230 11.212 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.658 -8.419 10.613 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.512 -7.714 9.015 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.249 -6.366 9.636 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.057 -5.469 10.555 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.269 -7.171 14.070 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.311 -6.165 12.957 1.00 0.00 H new ATOM 0 HE3 MET A 58 10.341 -7.933 12.758 1.00 0.00 H new ATOM 825 N VAL A 59 7.649 -7.163 8.481 1.00 0.00 N ATOM 826 CA VAL A 59 6.979 -6.696 7.280 1.00 0.00 C ATOM 827 C VAL A 59 5.838 -5.754 7.671 1.00 0.00 C ATOM 828 O VAL A 59 5.230 -5.119 6.811 1.00 0.00 O ATOM 829 CB VAL A 59 6.509 -7.889 6.445 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.516 -7.448 5.368 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.698 -8.627 5.826 1.00 0.00 C ATOM 0 H VAL A 59 7.475 -8.141 8.713 1.00 0.00 H new ATOM 0 HA VAL A 59 7.669 -6.130 6.654 1.00 0.00 H new ATOM 0 HB VAL A 59 5.994 -8.582 7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.198 -8.315 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.648 -6.989 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.994 -6.726 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.336 -9.470 5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.253 -7.946 5.181 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.353 -8.991 6.618 1.00 0.00 H new ATOM 841 N LYS A 60 5.582 -5.694 8.970 1.00 0.00 N ATOM 842 CA LYS A 60 4.526 -4.840 9.486 1.00 0.00 C ATOM 843 C LYS A 60 5.148 -3.617 10.161 1.00 0.00 C ATOM 844 O LYS A 60 4.438 -2.785 10.724 1.00 0.00 O ATOM 845 CB LYS A 60 3.591 -5.637 10.398 1.00 0.00 C ATOM 846 CG LYS A 60 3.207 -6.973 9.758 1.00 0.00 C ATOM 847 CD LYS A 60 2.307 -6.759 8.539 1.00 0.00 C ATOM 848 CE LYS A 60 0.884 -6.394 8.966 1.00 0.00 C ATOM 849 NZ LYS A 60 0.554 -5.014 8.545 1.00 0.00 N ATOM 0 H LYS A 60 6.088 -6.223 9.680 1.00 0.00 H new ATOM 0 HA LYS A 60 3.902 -4.471 8.672 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.078 -5.816 11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.692 -5.055 10.601 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.108 -7.510 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.692 -7.596 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.718 -5.966 7.914 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.288 -7.665 7.933 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.175 -7.094 8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.789 -6.483 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.478 -4.884 8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.998 -4.337 9.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.910 -4.851 7.581 1.00 0.00 H new ATOM 863 N LYS A 61 6.469 -3.545 10.083 1.00 0.00 N ATOM 864 CA LYS A 61 7.195 -2.437 10.680 1.00 0.00 C ATOM 865 C LYS A 61 7.944 -1.675 9.585 1.00 0.00 C ATOM 866 O LYS A 61 8.386 -0.548 9.799 1.00 0.00 O ATOM 867 CB LYS A 61 8.098 -2.935 11.810 1.00 0.00 C ATOM 868 CG LYS A 61 7.277 -3.609 12.911 1.00 0.00 C ATOM 869 CD LYS A 61 7.794 -3.219 14.297 1.00 0.00 C ATOM 870 CE LYS A 61 6.864 -3.738 15.395 1.00 0.00 C ATOM 871 NZ LYS A 61 6.661 -2.704 16.435 1.00 0.00 N ATOM 0 H LYS A 61 7.055 -4.236 9.615 1.00 0.00 H new ATOM 0 HA LYS A 61 6.503 -1.733 11.143 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.828 -3.640 11.413 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.657 -2.098 12.229 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.230 -3.322 12.816 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.323 -4.692 12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.796 -3.624 14.443 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.875 -2.134 14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.904 -4.021 14.963 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.288 -4.636 15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.027 -3.073 17.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.577 -2.454 16.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.236 -1.858 16.005 1.00 0.00 H new ATOM 885 N ILE A 62 8.064 -2.322 8.434 1.00 0.00 N ATOM 886 CA ILE A 62 8.753 -1.720 7.305 1.00 0.00 C ATOM 887 C ILE A 62 7.738 -0.981 6.430 1.00 0.00 C ATOM 888 O ILE A 62 8.113 -0.151 5.604 1.00 0.00 O ATOM 889 CB ILE A 62 9.565 -2.772 6.549 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.547 -3.483 7.483 1.00 0.00 C ATOM 891 CG2 ILE A 62 10.269 -2.156 5.338 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.797 -4.921 7.025 1.00 0.00 C ATOM 0 H ILE A 62 7.696 -3.257 8.259 1.00 0.00 H new ATOM 0 HA ILE A 62 9.476 -0.981 7.650 1.00 0.00 H new ATOM 0 HB ILE A 62 8.876 -3.528 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.490 -2.937 7.509 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.152 -3.485 8.499 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.839 -2.926 4.818 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.526 -1.735 4.660 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.944 -1.368 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.498 -5.403 7.706 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.856 -5.471 7.024 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.215 -4.915 6.018 1.00 0.00 H new ATOM 904 N ILE A 63 6.472 -1.309 6.642 1.00 0.00 N ATOM 905 CA ILE A 63 5.400 -0.687 5.884 1.00 0.00 C ATOM 906 C ILE A 63 4.862 0.515 6.661 1.00 0.00 C ATOM 907 O ILE A 63 4.840 1.633 6.148 1.00 0.00 O ATOM 908 CB ILE A 63 4.328 -1.718 5.526 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.805 -2.637 4.399 1.00 0.00 C ATOM 910 CG2 ILE A 63 3.002 -1.035 5.186 1.00 0.00 C ATOM 911 CD1 ILE A 63 4.157 -4.019 4.507 1.00 0.00 C ATOM 0 H ILE A 63 6.165 -1.998 7.328 1.00 0.00 H new ATOM 0 HA ILE A 63 5.776 -0.309 4.933 1.00 0.00 H new ATOM 0 HB ILE A 63 4.152 -2.345 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.562 -2.192 3.434 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.890 -2.736 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.257 -1.790 4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.659 -0.458 6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.144 -0.369 4.335 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.513 -4.652 3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.422 -4.472 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.074 -3.919 4.441 1.00 0.00 H new ATOM 923 N GLU A 64 4.440 0.245 7.888 1.00 0.00 N ATOM 924 CA GLU A 64 3.902 1.291 8.742 1.00 0.00 C ATOM 925 C GLU A 64 4.890 2.456 8.840 1.00 0.00 C ATOM 926 O GLU A 64 4.484 3.615 8.911 1.00 0.00 O ATOM 927 CB GLU A 64 3.560 0.744 10.129 1.00 0.00 C ATOM 928 CG GLU A 64 2.415 -0.268 10.052 1.00 0.00 C ATOM 929 CD GLU A 64 2.428 -1.203 11.263 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.202 -0.909 12.199 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.662 -2.190 11.226 1.00 0.00 O ATOM 0 H GLU A 64 4.460 -0.683 8.311 1.00 0.00 H new ATOM 0 HA GLU A 64 2.979 1.660 8.295 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.440 0.270 10.564 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.281 1.565 10.789 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.462 0.259 10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.502 -0.852 9.136 1.00 0.00 H new ATOM 938 N LYS A 65 6.168 2.107 8.841 1.00 0.00 N ATOM 939 CA LYS A 65 7.217 3.109 8.929 1.00 0.00 C ATOM 940 C LYS A 65 7.287 3.885 7.612 1.00 0.00 C ATOM 941 O LYS A 65 7.560 5.085 7.608 1.00 0.00 O ATOM 942 CB LYS A 65 8.543 2.463 9.334 1.00 0.00 C ATOM 943 CG LYS A 65 8.658 2.352 10.855 1.00 0.00 C ATOM 944 CD LYS A 65 10.040 1.840 11.265 1.00 0.00 C ATOM 945 CE LYS A 65 10.849 2.940 11.955 1.00 0.00 C ATOM 946 NZ LYS A 65 11.666 3.680 10.968 1.00 0.00 N ATOM 0 H LYS A 65 6.501 1.145 8.782 1.00 0.00 H new ATOM 0 HA LYS A 65 6.989 3.831 9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.620 1.472 8.887 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.373 3.053 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.478 3.327 11.309 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.890 1.678 11.233 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.932 0.988 11.936 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.577 1.486 10.385 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.176 3.628 12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.496 2.501 12.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.209 4.423 11.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.322 3.024 10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.043 4.115 10.258 1.00 0.00 H new ATOM 960 N MET A 66 7.036 3.169 6.526 1.00 0.00 N ATOM 961 CA MET A 66 7.068 3.775 5.206 1.00 0.00 C ATOM 962 C MET A 66 6.103 4.960 5.124 1.00 0.00 C ATOM 963 O MET A 66 6.430 5.991 4.538 1.00 0.00 O ATOM 964 CB MET A 66 6.685 2.731 4.156 1.00 0.00 C ATOM 965 CG MET A 66 7.808 2.544 3.133 1.00 0.00 C ATOM 966 SD MET A 66 7.975 4.014 2.134 1.00 0.00 S ATOM 967 CE MET A 66 6.291 4.198 1.569 1.00 0.00 C ATOM 0 H MET A 66 6.810 2.174 6.533 1.00 0.00 H new ATOM 0 HA MET A 66 8.078 4.139 5.018 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.471 1.780 4.644 1.00 0.00 H new ATOM 0 HB3 MET A 66 5.772 3.040 3.647 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.747 2.334 3.646 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.593 1.685 2.497 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.287 4.656 0.580 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.816 3.219 1.517 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.741 4.832 2.265 1.00 0.00 H new ATOM 977 N LEU A 67 4.935 4.773 5.720 1.00 0.00 N ATOM 978 CA LEU A 67 3.920 5.814 5.721 1.00 0.00 C ATOM 979 C LEU A 67 4.418 7.004 6.544 1.00 0.00 C ATOM 980 O LEU A 67 3.866 8.099 6.455 1.00 0.00 O ATOM 981 CB LEU A 67 2.579 5.254 6.199 1.00 0.00 C ATOM 982 CG LEU A 67 1.787 4.442 5.172 1.00 0.00 C ATOM 983 CD1 LEU A 67 2.625 3.283 4.626 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.459 3.961 5.760 1.00 0.00 C ATOM 0 H LEU A 67 4.668 3.917 6.206 1.00 0.00 H new ATOM 0 HA LEU A 67 3.745 6.177 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.761 4.623 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.958 6.086 6.532 1.00 0.00 H new ATOM 0 HG LEU A 67 1.550 5.093 4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.039 2.722 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.521 3.676 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.913 2.624 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.084 3.387 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.652 3.332 6.629 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.139 4.821 6.061 1.00 0.00 H new ATOM 996 N LYS A 68 5.457 6.749 7.326 1.00 0.00 N ATOM 997 CA LYS A 68 6.036 7.785 8.163 1.00 0.00 C ATOM 998 C LYS A 68 7.319 8.304 7.512 1.00 0.00 C ATOM 999 O LYS A 68 7.656 9.480 7.646 1.00 0.00 O ATOM 1000 CB LYS A 68 6.235 7.272 9.591 1.00 0.00 C ATOM 1001 CG LYS A 68 7.270 8.115 10.337 1.00 0.00 C ATOM 1002 CD LYS A 68 6.788 8.451 11.750 1.00 0.00 C ATOM 1003 CE LYS A 68 5.868 9.673 11.740 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.896 10.354 13.054 1.00 0.00 N ATOM 0 H LYS A 68 5.913 5.839 7.397 1.00 0.00 H new ATOM 0 HA LYS A 68 5.355 8.632 8.245 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.286 7.298 10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.558 6.231 9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 68 8.215 7.574 10.390 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.460 9.036 9.785 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.258 7.596 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.646 8.643 12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.181 10.365 10.958 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.849 9.366 11.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.266 11.181 13.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.575 9.696 13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.866 10.664 13.264 1.00 0.00 H new ATOM 1018 N ASN A 69 8.000 7.403 6.820 1.00 0.00 N ATOM 1019 CA ASN A 69 9.239 7.755 6.147 1.00 0.00 C ATOM 1020 C ASN A 69 10.263 8.220 7.184 1.00 0.00 C ATOM 1021 O ASN A 69 11.157 7.464 7.561 1.00 0.00 O ATOM 1022 CB ASN A 69 9.020 8.897 5.153 1.00 0.00 C ATOM 1023 CG ASN A 69 10.355 9.427 4.625 1.00 0.00 C ATOM 1024 OD1 ASN A 69 10.830 10.483 5.010 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.932 8.638 3.724 1.00 0.00 N ATOM 0 H ASN A 69 7.717 6.429 6.711 1.00 0.00 H new ATOM 0 HA ASN A 69 9.595 6.874 5.612 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.409 8.548 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.470 9.704 5.636 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.826 8.904 3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.481 7.767 3.445 1.00 0.00 H new ATOM 1032 N GLY A 70 10.098 9.461 7.617 1.00 0.00 N ATOM 1033 CA GLY A 70 10.997 10.036 8.603 1.00 0.00 C ATOM 1034 C GLY A 70 11.411 11.455 8.208 1.00 0.00 C ATOM 1035 O GLY A 70 10.574 12.354 8.144 1.00 0.00 O ATOM 0 H GLY A 70 9.355 10.085 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.510 10.054 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.883 9.409 8.701 1.00 0.00 H new ATOM 1135 N ARG B 8 7.739 15.968 -8.954 1.00 0.00 N ATOM 1136 CA ARG B 8 6.886 16.311 -7.829 1.00 0.00 C ATOM 1137 C ARG B 8 6.148 15.069 -7.325 1.00 0.00 C ATOM 1138 O ARG B 8 6.700 13.970 -7.330 1.00 0.00 O ATOM 1139 CB ARG B 8 5.864 17.381 -8.218 1.00 0.00 C ATOM 1140 CG ARG B 8 6.499 18.443 -9.119 1.00 0.00 C ATOM 1141 CD ARG B 8 5.912 18.386 -10.531 1.00 0.00 C ATOM 1142 NE ARG B 8 5.676 19.757 -11.036 1.00 0.00 N ATOM 1143 CZ ARG B 8 5.336 20.044 -12.300 1.00 0.00 C ATOM 1144 NH1 ARG B 8 5.190 19.057 -13.195 1.00 0.00 N ATOM 1145 NH2 ARG B 8 5.141 21.317 -12.669 1.00 0.00 N ATOM 0 HA ARG B 8 7.523 16.705 -7.038 1.00 0.00 H new ATOM 0 HB2 ARG B 8 5.024 16.916 -8.734 1.00 0.00 H new ATOM 0 HB3 ARG B 8 5.465 17.852 -7.320 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.334 19.433 -8.693 1.00 0.00 H new ATOM 0 HG3 ARG B 8 7.577 18.290 -9.163 1.00 0.00 H new ATOM 0 HD2 ARG B 8 6.594 17.857 -11.196 1.00 0.00 H new ATOM 0 HD3 ARG B 8 4.977 17.826 -10.523 1.00 0.00 H new ATOM 0 HE ARG B 8 5.779 20.532 -10.381 1.00 0.00 H new ATOM 0 HH11 ARG B 8 5.338 18.088 -12.914 1.00 0.00 H new ATOM 0 HH12 ARG B 8 4.931 19.275 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG B 8 5.251 22.068 -11.988 1.00 0.00 H new ATOM 0 HH22 ARG B 8 4.882 21.535 -13.631 1.00 0.00 H new ATOM 1159 N CYS B 9 4.911 15.286 -6.903 1.00 0.00 N ATOM 1160 CA CYS B 9 4.091 14.199 -6.397 1.00 0.00 C ATOM 1161 C CYS B 9 3.403 13.523 -7.585 1.00 0.00 C ATOM 1162 O CYS B 9 3.407 14.055 -8.694 1.00 0.00 O ATOM 1163 CB CYS B 9 3.082 14.688 -5.356 1.00 0.00 C ATOM 1164 SG CYS B 9 3.778 14.972 -3.687 1.00 0.00 S ATOM 0 H CYS B 9 4.457 16.199 -6.901 1.00 0.00 H new ATOM 0 HA CYS B 9 4.722 13.474 -5.883 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.636 15.617 -5.711 1.00 0.00 H new ATOM 0 HB3 CYS B 9 2.277 13.957 -5.279 1.00 0.00 H new ATOM 1169 N GLN B 10 2.829 12.360 -7.313 1.00 0.00 N ATOM 1170 CA GLN B 10 2.139 11.606 -8.345 1.00 0.00 C ATOM 1171 C GLN B 10 0.628 11.828 -8.244 1.00 0.00 C ATOM 1172 O GLN B 10 -0.134 11.318 -9.064 1.00 0.00 O ATOM 1173 CB GLN B 10 2.481 10.118 -8.259 1.00 0.00 C ATOM 1174 CG GLN B 10 2.154 9.403 -9.571 1.00 0.00 C ATOM 1175 CD GLN B 10 1.315 8.149 -9.318 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.213 7.997 -9.819 1.00 0.00 O ATOM 1177 NE2 GLN B 10 1.895 7.262 -8.515 1.00 0.00 N ATOM 0 H GLN B 10 2.828 11.922 -6.392 1.00 0.00 H new ATOM 0 HA GLN B 10 2.476 11.967 -9.317 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.540 9.997 -8.029 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.923 9.660 -7.442 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.613 10.079 -10.233 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.078 9.130 -10.081 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.820 7.452 -8.129 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.415 6.392 -8.285 1.00 0.00 H new ATOM 1186 N CYS B 11 0.241 12.590 -7.231 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.165 12.885 -7.013 1.00 0.00 C ATOM 1188 C CYS B 11 -1.282 14.332 -6.528 1.00 0.00 C ATOM 1189 O CYS B 11 -0.474 14.786 -5.719 1.00 0.00 O ATOM 1190 CB CYS B 11 -1.804 11.901 -6.031 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.264 11.008 -6.680 1.00 0.00 S ATOM 0 H CYS B 11 0.876 13.011 -6.553 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.713 12.770 -7.948 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.053 11.171 -5.730 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.098 12.445 -5.133 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.294 15.015 -7.042 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.527 16.400 -6.671 1.00 0.00 C ATOM 1198 C LEU B 12 -3.774 16.485 -5.789 1.00 0.00 C ATOM 1199 O LEU B 12 -4.019 17.508 -5.151 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.596 17.284 -7.918 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.554 16.998 -9.001 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.083 17.379 -10.386 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.228 17.692 -8.684 1.00 0.00 C ATOM 0 H LEU B 12 -2.962 14.635 -7.713 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.693 16.782 -6.082 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.587 17.179 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.493 18.324 -7.608 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.361 15.925 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.323 17.166 -11.137 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -2.981 16.801 -10.604 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.323 18.442 -10.404 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.495 17.472 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.386 18.769 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.153 17.330 -7.729 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.529 15.396 -5.780 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.744 15.334 -4.986 1.00 0.00 C ATOM 1217 C GLN B 13 -5.793 14.028 -4.190 1.00 0.00 C ATOM 1218 O GLN B 13 -5.027 13.104 -4.460 1.00 0.00 O ATOM 1219 CB GLN B 13 -6.984 15.484 -5.869 1.00 0.00 C ATOM 1220 CG GLN B 13 -8.217 15.828 -5.030 1.00 0.00 C ATOM 1221 CD GLN B 13 -9.145 16.782 -5.784 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -8.953 17.083 -6.951 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -10.160 17.238 -5.056 1.00 0.00 N ATOM 0 H GLN B 13 -4.322 14.549 -6.310 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.737 16.166 -4.282 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.815 16.265 -6.610 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.159 14.558 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.756 14.915 -4.778 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.906 16.285 -4.090 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -10.262 16.946 -4.084 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -10.836 17.880 -5.469 1.00 0.00 H new ATOM 1232 N THR B 14 -6.700 13.993 -3.226 1.00 0.00 N ATOM 1233 CA THR B 14 -6.859 12.816 -2.389 1.00 0.00 C ATOM 1234 C THR B 14 -8.298 12.713 -1.879 1.00 0.00 C ATOM 1235 O THR B 14 -9.056 13.678 -1.954 1.00 0.00 O ATOM 1236 CB THR B 14 -5.820 12.889 -1.268 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.746 14.278 -0.954 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.411 12.541 -1.751 1.00 0.00 C ATOM 0 H THR B 14 -7.333 14.762 -3.005 1.00 0.00 H new ATOM 0 HA THR B 14 -6.683 11.902 -2.956 1.00 0.00 H new ATOM 0 HB THR B 14 -6.105 12.211 -0.464 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.096 14.416 -0.234 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.713 12.608 -0.916 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.403 11.527 -2.150 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.111 13.240 -2.532 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.629 11.535 -1.373 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.964 11.294 -0.851 1.00 0.00 C ATOM 1248 C LEU B 15 -9.894 11.156 0.672 1.00 0.00 C ATOM 1249 O LEU B 15 -8.808 11.057 1.240 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.603 10.091 -1.548 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.738 10.191 -3.069 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.528 8.827 -3.729 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.078 10.817 -3.460 1.00 0.00 C ATOM 0 H LEU B 15 -7.997 10.737 -1.313 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.616 12.141 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.014 9.205 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.595 9.936 -1.124 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.954 10.851 -3.439 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.629 8.926 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.531 8.457 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.274 8.124 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.149 10.877 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.892 10.202 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.149 11.819 -3.036 1.00 0.00 H new ATOM 1265 N GLN B 16 -11.067 11.156 1.288 1.00 0.00 N ATOM 1266 CA GLN B 16 -11.153 11.032 2.733 1.00 0.00 C ATOM 1267 C GLN B 16 -11.118 9.558 3.143 1.00 0.00 C ATOM 1268 O GLN B 16 -10.909 9.241 4.313 1.00 0.00 O ATOM 1269 CB GLN B 16 -12.410 11.721 3.269 1.00 0.00 C ATOM 1270 CG GLN B 16 -12.710 11.276 4.701 1.00 0.00 C ATOM 1271 CD GLN B 16 -13.485 12.356 5.460 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -14.491 12.872 5.002 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -12.961 12.668 6.642 1.00 0.00 N ATOM 0 H GLN B 16 -11.966 11.240 0.813 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.290 11.531 3.173 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -12.276 12.802 3.241 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -13.259 11.488 2.626 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.288 10.352 4.685 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.777 11.059 5.221 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -12.116 12.197 6.966 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -13.404 13.378 7.225 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.326 8.698 2.157 1.00 0.00 N ATOM 1283 CA GLY B 17 -11.321 7.266 2.401 1.00 0.00 C ATOM 1284 C GLY B 17 -12.519 6.591 1.728 1.00 0.00 C ATOM 1285 O GLY B 17 -13.644 6.685 2.216 1.00 0.00 O ATOM 0 H GLY B 17 -11.499 8.965 1.188 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -10.395 6.832 2.023 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -11.347 7.076 3.474 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.236 5.926 0.618 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.275 5.236 -0.127 1.00 0.00 C ATOM 1291 C ILE B 18 -13.561 3.887 0.535 1.00 0.00 C ATOM 1292 O ILE B 18 -12.716 3.352 1.252 1.00 0.00 O ATOM 1293 CB ILE B 18 -12.893 5.127 -1.605 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -13.200 6.429 -2.348 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -13.570 3.921 -2.258 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -12.922 6.283 -3.845 1.00 0.00 C ATOM 0 H ILE B 18 -11.302 5.850 0.216 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.203 5.807 -0.103 1.00 0.00 H new ATOM 0 HB ILE B 18 -11.817 4.966 -1.669 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -14.244 6.703 -2.193 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -12.594 7.237 -1.939 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -13.282 3.866 -3.308 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -13.259 3.009 -1.748 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -14.652 4.027 -2.184 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -13.148 7.222 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -11.872 6.033 -3.997 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -13.547 5.490 -4.256 1.00 0.00 H new ATOM 1308 N HIS B 19 -14.755 3.376 0.272 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.162 2.099 0.834 1.00 0.00 C ATOM 1310 C HIS B 19 -14.101 1.041 0.526 1.00 0.00 C ATOM 1311 O HIS B 19 -13.426 1.113 -0.499 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.554 1.706 0.335 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.432 1.081 1.393 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -18.607 1.665 1.834 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.295 -0.082 2.092 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.143 0.881 2.757 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.329 -0.201 2.916 1.00 0.00 N ATOM 0 H HIS B 19 -15.453 3.823 -0.322 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.238 2.182 1.918 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.051 2.593 -0.058 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.447 1.006 -0.494 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.483 -0.787 1.992 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.064 1.066 3.290 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -18.488 -0.974 3.562 1.00 0.00 H new ATOM 1325 N LEU B 20 -13.988 0.082 1.434 1.00 0.00 N ATOM 1326 CA LEU B 20 -13.020 -0.990 1.272 1.00 0.00 C ATOM 1327 C LEU B 20 -13.646 -2.117 0.448 1.00 0.00 C ATOM 1328 O LEU B 20 -13.085 -3.207 0.353 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.493 -1.446 2.635 1.00 0.00 C ATOM 1330 CG LEU B 20 -11.667 -2.734 2.638 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.555 -2.675 1.589 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -11.122 -3.032 4.036 1.00 0.00 C ATOM 0 H LEU B 20 -14.550 0.025 2.283 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.149 -0.636 0.720 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -11.883 -0.645 3.053 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -13.343 -1.581 3.304 1.00 0.00 H new ATOM 0 HG LEU B 20 -12.322 -3.561 2.365 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.983 -3.603 1.612 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -10.994 -2.544 0.600 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -9.894 -1.836 1.806 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -10.539 -3.952 4.011 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.486 -2.209 4.362 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -11.952 -3.148 4.733 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.801 -1.814 -0.128 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.509 -2.788 -0.941 1.00 0.00 C ATOM 1346 C LYS B 21 -15.073 -2.641 -2.400 1.00 0.00 C ATOM 1347 O LYS B 21 -15.262 -3.554 -3.203 1.00 0.00 O ATOM 1348 CB LYS B 21 -17.020 -2.660 -0.736 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.787 -3.249 -1.921 1.00 0.00 C ATOM 1350 CD LYS B 21 -17.602 -4.766 -1.994 1.00 0.00 C ATOM 1351 CE LYS B 21 -17.337 -5.219 -3.431 1.00 0.00 C ATOM 1352 NZ LYS B 21 -18.201 -6.368 -3.780 1.00 0.00 N ATOM 0 H LYS B 21 -15.263 -0.908 -0.048 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.253 -3.801 -0.631 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.311 -3.173 0.181 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.286 -1.610 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -18.847 -3.012 -1.827 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -17.439 -2.792 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -16.771 -5.065 -1.356 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -18.493 -5.263 -1.611 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -17.523 -4.394 -4.119 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -16.289 -5.497 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -18.008 -6.663 -4.759 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -18.004 -7.159 -3.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -19.200 -6.091 -3.692 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.496 -1.486 -2.699 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.031 -1.209 -4.047 1.00 0.00 C ATOM 1368 C ASN B 22 -12.513 -1.387 -4.105 1.00 0.00 C ATOM 1369 O ASN B 22 -11.998 -2.075 -4.984 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.354 0.230 -4.456 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.621 0.285 -5.313 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -15.664 -0.195 -6.434 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.645 0.896 -4.725 1.00 0.00 N ATOM 0 H ASN B 22 -14.340 -0.732 -2.031 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.533 -1.899 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.486 0.844 -3.565 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.516 0.651 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.535 0.985 -5.215 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.540 1.275 -3.784 1.00 0.00 H new ATOM 1380 N ILE B 23 -11.838 -0.754 -3.156 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.389 -0.834 -3.088 1.00 0.00 C ATOM 1382 C ILE B 23 -9.957 -2.297 -3.204 1.00 0.00 C ATOM 1383 O ILE B 23 -10.499 -3.164 -2.521 1.00 0.00 O ATOM 1384 CB ILE B 23 -9.873 -0.139 -1.826 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.699 1.364 -2.060 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.583 -0.794 -1.328 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.432 2.173 -0.988 1.00 0.00 C ATOM 0 H ILE B 23 -12.268 -0.184 -2.428 1.00 0.00 H new ATOM 0 HA ILE B 23 -9.938 -0.301 -3.925 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.619 -0.259 -1.041 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.639 1.617 -2.050 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.081 1.629 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.238 -0.281 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.773 -1.842 -1.097 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.818 -0.726 -2.102 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.293 3.237 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.495 1.935 -1.017 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -10.031 1.923 -0.006 1.00 0.00 H new ATOM 1399 N GLN B 24 -8.985 -2.526 -4.075 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.474 -3.869 -4.290 1.00 0.00 C ATOM 1401 C GLN B 24 -7.036 -3.978 -3.780 1.00 0.00 C ATOM 1402 O GLN B 24 -6.575 -5.066 -3.437 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.564 -4.261 -5.766 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.056 -5.701 -5.923 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.011 -6.696 -5.413 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.139 -7.280 -4.349 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -6.973 -6.855 -6.228 1.00 0.00 N ATOM 0 H GLN B 24 -8.538 -1.804 -4.640 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.093 -4.566 -3.725 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.242 -3.583 -6.285 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -7.586 -4.154 -6.234 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -9.988 -5.833 -5.373 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -9.274 -5.902 -6.972 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -6.928 -6.335 -7.104 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.221 -7.497 -5.977 1.00 0.00 H new ATOM 1416 N SER B 25 -6.366 -2.835 -3.747 1.00 0.00 N ATOM 1417 CA SER B 25 -4.989 -2.788 -3.285 1.00 0.00 C ATOM 1418 C SER B 25 -4.659 -1.388 -2.763 1.00 0.00 C ATOM 1419 O SER B 25 -5.393 -0.436 -3.025 1.00 0.00 O ATOM 1420 CB SER B 25 -4.019 -3.180 -4.403 1.00 0.00 C ATOM 1421 OG SER B 25 -4.663 -3.931 -5.429 1.00 0.00 O ATOM 0 H SER B 25 -6.751 -1.935 -4.033 1.00 0.00 H new ATOM 0 HA SER B 25 -4.876 -3.507 -2.474 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.579 -2.280 -4.834 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.201 -3.766 -3.984 1.00 0.00 H new ATOM 0 HG SER B 25 -4.012 -4.161 -6.124 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.556 -1.308 -2.035 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.120 -0.040 -1.474 1.00 0.00 C ATOM 1429 C VAL B 26 -1.675 0.230 -1.897 1.00 0.00 C ATOM 1430 O VAL B 26 -0.811 -0.634 -1.755 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.308 -0.048 0.044 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.512 1.082 0.701 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -4.790 0.039 0.414 1.00 0.00 C ATOM 0 H VAL B 26 -2.951 -2.100 -1.820 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.729 0.778 -1.859 1.00 0.00 H new ATOM 0 HB VAL B 26 -2.923 -0.994 0.424 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.663 1.054 1.780 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.452 0.957 0.480 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -2.853 2.041 0.312 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -4.895 0.031 1.499 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.211 0.962 0.015 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.321 -0.814 -0.008 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.456 1.433 -2.408 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.130 1.827 -2.852 1.00 0.00 C ATOM 1445 C LYS B 27 0.314 3.070 -2.077 1.00 0.00 C ATOM 1446 O LYS B 27 -0.341 4.109 -2.135 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.105 2.009 -4.371 1.00 0.00 C ATOM 1448 CG LYS B 27 1.280 2.449 -4.848 1.00 0.00 C ATOM 1449 CD LYS B 27 2.381 1.659 -4.138 1.00 0.00 C ATOM 1450 CE LYS B 27 3.636 1.565 -5.009 1.00 0.00 C ATOM 1451 NZ LYS B 27 4.442 0.383 -4.630 1.00 0.00 N ATOM 0 H LYS B 27 -2.175 2.147 -2.524 1.00 0.00 H new ATOM 0 HA LYS B 27 0.593 1.040 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.381 1.073 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.847 2.751 -4.664 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.361 2.304 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.412 3.514 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS B 27 2.626 2.140 -3.191 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.021 0.657 -3.903 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.353 1.498 -6.059 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.232 2.470 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 5.449 0.582 -4.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 4.293 0.170 -3.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 4.151 -0.434 -5.203 1.00 0.00 H new ATOM 1465 N VAL B 28 1.424 2.921 -1.369 1.00 0.00 N ATOM 1466 CA VAL B 28 1.963 4.019 -0.583 1.00 0.00 C ATOM 1467 C VAL B 28 3.253 4.520 -1.235 1.00 0.00 C ATOM 1468 O VAL B 28 4.215 3.767 -1.377 1.00 0.00 O ATOM 1469 CB VAL B 28 2.159 3.576 0.868 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.956 4.618 1.656 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.814 3.291 1.540 1.00 0.00 C ATOM 0 H VAL B 28 1.965 2.057 -1.323 1.00 0.00 H new ATOM 0 HA VAL B 28 1.263 4.855 -0.562 1.00 0.00 H new ATOM 0 HB VAL B 28 2.733 2.650 0.861 1.00 0.00 H new ATOM 0 HG11 VAL B 28 3.081 4.279 2.684 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.935 4.751 1.196 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.420 5.567 1.650 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.981 2.978 2.571 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.204 4.194 1.530 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.298 2.498 0.999 1.00 0.00 H new ATOM 1481 N LYS B 29 3.233 5.790 -1.613 1.00 0.00 N ATOM 1482 CA LYS B 29 4.389 6.401 -2.246 1.00 0.00 C ATOM 1483 C LYS B 29 4.887 7.559 -1.378 1.00 0.00 C ATOM 1484 O LYS B 29 4.621 8.722 -1.676 1.00 0.00 O ATOM 1485 CB LYS B 29 4.061 6.808 -3.683 1.00 0.00 C ATOM 1486 CG LYS B 29 5.337 6.982 -4.509 1.00 0.00 C ATOM 1487 CD LYS B 29 6.052 8.284 -4.145 1.00 0.00 C ATOM 1488 CE LYS B 29 6.765 8.878 -5.362 1.00 0.00 C ATOM 1489 NZ LYS B 29 7.521 10.091 -4.980 1.00 0.00 N ATOM 0 H LYS B 29 2.434 6.413 -1.493 1.00 0.00 H new ATOM 0 HA LYS B 29 5.206 5.683 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.426 6.051 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.495 7.740 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.004 6.137 -4.338 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.090 6.983 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.331 9.002 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS B 29 6.775 8.096 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS B 29 7.443 8.140 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.035 9.125 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.608 10.720 -5.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 7.018 10.588 -4.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.469 9.820 -4.650 1.00 0.00 H new ATOM 1503 N SER B 30 5.602 7.199 -0.321 1.00 0.00 N ATOM 1504 CA SER B 30 6.140 8.194 0.592 1.00 0.00 C ATOM 1505 C SER B 30 6.801 9.325 -0.198 1.00 0.00 C ATOM 1506 O SER B 30 6.946 9.235 -1.416 1.00 0.00 O ATOM 1507 CB SER B 30 7.143 7.566 1.561 1.00 0.00 C ATOM 1508 OG SER B 30 8.472 8.023 1.325 1.00 0.00 O ATOM 0 H SER B 30 5.821 6.233 -0.077 1.00 0.00 H new ATOM 0 HA SER B 30 5.317 8.602 1.178 1.00 0.00 H new ATOM 0 HB2 SER B 30 6.855 7.803 2.585 1.00 0.00 H new ATOM 0 HB3 SER B 30 7.110 6.481 1.464 1.00 0.00 H new ATOM 0 HG SER B 30 9.082 7.600 1.965 1.00 0.00 H new ATOM 1514 N PRO B 31 7.196 10.392 0.548 1.00 0.00 N ATOM 1515 CA PRO B 31 7.838 11.540 -0.069 1.00 0.00 C ATOM 1516 C PRO B 31 9.287 11.222 -0.443 1.00 0.00 C ATOM 1517 O PRO B 31 9.818 10.182 -0.055 1.00 0.00 O ATOM 1518 CB PRO B 31 7.721 12.655 0.957 1.00 0.00 C ATOM 1519 CG PRO B 31 7.435 11.972 2.285 1.00 0.00 C ATOM 1520 CD PRO B 31 7.041 10.533 1.993 1.00 0.00 C ATOM 0 HA PRO B 31 7.368 11.830 -1.008 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.641 13.237 1.008 1.00 0.00 H new ATOM 0 HB3 PRO B 31 6.921 13.346 0.693 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.314 12.004 2.928 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.634 12.487 2.815 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.679 9.831 2.530 1.00 0.00 H new ATOM 0 HD3 PRO B 31 6.015 10.333 2.303 1.00 0.00 H new ATOM 1528 N GLY B 32 9.886 12.136 -1.191 1.00 0.00 N ATOM 1529 CA GLY B 32 11.264 11.966 -1.622 1.00 0.00 C ATOM 1530 C GLY B 32 12.007 13.303 -1.622 1.00 0.00 C ATOM 1531 O GLY B 32 11.606 14.241 -0.935 1.00 0.00 O ATOM 0 H GLY B 32 9.443 12.997 -1.510 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.772 11.264 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.285 11.534 -2.623 1.00 0.00 H new ATOM 1535 N PRO B 33 13.106 13.350 -2.423 1.00 0.00 N ATOM 1536 CA PRO B 33 13.909 14.556 -2.522 1.00 0.00 C ATOM 1537 C PRO B 33 13.203 15.616 -3.370 1.00 0.00 C ATOM 1538 O PRO B 33 13.736 16.706 -3.578 1.00 0.00 O ATOM 1539 CB PRO B 33 15.231 14.101 -3.119 1.00 0.00 C ATOM 1540 CG PRO B 33 14.955 12.751 -3.760 1.00 0.00 C ATOM 1541 CD PRO B 33 13.610 12.259 -3.251 1.00 0.00 C ATOM 0 HA PRO B 33 14.068 15.036 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.594 14.817 -3.857 1.00 0.00 H new ATOM 0 HB3 PRO B 33 15.999 14.019 -2.350 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.943 12.840 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.742 12.040 -3.507 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.931 12.041 -4.075 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.717 11.341 -2.674 1.00 0.00 H new ATOM 1549 N HIS B 34 12.016 15.260 -3.837 1.00 0.00 N ATOM 1550 CA HIS B 34 11.232 16.167 -4.658 1.00 0.00 C ATOM 1551 C HIS B 34 9.966 16.579 -3.903 1.00 0.00 C ATOM 1552 O HIS B 34 9.722 17.767 -3.695 1.00 0.00 O ATOM 1553 CB HIS B 34 10.931 15.543 -6.022 1.00 0.00 C ATOM 1554 CG HIS B 34 10.810 14.038 -5.996 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.886 13.204 -5.744 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.731 13.227 -6.192 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.461 11.950 -5.789 1.00 0.00 C ATOM 1558 NE2 HIS B 34 10.126 11.966 -6.068 1.00 0.00 N ATOM 0 H HIS B 34 11.578 14.356 -3.663 1.00 0.00 H new ATOM 0 HA HIS B 34 11.807 17.072 -4.856 1.00 0.00 H new ATOM 0 HB2 HIS B 34 10.002 15.965 -6.406 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.721 15.822 -6.720 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.726 13.555 -6.411 1.00 0.00 H new ATOM 0 HE1 HIS B 34 12.066 11.069 -5.632 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.530 11.144 -6.165 1.00 0.00 H new ATOM 1566 N CYS B 35 9.195 15.575 -3.514 1.00 0.00 N ATOM 1567 CA CYS B 35 7.961 15.818 -2.786 1.00 0.00 C ATOM 1568 C CYS B 35 8.193 15.467 -1.316 1.00 0.00 C ATOM 1569 O CYS B 35 8.576 14.343 -0.995 1.00 0.00 O ATOM 1570 CB CYS B 35 6.789 15.035 -3.382 1.00 0.00 C ATOM 1571 SG CYS B 35 5.409 16.068 -3.997 1.00 0.00 S ATOM 0 H CYS B 35 9.401 14.591 -3.689 1.00 0.00 H new ATOM 0 HA CYS B 35 7.689 16.870 -2.868 1.00 0.00 H new ATOM 0 HB2 CYS B 35 7.160 14.423 -4.204 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.404 14.352 -2.625 1.00 0.00 H new ATOM 1576 N ALA B 36 7.951 16.449 -0.460 1.00 0.00 N ATOM 1577 CA ALA B 36 8.129 16.257 0.969 1.00 0.00 C ATOM 1578 C ALA B 36 6.779 15.920 1.606 1.00 0.00 C ATOM 1579 O ALA B 36 6.576 16.150 2.797 1.00 0.00 O ATOM 1580 CB ALA B 36 8.763 17.510 1.577 1.00 0.00 C ATOM 0 H ALA B 36 7.633 17.380 -0.729 1.00 0.00 H new ATOM 0 HA ALA B 36 8.803 15.423 1.163 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.897 17.366 2.649 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.732 17.690 1.111 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.113 18.367 1.404 1.00 0.00 H new ATOM 1586 N GLN B 37 5.892 15.379 0.784 1.00 0.00 N ATOM 1587 CA GLN B 37 4.568 15.007 1.252 1.00 0.00 C ATOM 1588 C GLN B 37 4.231 13.580 0.813 1.00 0.00 C ATOM 1589 O GLN B 37 4.837 13.054 -0.119 1.00 0.00 O ATOM 1590 CB GLN B 37 3.512 15.997 0.755 1.00 0.00 C ATOM 1591 CG GLN B 37 3.977 17.441 0.955 1.00 0.00 C ATOM 1592 CD GLN B 37 3.660 17.928 2.370 1.00 0.00 C ATOM 1593 OE1 GLN B 37 3.032 17.245 3.163 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.127 19.143 2.641 1.00 0.00 N ATOM 0 H GLN B 37 6.064 15.189 -0.203 1.00 0.00 H new ATOM 0 HA GLN B 37 4.567 15.041 2.341 1.00 0.00 H new ATOM 0 HB2 GLN B 37 3.310 15.819 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.576 15.835 1.290 1.00 0.00 H new ATOM 0 HG2 GLN B 37 5.050 17.510 0.775 1.00 0.00 H new ATOM 0 HG3 GLN B 37 3.489 18.088 0.226 1.00 0.00 H new ATOM 0 HE21 GLN B 37 4.645 19.660 1.931 1.00 0.00 H new ATOM 0 HE22 GLN B 37 3.967 19.558 3.559 1.00 0.00 H new ATOM 1603 N THR B 38 3.266 12.994 1.507 1.00 0.00 N ATOM 1604 CA THR B 38 2.841 11.639 1.200 1.00 0.00 C ATOM 1605 C THR B 38 1.775 11.649 0.103 1.00 0.00 C ATOM 1606 O THR B 38 1.257 12.706 -0.254 1.00 0.00 O ATOM 1607 CB THR B 38 2.368 10.987 2.501 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.530 10.971 3.325 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.019 9.508 2.321 1.00 0.00 C ATOM 0 H THR B 38 2.767 13.433 2.281 1.00 0.00 H new ATOM 0 HA THR B 38 3.665 11.047 0.802 1.00 0.00 H new ATOM 0 HB THR B 38 1.497 11.523 2.879 1.00 0.00 H new ATOM 0 HG1 THR B 38 3.312 10.566 4.190 1.00 0.00 H new ATOM 0 HG21 THR B 38 1.689 9.093 3.274 1.00 0.00 H new ATOM 0 HG22 THR B 38 1.220 9.410 1.586 1.00 0.00 H new ATOM 0 HG23 THR B 38 2.899 8.966 1.975 1.00 0.00 H new ATOM 1617 N GLU B 39 1.480 10.460 -0.402 1.00 0.00 N ATOM 1618 CA GLU B 39 0.486 10.319 -1.452 1.00 0.00 C ATOM 1619 C GLU B 39 0.049 8.857 -1.576 1.00 0.00 C ATOM 1620 O GLU B 39 0.596 8.109 -2.384 1.00 0.00 O ATOM 1621 CB GLU B 39 1.017 10.847 -2.785 1.00 0.00 C ATOM 1622 CG GLU B 39 2.516 10.571 -2.926 1.00 0.00 C ATOM 1623 CD GLU B 39 2.915 10.451 -4.399 1.00 0.00 C ATOM 1624 OE1 GLU B 39 2.136 9.823 -5.148 1.00 0.00 O ATOM 1625 OE2 GLU B 39 3.989 10.990 -4.741 1.00 0.00 O ATOM 0 H GLU B 39 1.912 9.586 -0.103 1.00 0.00 H new ATOM 0 HA GLU B 39 -0.385 10.917 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU B 39 0.478 10.377 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU B 39 0.833 11.919 -2.855 1.00 0.00 H new ATOM 0 HG2 GLU B 39 3.083 11.374 -2.456 1.00 0.00 H new ATOM 0 HG3 GLU B 39 2.771 9.651 -2.400 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.932 8.495 -0.762 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.449 7.137 -0.771 1.00 0.00 C ATOM 1634 C VAL B 40 -2.317 6.934 -2.014 1.00 0.00 C ATOM 1635 O VAL B 40 -3.113 7.803 -2.369 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.196 6.853 0.533 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -2.525 5.365 0.664 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.398 7.347 1.742 1.00 0.00 C ATOM 0 H VAL B 40 -1.382 9.118 -0.092 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.632 6.418 -0.825 1.00 0.00 H new ATOM 0 HB VAL B 40 -3.137 7.403 0.506 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.056 5.191 1.600 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.152 5.056 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -1.601 4.786 0.658 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.952 7.133 2.656 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.434 6.839 1.774 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -1.239 8.422 1.658 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.135 5.782 -2.642 1.00 0.00 N ATOM 1649 CA ILE B 41 -2.892 5.454 -3.839 1.00 0.00 C ATOM 1650 C ILE B 41 -3.500 4.058 -3.685 1.00 0.00 C ATOM 1651 O ILE B 41 -2.786 3.058 -3.728 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.019 5.611 -5.085 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.297 6.960 -5.083 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -2.840 5.402 -6.359 1.00 0.00 C ATOM 1655 CD1 ILE B 41 0.221 6.769 -5.065 1.00 0.00 C ATOM 0 H ILE B 41 -1.474 5.064 -2.345 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.720 6.151 -3.969 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.253 4.836 -5.065 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -1.585 7.532 -5.965 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -1.605 7.540 -4.213 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.196 5.519 -7.230 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.268 4.399 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.643 6.138 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE B 41 0.710 7.743 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE B 41 0.508 6.218 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE B 41 0.528 6.210 -5.949 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.813 4.036 -3.510 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.526 2.780 -3.350 1.00 0.00 C ATOM 1669 C ALA B 42 -6.052 2.320 -4.711 1.00 0.00 C ATOM 1670 O ALA B 42 -6.711 3.084 -5.416 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.644 2.954 -2.321 1.00 0.00 C ATOM 0 H ALA B 42 -5.402 4.868 -3.475 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.857 2.005 -2.976 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -7.178 2.012 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.215 3.252 -1.364 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.337 3.723 -2.663 1.00 0.00 H new ATOM 1677 N THR B 43 -5.742 1.075 -5.040 1.00 0.00 N ATOM 1678 CA THR B 43 -6.176 0.505 -6.305 1.00 0.00 C ATOM 1679 C THR B 43 -7.638 0.062 -6.216 1.00 0.00 C ATOM 1680 O THR B 43 -8.072 -0.457 -5.189 1.00 0.00 O ATOM 1681 CB THR B 43 -5.218 -0.632 -6.664 1.00 0.00 C ATOM 1682 OG1 THR B 43 -3.988 0.028 -6.952 1.00 0.00 O ATOM 1683 CG2 THR B 43 -5.590 -1.318 -7.981 1.00 0.00 C ATOM 0 H THR B 43 -5.196 0.445 -4.453 1.00 0.00 H new ATOM 0 HA THR B 43 -6.141 1.244 -7.105 1.00 0.00 H new ATOM 0 HB THR B 43 -5.212 -1.368 -5.860 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.485 -0.492 -7.613 1.00 0.00 H new ATOM 0 HG21 THR B 43 -4.878 -2.117 -8.189 1.00 0.00 H new ATOM 0 HG22 THR B 43 -6.593 -1.737 -7.902 1.00 0.00 H new ATOM 0 HG23 THR B 43 -5.564 -0.589 -8.791 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.357 0.284 -7.307 1.00 0.00 N ATOM 1692 CA LEU B 44 -9.761 -0.086 -7.366 1.00 0.00 C ATOM 1693 C LEU B 44 -9.888 -1.503 -7.927 1.00 0.00 C ATOM 1694 O LEU B 44 -9.049 -1.941 -8.713 1.00 0.00 O ATOM 1695 CB LEU B 44 -10.558 0.959 -8.149 1.00 0.00 C ATOM 1696 CG LEU B 44 -11.845 1.455 -7.487 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.339 2.745 -8.147 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -12.918 0.364 -7.488 1.00 0.00 C ATOM 0 H LEU B 44 -7.993 0.715 -8.157 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.193 -0.099 -6.366 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -9.912 1.818 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -10.812 0.539 -9.122 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.625 1.689 -6.445 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.255 3.076 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.576 3.518 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.538 2.561 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -13.822 0.743 -7.012 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.142 0.075 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.555 -0.504 -6.938 1.00 0.00 H new ATOM 1710 N LYS B 45 -10.944 -2.182 -7.502 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.191 -3.541 -7.952 1.00 0.00 C ATOM 1712 C LYS B 45 -11.688 -3.511 -9.399 1.00 0.00 C ATOM 1713 O LYS B 45 -11.878 -4.559 -10.015 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.140 -4.259 -6.991 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.197 -5.758 -7.295 1.00 0.00 C ATOM 1716 CD LYS B 45 -13.428 -6.100 -8.137 1.00 0.00 C ATOM 1717 CE LYS B 45 -14.145 -7.333 -7.583 1.00 0.00 C ATOM 1718 NZ LYS B 45 -14.932 -6.979 -6.380 1.00 0.00 N ATOM 0 H LYS B 45 -11.638 -1.816 -6.851 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.267 -4.120 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.809 -4.105 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.139 -3.830 -7.072 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.294 -6.060 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.222 -6.321 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.112 -5.252 -8.149 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.128 -6.282 -9.169 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.803 -7.751 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -13.416 -8.104 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -15.412 -7.827 -6.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -14.297 -6.601 -5.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -15.641 -6.260 -6.628 1.00 0.00 H new ATOM 1732 N ASN B 46 -11.883 -2.300 -9.900 1.00 0.00 N ATOM 1733 CA ASN B 46 -12.353 -2.120 -11.263 1.00 0.00 C ATOM 1734 C ASN B 46 -11.161 -1.819 -12.174 1.00 0.00 C ATOM 1735 O ASN B 46 -11.301 -1.790 -13.395 1.00 0.00 O ATOM 1736 CB ASN B 46 -13.330 -0.947 -11.358 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.102 -0.146 -12.642 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -12.675 1.097 -12.435 1.00 0.00 O flip ATOM 1739 ND2 ASN B 46 -13.300 -0.625 -13.746 1.00 0.00 N flip ATOM 0 H ASN B 46 -11.724 -1.433 -9.386 1.00 0.00 H new ATOM 0 HA ASN B 46 -12.859 -3.036 -11.569 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -14.354 -1.319 -11.334 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.207 -0.296 -10.492 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.628 -1.587 -13.833 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.138 -0.064 -14.582 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.016 -1.600 -11.544 1.00 0.00 N ATOM 1747 CA GLY B 47 -8.801 -1.302 -12.282 1.00 0.00 C ATOM 1748 C GLY B 47 -8.401 0.165 -12.109 1.00 0.00 C ATOM 1749 O GLY B 47 -7.308 0.565 -12.508 1.00 0.00 O ATOM 0 H GLY B 47 -9.904 -1.623 -10.530 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -7.993 -1.946 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -8.951 -1.520 -13.339 1.00 0.00 H new ATOM 1753 N GLN B 48 -9.306 0.926 -11.512 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.061 2.339 -11.281 1.00 0.00 C ATOM 1755 C GLN B 48 -8.269 2.536 -9.987 1.00 0.00 C ATOM 1756 O GLN B 48 -7.857 1.565 -9.354 1.00 0.00 O ATOM 1757 CB GLN B 48 -10.374 3.125 -11.244 1.00 0.00 C ATOM 1758 CG GLN B 48 -10.846 3.469 -12.658 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.291 3.972 -12.647 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.008 3.856 -11.666 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -12.677 4.537 -13.788 1.00 0.00 N ATOM 0 H GLN B 48 -10.211 0.590 -11.181 1.00 0.00 H new ATOM 0 HA GLN B 48 -8.468 2.724 -12.110 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.139 2.539 -10.734 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.238 4.041 -10.669 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.195 4.231 -13.087 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -10.769 2.588 -13.295 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -12.026 4.602 -14.571 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -13.624 4.905 -13.880 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.079 3.798 -9.632 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.344 4.134 -8.425 1.00 0.00 C ATOM 1772 C LYS B 49 -7.979 5.363 -7.771 1.00 0.00 C ATOM 1773 O LYS B 49 -8.465 6.257 -8.462 1.00 0.00 O ATOM 1774 CB LYS B 49 -5.855 4.304 -8.735 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.290 3.054 -9.412 1.00 0.00 C ATOM 1776 CD LYS B 49 -5.427 3.144 -10.933 1.00 0.00 C ATOM 1777 CE LYS B 49 -4.140 2.693 -11.627 1.00 0.00 C ATOM 1778 NZ LYS B 49 -4.244 2.890 -13.091 1.00 0.00 N ATOM 0 H LYS B 49 -8.422 4.601 -10.160 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.406 3.320 -7.703 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -5.711 5.169 -9.382 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.308 4.501 -7.813 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -4.240 2.934 -9.144 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -5.814 2.171 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -6.260 2.523 -11.264 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -5.660 4.169 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -3.293 3.257 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -3.951 1.642 -11.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -3.362 2.579 -13.547 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -5.040 2.332 -13.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -4.403 3.897 -13.295 1.00 0.00 H new ATOM 1792 N ALA B 50 -7.956 5.366 -6.446 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.524 6.470 -5.691 1.00 0.00 C ATOM 1794 C ALA B 50 -7.511 6.942 -4.646 1.00 0.00 C ATOM 1795 O ALA B 50 -7.246 6.240 -3.672 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.848 6.031 -5.063 1.00 0.00 C ATOM 0 H ALA B 50 -7.553 4.622 -5.876 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.738 7.314 -6.347 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.274 6.859 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.542 5.733 -5.849 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.672 5.187 -4.396 1.00 0.00 H new ATOM 1802 N CYS B 51 -6.973 8.129 -4.885 1.00 0.00 N ATOM 1803 CA CYS B 51 -5.995 8.704 -3.976 1.00 0.00 C ATOM 1804 C CYS B 51 -6.683 8.973 -2.637 1.00 0.00 C ATOM 1805 O CYS B 51 -7.811 9.463 -2.602 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.359 9.969 -4.556 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.689 9.732 -5.266 1.00 0.00 S ATOM 0 H CYS B 51 -7.195 8.708 -5.695 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.176 8.001 -3.827 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -6.015 10.366 -5.331 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.301 10.723 -3.771 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.976 8.641 -1.567 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.505 8.842 -0.228 1.00 0.00 C ATOM 1814 C LEU B 52 -5.722 9.960 0.463 1.00 0.00 C ATOM 1815 O LEU B 52 -4.643 10.339 0.010 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.510 7.523 0.548 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.296 6.374 -0.086 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.873 5.028 0.507 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.803 6.606 0.036 1.00 0.00 C ATOM 0 H LEU B 52 -5.041 8.234 -1.600 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.546 9.163 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.478 7.200 0.682 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.917 7.711 1.541 1.00 0.00 H new ATOM 0 HG LEU B 52 -7.061 6.346 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.447 4.228 0.039 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.811 4.868 0.324 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -7.060 5.029 1.581 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.338 5.774 -0.423 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -9.076 6.676 1.089 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -9.071 7.533 -0.471 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.296 10.457 1.548 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.666 11.524 2.307 1.00 0.00 C ATOM 1833 C ASN B 53 -4.884 10.920 3.475 1.00 0.00 C ATOM 1834 O ASN B 53 -5.462 10.264 4.341 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.710 12.482 2.882 1.00 0.00 C ATOM 1836 CG ASN B 53 -6.044 13.714 3.499 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -5.001 14.171 3.062 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -6.702 14.222 4.537 1.00 0.00 N ATOM 0 H ASN B 53 -7.191 10.140 1.920 1.00 0.00 H new ATOM 0 HA ASN B 53 -5.006 12.072 1.634 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.397 12.792 2.095 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -7.303 11.968 3.638 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -6.338 15.044 5.019 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.571 13.790 4.851 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.547 11.170 3.462 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.680 10.658 4.510 1.00 0.00 C ATOM 1847 C PRO B 54 -2.851 11.458 5.802 1.00 0.00 C ATOM 1848 O PRO B 54 -2.197 11.174 6.804 1.00 0.00 O ATOM 1849 CB PRO B 54 -1.275 10.749 3.937 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.359 11.733 2.781 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.828 11.942 2.453 1.00 0.00 C ATOM 0 HA PRO B 54 -2.917 9.631 4.788 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.567 11.092 4.691 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.929 9.774 3.595 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.890 12.679 3.050 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.825 11.348 1.912 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -3.097 12.997 2.496 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -3.062 11.594 1.447 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.735 12.443 5.738 1.00 0.00 N ATOM 1860 CA ALA B 55 -4.001 13.286 6.891 1.00 0.00 C ATOM 1861 C ALA B 55 -5.369 12.927 7.476 1.00 0.00 C ATOM 1862 O ALA B 55 -5.907 13.662 8.303 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.911 14.757 6.480 1.00 0.00 C ATOM 0 H ALA B 55 -4.276 12.676 4.905 1.00 0.00 H new ATOM 0 HA ALA B 55 -3.256 13.118 7.668 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -4.111 15.389 7.345 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.912 14.968 6.099 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.647 14.963 5.702 1.00 0.00 H new ATOM 1869 N SER B 56 -5.892 11.797 7.023 1.00 0.00 N ATOM 1870 CA SER B 56 -7.186 11.331 7.491 1.00 0.00 C ATOM 1871 C SER B 56 -7.012 10.076 8.348 1.00 0.00 C ATOM 1872 O SER B 56 -6.151 9.243 8.067 1.00 0.00 O ATOM 1873 CB SER B 56 -8.127 11.048 6.318 1.00 0.00 C ATOM 1874 OG SER B 56 -9.354 10.465 6.747 1.00 0.00 O ATOM 0 H SER B 56 -5.443 11.191 6.337 1.00 0.00 H new ATOM 0 HA SER B 56 -7.634 12.118 8.098 1.00 0.00 H new ATOM 0 HB2 SER B 56 -8.333 11.977 5.786 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.635 10.379 5.612 1.00 0.00 H new ATOM 0 HG SER B 56 -9.818 10.076 5.977 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.866 9.976 9.402 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.815 8.836 10.301 1.00 0.00 C ATOM 1882 C PRO B 57 -8.423 7.594 9.647 1.00 0.00 C ATOM 1883 O PRO B 57 -7.908 6.488 9.805 1.00 0.00 O ATOM 1884 CB PRO B 57 -8.567 9.281 11.544 1.00 0.00 C ATOM 1885 CG PRO B 57 -9.406 10.475 11.118 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.898 10.943 9.764 1.00 0.00 C ATOM 0 HA PRO B 57 -6.795 8.544 10.552 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -9.197 8.478 11.928 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.876 9.554 12.342 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -10.459 10.199 11.056 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -9.329 11.277 11.852 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.699 10.962 9.025 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -8.492 11.953 9.821 1.00 0.00 H new ATOM 1894 N MET B 58 -9.512 7.818 8.925 1.00 0.00 N ATOM 1895 CA MET B 58 -10.196 6.731 8.246 1.00 0.00 C ATOM 1896 C MET B 58 -9.295 6.092 7.187 1.00 0.00 C ATOM 1897 O MET B 58 -9.461 4.920 6.852 1.00 0.00 O ATOM 1898 CB MET B 58 -11.467 7.263 7.581 1.00 0.00 C ATOM 1899 CG MET B 58 -12.307 6.120 7.009 1.00 0.00 C ATOM 1900 SD MET B 58 -13.943 6.147 7.723 1.00 0.00 S ATOM 1901 CE MET B 58 -13.523 6.268 9.454 1.00 0.00 C ATOM 0 H MET B 58 -9.937 8.736 8.796 1.00 0.00 H new ATOM 0 HA MET B 58 -10.452 5.971 8.984 1.00 0.00 H new ATOM 0 HB2 MET B 58 -12.055 7.822 8.308 1.00 0.00 H new ATOM 0 HB3 MET B 58 -11.201 7.958 6.784 1.00 0.00 H new ATOM 0 HG2 MET B 58 -12.373 6.213 5.925 1.00 0.00 H new ATOM 0 HG3 MET B 58 -11.826 5.164 7.218 1.00 0.00 H new ATOM 0 HE1 MET B 58 -14.287 5.768 10.050 1.00 0.00 H new ATOM 0 HE2 MET B 58 -12.558 5.793 9.628 1.00 0.00 H new ATOM 0 HE3 MET B 58 -13.468 7.318 9.743 1.00 0.00 H new ATOM 1911 N VAL B 59 -8.362 6.890 6.691 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.434 6.417 5.677 1.00 0.00 C ATOM 1913 C VAL B 59 -6.491 5.385 6.297 1.00 0.00 C ATOM 1914 O VAL B 59 -5.842 4.623 5.582 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.696 7.601 5.051 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -5.315 7.180 4.544 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.523 8.232 3.928 1.00 0.00 C ATOM 0 H VAL B 59 -8.228 7.861 6.972 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.971 5.922 4.868 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.554 8.354 5.826 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.811 8.040 4.104 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.722 6.799 5.376 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.426 6.400 3.791 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -6.975 9.072 3.500 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -7.711 7.489 3.153 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.472 8.586 4.330 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.444 5.392 7.622 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.591 4.466 8.346 1.00 0.00 C ATOM 1929 C LYS B 60 -6.419 3.258 8.790 1.00 0.00 C ATOM 1930 O LYS B 60 -5.913 2.375 9.481 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.880 5.181 9.496 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.490 6.606 9.099 1.00 0.00 C ATOM 1933 CD LYS B 60 -3.373 6.598 8.054 1.00 0.00 C ATOM 1934 CE LYS B 60 -2.009 6.371 8.710 1.00 0.00 C ATOM 1935 NZ LYS B 60 -1.536 4.992 8.458 1.00 0.00 N ATOM 0 H LYS B 60 -6.984 6.025 8.212 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.800 4.089 7.698 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.531 5.209 10.370 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.988 4.622 9.780 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.361 7.128 8.702 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.163 7.157 9.981 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.562 5.815 7.320 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -3.368 7.545 7.515 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -1.287 7.087 8.318 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.081 6.547 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.498 4.965 8.516 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.939 4.351 9.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.838 4.689 7.510 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.677 3.258 8.376 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.579 2.174 8.723 1.00 0.00 C ATOM 1951 C LYS B 61 -9.013 1.449 7.447 1.00 0.00 C ATOM 1952 O LYS B 61 -9.538 0.338 7.507 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.748 2.696 9.560 1.00 0.00 C ATOM 1954 CG LYS B 61 -9.263 3.219 10.914 1.00 0.00 C ATOM 1955 CD LYS B 61 -10.122 2.670 12.054 1.00 0.00 C ATOM 1956 CE LYS B 61 -9.641 3.199 13.407 1.00 0.00 C ATOM 1957 NZ LYS B 61 -9.763 2.152 14.446 1.00 0.00 N ATOM 0 H LYS B 61 -8.093 3.992 7.803 1.00 0.00 H new ATOM 0 HA LYS B 61 -8.070 1.442 9.350 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -10.259 3.493 9.020 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.475 1.898 9.713 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -8.223 2.932 11.067 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -9.297 4.308 10.920 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -11.163 2.953 11.898 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -10.084 1.581 12.051 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -8.603 3.523 13.329 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -10.227 4.073 13.692 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -9.432 2.528 15.358 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -10.758 1.862 14.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -9.184 1.330 14.180 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.776 2.107 6.321 1.00 0.00 N ATOM 1972 CA ILE B 62 -9.135 1.539 5.033 1.00 0.00 C ATOM 1973 C ILE B 62 -7.921 0.822 4.440 1.00 0.00 C ATOM 1974 O ILE B 62 -8.058 0.021 3.516 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.722 2.615 4.118 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.904 3.319 4.787 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -10.099 2.031 2.755 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -11.022 4.768 4.308 1.00 0.00 C ATOM 0 H ILE B 62 -8.340 3.028 6.274 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.920 0.792 5.152 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.955 3.370 3.943 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.826 2.782 4.563 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.778 3.299 5.870 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -10.514 2.817 2.124 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -9.211 1.615 2.279 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.841 1.244 2.889 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.870 5.246 4.799 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -10.108 5.308 4.555 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -11.172 4.783 3.228 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.759 1.136 4.995 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.521 0.532 4.533 1.00 0.00 C ATOM 1992 C ILE B 63 -5.193 -0.681 5.406 1.00 0.00 C ATOM 1993 O ILE B 63 -4.981 -1.779 4.895 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.403 1.574 4.482 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.575 2.506 3.280 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -3.027 0.904 4.496 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.985 3.888 3.569 1.00 0.00 C ATOM 0 H ILE B 63 -6.649 1.801 5.761 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.633 0.168 3.511 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.470 2.190 5.379 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -4.086 2.073 2.407 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.633 2.602 3.038 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.250 1.668 4.459 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.917 0.318 5.409 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.933 0.248 3.630 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.120 4.531 2.699 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.492 4.328 4.428 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.921 3.791 3.787 1.00 0.00 H new ATOM 2009 N GLU B 64 -5.161 -0.440 6.709 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.862 -1.499 7.658 1.00 0.00 C ATOM 2011 C GLU B 64 -5.834 -2.667 7.474 1.00 0.00 C ATOM 2012 O GLU B 64 -5.460 -3.824 7.656 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.902 -0.974 9.094 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.788 0.046 9.336 1.00 0.00 C ATOM 2015 CD GLU B 64 -4.080 0.893 10.576 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.674 0.330 11.521 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.704 2.085 10.551 1.00 0.00 O ATOM 0 H GLU B 64 -5.337 0.473 7.129 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.851 -1.859 7.465 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.870 -0.514 9.290 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -4.797 -1.805 9.792 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.837 -0.472 9.461 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.687 0.693 8.465 1.00 0.00 H new ATOM 2024 N LYS B 65 -7.061 -2.323 7.114 1.00 0.00 N ATOM 2025 CA LYS B 65 -8.089 -3.328 6.903 1.00 0.00 C ATOM 2026 C LYS B 65 -7.861 -4.009 5.552 1.00 0.00 C ATOM 2027 O LYS B 65 -8.188 -5.182 5.381 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.481 -2.711 7.053 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.910 -2.676 8.521 1.00 0.00 C ATOM 2030 CD LYS B 65 -10.991 -3.722 8.802 1.00 0.00 C ATOM 2031 CE LYS B 65 -10.406 -4.933 9.530 1.00 0.00 C ATOM 2032 NZ LYS B 65 -11.459 -5.941 9.788 1.00 0.00 N ATOM 0 H LYS B 65 -7.367 -1.362 6.963 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.025 -4.103 7.666 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.480 -1.700 6.647 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.202 -3.287 6.473 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -9.046 -2.860 9.160 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -10.286 -1.684 8.770 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.783 -3.278 9.405 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -11.445 -4.042 7.864 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -9.610 -5.375 8.931 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -9.958 -4.617 10.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -11.045 -6.757 10.283 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -12.205 -5.520 10.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -11.868 -6.255 8.885 1.00 0.00 H new ATOM 2046 N MET B 66 -7.300 -3.244 4.627 1.00 0.00 N ATOM 2047 CA MET B 66 -7.024 -3.759 3.297 1.00 0.00 C ATOM 2048 C MET B 66 -6.055 -4.942 3.357 1.00 0.00 C ATOM 2049 O MET B 66 -6.179 -5.890 2.584 1.00 0.00 O ATOM 2050 CB MET B 66 -6.421 -2.649 2.434 1.00 0.00 C ATOM 2051 CG MET B 66 -7.354 -2.286 1.277 1.00 0.00 C ATOM 2052 SD MET B 66 -7.689 -3.732 0.286 1.00 0.00 S ATOM 2053 CE MET B 66 -6.071 -4.008 -0.416 1.00 0.00 C ATOM 0 H MET B 66 -7.029 -2.271 4.773 1.00 0.00 H new ATOM 0 HA MET B 66 -7.961 -4.103 2.860 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.236 -1.767 3.047 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.457 -2.972 2.041 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.287 -1.877 1.666 1.00 0.00 H new ATOM 0 HG3 MET B 66 -6.898 -1.511 0.661 1.00 0.00 H new ATOM 0 HE1 MET B 66 -6.149 -4.712 -1.245 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.666 -3.063 -0.779 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.409 -4.418 0.347 1.00 0.00 H new ATOM 2063 N LEU B 67 -5.113 -4.847 4.283 1.00 0.00 N ATOM 2064 CA LEU B 67 -4.123 -5.898 4.454 1.00 0.00 C ATOM 2065 C LEU B 67 -4.799 -7.137 5.044 1.00 0.00 C ATOM 2066 O LEU B 67 -4.234 -8.229 5.017 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.940 -5.390 5.281 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.934 -4.508 4.540 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.615 -3.266 3.961 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.753 -4.145 5.443 1.00 0.00 C ATOM 0 H LEU B 67 -5.014 -4.059 4.923 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.706 -6.190 3.490 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.330 -4.828 6.130 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.409 -6.251 5.686 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.535 -5.077 3.701 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.877 -2.656 3.439 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.394 -3.571 3.262 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.060 -2.685 4.769 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.053 -3.518 4.892 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.116 -3.603 6.316 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.248 -5.056 5.765 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.999 -6.927 5.564 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.758 -8.014 6.160 1.00 0.00 C ATOM 2084 C LYS B 68 -7.863 -8.448 5.194 1.00 0.00 C ATOM 2085 O LYS B 68 -8.228 -9.621 5.150 1.00 0.00 O ATOM 2086 CB LYS B 68 -7.273 -7.612 7.543 1.00 0.00 C ATOM 2087 CG LYS B 68 -6.304 -8.058 8.640 1.00 0.00 C ATOM 2088 CD LYS B 68 -6.993 -8.995 9.634 1.00 0.00 C ATOM 2089 CE LYS B 68 -5.999 -9.525 10.668 1.00 0.00 C ATOM 2090 NZ LYS B 68 -6.698 -10.327 11.696 1.00 0.00 N ATOM 0 H LYS B 68 -6.465 -6.020 5.585 1.00 0.00 H new ATOM 0 HA LYS B 68 -6.118 -8.881 6.323 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -7.404 -6.531 7.586 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -8.252 -8.059 7.714 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -5.449 -8.564 8.191 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -5.918 -7.185 9.166 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -7.800 -8.465 10.139 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -7.446 -9.830 9.099 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -5.243 -10.135 10.174 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -5.478 -8.692 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -6.008 -10.679 12.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -7.403 -9.734 12.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -7.175 -11.132 11.243 1.00 0.00 H new ATOM 2104 N ASN B 69 -8.364 -7.477 4.444 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.420 -7.744 3.482 1.00 0.00 C ATOM 2106 C ASN B 69 -10.655 -8.267 4.219 1.00 0.00 C ATOM 2107 O ASN B 69 -11.604 -7.521 4.453 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.987 -8.807 2.471 1.00 0.00 C ATOM 2109 CG ASN B 69 -10.173 -9.274 1.624 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.704 -10.358 1.798 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -10.556 -8.397 0.701 1.00 0.00 N ATOM 0 H ASN B 69 -8.058 -6.505 4.483 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.641 -6.815 2.956 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -8.210 -8.402 1.823 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.553 -9.658 2.996 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -11.339 -8.614 0.085 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -10.067 -7.507 0.609 1.00 0.00 H new