USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 698 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= 0.575 K(o=1,f=-2.5!) USER MOD Set 1.2: A 88 GLN : amide:sc= 0.444 K(o=1,f=-3.8!) USER MOD Set 2.1: A 44 MET CE :methyl -174:sc= -0.429 (180deg=-0.568) USER MOD Set 2.2: A 55 MET CE :methyl 140:sc= -0.0137 (180deg=-0.875) USER MOD Set 3.1: A 28 SER OG : rot -110:sc= 0.337 USER MOD Set 3.2: A 47 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 19 ASN : amide:sc= 1.79 K(o=2.9,f=-2.6) USER MOD Set 4.2: A 31 GLN : amide:sc= 1.1 K(o=2.9,f=-0.19) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 21 LYS NZ :NH3+ -145:sc= 1.06 (180deg=0.116) USER MOD Single : A 25 GLN : amide:sc= 1.14 K(o=1.1,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.215 K(o=-0.21,f=-1.2) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.741 USER MOD Single : A 41 SER OG : rot -127:sc= 1.42 USER MOD Single : A 42 LYS NZ :NH3+ -146:sc= -0.19 (180deg=-0.828!) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0253) USER MOD Single : A 48 CYS SG : rot -66:sc= -2.34 USER MOD Single : A 51 GLN : amide:sc= -0.0174 K(o=-0.017,f=-0.52) USER MOD Single : A 54 SER OG : rot 180:sc= 0.00822 USER MOD Single : A 65 GLN : amide:sc= -0.0618 X(o=-0.062,f=-0.077) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 75 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.34) USER MOD Single : A 78 MET CE :methyl -107:sc= -0.621 (180deg=-1.4) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.75) USER MOD Single : A 90 GLN : amide:sc= 0.129 K(o=0.13,f=-3.1!) USER MOD Single : A 91 THR OG1 : rot -72:sc= 0.169 USER MOD Single : B 357 ASN :FLIP amide:sc= 0.736 F(o=-0.41,f=0.74) USER MOD Single : B 358 ASN : amide:sc=-0.000257 X(o=-0.00026,f=-0.16) USER MOD Single : B 365 SER OG : rot 180:sc= 0 USER MOD Single : B 367 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 16 -6.836 15.828 12.441 1.00 10.00 N ATOM 2 CA ASP A 16 -7.028 14.460 12.976 1.00 10.00 C ATOM 3 C ASP A 16 -6.487 13.431 12.000 1.00 10.00 C ATOM 4 O ASP A 16 -5.957 13.785 10.946 1.00 10.00 O ATOM 5 CB ASP A 16 -8.509 14.198 13.258 1.00 10.00 C ATOM 6 CG ASP A 16 -8.916 14.665 14.637 1.00 10.00 C ATOM 7 OD1 ASP A 16 -8.935 13.835 15.569 1.00 10.00 O ATOM 8 OD2 ASP A 16 -9.199 15.868 14.804 1.00 10.00 O ATOM 0 HA ASP A 16 -6.477 14.375 13.913 1.00 10.00 H new ATOM 0 HB2 ASP A 16 -9.116 14.707 12.509 1.00 10.00 H new ATOM 0 HB3 ASP A 16 -8.713 13.132 13.162 1.00 10.00 H new ATOM 13 N HIS A 17 -6.618 12.158 12.355 1.00 10.00 N ATOM 14 CA HIS A 17 -6.137 11.069 11.513 1.00 10.00 C ATOM 15 C HIS A 17 -7.120 10.774 10.384 1.00 10.00 C ATOM 16 O HIS A 17 -8.300 11.124 10.466 1.00 10.00 O ATOM 17 CB HIS A 17 -5.926 9.802 12.352 1.00 10.00 C ATOM 18 CG HIS A 17 -4.821 9.908 13.359 1.00 10.00 C ATOM 19 ND1 HIS A 17 -5.034 10.454 14.601 1.00 10.00 N ATOM 20 CD2 HIS A 17 -3.524 9.520 13.264 1.00 10.00 C ATOM 21 CE1 HIS A 17 -3.873 10.388 15.232 1.00 10.00 C ATOM 22 NE2 HIS A 17 -2.928 9.827 14.462 1.00 10.00 N ATOM 0 H HIS A 17 -7.056 11.854 13.225 1.00 10.00 H new ATOM 0 HA HIS A 17 -5.187 11.378 11.077 1.00 10.00 H new ATOM 0 HB2 HIS A 17 -6.854 9.565 12.872 1.00 10.00 H new ATOM 0 HB3 HIS A 17 -5.714 8.968 11.683 1.00 10.00 H new ATOM 0 HD2 HIS A 17 -3.051 9.058 12.410 1.00 10.00 H new ATOM 0 HE1 HIS A 17 -3.707 10.741 16.239 1.00 10.00 H new ATOM 0 HE2 HIS A 17 -1.955 9.661 14.718 1.00 10.00 H new ATOM 30 N ILE A 18 -6.624 10.134 9.337 1.00 10.00 N ATOM 31 CA ILE A 18 -7.442 9.769 8.190 1.00 10.00 C ATOM 32 C ILE A 18 -7.516 8.247 8.088 1.00 10.00 C ATOM 33 O ILE A 18 -6.515 7.558 8.300 1.00 10.00 O ATOM 34 CB ILE A 18 -6.885 10.375 6.875 1.00 10.00 C ATOM 35 CG1 ILE A 18 -7.773 9.995 5.687 1.00 10.00 C ATOM 36 CG2 ILE A 18 -5.444 9.935 6.634 1.00 10.00 C ATOM 37 CD1 ILE A 18 -7.339 10.620 4.380 1.00 10.00 C ATOM 0 H ILE A 18 -5.647 9.853 9.258 1.00 10.00 H new ATOM 0 HA ILE A 18 -8.443 10.176 8.335 1.00 10.00 H new ATOM 0 HB ILE A 18 -6.891 11.460 6.976 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -7.775 8.910 5.578 1.00 10.00 H new ATOM 0 HG13 ILE A 18 -8.799 10.296 5.901 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -5.080 10.375 5.706 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -4.819 10.267 7.463 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -5.403 8.848 6.561 1.00 10.00 H new ATOM 0 HD11 ILE A 18 -8.015 10.306 3.584 1.00 10.00 H new ATOM 0 HD12 ILE A 18 -7.365 11.706 4.470 1.00 10.00 H new ATOM 0 HD13 ILE A 18 -6.325 10.299 4.142 1.00 10.00 H new ATOM 49 N ASN A 19 -8.696 7.724 7.792 1.00 10.00 N ATOM 50 CA ASN A 19 -8.880 6.283 7.695 1.00 10.00 C ATOM 51 C ASN A 19 -8.911 5.818 6.246 1.00 10.00 C ATOM 52 O ASN A 19 -9.838 6.134 5.496 1.00 10.00 O ATOM 53 CB ASN A 19 -10.170 5.855 8.400 1.00 10.00 C ATOM 54 CG ASN A 19 -10.266 6.381 9.817 1.00 10.00 C ATOM 55 OD1 ASN A 19 -9.809 5.741 10.767 1.00 10.00 O ATOM 56 ND2 ASN A 19 -10.869 7.548 9.974 1.00 10.00 N ATOM 0 H ASN A 19 -9.538 8.273 7.615 1.00 10.00 H new ATOM 0 HA ASN A 19 -8.027 5.815 8.187 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -11.027 6.209 7.827 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -10.226 4.767 8.417 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -10.969 7.949 10.907 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -11.234 8.047 9.163 1.00 10.00 H new ATOM 63 N LEU A 20 -7.887 5.075 5.862 1.00 10.00 N ATOM 64 CA LEU A 20 -7.787 4.530 4.518 1.00 10.00 C ATOM 65 C LEU A 20 -8.023 3.024 4.566 1.00 10.00 C ATOM 66 O LEU A 20 -7.518 2.344 5.457 1.00 10.00 O ATOM 67 CB LEU A 20 -6.413 4.828 3.915 1.00 10.00 C ATOM 68 CG LEU A 20 -6.081 6.312 3.742 1.00 10.00 C ATOM 69 CD1 LEU A 20 -4.643 6.486 3.277 1.00 10.00 C ATOM 70 CD2 LEU A 20 -7.040 6.961 2.756 1.00 10.00 C ATOM 0 H LEU A 20 -7.104 4.833 6.470 1.00 10.00 H new ATOM 0 HA LEU A 20 -8.543 4.998 3.888 1.00 10.00 H new ATOM 0 HB2 LEU A 20 -5.651 4.374 4.548 1.00 10.00 H new ATOM 0 HB3 LEU A 20 -6.349 4.343 2.941 1.00 10.00 H new ATOM 0 HG LEU A 20 -6.193 6.804 4.708 1.00 10.00 H new ATOM 0 HD11 LEU A 20 -4.425 7.547 3.159 1.00 10.00 H new ATOM 0 HD12 LEU A 20 -3.967 6.056 4.016 1.00 10.00 H new ATOM 0 HD13 LEU A 20 -4.506 5.979 2.322 1.00 10.00 H new ATOM 0 HD21 LEU A 20 -6.789 8.016 2.645 1.00 10.00 H new ATOM 0 HD22 LEU A 20 -6.958 6.465 1.789 1.00 10.00 H new ATOM 0 HD23 LEU A 20 -8.061 6.868 3.126 1.00 10.00 H new ATOM 82 N LYS A 21 -8.786 2.504 3.619 1.00 10.00 N ATOM 83 CA LYS A 21 -9.085 1.078 3.594 1.00 10.00 C ATOM 84 C LYS A 21 -8.296 0.365 2.506 1.00 10.00 C ATOM 85 O LYS A 21 -8.285 0.792 1.353 1.00 10.00 O ATOM 86 CB LYS A 21 -10.581 0.857 3.366 1.00 10.00 C ATOM 87 CG LYS A 21 -11.459 1.464 4.443 1.00 10.00 C ATOM 88 CD LYS A 21 -12.932 1.371 4.078 1.00 10.00 C ATOM 89 CE LYS A 21 -13.805 2.046 5.123 1.00 10.00 C ATOM 90 NZ LYS A 21 -15.232 2.097 4.712 1.00 10.00 N ATOM 0 H LYS A 21 -9.208 3.041 2.862 1.00 10.00 H new ATOM 0 HA LYS A 21 -8.795 0.662 4.559 1.00 10.00 H new ATOM 0 HB2 LYS A 21 -10.859 1.282 2.401 1.00 10.00 H new ATOM 0 HB3 LYS A 21 -10.777 -0.214 3.311 1.00 10.00 H new ATOM 0 HG2 LYS A 21 -11.284 0.951 5.389 1.00 10.00 H new ATOM 0 HG3 LYS A 21 -11.185 2.508 4.592 1.00 10.00 H new ATOM 0 HD2 LYS A 21 -13.098 1.837 3.107 1.00 10.00 H new ATOM 0 HD3 LYS A 21 -13.220 0.324 3.983 1.00 10.00 H new ATOM 0 HE2 LYS A 21 -13.719 1.509 6.068 1.00 10.00 H new ATOM 0 HE3 LYS A 21 -13.442 3.059 5.298 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 -15.661 2.980 5.055 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 -15.296 2.062 3.675 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 -15.739 1.285 5.118 1.00 10.00 H new ATOM 104 N VAL A 22 -7.629 -0.713 2.879 1.00 10.00 N ATOM 105 CA VAL A 22 -6.862 -1.501 1.927 1.00 10.00 C ATOM 106 C VAL A 22 -7.661 -2.747 1.556 1.00 10.00 C ATOM 107 O VAL A 22 -7.954 -3.584 2.411 1.00 10.00 O ATOM 108 CB VAL A 22 -5.476 -1.894 2.494 1.00 10.00 C ATOM 109 CG1 VAL A 22 -4.834 -3.007 1.677 1.00 10.00 C ATOM 110 CG2 VAL A 22 -4.561 -0.679 2.546 1.00 10.00 C ATOM 0 H VAL A 22 -7.602 -1.064 3.836 1.00 10.00 H new ATOM 0 HA VAL A 22 -6.684 -0.896 1.038 1.00 10.00 H new ATOM 0 HB VAL A 22 -5.625 -2.269 3.507 1.00 10.00 H new ATOM 0 HG11 VAL A 22 -3.863 -3.257 2.103 1.00 10.00 H new ATOM 0 HG12 VAL A 22 -5.476 -3.888 1.694 1.00 10.00 H new ATOM 0 HG13 VAL A 22 -4.703 -2.674 0.647 1.00 10.00 H new ATOM 0 HG21 VAL A 22 -3.590 -0.971 2.947 1.00 10.00 H new ATOM 0 HG22 VAL A 22 -4.432 -0.277 1.541 1.00 10.00 H new ATOM 0 HG23 VAL A 22 -5.004 0.083 3.188 1.00 10.00 H new ATOM 120 N ALA A 23 -8.030 -2.852 0.286 1.00 10.00 N ATOM 121 CA ALA A 23 -8.819 -3.980 -0.186 1.00 10.00 C ATOM 122 C ALA A 23 -7.942 -5.165 -0.570 1.00 10.00 C ATOM 123 O ALA A 23 -7.267 -5.145 -1.601 1.00 10.00 O ATOM 124 CB ALA A 23 -9.685 -3.560 -1.365 1.00 10.00 C ATOM 0 H ALA A 23 -7.795 -2.170 -0.435 1.00 10.00 H new ATOM 0 HA ALA A 23 -9.461 -4.299 0.635 1.00 10.00 H new ATOM 0 HB1 ALA A 23 -10.270 -4.413 -1.709 1.00 10.00 H new ATOM 0 HB2 ALA A 23 -10.357 -2.760 -1.056 1.00 10.00 H new ATOM 0 HB3 ALA A 23 -9.049 -3.206 -2.176 1.00 10.00 H new ATOM 130 N GLY A 24 -7.944 -6.187 0.273 1.00 10.00 N ATOM 131 CA GLY A 24 -7.168 -7.376 -0.006 1.00 10.00 C ATOM 132 C GLY A 24 -7.916 -8.317 -0.927 1.00 10.00 C ATOM 133 O GLY A 24 -9.147 -8.318 -0.945 1.00 10.00 O ATOM 0 H GLY A 24 -8.470 -6.213 1.146 1.00 10.00 H new ATOM 0 HA2 GLY A 24 -6.219 -7.095 -0.462 1.00 10.00 H new ATOM 0 HA3 GLY A 24 -6.934 -7.887 0.928 1.00 10.00 H new ATOM 137 N GLN A 25 -7.185 -9.128 -1.680 1.00 10.00 N ATOM 138 CA GLN A 25 -7.800 -10.069 -2.614 1.00 10.00 C ATOM 139 C GLN A 25 -8.619 -11.124 -1.876 1.00 10.00 C ATOM 140 O GLN A 25 -9.553 -11.702 -2.430 1.00 10.00 O ATOM 141 CB GLN A 25 -6.731 -10.743 -3.476 1.00 10.00 C ATOM 142 CG GLN A 25 -6.037 -9.793 -4.444 1.00 10.00 C ATOM 143 CD GLN A 25 -6.945 -9.332 -5.571 1.00 10.00 C ATOM 144 OE1 GLN A 25 -7.827 -10.068 -6.017 1.00 10.00 O ATOM 145 NE2 GLN A 25 -6.739 -8.107 -6.031 1.00 10.00 N ATOM 0 H GLN A 25 -6.165 -9.155 -1.664 1.00 10.00 H new ATOM 0 HA GLN A 25 -8.473 -9.505 -3.260 1.00 10.00 H new ATOM 0 HB2 GLN A 25 -5.983 -11.194 -2.824 1.00 10.00 H new ATOM 0 HB3 GLN A 25 -7.191 -11.553 -4.042 1.00 10.00 H new ATOM 0 HG2 GLN A 25 -5.676 -8.923 -3.896 1.00 10.00 H new ATOM 0 HG3 GLN A 25 -5.163 -10.288 -4.867 1.00 10.00 H new ATOM 0 HE21 GLN A 25 -5.997 -7.531 -5.633 1.00 10.00 H new ATOM 0 HE22 GLN A 25 -7.322 -7.740 -6.783 1.00 10.00 H new ATOM 154 N ASP A 26 -8.266 -11.361 -0.620 1.00 10.00 N ATOM 155 CA ASP A 26 -8.960 -12.341 0.211 1.00 10.00 C ATOM 156 C ASP A 26 -10.141 -11.707 0.943 1.00 10.00 C ATOM 157 O ASP A 26 -10.809 -12.358 1.748 1.00 10.00 O ATOM 158 CB ASP A 26 -7.993 -12.965 1.219 1.00 10.00 C ATOM 159 CG ASP A 26 -7.084 -11.937 1.857 1.00 10.00 C ATOM 160 OD1 ASP A 26 -5.992 -11.684 1.305 1.00 10.00 O ATOM 161 OD2 ASP A 26 -7.462 -11.368 2.896 1.00 10.00 O ATOM 0 H ASP A 26 -7.497 -10.885 -0.149 1.00 10.00 H new ATOM 0 HA ASP A 26 -9.345 -13.122 -0.445 1.00 10.00 H new ATOM 0 HB2 ASP A 26 -8.562 -13.476 1.996 1.00 10.00 H new ATOM 0 HB3 ASP A 26 -7.388 -13.721 0.718 1.00 10.00 H new ATOM 166 N GLY A 27 -10.395 -10.437 0.661 1.00 10.00 N ATOM 167 CA GLY A 27 -11.503 -9.748 1.291 1.00 10.00 C ATOM 168 C GLY A 27 -11.135 -9.138 2.630 1.00 10.00 C ATOM 169 O GLY A 27 -11.989 -8.976 3.503 1.00 10.00 O ATOM 0 H GLY A 27 -9.854 -9.871 0.007 1.00 10.00 H new ATOM 0 HA2 GLY A 27 -11.861 -8.962 0.626 1.00 10.00 H new ATOM 0 HA3 GLY A 27 -12.327 -10.448 1.430 1.00 10.00 H new ATOM 173 N SER A 28 -9.865 -8.811 2.804 1.00 10.00 N ATOM 174 CA SER A 28 -9.403 -8.201 4.036 1.00 10.00 C ATOM 175 C SER A 28 -9.762 -6.721 4.037 1.00 10.00 C ATOM 176 O SER A 28 -9.587 -6.038 3.023 1.00 10.00 O ATOM 177 CB SER A 28 -7.890 -8.377 4.167 1.00 10.00 C ATOM 178 OG SER A 28 -7.321 -8.781 2.930 1.00 10.00 O ATOM 0 H SER A 28 -9.136 -8.959 2.106 1.00 10.00 H new ATOM 0 HA SER A 28 -9.887 -8.686 4.884 1.00 10.00 H new ATOM 0 HB2 SER A 28 -7.437 -7.440 4.492 1.00 10.00 H new ATOM 0 HB3 SER A 28 -7.671 -9.120 4.934 1.00 10.00 H new ATOM 0 HG SER A 28 -7.023 -9.712 2.996 1.00 10.00 H new ATOM 184 N VAL A 29 -10.291 -6.225 5.147 1.00 10.00 N ATOM 185 CA VAL A 29 -10.654 -4.816 5.229 1.00 10.00 C ATOM 186 C VAL A 29 -9.873 -4.137 6.342 1.00 10.00 C ATOM 187 O VAL A 29 -10.427 -3.797 7.388 1.00 10.00 O ATOM 188 CB VAL A 29 -12.166 -4.602 5.467 1.00 10.00 C ATOM 189 CG1 VAL A 29 -12.579 -3.205 5.026 1.00 10.00 C ATOM 190 CG2 VAL A 29 -12.993 -5.653 4.743 1.00 10.00 C ATOM 0 H VAL A 29 -10.476 -6.767 5.991 1.00 10.00 H new ATOM 0 HA VAL A 29 -10.404 -4.373 4.265 1.00 10.00 H new ATOM 0 HB VAL A 29 -12.356 -4.705 6.535 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -13.646 -3.069 5.200 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -12.021 -2.463 5.598 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -12.366 -3.081 3.964 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -14.052 -5.475 4.930 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -12.799 -5.594 3.672 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -12.722 -6.644 5.107 1.00 10.00 H new ATOM 200 N VAL A 30 -8.581 -3.953 6.122 1.00 10.00 N ATOM 201 CA VAL A 30 -7.739 -3.312 7.117 1.00 10.00 C ATOM 202 C VAL A 30 -7.931 -1.799 7.067 1.00 10.00 C ATOM 203 O VAL A 30 -7.965 -1.196 5.986 1.00 10.00 O ATOM 204 CB VAL A 30 -6.246 -3.678 6.944 1.00 10.00 C ATOM 205 CG1 VAL A 30 -6.040 -5.171 7.148 1.00 10.00 C ATOM 206 CG2 VAL A 30 -5.726 -3.253 5.582 1.00 10.00 C ATOM 0 H VAL A 30 -8.096 -4.236 5.270 1.00 10.00 H new ATOM 0 HA VAL A 30 -8.045 -3.682 8.096 1.00 10.00 H new ATOM 0 HB VAL A 30 -5.679 -3.137 7.701 1.00 10.00 H new ATOM 0 HG11 VAL A 30 -4.985 -5.413 7.023 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -6.359 -5.448 8.153 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -6.628 -5.723 6.415 1.00 10.00 H new ATOM 0 HG21 VAL A 30 -4.674 -3.525 5.493 1.00 10.00 H new ATOM 0 HG22 VAL A 30 -6.298 -3.755 4.801 1.00 10.00 H new ATOM 0 HG23 VAL A 30 -5.832 -2.174 5.473 1.00 10.00 H new ATOM 216 N GLN A 31 -8.075 -1.200 8.237 1.00 10.00 N ATOM 217 CA GLN A 31 -8.290 0.232 8.345 1.00 10.00 C ATOM 218 C GLN A 31 -7.010 0.943 8.762 1.00 10.00 C ATOM 219 O GLN A 31 -6.552 0.814 9.898 1.00 10.00 O ATOM 220 CB GLN A 31 -9.402 0.505 9.359 1.00 10.00 C ATOM 221 CG GLN A 31 -9.849 1.955 9.422 1.00 10.00 C ATOM 222 CD GLN A 31 -11.048 2.142 10.332 1.00 10.00 C ATOM 223 OE1 GLN A 31 -11.864 1.237 10.493 1.00 10.00 O ATOM 224 NE2 GLN A 31 -11.168 3.315 10.931 1.00 10.00 N ATOM 0 H GLN A 31 -8.046 -1.688 9.132 1.00 10.00 H new ATOM 0 HA GLN A 31 -8.586 0.617 7.369 1.00 10.00 H new ATOM 0 HB2 GLN A 31 -10.262 -0.118 9.113 1.00 10.00 H new ATOM 0 HB3 GLN A 31 -9.059 0.200 10.348 1.00 10.00 H new ATOM 0 HG2 GLN A 31 -9.025 2.573 9.777 1.00 10.00 H new ATOM 0 HG3 GLN A 31 -10.098 2.301 8.419 1.00 10.00 H new ATOM 0 HE21 GLN A 31 -10.470 4.042 10.773 1.00 10.00 H new ATOM 0 HE22 GLN A 31 -11.958 3.493 11.551 1.00 10.00 H new ATOM 233 N PHE A 32 -6.432 1.683 7.835 1.00 10.00 N ATOM 234 CA PHE A 32 -5.213 2.421 8.100 1.00 10.00 C ATOM 235 C PHE A 32 -5.543 3.806 8.633 1.00 10.00 C ATOM 236 O PHE A 32 -5.969 4.684 7.888 1.00 10.00 O ATOM 237 CB PHE A 32 -4.364 2.534 6.833 1.00 10.00 C ATOM 238 CG PHE A 32 -3.374 1.419 6.685 1.00 10.00 C ATOM 239 CD1 PHE A 32 -3.668 0.310 5.911 1.00 10.00 C ATOM 240 CD2 PHE A 32 -2.144 1.482 7.321 1.00 10.00 C ATOM 241 CE1 PHE A 32 -2.756 -0.719 5.778 1.00 10.00 C ATOM 242 CE2 PHE A 32 -1.231 0.458 7.191 1.00 10.00 C ATOM 243 CZ PHE A 32 -1.534 -0.644 6.417 1.00 10.00 C ATOM 0 H PHE A 32 -6.790 1.789 6.886 1.00 10.00 H new ATOM 0 HA PHE A 32 -4.640 1.879 8.853 1.00 10.00 H new ATOM 0 HB2 PHE A 32 -5.021 2.546 5.963 1.00 10.00 H new ATOM 0 HB3 PHE A 32 -3.832 3.485 6.844 1.00 10.00 H new ATOM 0 HD1 PHE A 32 -4.620 0.248 5.406 1.00 10.00 H new ATOM 0 HD2 PHE A 32 -1.899 2.343 7.925 1.00 10.00 H new ATOM 0 HE1 PHE A 32 -2.998 -1.581 5.175 1.00 10.00 H new ATOM 0 HE2 PHE A 32 -0.278 0.518 7.695 1.00 10.00 H new ATOM 0 HZ PHE A 32 -0.818 -1.445 6.311 1.00 10.00 H new ATOM 253 N LYS A 33 -5.346 3.987 9.925 1.00 10.00 N ATOM 254 CA LYS A 33 -5.621 5.254 10.574 1.00 10.00 C ATOM 255 C LYS A 33 -4.316 6.015 10.785 1.00 10.00 C ATOM 256 O LYS A 33 -3.718 5.970 11.859 1.00 10.00 O ATOM 257 CB LYS A 33 -6.328 5.003 11.907 1.00 10.00 C ATOM 258 CG LYS A 33 -6.996 6.231 12.498 1.00 10.00 C ATOM 259 CD LYS A 33 -7.580 5.921 13.866 1.00 10.00 C ATOM 260 CE LYS A 33 -8.526 7.012 14.330 1.00 10.00 C ATOM 261 NZ LYS A 33 -8.941 6.811 15.742 1.00 10.00 N ATOM 0 H LYS A 33 -4.993 3.264 10.551 1.00 10.00 H new ATOM 0 HA LYS A 33 -6.274 5.858 9.944 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -7.080 4.227 11.766 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -5.602 4.618 12.623 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -6.271 7.040 12.582 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -7.785 6.578 11.831 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -8.111 4.970 13.828 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -6.773 5.807 14.589 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -8.041 7.983 14.227 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -9.408 7.027 13.689 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -9.587 7.575 16.026 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -9.425 5.895 15.834 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -8.101 6.822 16.356 1.00 10.00 H new ATOM 275 N ILE A 34 -3.873 6.699 9.745 1.00 10.00 N ATOM 276 CA ILE A 34 -2.624 7.444 9.796 1.00 10.00 C ATOM 277 C ILE A 34 -2.865 8.939 9.649 1.00 10.00 C ATOM 278 O ILE A 34 -4.006 9.388 9.565 1.00 10.00 O ATOM 279 CB ILE A 34 -1.653 6.983 8.684 1.00 10.00 C ATOM 280 CG1 ILE A 34 -2.306 7.135 7.304 1.00 10.00 C ATOM 281 CG2 ILE A 34 -1.233 5.539 8.915 1.00 10.00 C ATOM 282 CD1 ILE A 34 -1.328 7.033 6.151 1.00 10.00 C ATOM 0 H ILE A 34 -4.361 6.755 8.851 1.00 10.00 H new ATOM 0 HA ILE A 34 -2.178 7.246 10.771 1.00 10.00 H new ATOM 0 HB ILE A 34 -0.765 7.614 8.717 1.00 10.00 H new ATOM 0 HG12 ILE A 34 -3.072 6.368 7.188 1.00 10.00 H new ATOM 0 HG13 ILE A 34 -2.811 8.100 7.256 1.00 10.00 H new ATOM 0 HG21 ILE A 34 -0.550 5.228 8.125 1.00 10.00 H new ATOM 0 HG22 ILE A 34 -0.734 5.455 9.880 1.00 10.00 H new ATOM 0 HG23 ILE A 34 -2.114 4.898 8.906 1.00 10.00 H new ATOM 0 HD11 ILE A 34 -1.863 7.150 5.209 1.00 10.00 H new ATOM 0 HD12 ILE A 34 -0.576 7.817 6.241 1.00 10.00 H new ATOM 0 HD13 ILE A 34 -0.840 6.058 6.173 1.00 10.00 H new ATOM 294 N LYS A 35 -1.785 9.705 9.623 1.00 10.00 N ATOM 295 CA LYS A 35 -1.879 11.145 9.467 1.00 10.00 C ATOM 296 C LYS A 35 -1.802 11.489 7.984 1.00 10.00 C ATOM 297 O LYS A 35 -1.237 10.730 7.196 1.00 10.00 O ATOM 298 CB LYS A 35 -0.770 11.848 10.259 1.00 10.00 C ATOM 299 CG LYS A 35 -0.782 11.502 11.742 1.00 10.00 C ATOM 300 CD LYS A 35 0.122 12.418 12.554 1.00 10.00 C ATOM 301 CE LYS A 35 0.116 12.035 14.027 1.00 10.00 C ATOM 302 NZ LYS A 35 0.772 13.061 14.882 1.00 10.00 N ATOM 0 H LYS A 35 -0.832 9.351 9.708 1.00 10.00 H new ATOM 0 HA LYS A 35 -2.832 11.495 9.864 1.00 10.00 H new ATOM 0 HB2 LYS A 35 0.197 11.576 9.837 1.00 10.00 H new ATOM 0 HB3 LYS A 35 -0.877 12.927 10.143 1.00 10.00 H new ATOM 0 HG2 LYS A 35 -1.802 11.572 12.121 1.00 10.00 H new ATOM 0 HG3 LYS A 35 -0.462 10.468 11.875 1.00 10.00 H new ATOM 0 HD2 LYS A 35 1.139 12.366 12.166 1.00 10.00 H new ATOM 0 HD3 LYS A 35 -0.209 13.451 12.443 1.00 10.00 H new ATOM 0 HE2 LYS A 35 -0.913 11.893 14.359 1.00 10.00 H new ATOM 0 HE3 LYS A 35 0.626 11.080 14.154 1.00 10.00 H new ATOM 0 HZ1 LYS A 35 0.743 12.755 15.876 1.00 10.00 H new ATOM 0 HZ2 LYS A 35 1.762 13.179 14.585 1.00 10.00 H new ATOM 0 HZ3 LYS A 35 0.271 13.967 14.784 1.00 10.00 H new ATOM 316 N ARG A 36 -2.349 12.632 7.602 1.00 10.00 N ATOM 317 CA ARG A 36 -2.362 13.036 6.198 1.00 10.00 C ATOM 318 C ARG A 36 -0.966 13.362 5.667 1.00 10.00 C ATOM 319 O ARG A 36 -0.772 13.482 4.456 1.00 10.00 O ATOM 320 CB ARG A 36 -3.310 14.220 5.993 1.00 10.00 C ATOM 321 CG ARG A 36 -4.674 13.801 5.461 1.00 10.00 C ATOM 322 CD ARG A 36 -5.521 14.992 5.043 1.00 10.00 C ATOM 323 NE ARG A 36 -6.520 14.610 4.042 1.00 10.00 N ATOM 324 CZ ARG A 36 -7.795 14.336 4.312 1.00 10.00 C ATOM 325 NH1 ARG A 36 -8.261 14.455 5.546 1.00 10.00 N ATOM 326 NH2 ARG A 36 -8.604 13.948 3.336 1.00 10.00 N ATOM 0 H ARG A 36 -2.789 13.297 8.239 1.00 10.00 H new ATOM 0 HA ARG A 36 -2.725 12.184 5.623 1.00 10.00 H new ATOM 0 HB2 ARG A 36 -3.440 14.743 6.940 1.00 10.00 H new ATOM 0 HB3 ARG A 36 -2.856 14.927 5.298 1.00 10.00 H new ATOM 0 HG2 ARG A 36 -4.540 13.136 4.608 1.00 10.00 H new ATOM 0 HG3 ARG A 36 -5.202 13.234 6.228 1.00 10.00 H new ATOM 0 HD2 ARG A 36 -6.020 15.410 5.917 1.00 10.00 H new ATOM 0 HD3 ARG A 36 -4.878 15.774 4.638 1.00 10.00 H new ATOM 0 HE ARG A 36 -6.218 14.550 3.070 1.00 10.00 H new ATOM 0 HH11 ARG A 36 -7.642 14.758 6.298 1.00 10.00 H new ATOM 0 HH12 ARG A 36 -9.239 14.243 5.745 1.00 10.00 H new ATOM 0 HH21 ARG A 36 -8.249 13.861 2.384 1.00 10.00 H new ATOM 0 HH22 ARG A 36 -9.581 13.737 3.537 1.00 10.00 H new ATOM 340 N HIS A 37 0.006 13.484 6.562 1.00 10.00 N ATOM 341 CA HIS A 37 1.374 13.785 6.156 1.00 10.00 C ATOM 342 C HIS A 37 2.258 12.540 6.234 1.00 10.00 C ATOM 343 O HIS A 37 3.464 12.609 6.007 1.00 10.00 O ATOM 344 CB HIS A 37 1.965 14.916 7.010 1.00 10.00 C ATOM 345 CG HIS A 37 2.094 14.603 8.478 1.00 10.00 C ATOM 346 ND1 HIS A 37 3.072 13.763 8.955 1.00 10.00 N ATOM 347 CD2 HIS A 37 1.362 15.060 9.522 1.00 10.00 C ATOM 348 CE1 HIS A 37 2.918 13.732 10.266 1.00 10.00 C ATOM 349 NE2 HIS A 37 1.895 14.505 10.660 1.00 10.00 N ATOM 0 H HIS A 37 -0.125 13.380 7.568 1.00 10.00 H new ATOM 0 HA HIS A 37 1.345 14.118 5.118 1.00 10.00 H new ATOM 0 HB2 HIS A 37 2.951 15.169 6.620 1.00 10.00 H new ATOM 0 HB3 HIS A 37 1.340 15.802 6.896 1.00 10.00 H new ATOM 0 HD2 HIS A 37 0.519 15.733 9.470 1.00 10.00 H new ATOM 0 HE1 HIS A 37 3.538 13.156 10.937 1.00 10.00 H new ATOM 0 HE2 HIS A 37 1.575 14.652 11.617 1.00 10.00 H new ATOM 357 N THR A 38 1.650 11.404 6.547 1.00 10.00 N ATOM 358 CA THR A 38 2.383 10.153 6.656 1.00 10.00 C ATOM 359 C THR A 38 2.550 9.506 5.279 1.00 10.00 C ATOM 360 O THR A 38 1.565 9.211 4.603 1.00 10.00 O ATOM 361 CB THR A 38 1.664 9.184 7.616 1.00 10.00 C ATOM 362 OG1 THR A 38 1.332 9.877 8.827 1.00 10.00 O ATOM 363 CG2 THR A 38 2.535 7.977 7.941 1.00 10.00 C ATOM 0 H THR A 38 0.650 11.324 6.730 1.00 10.00 H new ATOM 0 HA THR A 38 3.371 10.372 7.060 1.00 10.00 H new ATOM 0 HB THR A 38 0.758 8.825 7.127 1.00 10.00 H new ATOM 0 HG1 THR A 38 1.174 9.227 9.543 1.00 10.00 H new ATOM 0 HG21 THR A 38 1.999 7.314 8.620 1.00 10.00 H new ATOM 0 HG22 THR A 38 2.772 7.441 7.022 1.00 10.00 H new ATOM 0 HG23 THR A 38 3.458 8.311 8.414 1.00 10.00 H new ATOM 371 N PRO A 39 3.806 9.303 4.841 1.00 10.00 N ATOM 372 CA PRO A 39 4.113 8.701 3.535 1.00 10.00 C ATOM 373 C PRO A 39 3.429 7.352 3.319 1.00 10.00 C ATOM 374 O PRO A 39 3.424 6.492 4.203 1.00 10.00 O ATOM 375 CB PRO A 39 5.631 8.519 3.576 1.00 10.00 C ATOM 376 CG PRO A 39 6.116 9.524 4.557 1.00 10.00 C ATOM 377 CD PRO A 39 5.031 9.656 5.586 1.00 10.00 C ATOM 0 HA PRO A 39 3.758 9.328 2.717 1.00 10.00 H new ATOM 0 HB2 PRO A 39 5.898 7.508 3.883 1.00 10.00 H new ATOM 0 HB3 PRO A 39 6.074 8.682 2.593 1.00 10.00 H new ATOM 0 HG2 PRO A 39 7.051 9.202 5.015 1.00 10.00 H new ATOM 0 HG3 PRO A 39 6.312 10.480 4.072 1.00 10.00 H new ATOM 0 HD2 PRO A 39 5.195 8.986 6.430 1.00 10.00 H new ATOM 0 HD3 PRO A 39 4.979 10.668 5.987 1.00 10.00 H new ATOM 385 N LEU A 40 2.880 7.164 2.121 1.00 10.00 N ATOM 386 CA LEU A 40 2.191 5.925 1.771 1.00 10.00 C ATOM 387 C LEU A 40 3.177 4.767 1.669 1.00 10.00 C ATOM 388 O LEU A 40 2.781 3.602 1.666 1.00 10.00 O ATOM 389 CB LEU A 40 1.425 6.089 0.456 1.00 10.00 C ATOM 390 CG LEU A 40 0.179 6.978 0.538 1.00 10.00 C ATOM 391 CD1 LEU A 40 -0.397 7.220 -0.848 1.00 10.00 C ATOM 392 CD2 LEU A 40 -0.871 6.351 1.447 1.00 10.00 C ATOM 0 H LEU A 40 2.899 7.858 1.373 1.00 10.00 H new ATOM 0 HA LEU A 40 1.477 5.699 2.563 1.00 10.00 H new ATOM 0 HB2 LEU A 40 2.101 6.505 -0.291 1.00 10.00 H new ATOM 0 HB3 LEU A 40 1.126 5.102 0.102 1.00 10.00 H new ATOM 0 HG LEU A 40 0.473 7.938 0.963 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -1.281 7.853 -0.769 1.00 10.00 H new ATOM 0 HD12 LEU A 40 0.349 7.714 -1.471 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -0.673 6.267 -1.299 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -1.747 6.998 1.491 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -1.159 5.377 1.052 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -0.459 6.229 2.449 1.00 10.00 H new ATOM 404 N SER A 41 4.460 5.098 1.591 1.00 10.00 N ATOM 405 CA SER A 41 5.512 4.099 1.508 1.00 10.00 C ATOM 406 C SER A 41 5.483 3.200 2.741 1.00 10.00 C ATOM 407 O SER A 41 5.520 1.975 2.634 1.00 10.00 O ATOM 408 CB SER A 41 6.861 4.805 1.396 1.00 10.00 C ATOM 409 OG SER A 41 6.676 6.212 1.319 1.00 10.00 O ATOM 0 H SER A 41 4.797 6.061 1.584 1.00 10.00 H new ATOM 0 HA SER A 41 5.356 3.475 0.628 1.00 10.00 H new ATOM 0 HB2 SER A 41 7.480 4.559 2.259 1.00 10.00 H new ATOM 0 HB3 SER A 41 7.392 4.452 0.512 1.00 10.00 H new ATOM 0 HG SER A 41 7.152 6.562 0.537 1.00 10.00 H new ATOM 415 N LYS A 42 5.372 3.823 3.910 1.00 10.00 N ATOM 416 CA LYS A 42 5.332 3.090 5.167 1.00 10.00 C ATOM 417 C LYS A 42 3.997 2.367 5.316 1.00 10.00 C ATOM 418 O LYS A 42 3.914 1.316 5.950 1.00 10.00 O ATOM 419 CB LYS A 42 5.572 4.040 6.343 1.00 10.00 C ATOM 420 CG LYS A 42 6.925 4.736 6.280 1.00 10.00 C ATOM 421 CD LYS A 42 7.218 5.532 7.542 1.00 10.00 C ATOM 422 CE LYS A 42 8.636 6.084 7.527 1.00 10.00 C ATOM 423 NZ LYS A 42 9.047 6.626 8.850 1.00 10.00 N ATOM 0 H LYS A 42 5.308 4.836 4.011 1.00 10.00 H new ATOM 0 HA LYS A 42 6.126 2.343 5.164 1.00 10.00 H new ATOM 0 HB2 LYS A 42 4.783 4.792 6.362 1.00 10.00 H new ATOM 0 HB3 LYS A 42 5.501 3.480 7.275 1.00 10.00 H new ATOM 0 HG2 LYS A 42 7.708 3.993 6.131 1.00 10.00 H new ATOM 0 HG3 LYS A 42 6.950 5.402 5.418 1.00 10.00 H new ATOM 0 HD2 LYS A 42 6.506 6.353 7.631 1.00 10.00 H new ATOM 0 HD3 LYS A 42 7.082 4.896 8.416 1.00 10.00 H new ATOM 0 HE2 LYS A 42 9.327 5.295 7.230 1.00 10.00 H new ATOM 0 HE3 LYS A 42 8.709 6.871 6.776 1.00 10.00 H new ATOM 0 HZ1 LYS A 42 9.676 7.442 8.710 1.00 10.00 H new ATOM 0 HZ2 LYS A 42 8.204 6.925 9.380 1.00 10.00 H new ATOM 0 HZ3 LYS A 42 9.549 5.890 9.386 1.00 10.00 H new ATOM 437 N LEU A 43 2.959 2.933 4.707 1.00 10.00 N ATOM 438 CA LEU A 43 1.628 2.339 4.745 1.00 10.00 C ATOM 439 C LEU A 43 1.642 1.005 4.007 1.00 10.00 C ATOM 440 O LEU A 43 1.133 -0.002 4.503 1.00 10.00 O ATOM 441 CB LEU A 43 0.606 3.291 4.109 1.00 10.00 C ATOM 442 CG LEU A 43 -0.838 2.778 4.046 1.00 10.00 C ATOM 443 CD1 LEU A 43 -1.811 3.908 4.341 1.00 10.00 C ATOM 444 CD2 LEU A 43 -1.139 2.175 2.680 1.00 10.00 C ATOM 0 H LEU A 43 3.015 3.805 4.180 1.00 10.00 H new ATOM 0 HA LEU A 43 1.341 2.168 5.782 1.00 10.00 H new ATOM 0 HB2 LEU A 43 0.614 4.227 4.667 1.00 10.00 H new ATOM 0 HB3 LEU A 43 0.934 3.521 3.095 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.956 2.000 4.801 1.00 10.00 H new ATOM 0 HD11 LEU A 43 -2.832 3.530 4.293 1.00 10.00 H new ATOM 0 HD12 LEU A 43 -1.617 4.304 5.338 1.00 10.00 H new ATOM 0 HD13 LEU A 43 -1.682 4.701 3.604 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -2.169 1.818 2.659 1.00 10.00 H new ATOM 0 HD22 LEU A 43 -1.002 2.934 1.909 1.00 10.00 H new ATOM 0 HD23 LEU A 43 -0.462 1.341 2.493 1.00 10.00 H new ATOM 456 N MET A 44 2.242 1.010 2.823 1.00 10.00 N ATOM 457 CA MET A 44 2.346 -0.194 2.008 1.00 10.00 C ATOM 458 C MET A 44 3.213 -1.224 2.713 1.00 10.00 C ATOM 459 O MET A 44 2.906 -2.418 2.715 1.00 10.00 O ATOM 460 CB MET A 44 2.938 0.135 0.635 1.00 10.00 C ATOM 461 CG MET A 44 2.031 0.989 -0.236 1.00 10.00 C ATOM 462 SD MET A 44 2.715 1.286 -1.876 1.00 10.00 S ATOM 463 CE MET A 44 4.111 2.339 -1.486 1.00 10.00 C ATOM 0 H MET A 44 2.666 1.838 2.404 1.00 10.00 H new ATOM 0 HA MET A 44 1.346 -0.604 1.866 1.00 10.00 H new ATOM 0 HB2 MET A 44 3.887 0.654 0.774 1.00 10.00 H new ATOM 0 HB3 MET A 44 3.157 -0.796 0.112 1.00 10.00 H new ATOM 0 HG2 MET A 44 1.063 0.498 -0.335 1.00 10.00 H new ATOM 0 HG3 MET A 44 1.855 1.945 0.258 1.00 10.00 H new ATOM 0 HE1 MET A 44 4.570 2.692 -2.410 1.00 10.00 H new ATOM 0 HE2 MET A 44 3.770 3.193 -0.900 1.00 10.00 H new ATOM 0 HE3 MET A 44 4.844 1.773 -0.910 1.00 10.00 H new ATOM 473 N LYS A 45 4.293 -0.744 3.320 1.00 10.00 N ATOM 474 CA LYS A 45 5.217 -1.602 4.047 1.00 10.00 C ATOM 475 C LYS A 45 4.505 -2.334 5.178 1.00 10.00 C ATOM 476 O LYS A 45 4.717 -3.526 5.377 1.00 10.00 O ATOM 477 CB LYS A 45 6.380 -0.779 4.614 1.00 10.00 C ATOM 478 CG LYS A 45 7.427 -0.410 3.579 1.00 10.00 C ATOM 479 CD LYS A 45 8.216 -1.630 3.131 1.00 10.00 C ATOM 480 CE LYS A 45 9.122 -1.307 1.955 1.00 10.00 C ATOM 481 NZ LYS A 45 9.939 -2.479 1.552 1.00 10.00 N ATOM 0 H LYS A 45 4.550 0.243 3.322 1.00 10.00 H new ATOM 0 HA LYS A 45 5.610 -2.340 3.347 1.00 10.00 H new ATOM 0 HB2 LYS A 45 5.984 0.134 5.059 1.00 10.00 H new ATOM 0 HB3 LYS A 45 6.857 -1.344 5.415 1.00 10.00 H new ATOM 0 HG2 LYS A 45 6.943 0.049 2.717 1.00 10.00 H new ATOM 0 HG3 LYS A 45 8.107 0.333 3.996 1.00 10.00 H new ATOM 0 HD2 LYS A 45 8.815 -2.002 3.962 1.00 10.00 H new ATOM 0 HD3 LYS A 45 7.527 -2.428 2.853 1.00 10.00 H new ATOM 0 HE2 LYS A 45 8.518 -0.977 1.110 1.00 10.00 H new ATOM 0 HE3 LYS A 45 9.780 -0.479 2.219 1.00 10.00 H new ATOM 0 HZ1 LYS A 45 10.494 -2.241 0.705 1.00 10.00 H new ATOM 0 HZ2 LYS A 45 10.583 -2.736 2.327 1.00 10.00 H new ATOM 0 HZ3 LYS A 45 9.313 -3.282 1.341 1.00 10.00 H new ATOM 495 N ALA A 46 3.651 -1.617 5.899 1.00 10.00 N ATOM 496 CA ALA A 46 2.911 -2.192 7.016 1.00 10.00 C ATOM 497 C ALA A 46 2.107 -3.423 6.593 1.00 10.00 C ATOM 498 O ALA A 46 2.225 -4.485 7.202 1.00 10.00 O ATOM 499 CB ALA A 46 1.998 -1.147 7.634 1.00 10.00 C ATOM 0 H ALA A 46 3.453 -0.631 5.729 1.00 10.00 H new ATOM 0 HA ALA A 46 3.637 -2.518 7.761 1.00 10.00 H new ATOM 0 HB1 ALA A 46 1.451 -1.589 8.467 1.00 10.00 H new ATOM 0 HB2 ALA A 46 2.595 -0.310 7.995 1.00 10.00 H new ATOM 0 HB3 ALA A 46 1.292 -0.792 6.884 1.00 10.00 H new ATOM 505 N TYR A 47 1.303 -3.287 5.544 1.00 10.00 N ATOM 506 CA TYR A 47 0.491 -4.406 5.067 1.00 10.00 C ATOM 507 C TYR A 47 1.375 -5.503 4.474 1.00 10.00 C ATOM 508 O TYR A 47 1.114 -6.693 4.658 1.00 10.00 O ATOM 509 CB TYR A 47 -0.534 -3.935 4.030 1.00 10.00 C ATOM 510 CG TYR A 47 -1.489 -5.027 3.579 1.00 10.00 C ATOM 511 CD1 TYR A 47 -1.449 -5.522 2.279 1.00 10.00 C ATOM 512 CD2 TYR A 47 -2.425 -5.567 4.455 1.00 10.00 C ATOM 513 CE1 TYR A 47 -2.310 -6.524 1.869 1.00 10.00 C ATOM 514 CE2 TYR A 47 -3.291 -6.567 4.051 1.00 10.00 C ATOM 515 CZ TYR A 47 -3.230 -7.043 2.758 1.00 10.00 C ATOM 516 OH TYR A 47 -4.087 -8.044 2.353 1.00 10.00 O ATOM 0 H TYR A 47 1.195 -2.424 5.011 1.00 10.00 H new ATOM 0 HA TYR A 47 -0.047 -4.817 5.922 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -1.110 -3.111 4.450 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -0.005 -3.544 3.160 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -0.734 -5.117 1.578 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -2.476 -5.199 5.469 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -2.263 -6.899 0.857 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -4.012 -6.973 4.745 1.00 10.00 H new ATOM 0 HH TYR A 47 -4.670 -8.298 3.099 1.00 10.00 H new ATOM 526 N CYS A 48 2.426 -5.094 3.778 1.00 10.00 N ATOM 527 CA CYS A 48 3.348 -6.033 3.151 1.00 10.00 C ATOM 528 C CYS A 48 4.066 -6.884 4.198 1.00 10.00 C ATOM 529 O CYS A 48 4.148 -8.112 4.069 1.00 10.00 O ATOM 530 CB CYS A 48 4.363 -5.272 2.304 1.00 10.00 C ATOM 531 SG CYS A 48 5.027 -6.227 0.927 1.00 10.00 S ATOM 0 H CYS A 48 2.663 -4.113 3.632 1.00 10.00 H new ATOM 0 HA CYS A 48 2.774 -6.703 2.511 1.00 10.00 H new ATOM 0 HB2 CYS A 48 3.892 -4.370 1.914 1.00 10.00 H new ATOM 0 HB3 CYS A 48 5.187 -4.952 2.942 1.00 10.00 H new ATOM 0 HG CYS A 48 5.731 -7.219 1.386 1.00 10.00 H new ATOM 537 N GLU A 49 4.568 -6.230 5.241 1.00 10.00 N ATOM 538 CA GLU A 49 5.276 -6.913 6.317 1.00 10.00 C ATOM 539 C GLU A 49 4.336 -7.850 7.068 1.00 10.00 C ATOM 540 O GLU A 49 4.772 -8.832 7.668 1.00 10.00 O ATOM 541 CB GLU A 49 5.882 -5.893 7.288 1.00 10.00 C ATOM 542 CG GLU A 49 7.087 -5.149 6.729 1.00 10.00 C ATOM 543 CD GLU A 49 8.316 -6.025 6.605 1.00 10.00 C ATOM 544 OE1 GLU A 49 8.516 -6.902 7.474 1.00 10.00 O ATOM 545 OE2 GLU A 49 9.095 -5.837 5.649 1.00 10.00 O ATOM 0 H GLU A 49 4.496 -5.220 5.363 1.00 10.00 H new ATOM 0 HA GLU A 49 6.079 -7.503 5.876 1.00 10.00 H new ATOM 0 HB2 GLU A 49 5.116 -5.168 7.563 1.00 10.00 H new ATOM 0 HB3 GLU A 49 6.177 -6.408 8.202 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.835 -4.745 5.749 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.315 -4.301 7.375 1.00 10.00 H new ATOM 552 N ARG A 50 3.047 -7.535 7.027 1.00 10.00 N ATOM 553 CA ARG A 50 2.028 -8.337 7.697 1.00 10.00 C ATOM 554 C ARG A 50 1.843 -9.685 7.021 1.00 10.00 C ATOM 555 O ARG A 50 1.725 -10.713 7.685 1.00 10.00 O ATOM 556 CB ARG A 50 0.698 -7.599 7.704 1.00 10.00 C ATOM 557 CG ARG A 50 0.577 -6.593 8.823 1.00 10.00 C ATOM 558 CD ARG A 50 -0.756 -5.886 8.772 1.00 10.00 C ATOM 559 NE ARG A 50 -1.125 -5.332 10.065 1.00 10.00 N ATOM 560 CZ ARG A 50 -2.376 -5.117 10.444 1.00 10.00 C ATOM 561 NH1 ARG A 50 -3.379 -5.423 9.635 1.00 10.00 N ATOM 562 NH2 ARG A 50 -2.628 -4.614 11.638 1.00 10.00 N ATOM 0 H ARG A 50 2.679 -6.722 6.532 1.00 10.00 H new ATOM 0 HA ARG A 50 2.367 -8.505 8.719 1.00 10.00 H new ATOM 0 HB2 ARG A 50 0.570 -7.088 6.750 1.00 10.00 H new ATOM 0 HB3 ARG A 50 -0.111 -8.324 7.788 1.00 10.00 H new ATOM 0 HG2 ARG A 50 0.689 -7.096 9.783 1.00 10.00 H new ATOM 0 HG3 ARG A 50 1.383 -5.863 8.750 1.00 10.00 H new ATOM 0 HD2 ARG A 50 -0.715 -5.086 8.033 1.00 10.00 H new ATOM 0 HD3 ARG A 50 -1.525 -6.585 8.443 1.00 10.00 H new ATOM 0 HE ARG A 50 -0.378 -5.095 10.718 1.00 10.00 H new ATOM 0 HH11 ARG A 50 -3.189 -5.825 8.717 1.00 10.00 H new ATOM 0 HH12 ARG A 50 -4.341 -5.256 9.930 1.00 10.00 H new ATOM 0 HH21 ARG A 50 -1.859 -4.390 12.270 1.00 10.00 H new ATOM 0 HH22 ARG A 50 -3.592 -4.449 11.929 1.00 10.00 H new ATOM 576 N GLN A 51 1.799 -9.670 5.698 1.00 10.00 N ATOM 577 CA GLN A 51 1.615 -10.893 4.929 1.00 10.00 C ATOM 578 C GLN A 51 2.925 -11.667 4.823 1.00 10.00 C ATOM 579 O GLN A 51 2.935 -12.836 4.438 1.00 10.00 O ATOM 580 CB GLN A 51 1.083 -10.569 3.531 1.00 10.00 C ATOM 581 CG GLN A 51 -0.096 -9.601 3.529 1.00 10.00 C ATOM 582 CD GLN A 51 -1.236 -10.047 4.426 1.00 10.00 C ATOM 583 OE1 GLN A 51 -1.273 -9.722 5.610 1.00 10.00 O ATOM 584 NE2 GLN A 51 -2.178 -10.788 3.868 1.00 10.00 N ATOM 0 H GLN A 51 1.888 -8.825 5.134 1.00 10.00 H new ATOM 0 HA GLN A 51 0.886 -11.515 5.449 1.00 10.00 H new ATOM 0 HB2 GLN A 51 1.891 -10.144 2.935 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.781 -11.496 3.044 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.248 -8.618 3.851 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.466 -9.491 2.510 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -2.113 -11.038 2.881 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -2.970 -11.110 4.424 1.00 10.00 H new ATOM 593 N GLY A 52 4.023 -11.005 5.171 1.00 10.00 N ATOM 594 CA GLY A 52 5.326 -11.637 5.114 1.00 10.00 C ATOM 595 C GLY A 52 5.818 -11.775 3.691 1.00 10.00 C ATOM 596 O GLY A 52 6.377 -12.807 3.311 1.00 10.00 O ATOM 0 H GLY A 52 4.032 -10.037 5.493 1.00 10.00 H new ATOM 0 HA2 GLY A 52 6.041 -11.050 5.691 1.00 10.00 H new ATOM 0 HA3 GLY A 52 5.274 -12.622 5.578 1.00 10.00 H new ATOM 600 N LEU A 53 5.599 -10.736 2.901 1.00 10.00 N ATOM 601 CA LEU A 53 6.010 -10.732 1.507 1.00 10.00 C ATOM 602 C LEU A 53 6.783 -9.461 1.195 1.00 10.00 C ATOM 603 O LEU A 53 6.674 -8.471 1.917 1.00 10.00 O ATOM 604 CB LEU A 53 4.786 -10.828 0.590 1.00 10.00 C ATOM 605 CG LEU A 53 3.844 -12.003 0.870 1.00 10.00 C ATOM 606 CD1 LEU A 53 2.566 -11.870 0.057 1.00 10.00 C ATOM 607 CD2 LEU A 53 4.529 -13.325 0.562 1.00 10.00 C ATOM 0 H LEU A 53 5.136 -9.879 3.205 1.00 10.00 H new ATOM 0 HA LEU A 53 6.652 -11.596 1.333 1.00 10.00 H new ATOM 0 HB2 LEU A 53 4.218 -9.901 0.673 1.00 10.00 H new ATOM 0 HB3 LEU A 53 5.131 -10.899 -0.442 1.00 10.00 H new ATOM 0 HG LEU A 53 3.585 -11.986 1.929 1.00 10.00 H new ATOM 0 HD11 LEU A 53 1.910 -12.714 0.270 1.00 10.00 H new ATOM 0 HD12 LEU A 53 2.061 -10.942 0.323 1.00 10.00 H new ATOM 0 HD13 LEU A 53 2.810 -11.859 -1.005 1.00 10.00 H new ATOM 0 HD21 LEU A 53 3.843 -14.147 0.768 1.00 10.00 H new ATOM 0 HD22 LEU A 53 4.819 -13.348 -0.488 1.00 10.00 H new ATOM 0 HD23 LEU A 53 5.417 -13.429 1.186 1.00 10.00 H new ATOM 619 N SER A 54 7.563 -9.492 0.127 1.00 10.00 N ATOM 620 CA SER A 54 8.333 -8.330 -0.278 1.00 10.00 C ATOM 621 C SER A 54 7.439 -7.368 -1.054 1.00 10.00 C ATOM 622 O SER A 54 6.576 -7.795 -1.825 1.00 10.00 O ATOM 623 CB SER A 54 9.534 -8.752 -1.131 1.00 10.00 C ATOM 624 OG SER A 54 10.257 -7.622 -1.597 1.00 10.00 O ATOM 0 H SER A 54 7.679 -10.308 -0.474 1.00 10.00 H new ATOM 0 HA SER A 54 8.710 -7.826 0.612 1.00 10.00 H new ATOM 0 HB2 SER A 54 10.193 -9.392 -0.544 1.00 10.00 H new ATOM 0 HB3 SER A 54 9.190 -9.342 -1.980 1.00 10.00 H new ATOM 0 HG SER A 54 11.018 -7.921 -2.137 1.00 10.00 H new ATOM 630 N MET A 55 7.651 -6.070 -0.855 1.00 10.00 N ATOM 631 CA MET A 55 6.854 -5.049 -1.532 1.00 10.00 C ATOM 632 C MET A 55 7.083 -5.082 -3.038 1.00 10.00 C ATOM 633 O MET A 55 6.334 -4.482 -3.806 1.00 10.00 O ATOM 634 CB MET A 55 7.181 -3.660 -0.983 1.00 10.00 C ATOM 635 CG MET A 55 5.947 -2.813 -0.717 1.00 10.00 C ATOM 636 SD MET A 55 6.344 -1.113 -0.273 1.00 10.00 S ATOM 637 CE MET A 55 6.884 -0.473 -1.855 1.00 10.00 C ATOM 0 H MET A 55 8.368 -5.699 -0.231 1.00 10.00 H new ATOM 0 HA MET A 55 5.803 -5.266 -1.340 1.00 10.00 H new ATOM 0 HB2 MET A 55 7.746 -3.767 -0.057 1.00 10.00 H new ATOM 0 HB3 MET A 55 7.825 -3.139 -1.692 1.00 10.00 H new ATOM 0 HG2 MET A 55 5.315 -2.813 -1.605 1.00 10.00 H new ATOM 0 HG3 MET A 55 5.368 -3.267 0.087 1.00 10.00 H new ATOM 0 HE1 MET A 55 6.505 0.541 -1.986 1.00 10.00 H new ATOM 0 HE2 MET A 55 7.973 -0.461 -1.890 1.00 10.00 H new ATOM 0 HE3 MET A 55 6.502 -1.109 -2.654 1.00 10.00 H new ATOM 647 N ARG A 56 8.120 -5.794 -3.454 1.00 10.00 N ATOM 648 CA ARG A 56 8.444 -5.920 -4.864 1.00 10.00 C ATOM 649 C ARG A 56 7.636 -7.057 -5.490 1.00 10.00 C ATOM 650 O ARG A 56 7.585 -7.200 -6.711 1.00 10.00 O ATOM 651 CB ARG A 56 9.945 -6.169 -5.032 1.00 10.00 C ATOM 652 CG ARG A 56 10.472 -5.872 -6.426 1.00 10.00 C ATOM 653 CD ARG A 56 11.990 -5.934 -6.457 1.00 10.00 C ATOM 654 NE ARG A 56 12.530 -5.755 -7.802 1.00 10.00 N ATOM 655 CZ ARG A 56 13.833 -5.710 -8.075 1.00 10.00 C ATOM 656 NH1 ARG A 56 14.725 -5.829 -7.100 1.00 10.00 N ATOM 657 NH2 ARG A 56 14.248 -5.547 -9.324 1.00 10.00 N ATOM 0 H ARG A 56 8.753 -6.295 -2.830 1.00 10.00 H new ATOM 0 HA ARG A 56 8.185 -4.993 -5.375 1.00 10.00 H new ATOM 0 HB2 ARG A 56 10.487 -5.555 -4.312 1.00 10.00 H new ATOM 0 HB3 ARG A 56 10.159 -7.210 -4.789 1.00 10.00 H new ATOM 0 HG2 ARG A 56 10.060 -6.590 -7.135 1.00 10.00 H new ATOM 0 HG3 ARG A 56 10.138 -4.884 -6.742 1.00 10.00 H new ATOM 0 HD2 ARG A 56 12.395 -5.164 -5.801 1.00 10.00 H new ATOM 0 HD3 ARG A 56 12.319 -6.895 -6.062 1.00 10.00 H new ATOM 0 HE ARG A 56 11.872 -5.659 -8.576 1.00 10.00 H new ATOM 0 HH11 ARG A 56 14.414 -5.956 -6.137 1.00 10.00 H new ATOM 0 HH12 ARG A 56 15.722 -5.794 -7.314 1.00 10.00 H new ATOM 0 HH21 ARG A 56 13.569 -5.456 -10.079 1.00 10.00 H new ATOM 0 HH22 ARG A 56 15.247 -5.513 -9.529 1.00 10.00 H new ATOM 671 N GLN A 57 6.983 -7.847 -4.647 1.00 10.00 N ATOM 672 CA GLN A 57 6.175 -8.971 -5.113 1.00 10.00 C ATOM 673 C GLN A 57 4.742 -8.529 -5.398 1.00 10.00 C ATOM 674 O GLN A 57 4.129 -8.957 -6.374 1.00 10.00 O ATOM 675 CB GLN A 57 6.175 -10.096 -4.072 1.00 10.00 C ATOM 676 CG GLN A 57 5.250 -11.253 -4.423 1.00 10.00 C ATOM 677 CD GLN A 57 5.089 -12.242 -3.287 1.00 10.00 C ATOM 678 OE1 GLN A 57 5.998 -12.434 -2.480 1.00 10.00 O ATOM 679 NE2 GLN A 57 3.930 -12.879 -3.220 1.00 10.00 N ATOM 0 H GLN A 57 6.996 -7.731 -3.634 1.00 10.00 H new ATOM 0 HA GLN A 57 6.615 -9.342 -6.039 1.00 10.00 H new ATOM 0 HB2 GLN A 57 7.191 -10.475 -3.960 1.00 10.00 H new ATOM 0 HB3 GLN A 57 5.879 -9.686 -3.106 1.00 10.00 H new ATOM 0 HG2 GLN A 57 4.271 -10.859 -4.697 1.00 10.00 H new ATOM 0 HG3 GLN A 57 5.641 -11.772 -5.298 1.00 10.00 H new ATOM 0 HE21 GLN A 57 3.203 -12.689 -3.910 1.00 10.00 H new ATOM 0 HE22 GLN A 57 3.764 -13.559 -2.478 1.00 10.00 H new ATOM 688 N ILE A 58 4.211 -7.669 -4.544 1.00 10.00 N ATOM 689 CA ILE A 58 2.849 -7.187 -4.714 1.00 10.00 C ATOM 690 C ILE A 58 2.835 -5.782 -5.301 1.00 10.00 C ATOM 691 O ILE A 58 3.885 -5.159 -5.466 1.00 10.00 O ATOM 692 CB ILE A 58 2.064 -7.210 -3.385 1.00 10.00 C ATOM 693 CG1 ILE A 58 2.833 -6.474 -2.282 1.00 10.00 C ATOM 694 CG2 ILE A 58 1.775 -8.646 -2.969 1.00 10.00 C ATOM 695 CD1 ILE A 58 2.098 -6.439 -0.959 1.00 10.00 C ATOM 0 H ILE A 58 4.698 -7.292 -3.731 1.00 10.00 H new ATOM 0 HA ILE A 58 2.357 -7.865 -5.411 1.00 10.00 H new ATOM 0 HB ILE A 58 1.117 -6.693 -3.537 1.00 10.00 H new ATOM 0 HG12 ILE A 58 3.800 -6.956 -2.140 1.00 10.00 H new ATOM 0 HG13 ILE A 58 3.031 -5.452 -2.607 1.00 10.00 H new ATOM 0 HG21 ILE A 58 1.221 -8.648 -2.030 1.00 10.00 H new ATOM 0 HG22 ILE A 58 1.182 -9.136 -3.741 1.00 10.00 H new ATOM 0 HG23 ILE A 58 2.715 -9.183 -2.837 1.00 10.00 H new ATOM 0 HD11 ILE A 58 2.698 -5.904 -0.223 1.00 10.00 H new ATOM 0 HD12 ILE A 58 1.142 -5.931 -1.087 1.00 10.00 H new ATOM 0 HD13 ILE A 58 1.924 -7.458 -0.613 1.00 10.00 H new ATOM 707 N ARG A 59 1.650 -5.293 -5.639 1.00 10.00 N ATOM 708 CA ARG A 59 1.504 -3.960 -6.213 1.00 10.00 C ATOM 709 C ARG A 59 0.321 -3.237 -5.591 1.00 10.00 C ATOM 710 O ARG A 59 -0.715 -3.845 -5.327 1.00 10.00 O ATOM 711 CB ARG A 59 1.307 -4.039 -7.733 1.00 10.00 C ATOM 712 CG ARG A 59 2.528 -4.531 -8.495 1.00 10.00 C ATOM 713 CD ARG A 59 3.706 -3.580 -8.346 1.00 10.00 C ATOM 714 NE ARG A 59 4.846 -3.996 -9.159 1.00 10.00 N ATOM 715 CZ ARG A 59 5.761 -4.882 -8.771 1.00 10.00 C ATOM 716 NH1 ARG A 59 5.700 -5.426 -7.559 1.00 10.00 N ATOM 717 NH2 ARG A 59 6.745 -5.212 -9.597 1.00 10.00 N ATOM 0 H ARG A 59 0.772 -5.800 -5.526 1.00 10.00 H new ATOM 0 HA ARG A 59 2.418 -3.405 -6.001 1.00 10.00 H new ATOM 0 HB2 ARG A 59 0.468 -4.702 -7.945 1.00 10.00 H new ATOM 0 HB3 ARG A 59 1.034 -3.051 -8.105 1.00 10.00 H new ATOM 0 HG2 ARG A 59 2.810 -5.519 -8.131 1.00 10.00 H new ATOM 0 HG3 ARG A 59 2.279 -4.639 -9.551 1.00 10.00 H new ATOM 0 HD2 ARG A 59 3.400 -2.575 -8.636 1.00 10.00 H new ATOM 0 HD3 ARG A 59 4.005 -3.533 -7.299 1.00 10.00 H new ATOM 0 HE ARG A 59 4.948 -3.580 -10.085 1.00 10.00 H new ATOM 0 HH11 ARG A 59 4.949 -5.165 -6.920 1.00 10.00 H new ATOM 0 HH12 ARG A 59 6.404 -6.104 -7.268 1.00 10.00 H new ATOM 0 HH21 ARG A 59 6.797 -4.788 -10.523 1.00 10.00 H new ATOM 0 HH22 ARG A 59 7.449 -5.890 -9.306 1.00 10.00 H new ATOM 731 N PHE A 60 0.483 -1.943 -5.359 1.00 10.00 N ATOM 732 CA PHE A 60 -0.573 -1.126 -4.777 1.00 10.00 C ATOM 733 C PHE A 60 -1.014 -0.061 -5.773 1.00 10.00 C ATOM 734 O PHE A 60 -0.185 0.519 -6.480 1.00 10.00 O ATOM 735 CB PHE A 60 -0.092 -0.458 -3.485 1.00 10.00 C ATOM 736 CG PHE A 60 0.144 -1.409 -2.347 1.00 10.00 C ATOM 737 CD1 PHE A 60 1.344 -2.096 -2.234 1.00 10.00 C ATOM 738 CD2 PHE A 60 -0.829 -1.607 -1.379 1.00 10.00 C ATOM 739 CE1 PHE A 60 1.567 -2.959 -1.179 1.00 10.00 C ATOM 740 CE2 PHE A 60 -0.611 -2.471 -0.323 1.00 10.00 C ATOM 741 CZ PHE A 60 0.588 -3.147 -0.223 1.00 10.00 C ATOM 0 H PHE A 60 1.342 -1.433 -5.566 1.00 10.00 H new ATOM 0 HA PHE A 60 -1.418 -1.773 -4.540 1.00 10.00 H new ATOM 0 HB2 PHE A 60 0.833 0.080 -3.691 1.00 10.00 H new ATOM 0 HB3 PHE A 60 -0.830 0.283 -3.177 1.00 10.00 H new ATOM 0 HD1 PHE A 60 2.113 -1.954 -2.979 1.00 10.00 H new ATOM 0 HD2 PHE A 60 -1.769 -1.079 -1.451 1.00 10.00 H new ATOM 0 HE1 PHE A 60 2.506 -3.486 -1.102 1.00 10.00 H new ATOM 0 HE2 PHE A 60 -1.378 -2.617 0.423 1.00 10.00 H new ATOM 0 HZ PHE A 60 0.761 -3.822 0.602 1.00 10.00 H new ATOM 751 N ARG A 61 -2.312 0.188 -5.842 1.00 10.00 N ATOM 752 CA ARG A 61 -2.843 1.190 -6.755 1.00 10.00 C ATOM 753 C ARG A 61 -3.910 2.039 -6.072 1.00 10.00 C ATOM 754 O ARG A 61 -4.630 1.565 -5.194 1.00 10.00 O ATOM 755 CB ARG A 61 -3.421 0.532 -8.012 1.00 10.00 C ATOM 756 CG ARG A 61 -2.373 0.173 -9.054 1.00 10.00 C ATOM 757 CD ARG A 61 -3.009 -0.371 -10.321 1.00 10.00 C ATOM 758 NE ARG A 61 -2.008 -0.723 -11.331 1.00 10.00 N ATOM 759 CZ ARG A 61 -2.189 -0.582 -12.646 1.00 10.00 C ATOM 760 NH1 ARG A 61 -3.341 -0.119 -13.124 1.00 10.00 N ATOM 761 NH2 ARG A 61 -1.216 -0.918 -13.480 1.00 10.00 N ATOM 0 H ARG A 61 -3.017 -0.288 -5.279 1.00 10.00 H new ATOM 0 HA ARG A 61 -2.019 1.839 -7.050 1.00 10.00 H new ATOM 0 HB2 ARG A 61 -3.958 -0.372 -7.724 1.00 10.00 H new ATOM 0 HB3 ARG A 61 -4.150 1.206 -8.461 1.00 10.00 H new ATOM 0 HG2 ARG A 61 -1.780 1.056 -9.294 1.00 10.00 H new ATOM 0 HG3 ARG A 61 -1.689 -0.569 -8.642 1.00 10.00 H new ATOM 0 HD2 ARG A 61 -3.604 -1.251 -10.079 1.00 10.00 H new ATOM 0 HD3 ARG A 61 -3.692 0.372 -10.732 1.00 10.00 H new ATOM 0 HE ARG A 61 -1.116 -1.100 -11.009 1.00 10.00 H new ATOM 0 HH11 ARG A 61 -4.095 0.132 -12.484 1.00 10.00 H new ATOM 0 HH12 ARG A 61 -3.470 -0.015 -14.130 1.00 10.00 H new ATOM 0 HH21 ARG A 61 -0.335 -1.282 -13.116 1.00 10.00 H new ATOM 0 HH22 ARG A 61 -1.348 -0.813 -14.486 1.00 10.00 H new ATOM 775 N PHE A 62 -3.986 3.297 -6.470 1.00 10.00 N ATOM 776 CA PHE A 62 -4.963 4.227 -5.932 1.00 10.00 C ATOM 777 C PHE A 62 -5.863 4.712 -7.058 1.00 10.00 C ATOM 778 O PHE A 62 -5.400 5.396 -7.973 1.00 10.00 O ATOM 779 CB PHE A 62 -4.265 5.415 -5.256 1.00 10.00 C ATOM 780 CG PHE A 62 -5.171 6.587 -4.988 1.00 10.00 C ATOM 781 CD1 PHE A 62 -6.182 6.498 -4.044 1.00 10.00 C ATOM 782 CD2 PHE A 62 -5.014 7.777 -5.685 1.00 10.00 C ATOM 783 CE1 PHE A 62 -7.017 7.571 -3.802 1.00 10.00 C ATOM 784 CE2 PHE A 62 -5.846 8.853 -5.445 1.00 10.00 C ATOM 785 CZ PHE A 62 -6.851 8.749 -4.503 1.00 10.00 C ATOM 0 H PHE A 62 -3.371 3.703 -7.176 1.00 10.00 H new ATOM 0 HA PHE A 62 -5.565 3.719 -5.179 1.00 10.00 H new ATOM 0 HB2 PHE A 62 -3.833 5.080 -4.313 1.00 10.00 H new ATOM 0 HB3 PHE A 62 -3.439 5.744 -5.886 1.00 10.00 H new ATOM 0 HD1 PHE A 62 -6.318 5.580 -3.492 1.00 10.00 H new ATOM 0 HD2 PHE A 62 -4.231 7.863 -6.424 1.00 10.00 H new ATOM 0 HE1 PHE A 62 -7.801 7.489 -3.064 1.00 10.00 H new ATOM 0 HE2 PHE A 62 -5.711 9.774 -5.993 1.00 10.00 H new ATOM 0 HZ PHE A 62 -7.506 9.587 -4.315 1.00 10.00 H new ATOM 795 N ASP A 63 -7.128 4.307 -7.009 1.00 10.00 N ATOM 796 CA ASP A 63 -8.120 4.694 -8.014 1.00 10.00 C ATOM 797 C ASP A 63 -7.717 4.209 -9.408 1.00 10.00 C ATOM 798 O ASP A 63 -8.179 4.734 -10.423 1.00 10.00 O ATOM 799 CB ASP A 63 -8.316 6.213 -8.011 1.00 10.00 C ATOM 800 CG ASP A 63 -9.772 6.609 -8.138 1.00 10.00 C ATOM 801 OD1 ASP A 63 -10.564 6.280 -7.227 1.00 10.00 O ATOM 802 OD2 ASP A 63 -10.135 7.252 -9.146 1.00 10.00 O ATOM 0 H ASP A 63 -7.497 3.703 -6.275 1.00 10.00 H new ATOM 0 HA ASP A 63 -9.065 4.217 -7.755 1.00 10.00 H new ATOM 0 HB2 ASP A 63 -7.909 6.627 -7.088 1.00 10.00 H new ATOM 0 HB3 ASP A 63 -7.750 6.651 -8.833 1.00 10.00 H new ATOM 807 N GLY A 64 -6.859 3.194 -9.448 1.00 10.00 N ATOM 808 CA GLY A 64 -6.404 2.653 -10.714 1.00 10.00 C ATOM 809 C GLY A 64 -5.015 3.130 -11.092 1.00 10.00 C ATOM 810 O GLY A 64 -4.404 2.608 -12.025 1.00 10.00 O ATOM 0 H GLY A 64 -6.471 2.736 -8.623 1.00 10.00 H new ATOM 0 HA2 GLY A 64 -6.407 1.564 -10.661 1.00 10.00 H new ATOM 0 HA3 GLY A 64 -7.106 2.936 -11.498 1.00 10.00 H new ATOM 814 N GLN A 65 -4.513 4.121 -10.370 1.00 10.00 N ATOM 815 CA GLN A 65 -3.189 4.669 -10.639 1.00 10.00 C ATOM 816 C GLN A 65 -2.154 4.053 -9.704 1.00 10.00 C ATOM 817 O GLN A 65 -2.430 3.833 -8.529 1.00 10.00 O ATOM 818 CB GLN A 65 -3.202 6.191 -10.476 1.00 10.00 C ATOM 819 CG GLN A 65 -4.181 6.895 -11.402 1.00 10.00 C ATOM 820 CD GLN A 65 -3.835 6.708 -12.866 1.00 10.00 C ATOM 821 OE1 GLN A 65 -4.310 5.776 -13.516 1.00 10.00 O ATOM 822 NE2 GLN A 65 -3.004 7.592 -13.395 1.00 10.00 N ATOM 0 H GLN A 65 -5.002 4.564 -9.592 1.00 10.00 H new ATOM 0 HA GLN A 65 -2.919 4.425 -11.666 1.00 10.00 H new ATOM 0 HB2 GLN A 65 -3.452 6.435 -9.444 1.00 10.00 H new ATOM 0 HB3 GLN A 65 -2.199 6.576 -10.661 1.00 10.00 H new ATOM 0 HG2 GLN A 65 -5.186 6.515 -11.219 1.00 10.00 H new ATOM 0 HG3 GLN A 65 -4.195 7.960 -11.169 1.00 10.00 H new ATOM 0 HE21 GLN A 65 -2.633 8.350 -12.822 1.00 10.00 H new ATOM 0 HE22 GLN A 65 -2.735 7.516 -14.376 1.00 10.00 H new ATOM 831 N PRO A 66 -0.954 3.748 -10.218 1.00 10.00 N ATOM 832 CA PRO A 66 0.124 3.148 -9.417 1.00 10.00 C ATOM 833 C PRO A 66 0.634 4.080 -8.317 1.00 10.00 C ATOM 834 O PRO A 66 0.875 5.267 -8.555 1.00 10.00 O ATOM 835 CB PRO A 66 1.228 2.883 -10.446 1.00 10.00 C ATOM 836 CG PRO A 66 0.941 3.810 -11.576 1.00 10.00 C ATOM 837 CD PRO A 66 -0.551 3.959 -11.621 1.00 10.00 C ATOM 0 HA PRO A 66 -0.216 2.255 -8.892 1.00 10.00 H new ATOM 0 HB2 PRO A 66 2.214 3.072 -10.023 1.00 10.00 H new ATOM 0 HB3 PRO A 66 1.217 1.844 -10.776 1.00 10.00 H new ATOM 0 HG2 PRO A 66 1.425 4.774 -11.422 1.00 10.00 H new ATOM 0 HG3 PRO A 66 1.321 3.409 -12.516 1.00 10.00 H new ATOM 0 HD2 PRO A 66 -0.846 4.945 -11.981 1.00 10.00 H new ATOM 0 HD3 PRO A 66 -1.009 3.227 -12.286 1.00 10.00 H new ATOM 845 N ILE A 67 0.792 3.538 -7.114 1.00 10.00 N ATOM 846 CA ILE A 67 1.282 4.316 -5.984 1.00 10.00 C ATOM 847 C ILE A 67 2.806 4.265 -5.925 1.00 10.00 C ATOM 848 O ILE A 67 3.410 3.219 -6.172 1.00 10.00 O ATOM 849 CB ILE A 67 0.700 3.804 -4.644 1.00 10.00 C ATOM 850 CG1 ILE A 67 -0.830 3.800 -4.696 1.00 10.00 C ATOM 851 CG2 ILE A 67 1.188 4.660 -3.481 1.00 10.00 C ATOM 852 CD1 ILE A 67 -1.480 3.332 -3.412 1.00 10.00 C ATOM 0 H ILE A 67 0.587 2.562 -6.897 1.00 10.00 H new ATOM 0 HA ILE A 67 0.954 5.345 -6.131 1.00 10.00 H new ATOM 0 HB ILE A 67 1.048 2.783 -4.487 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -1.180 4.807 -4.924 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -1.155 3.157 -5.513 1.00 10.00 H new ATOM 0 HG21 ILE A 67 0.767 4.282 -2.549 1.00 10.00 H new ATOM 0 HG22 ILE A 67 2.276 4.619 -3.430 1.00 10.00 H new ATOM 0 HG23 ILE A 67 0.871 5.692 -3.631 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -2.564 3.356 -3.523 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -1.160 2.313 -3.192 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -1.185 3.989 -2.594 1.00 10.00 H new ATOM 864 N ASN A 68 3.420 5.398 -5.615 1.00 10.00 N ATOM 865 CA ASN A 68 4.868 5.486 -5.517 1.00 10.00 C ATOM 866 C ASN A 68 5.300 5.553 -4.058 1.00 10.00 C ATOM 867 O ASN A 68 4.502 5.874 -3.177 1.00 10.00 O ATOM 868 CB ASN A 68 5.384 6.717 -6.265 1.00 10.00 C ATOM 869 CG ASN A 68 5.809 6.397 -7.683 1.00 10.00 C ATOM 870 OD1 ASN A 68 6.964 6.061 -7.935 1.00 10.00 O ATOM 871 ND2 ASN A 68 4.880 6.504 -8.619 1.00 10.00 N ATOM 0 H ASN A 68 2.933 6.274 -5.426 1.00 10.00 H new ATOM 0 HA ASN A 68 5.293 4.592 -5.973 1.00 10.00 H new ATOM 0 HB2 ASN A 68 4.605 7.479 -6.286 1.00 10.00 H new ATOM 0 HB3 ASN A 68 6.229 7.140 -5.722 1.00 10.00 H new ATOM 0 HD21 ASN A 68 5.111 6.304 -9.592 1.00 10.00 H new ATOM 0 HD22 ASN A 68 3.933 6.786 -8.367 1.00 10.00 H new ATOM 878 N GLU A 69 6.575 5.280 -3.813 1.00 10.00 N ATOM 879 CA GLU A 69 7.121 5.303 -2.458 1.00 10.00 C ATOM 880 C GLU A 69 7.374 6.736 -1.986 1.00 10.00 C ATOM 881 O GLU A 69 7.976 6.957 -0.937 1.00 10.00 O ATOM 882 CB GLU A 69 8.417 4.489 -2.397 1.00 10.00 C ATOM 883 CG GLU A 69 8.204 3.000 -2.616 1.00 10.00 C ATOM 884 CD GLU A 69 9.502 2.226 -2.736 1.00 10.00 C ATOM 885 OE1 GLU A 69 9.811 1.424 -1.833 1.00 10.00 O ATOM 886 OE2 GLU A 69 10.218 2.408 -3.742 1.00 10.00 O ATOM 0 H GLU A 69 7.254 5.039 -4.535 1.00 10.00 H new ATOM 0 HA GLU A 69 6.386 4.854 -1.790 1.00 10.00 H new ATOM 0 HB2 GLU A 69 9.109 4.864 -3.151 1.00 10.00 H new ATOM 0 HB3 GLU A 69 8.889 4.642 -1.426 1.00 10.00 H new ATOM 0 HG2 GLU A 69 7.622 2.596 -1.787 1.00 10.00 H new ATOM 0 HG3 GLU A 69 7.615 2.852 -3.521 1.00 10.00 H new ATOM 893 N THR A 70 6.905 7.703 -2.762 1.00 10.00 N ATOM 894 CA THR A 70 7.072 9.110 -2.432 1.00 10.00 C ATOM 895 C THR A 70 5.721 9.819 -2.381 1.00 10.00 C ATOM 896 O THR A 70 5.653 11.049 -2.329 1.00 10.00 O ATOM 897 CB THR A 70 7.964 9.803 -3.478 1.00 10.00 C ATOM 898 OG1 THR A 70 7.661 9.290 -4.786 1.00 10.00 O ATOM 899 CG2 THR A 70 9.438 9.584 -3.170 1.00 10.00 C ATOM 0 H THR A 70 6.401 7.535 -3.633 1.00 10.00 H new ATOM 0 HA THR A 70 7.544 9.169 -1.451 1.00 10.00 H new ATOM 0 HB THR A 70 7.763 10.874 -3.446 1.00 10.00 H new ATOM 0 HG1 THR A 70 8.228 9.733 -5.451 1.00 10.00 H new ATOM 0 HG21 THR A 70 10.046 10.084 -3.924 1.00 10.00 H new ATOM 0 HG22 THR A 70 9.669 9.995 -2.187 1.00 10.00 H new ATOM 0 HG23 THR A 70 9.657 8.516 -3.178 1.00 10.00 H new ATOM 907 N ASP A 71 4.650 9.035 -2.388 1.00 10.00 N ATOM 908 CA ASP A 71 3.299 9.587 -2.371 1.00 10.00 C ATOM 909 C ASP A 71 2.773 9.749 -0.950 1.00 10.00 C ATOM 910 O ASP A 71 3.201 9.055 -0.024 1.00 10.00 O ATOM 911 CB ASP A 71 2.344 8.699 -3.175 1.00 10.00 C ATOM 912 CG ASP A 71 2.568 8.795 -4.670 1.00 10.00 C ATOM 913 OD1 ASP A 71 3.033 9.853 -5.145 1.00 10.00 O ATOM 914 OD2 ASP A 71 2.278 7.815 -5.385 1.00 10.00 O ATOM 0 H ASP A 71 4.689 8.016 -2.405 1.00 10.00 H new ATOM 0 HA ASP A 71 3.349 10.574 -2.830 1.00 10.00 H new ATOM 0 HB2 ASP A 71 2.467 7.663 -2.860 1.00 10.00 H new ATOM 0 HB3 ASP A 71 1.316 8.981 -2.948 1.00 10.00 H new ATOM 919 N THR A 72 1.838 10.675 -0.796 1.00 10.00 N ATOM 920 CA THR A 72 1.221 10.958 0.490 1.00 10.00 C ATOM 921 C THR A 72 -0.292 11.109 0.313 1.00 10.00 C ATOM 922 O THR A 72 -0.750 11.510 -0.760 1.00 10.00 O ATOM 923 CB THR A 72 1.805 12.251 1.102 1.00 10.00 C ATOM 924 OG1 THR A 72 2.633 12.915 0.137 1.00 10.00 O ATOM 925 CG2 THR A 72 2.623 11.947 2.348 1.00 10.00 C ATOM 0 H THR A 72 1.486 11.251 -1.560 1.00 10.00 H new ATOM 0 HA THR A 72 1.429 10.129 1.166 1.00 10.00 H new ATOM 0 HB THR A 72 0.974 12.898 1.384 1.00 10.00 H new ATOM 0 HG1 THR A 72 2.999 13.735 0.529 1.00 10.00 H new ATOM 0 HG21 THR A 72 3.022 12.875 2.757 1.00 10.00 H new ATOM 0 HG22 THR A 72 1.988 11.466 3.092 1.00 10.00 H new ATOM 0 HG23 THR A 72 3.447 11.282 2.089 1.00 10.00 H new ATOM 933 N PRO A 73 -1.092 10.788 1.351 1.00 10.00 N ATOM 934 CA PRO A 73 -2.557 10.889 1.287 1.00 10.00 C ATOM 935 C PRO A 73 -3.032 12.286 0.893 1.00 10.00 C ATOM 936 O PRO A 73 -3.875 12.442 0.008 1.00 10.00 O ATOM 937 CB PRO A 73 -3.004 10.561 2.717 1.00 10.00 C ATOM 938 CG PRO A 73 -1.888 9.769 3.297 1.00 10.00 C ATOM 939 CD PRO A 73 -0.634 10.292 2.661 1.00 10.00 C ATOM 0 HA PRO A 73 -2.972 10.223 0.531 1.00 10.00 H new ATOM 0 HB2 PRO A 73 -3.184 11.469 3.292 1.00 10.00 H new ATOM 0 HB3 PRO A 73 -3.934 9.993 2.719 1.00 10.00 H new ATOM 0 HG2 PRO A 73 -1.852 9.882 4.381 1.00 10.00 H new ATOM 0 HG3 PRO A 73 -2.016 8.706 3.091 1.00 10.00 H new ATOM 0 HD2 PRO A 73 -0.184 11.087 3.256 1.00 10.00 H new ATOM 0 HD3 PRO A 73 0.118 9.510 2.553 1.00 10.00 H new ATOM 947 N ALA A 74 -2.466 13.300 1.536 1.00 10.00 N ATOM 948 CA ALA A 74 -2.836 14.683 1.263 1.00 10.00 C ATOM 949 C ALA A 74 -2.278 15.161 -0.072 1.00 10.00 C ATOM 950 O ALA A 74 -2.698 16.192 -0.598 1.00 10.00 O ATOM 951 CB ALA A 74 -2.357 15.585 2.384 1.00 10.00 C ATOM 0 H ALA A 74 -1.748 13.190 2.252 1.00 10.00 H new ATOM 0 HA ALA A 74 -3.923 14.730 1.204 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -2.640 16.615 2.168 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -2.814 15.273 3.323 1.00 10.00 H new ATOM 0 HB3 ALA A 74 -1.272 15.516 2.468 1.00 10.00 H new ATOM 957 N GLN A 75 -1.332 14.414 -0.619 1.00 10.00 N ATOM 958 CA GLN A 75 -0.725 14.776 -1.890 1.00 10.00 C ATOM 959 C GLN A 75 -1.559 14.247 -3.048 1.00 10.00 C ATOM 960 O GLN A 75 -1.684 14.902 -4.080 1.00 10.00 O ATOM 961 CB GLN A 75 0.702 14.235 -1.974 1.00 10.00 C ATOM 962 CG GLN A 75 1.530 14.850 -3.090 1.00 10.00 C ATOM 963 CD GLN A 75 1.475 16.365 -3.092 1.00 10.00 C ATOM 964 OE1 GLN A 75 2.213 17.030 -2.360 1.00 10.00 O ATOM 965 NE2 GLN A 75 0.608 16.927 -3.920 1.00 10.00 N ATOM 0 H GLN A 75 -0.969 13.556 -0.204 1.00 10.00 H new ATOM 0 HA GLN A 75 -0.689 15.863 -1.957 1.00 10.00 H new ATOM 0 HB2 GLN A 75 1.204 14.412 -1.023 1.00 10.00 H new ATOM 0 HB3 GLN A 75 0.663 13.155 -2.117 1.00 10.00 H new ATOM 0 HG2 GLN A 75 2.566 14.528 -2.988 1.00 10.00 H new ATOM 0 HG3 GLN A 75 1.173 14.476 -4.050 1.00 10.00 H new ATOM 0 HE21 GLN A 75 0.014 16.344 -4.510 1.00 10.00 H new ATOM 0 HE22 GLN A 75 0.534 17.943 -3.968 1.00 10.00 H new ATOM 974 N LEU A 76 -2.137 13.066 -2.865 1.00 10.00 N ATOM 975 CA LEU A 76 -2.962 12.445 -3.900 1.00 10.00 C ATOM 976 C LEU A 76 -4.422 12.877 -3.781 1.00 10.00 C ATOM 977 O LEU A 76 -5.289 12.348 -4.481 1.00 10.00 O ATOM 978 CB LEU A 76 -2.863 10.920 -3.815 1.00 10.00 C ATOM 979 CG LEU A 76 -1.592 10.308 -4.405 1.00 10.00 C ATOM 980 CD1 LEU A 76 -1.524 8.821 -4.086 1.00 10.00 C ATOM 981 CD2 LEU A 76 -1.541 10.535 -5.908 1.00 10.00 C ATOM 0 H LEU A 76 -2.051 12.517 -2.010 1.00 10.00 H new ATOM 0 HA LEU A 76 -2.586 12.777 -4.868 1.00 10.00 H new ATOM 0 HB2 LEU A 76 -2.934 10.627 -2.768 1.00 10.00 H new ATOM 0 HB3 LEU A 76 -3.724 10.489 -4.326 1.00 10.00 H new ATOM 0 HG LEU A 76 -0.729 10.798 -3.955 1.00 10.00 H new ATOM 0 HD11 LEU A 76 -0.614 8.399 -4.512 1.00 10.00 H new ATOM 0 HD12 LEU A 76 -1.517 8.681 -3.005 1.00 10.00 H new ATOM 0 HD13 LEU A 76 -2.392 8.317 -4.512 1.00 10.00 H new ATOM 0 HD21 LEU A 76 -0.630 10.093 -6.312 1.00 10.00 H new ATOM 0 HD22 LEU A 76 -2.408 10.070 -6.376 1.00 10.00 H new ATOM 0 HD23 LEU A 76 -1.548 11.605 -6.115 1.00 10.00 H new ATOM 993 N GLU A 77 -4.684 13.834 -2.888 1.00 10.00 N ATOM 994 CA GLU A 77 -6.036 14.351 -2.667 1.00 10.00 C ATOM 995 C GLU A 77 -6.972 13.236 -2.194 1.00 10.00 C ATOM 996 O GLU A 77 -8.152 13.203 -2.550 1.00 10.00 O ATOM 997 CB GLU A 77 -6.585 14.995 -3.946 1.00 10.00 C ATOM 998 CG GLU A 77 -5.764 16.174 -4.445 1.00 10.00 C ATOM 999 CD GLU A 77 -5.998 17.433 -3.642 1.00 10.00 C ATOM 1000 OE1 GLU A 77 -6.819 18.270 -4.071 1.00 10.00 O ATOM 1001 OE2 GLU A 77 -5.359 17.599 -2.584 1.00 10.00 O ATOM 0 H GLU A 77 -3.971 14.269 -2.302 1.00 10.00 H new ATOM 0 HA GLU A 77 -5.983 15.113 -1.889 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -6.631 14.239 -4.730 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -7.607 15.328 -3.764 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -4.706 15.916 -4.407 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -6.008 16.365 -5.490 1.00 10.00 H new ATOM 1008 N MET A 78 -6.440 12.336 -1.377 1.00 10.00 N ATOM 1009 CA MET A 78 -7.222 11.218 -0.860 1.00 10.00 C ATOM 1010 C MET A 78 -8.126 11.681 0.271 1.00 10.00 C ATOM 1011 O MET A 78 -7.876 12.717 0.895 1.00 10.00 O ATOM 1012 CB MET A 78 -6.303 10.104 -0.355 1.00 10.00 C ATOM 1013 CG MET A 78 -5.281 9.641 -1.380 1.00 10.00 C ATOM 1014 SD MET A 78 -4.080 8.481 -0.698 1.00 10.00 S ATOM 1015 CE MET A 78 -5.083 7.003 -0.552 1.00 10.00 C ATOM 0 H MET A 78 -5.471 12.357 -1.058 1.00 10.00 H new ATOM 0 HA MET A 78 -7.835 10.830 -1.674 1.00 10.00 H new ATOM 0 HB2 MET A 78 -5.779 10.453 0.535 1.00 10.00 H new ATOM 0 HB3 MET A 78 -6.912 9.252 -0.052 1.00 10.00 H new ATOM 0 HG2 MET A 78 -5.799 9.170 -2.216 1.00 10.00 H new ATOM 0 HG3 MET A 78 -4.755 10.508 -1.779 1.00 10.00 H new ATOM 0 HE1 MET A 78 -5.310 6.820 0.498 1.00 10.00 H new ATOM 0 HE2 MET A 78 -6.012 7.137 -1.106 1.00 10.00 H new ATOM 0 HE3 MET A 78 -4.538 6.152 -0.959 1.00 10.00 H new ATOM 1025 N GLU A 79 -9.171 10.919 0.533 1.00 10.00 N ATOM 1026 CA GLU A 79 -10.104 11.255 1.591 1.00 10.00 C ATOM 1027 C GLU A 79 -10.383 10.038 2.457 1.00 10.00 C ATOM 1028 O GLU A 79 -9.888 8.944 2.183 1.00 10.00 O ATOM 1029 CB GLU A 79 -11.408 11.799 1.006 1.00 10.00 C ATOM 1030 CG GLU A 79 -11.539 13.308 1.126 1.00 10.00 C ATOM 1031 CD GLU A 79 -11.891 13.749 2.533 1.00 10.00 C ATOM 1032 OE1 GLU A 79 -12.881 14.489 2.695 1.00 10.00 O ATOM 1033 OE2 GLU A 79 -11.176 13.363 3.485 1.00 10.00 O ATOM 0 H GLU A 79 -9.395 10.062 0.027 1.00 10.00 H new ATOM 0 HA GLU A 79 -9.654 12.030 2.212 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -11.471 11.519 -0.045 1.00 10.00 H new ATOM 0 HB3 GLU A 79 -12.250 11.327 1.513 1.00 10.00 H new ATOM 0 HG2 GLU A 79 -10.602 13.776 0.826 1.00 10.00 H new ATOM 0 HG3 GLU A 79 -12.306 13.659 0.436 1.00 10.00 H new ATOM 1040 N ASP A 80 -11.151 10.242 3.513 1.00 10.00 N ATOM 1041 CA ASP A 80 -11.500 9.161 4.425 1.00 10.00 C ATOM 1042 C ASP A 80 -12.442 8.183 3.738 1.00 10.00 C ATOM 1043 O ASP A 80 -13.218 8.583 2.867 1.00 10.00 O ATOM 1044 CB ASP A 80 -12.165 9.729 5.681 1.00 10.00 C ATOM 1045 CG ASP A 80 -12.163 8.756 6.843 1.00 10.00 C ATOM 1046 OD1 ASP A 80 -13.044 7.872 6.894 1.00 10.00 O ATOM 1047 OD2 ASP A 80 -11.291 8.890 7.725 1.00 10.00 O ATOM 0 H ASP A 80 -11.547 11.148 3.763 1.00 10.00 H new ATOM 0 HA ASP A 80 -10.590 8.635 4.712 1.00 10.00 H new ATOM 0 HB2 ASP A 80 -11.649 10.642 5.978 1.00 10.00 H new ATOM 0 HB3 ASP A 80 -13.193 10.006 5.448 1.00 10.00 H new ATOM 1052 N GLU A 81 -12.353 6.909 4.130 1.00 10.00 N ATOM 1053 CA GLU A 81 -13.186 5.832 3.576 1.00 10.00 C ATOM 1054 C GLU A 81 -12.709 5.422 2.182 1.00 10.00 C ATOM 1055 O GLU A 81 -13.356 4.616 1.508 1.00 10.00 O ATOM 1056 CB GLU A 81 -14.669 6.225 3.526 1.00 10.00 C ATOM 1057 CG GLU A 81 -15.221 6.722 4.852 1.00 10.00 C ATOM 1058 CD GLU A 81 -16.070 5.692 5.557 1.00 10.00 C ATOM 1059 OE1 GLU A 81 -17.268 5.961 5.785 1.00 10.00 O ATOM 1060 OE2 GLU A 81 -15.549 4.607 5.887 1.00 10.00 O ATOM 0 H GLU A 81 -11.698 6.592 4.845 1.00 10.00 H new ATOM 0 HA GLU A 81 -13.082 4.979 4.247 1.00 10.00 H new ATOM 0 HB2 GLU A 81 -14.803 7.002 2.774 1.00 10.00 H new ATOM 0 HB3 GLU A 81 -15.252 5.363 3.201 1.00 10.00 H new ATOM 0 HG2 GLU A 81 -14.393 7.008 5.500 1.00 10.00 H new ATOM 0 HG3 GLU A 81 -15.816 7.619 4.679 1.00 10.00 H new ATOM 1067 N ASP A 82 -11.575 5.966 1.758 1.00 10.00 N ATOM 1068 CA ASP A 82 -11.017 5.643 0.449 1.00 10.00 C ATOM 1069 C ASP A 82 -10.507 4.208 0.442 1.00 10.00 C ATOM 1070 O ASP A 82 -10.147 3.669 1.489 1.00 10.00 O ATOM 1071 CB ASP A 82 -9.882 6.602 0.094 1.00 10.00 C ATOM 1072 CG ASP A 82 -9.956 7.083 -1.341 1.00 10.00 C ATOM 1073 OD1 ASP A 82 -9.897 6.237 -2.264 1.00 10.00 O ATOM 1074 OD2 ASP A 82 -10.076 8.310 -1.553 1.00 10.00 O ATOM 0 H ASP A 82 -11.024 6.632 2.300 1.00 10.00 H new ATOM 0 HA ASP A 82 -11.804 5.748 -0.298 1.00 10.00 H new ATOM 0 HB2 ASP A 82 -9.914 7.461 0.764 1.00 10.00 H new ATOM 0 HB3 ASP A 82 -8.926 6.105 0.258 1.00 10.00 H new ATOM 1079 N THR A 83 -10.469 3.589 -0.728 1.00 10.00 N ATOM 1080 CA THR A 83 -10.017 2.211 -0.835 1.00 10.00 C ATOM 1081 C THR A 83 -8.789 2.085 -1.735 1.00 10.00 C ATOM 1082 O THR A 83 -8.736 2.658 -2.822 1.00 10.00 O ATOM 1083 CB THR A 83 -11.138 1.301 -1.369 1.00 10.00 C ATOM 1084 OG1 THR A 83 -12.412 1.818 -0.962 1.00 10.00 O ATOM 1085 CG2 THR A 83 -10.977 -0.120 -0.847 1.00 10.00 C ATOM 0 H THR A 83 -10.744 4.016 -1.612 1.00 10.00 H new ATOM 0 HA THR A 83 -9.743 1.892 0.170 1.00 10.00 H new ATOM 0 HB THR A 83 -11.077 1.281 -2.457 1.00 10.00 H new ATOM 0 HG1 THR A 83 -13.125 1.239 -1.304 1.00 10.00 H new ATOM 0 HG21 THR A 83 -11.780 -0.744 -1.238 1.00 10.00 H new ATOM 0 HG22 THR A 83 -10.016 -0.520 -1.171 1.00 10.00 H new ATOM 0 HG23 THR A 83 -11.019 -0.114 0.242 1.00 10.00 H new ATOM 1093 N ILE A 84 -7.799 1.345 -1.260 1.00 10.00 N ATOM 1094 CA ILE A 84 -6.569 1.122 -2.003 1.00 10.00 C ATOM 1095 C ILE A 84 -6.596 -0.260 -2.655 1.00 10.00 C ATOM 1096 O ILE A 84 -7.068 -1.229 -2.054 1.00 10.00 O ATOM 1097 CB ILE A 84 -5.335 1.246 -1.081 1.00 10.00 C ATOM 1098 CG1 ILE A 84 -5.331 2.613 -0.391 1.00 10.00 C ATOM 1099 CG2 ILE A 84 -4.048 1.044 -1.868 1.00 10.00 C ATOM 1100 CD1 ILE A 84 -4.303 2.742 0.711 1.00 10.00 C ATOM 0 H ILE A 84 -7.826 0.883 -0.351 1.00 10.00 H new ATOM 0 HA ILE A 84 -6.495 1.885 -2.778 1.00 10.00 H new ATOM 0 HB ILE A 84 -5.392 0.467 -0.321 1.00 10.00 H new ATOM 0 HG12 ILE A 84 -5.147 3.385 -1.138 1.00 10.00 H new ATOM 0 HG13 ILE A 84 -6.321 2.802 0.025 1.00 10.00 H new ATOM 0 HG21 ILE A 84 -3.193 1.136 -1.198 1.00 10.00 H new ATOM 0 HG22 ILE A 84 -4.050 0.052 -2.320 1.00 10.00 H new ATOM 0 HG23 ILE A 84 -3.978 1.799 -2.651 1.00 10.00 H new ATOM 0 HD11 ILE A 84 -4.363 3.738 1.150 1.00 10.00 H new ATOM 0 HD12 ILE A 84 -4.498 1.994 1.480 1.00 10.00 H new ATOM 0 HD13 ILE A 84 -3.306 2.587 0.299 1.00 10.00 H new ATOM 1112 N ASP A 85 -6.103 -0.338 -3.884 1.00 10.00 N ATOM 1113 CA ASP A 85 -6.078 -1.591 -4.631 1.00 10.00 C ATOM 1114 C ASP A 85 -4.784 -2.353 -4.372 1.00 10.00 C ATOM 1115 O ASP A 85 -3.702 -1.763 -4.343 1.00 10.00 O ATOM 1116 CB ASP A 85 -6.204 -1.321 -6.134 1.00 10.00 C ATOM 1117 CG ASP A 85 -7.462 -0.564 -6.505 1.00 10.00 C ATOM 1118 OD1 ASP A 85 -8.562 -1.019 -6.144 1.00 10.00 O ATOM 1119 OD2 ASP A 85 -7.351 0.486 -7.178 1.00 10.00 O ATOM 0 H ASP A 85 -5.712 0.457 -4.389 1.00 10.00 H new ATOM 0 HA ASP A 85 -6.922 -2.193 -4.295 1.00 10.00 H new ATOM 0 HB2 ASP A 85 -5.335 -0.753 -6.468 1.00 10.00 H new ATOM 0 HB3 ASP A 85 -6.189 -2.271 -6.669 1.00 10.00 H new ATOM 1124 N VAL A 86 -4.902 -3.664 -4.187 1.00 10.00 N ATOM 1125 CA VAL A 86 -3.743 -4.516 -3.942 1.00 10.00 C ATOM 1126 C VAL A 86 -3.735 -5.690 -4.918 1.00 10.00 C ATOM 1127 O VAL A 86 -4.707 -6.444 -5.003 1.00 10.00 O ATOM 1128 CB VAL A 86 -3.725 -5.067 -2.499 1.00 10.00 C ATOM 1129 CG1 VAL A 86 -2.460 -5.875 -2.248 1.00 10.00 C ATOM 1130 CG2 VAL A 86 -3.846 -3.939 -1.486 1.00 10.00 C ATOM 0 H VAL A 86 -5.792 -4.161 -4.202 1.00 10.00 H new ATOM 0 HA VAL A 86 -2.857 -3.898 -4.087 1.00 10.00 H new ATOM 0 HB VAL A 86 -4.585 -5.726 -2.379 1.00 10.00 H new ATOM 0 HG11 VAL A 86 -2.467 -6.254 -1.226 1.00 10.00 H new ATOM 0 HG12 VAL A 86 -2.419 -6.712 -2.945 1.00 10.00 H new ATOM 0 HG13 VAL A 86 -1.587 -5.239 -2.393 1.00 10.00 H new ATOM 0 HG21 VAL A 86 -3.831 -4.352 -0.478 1.00 10.00 H new ATOM 0 HG22 VAL A 86 -3.011 -3.249 -1.608 1.00 10.00 H new ATOM 0 HG23 VAL A 86 -4.783 -3.406 -1.646 1.00 10.00 H new ATOM 1140 N PHE A 87 -2.646 -5.831 -5.661 1.00 10.00 N ATOM 1141 CA PHE A 87 -2.507 -6.911 -6.633 1.00 10.00 C ATOM 1142 C PHE A 87 -1.162 -7.603 -6.461 1.00 10.00 C ATOM 1143 O PHE A 87 -0.345 -7.180 -5.644 1.00 10.00 O ATOM 1144 CB PHE A 87 -2.628 -6.374 -8.063 1.00 10.00 C ATOM 1145 CG PHE A 87 -3.860 -5.550 -8.300 1.00 10.00 C ATOM 1146 CD1 PHE A 87 -5.114 -6.139 -8.302 1.00 10.00 C ATOM 1147 CD2 PHE A 87 -3.765 -4.184 -8.505 1.00 10.00 C ATOM 1148 CE1 PHE A 87 -6.250 -5.382 -8.516 1.00 10.00 C ATOM 1149 CE2 PHE A 87 -4.897 -3.421 -8.721 1.00 10.00 C ATOM 1150 CZ PHE A 87 -6.142 -4.021 -8.720 1.00 10.00 C ATOM 0 H PHE A 87 -1.840 -5.208 -5.610 1.00 10.00 H new ATOM 0 HA PHE A 87 -3.308 -7.629 -6.459 1.00 10.00 H new ATOM 0 HB2 PHE A 87 -1.749 -5.770 -8.290 1.00 10.00 H new ATOM 0 HB3 PHE A 87 -2.625 -7.214 -8.758 1.00 10.00 H new ATOM 0 HD1 PHE A 87 -5.205 -7.202 -8.134 1.00 10.00 H new ATOM 0 HD2 PHE A 87 -2.795 -3.709 -8.496 1.00 10.00 H new ATOM 0 HE1 PHE A 87 -7.221 -5.855 -8.524 1.00 10.00 H new ATOM 0 HE2 PHE A 87 -4.809 -2.358 -8.890 1.00 10.00 H new ATOM 0 HZ PHE A 87 -7.029 -3.426 -8.879 1.00 10.00 H new ATOM 1160 N GLN A 88 -0.933 -8.656 -7.231 1.00 10.00 N ATOM 1161 CA GLN A 88 0.321 -9.394 -7.163 1.00 10.00 C ATOM 1162 C GLN A 88 1.010 -9.382 -8.516 1.00 10.00 C ATOM 1163 O GLN A 88 0.348 -9.335 -9.554 1.00 10.00 O ATOM 1164 CB GLN A 88 0.079 -10.838 -6.718 1.00 10.00 C ATOM 1165 CG GLN A 88 -0.371 -10.956 -5.272 1.00 10.00 C ATOM 1166 CD GLN A 88 0.357 -12.050 -4.514 1.00 10.00 C ATOM 1167 OE1 GLN A 88 1.500 -12.393 -4.824 1.00 10.00 O ATOM 1168 NE2 GLN A 88 -0.302 -12.605 -3.510 1.00 10.00 N ATOM 0 H GLN A 88 -1.600 -9.020 -7.912 1.00 10.00 H new ATOM 0 HA GLN A 88 0.963 -8.907 -6.429 1.00 10.00 H new ATOM 0 HB2 GLN A 88 -0.675 -11.288 -7.363 1.00 10.00 H new ATOM 0 HB3 GLN A 88 0.997 -11.411 -6.853 1.00 10.00 H new ATOM 0 HG2 GLN A 88 -0.210 -10.003 -4.768 1.00 10.00 H new ATOM 0 HG3 GLN A 88 -1.443 -11.154 -5.245 1.00 10.00 H new ATOM 0 HE21 GLN A 88 -1.247 -12.293 -3.285 1.00 10.00 H new ATOM 0 HE22 GLN A 88 0.135 -13.345 -2.961 1.00 10.00 H new ATOM 1177 N GLN A 89 2.334 -9.411 -8.505 1.00 10.00 N ATOM 1178 CA GLN A 89 3.100 -9.403 -9.740 1.00 10.00 C ATOM 1179 C GLN A 89 3.192 -10.811 -10.315 1.00 10.00 C ATOM 1180 O GLN A 89 3.586 -11.752 -9.621 1.00 10.00 O ATOM 1181 CB GLN A 89 4.502 -8.836 -9.492 1.00 10.00 C ATOM 1182 CG GLN A 89 5.267 -8.517 -10.766 1.00 10.00 C ATOM 1183 CD GLN A 89 4.546 -7.520 -11.653 1.00 10.00 C ATOM 1184 OE1 GLN A 89 3.800 -6.662 -11.175 1.00 10.00 O ATOM 1185 NE2 GLN A 89 4.763 -7.627 -12.952 1.00 10.00 N ATOM 0 H GLN A 89 2.899 -9.440 -7.656 1.00 10.00 H new ATOM 0 HA GLN A 89 2.590 -8.766 -10.462 1.00 10.00 H new ATOM 0 HB2 GLN A 89 4.417 -7.929 -8.893 1.00 10.00 H new ATOM 0 HB3 GLN A 89 5.075 -9.553 -8.904 1.00 10.00 H new ATOM 0 HG2 GLN A 89 6.248 -8.120 -10.505 1.00 10.00 H new ATOM 0 HG3 GLN A 89 5.434 -9.438 -11.324 1.00 10.00 H new ATOM 0 HE21 GLN A 89 5.388 -8.351 -13.307 1.00 10.00 H new ATOM 0 HE22 GLN A 89 4.306 -6.986 -13.600 1.00 10.00 H new ATOM 1194 N GLN A 90 2.812 -10.943 -11.580 1.00 10.00 N ATOM 1195 CA GLN A 90 2.840 -12.223 -12.274 1.00 10.00 C ATOM 1196 C GLN A 90 4.248 -12.805 -12.282 1.00 10.00 C ATOM 1197 O GLN A 90 5.224 -12.093 -12.517 1.00 10.00 O ATOM 1198 CB GLN A 90 2.339 -12.061 -13.712 1.00 10.00 C ATOM 1199 CG GLN A 90 0.827 -11.949 -13.832 1.00 10.00 C ATOM 1200 CD GLN A 90 0.279 -10.636 -13.306 1.00 10.00 C ATOM 1201 OE1 GLN A 90 0.952 -9.605 -13.335 1.00 10.00 O ATOM 1202 NE2 GLN A 90 -0.952 -10.668 -12.823 1.00 10.00 N ATOM 0 H GLN A 90 2.477 -10.168 -12.152 1.00 10.00 H new ATOM 0 HA GLN A 90 2.182 -12.909 -11.741 1.00 10.00 H new ATOM 0 HB2 GLN A 90 2.794 -11.171 -14.146 1.00 10.00 H new ATOM 0 HB3 GLN A 90 2.678 -12.913 -14.302 1.00 10.00 H new ATOM 0 HG2 GLN A 90 0.543 -12.060 -14.879 1.00 10.00 H new ATOM 0 HG3 GLN A 90 0.364 -12.772 -13.287 1.00 10.00 H new ATOM 0 HE21 GLN A 90 -1.475 -11.544 -12.818 1.00 10.00 H new ATOM 0 HE22 GLN A 90 -1.378 -9.817 -12.456 1.00 10.00 H new ATOM 1211 N THR A 91 4.342 -14.100 -12.012 1.00 10.00 N ATOM 1212 CA THR A 91 5.618 -14.793 -11.980 1.00 10.00 C ATOM 1213 C THR A 91 6.254 -14.861 -13.367 1.00 10.00 C ATOM 1214 O THR A 91 7.472 -14.742 -13.509 1.00 10.00 O ATOM 1215 CB THR A 91 5.435 -16.219 -11.436 1.00 10.00 C ATOM 1216 OG1 THR A 91 4.041 -16.471 -11.205 1.00 10.00 O ATOM 1217 CG2 THR A 91 6.210 -16.414 -10.143 1.00 10.00 C ATOM 0 H THR A 91 3.539 -14.695 -11.810 1.00 10.00 H new ATOM 0 HA THR A 91 6.280 -14.229 -11.323 1.00 10.00 H new ATOM 0 HB THR A 91 5.820 -16.921 -12.176 1.00 10.00 H new ATOM 0 HG1 THR A 91 3.742 -15.964 -10.421 1.00 10.00 H new ATOM 0 HG21 THR A 91 6.063 -17.431 -9.780 1.00 10.00 H new ATOM 0 HG22 THR A 91 7.271 -16.244 -10.326 1.00 10.00 H new ATOM 0 HG23 THR A 91 5.853 -15.707 -9.394 1.00 10.00 H new ATOM 1225 N GLY A 92 5.431 -15.055 -14.385 1.00 10.00 N ATOM 1226 CA GLY A 92 5.944 -15.133 -15.735 1.00 10.00 C ATOM 1227 C GLY A 92 5.145 -16.090 -16.583 1.00 10.00 C ATOM 1228 O GLY A 92 3.912 -16.150 -16.406 1.00 10.00 O ATOM 0 H GLY A 92 4.420 -15.160 -14.301 1.00 10.00 H new ATOM 0 HA2 GLY A 92 5.925 -14.142 -16.189 1.00 10.00 H new ATOM 0 HA3 GLY A 92 6.986 -15.452 -15.710 1.00 10.00 H new TER 1232 GLY A 92 ATOM 1233 N ASN B 357 -14.724 -11.560 6.193 1.00 10.00 N ATOM 1234 CA ASN B 357 -13.835 -10.384 6.071 1.00 10.00 C ATOM 1235 C ASN B 357 -13.339 -9.965 7.445 1.00 10.00 C ATOM 1236 O ASN B 357 -14.029 -10.147 8.449 1.00 10.00 O ATOM 1237 CB ASN B 357 -14.555 -9.210 5.387 1.00 10.00 C ATOM 1238 CG ASN B 357 -15.740 -8.660 6.178 1.00 10.00 C ATOM 1239 OD1 ASN B 357 -16.002 -7.364 6.030 1.00 10.00 O flip ATOM 1240 ND2 ASN B 357 -16.417 -9.383 6.905 1.00 10.00 N flip ATOM 0 HA ASN B 357 -12.984 -10.664 5.450 1.00 10.00 H new ATOM 0 HB2 ASN B 357 -13.838 -8.406 5.220 1.00 10.00 H new ATOM 0 HB3 ASN B 357 -14.905 -9.534 4.407 1.00 10.00 H new ATOM 0 HD21 ASN B 357 -16.188 -10.373 6.996 1.00 10.00 H new ATOM 0 HD22 ASN B 357 -17.208 -8.993 7.418 1.00 10.00 H new ATOM 1247 N ASN B 358 -12.134 -9.431 7.497 1.00 10.00 N ATOM 1248 CA ASN B 358 -11.559 -8.996 8.764 1.00 10.00 C ATOM 1249 C ASN B 358 -11.204 -7.518 8.729 1.00 10.00 C ATOM 1250 O ASN B 358 -10.595 -7.043 7.771 1.00 10.00 O ATOM 1251 CB ASN B 358 -10.318 -9.831 9.128 1.00 10.00 C ATOM 1252 CG ASN B 358 -9.240 -9.797 8.056 1.00 10.00 C ATOM 1253 OD1 ASN B 358 -8.431 -8.869 7.992 1.00 10.00 O ATOM 1254 ND2 ASN B 358 -9.213 -10.814 7.213 1.00 10.00 N ATOM 0 H ASN B 358 -11.534 -9.287 6.685 1.00 10.00 H new ATOM 0 HA ASN B 358 -12.316 -9.150 9.533 1.00 10.00 H new ATOM 0 HB2 ASN B 358 -9.902 -9.462 10.065 1.00 10.00 H new ATOM 0 HB3 ASN B 358 -10.620 -10.864 9.298 1.00 10.00 H new ATOM 0 HD21 ASN B 358 -8.506 -10.849 6.478 1.00 10.00 H new ATOM 0 HD22 ASN B 358 -9.899 -11.564 7.297 1.00 10.00 H new ATOM 1261 N ARG B 359 -11.625 -6.774 9.746 1.00 10.00 N ATOM 1262 CA ARG B 359 -11.291 -5.358 9.801 1.00 10.00 C ATOM 1263 C ARG B 359 -10.511 -5.037 11.079 1.00 10.00 C ATOM 1264 O ARG B 359 -10.978 -5.281 12.196 1.00 10.00 O ATOM 1265 CB ARG B 359 -12.560 -4.494 9.714 1.00 10.00 C ATOM 1266 CG ARG B 359 -13.705 -4.999 10.575 1.00 10.00 C ATOM 1267 CD ARG B 359 -14.968 -4.172 10.382 1.00 10.00 C ATOM 1268 NE ARG B 359 -16.168 -5.010 10.383 1.00 10.00 N ATOM 1269 CZ ARG B 359 -17.417 -4.543 10.348 1.00 10.00 C ATOM 1270 NH1 ARG B 359 -17.650 -3.238 10.381 1.00 10.00 N ATOM 1271 NH2 ARG B 359 -18.437 -5.386 10.308 1.00 10.00 N ATOM 0 H ARG B 359 -12.185 -7.118 10.526 1.00 10.00 H new ATOM 0 HA ARG B 359 -10.659 -5.125 8.944 1.00 10.00 H new ATOM 0 HB2 ARG B 359 -12.315 -3.475 10.012 1.00 10.00 H new ATOM 0 HB3 ARG B 359 -12.889 -4.452 8.676 1.00 10.00 H new ATOM 0 HG2 ARG B 359 -13.912 -6.041 10.329 1.00 10.00 H new ATOM 0 HG3 ARG B 359 -13.410 -4.972 11.624 1.00 10.00 H new ATOM 0 HD2 ARG B 359 -15.042 -3.429 11.176 1.00 10.00 H new ATOM 0 HD3 ARG B 359 -14.906 -3.626 9.440 1.00 10.00 H new ATOM 0 HE ARG B 359 -16.040 -6.022 10.413 1.00 10.00 H new ATOM 0 HH11 ARG B 359 -16.871 -2.582 10.434 1.00 10.00 H new ATOM 0 HH12 ARG B 359 -18.608 -2.890 10.354 1.00 10.00 H new ATOM 0 HH21 ARG B 359 -18.267 -6.392 10.304 1.00 10.00 H new ATOM 0 HH22 ARG B 359 -19.392 -5.030 10.281 1.00 10.00 H new ATOM 1285 N ASP B 360 -9.312 -4.516 10.885 1.00 10.00 N ATOM 1286 CA ASP B 360 -8.421 -4.123 11.969 1.00 10.00 C ATOM 1287 C ASP B 360 -7.900 -2.701 11.733 1.00 10.00 C ATOM 1288 O ASP B 360 -7.625 -2.341 10.591 1.00 10.00 O ATOM 1289 CB ASP B 360 -7.294 -5.140 12.160 1.00 10.00 C ATOM 1290 CG ASP B 360 -6.005 -4.760 11.473 1.00 10.00 C ATOM 1291 OD1 ASP B 360 -5.120 -4.189 12.141 1.00 10.00 O ATOM 1292 OD2 ASP B 360 -5.863 -5.062 10.275 1.00 10.00 O ATOM 0 H ASP B 360 -8.922 -4.351 9.957 1.00 10.00 H new ATOM 0 HA ASP B 360 -8.983 -4.115 12.903 1.00 10.00 H new ATOM 0 HB2 ASP B 360 -7.104 -5.261 13.226 1.00 10.00 H new ATOM 0 HB3 ASP B 360 -7.624 -6.108 11.783 1.00 10.00 H new ATOM 1297 N PRO B 361 -7.772 -1.854 12.769 1.00 10.00 N ATOM 1298 CA PRO B 361 -7.297 -0.488 12.597 1.00 10.00 C ATOM 1299 C PRO B 361 -5.853 -0.306 13.079 1.00 10.00 C ATOM 1300 O PRO B 361 -5.485 -0.678 14.196 1.00 10.00 O ATOM 1301 CB PRO B 361 -8.252 0.275 13.517 1.00 10.00 C ATOM 1302 CG PRO B 361 -8.647 -0.709 14.588 1.00 10.00 C ATOM 1303 CD PRO B 361 -8.184 -2.083 14.152 1.00 10.00 C ATOM 0 HA PRO B 361 -7.288 -0.165 11.556 1.00 10.00 H new ATOM 0 HB2 PRO B 361 -7.767 1.151 13.948 1.00 10.00 H new ATOM 0 HB3 PRO B 361 -9.125 0.631 12.969 1.00 10.00 H new ATOM 0 HG2 PRO B 361 -8.193 -0.438 15.541 1.00 10.00 H new ATOM 0 HG3 PRO B 361 -9.727 -0.699 14.735 1.00 10.00 H new ATOM 0 HD2 PRO B 361 -7.360 -2.447 14.766 1.00 10.00 H new ATOM 0 HD3 PRO B 361 -8.983 -2.821 14.220 1.00 10.00 H new ATOM 1311 N ILE B 362 -5.043 0.282 12.202 1.00 10.00 N ATOM 1312 CA ILE B 362 -3.618 0.494 12.448 1.00 10.00 C ATOM 1313 C ILE B 362 -3.272 1.973 12.432 1.00 10.00 C ATOM 1314 O ILE B 362 -3.703 2.701 11.546 1.00 10.00 O ATOM 1315 CB ILE B 362 -2.761 -0.219 11.371 1.00 10.00 C ATOM 1316 CG1 ILE B 362 -3.438 -1.514 10.910 1.00 10.00 C ATOM 1317 CG2 ILE B 362 -1.359 -0.504 11.892 1.00 10.00 C ATOM 1318 CD1 ILE B 362 -3.186 -1.824 9.450 1.00 10.00 C ATOM 0 H ILE B 362 -5.358 0.627 11.295 1.00 10.00 H new ATOM 0 HA ILE B 362 -3.399 0.079 13.432 1.00 10.00 H new ATOM 0 HB ILE B 362 -2.675 0.448 10.513 1.00 10.00 H new ATOM 0 HG12 ILE B 362 -3.078 -2.343 11.519 1.00 10.00 H new ATOM 0 HG13 ILE B 362 -4.512 -1.437 11.080 1.00 10.00 H new ATOM 0 HG21 ILE B 362 -0.778 -1.005 11.118 1.00 10.00 H new ATOM 0 HG22 ILE B 362 -0.873 0.434 12.161 1.00 10.00 H new ATOM 0 HG23 ILE B 362 -1.421 -1.146 12.771 1.00 10.00 H new ATOM 0 HD11 ILE B 362 -3.691 -2.752 9.183 1.00 10.00 H new ATOM 0 HD12 ILE B 362 -3.571 -1.011 8.834 1.00 10.00 H new ATOM 0 HD13 ILE B 362 -2.115 -1.932 9.281 1.00 10.00 H new ATOM 1330 N VAL B 363 -2.510 2.420 13.411 1.00 10.00 N ATOM 1331 CA VAL B 363 -2.118 3.811 13.462 1.00 10.00 C ATOM 1332 C VAL B 363 -0.610 3.917 13.330 1.00 10.00 C ATOM 1333 O VAL B 363 0.138 3.271 14.065 1.00 10.00 O ATOM 1334 CB VAL B 363 -2.543 4.472 14.791 1.00 10.00 C ATOM 1335 CG1 VAL B 363 -2.223 5.961 14.783 1.00 10.00 C ATOM 1336 CG2 VAL B 363 -4.019 4.224 15.072 1.00 10.00 C ATOM 0 H VAL B 363 -2.154 1.845 14.174 1.00 10.00 H new ATOM 0 HA VAL B 363 -2.616 4.327 12.641 1.00 10.00 H new ATOM 0 HB VAL B 363 -1.970 4.014 15.598 1.00 10.00 H new ATOM 0 HG11 VAL B 363 -2.532 6.405 15.730 1.00 10.00 H new ATOM 0 HG12 VAL B 363 -1.151 6.102 14.649 1.00 10.00 H new ATOM 0 HG13 VAL B 363 -2.758 6.444 13.965 1.00 10.00 H new ATOM 0 HG21 VAL B 363 -4.295 4.699 16.013 1.00 10.00 H new ATOM 0 HG22 VAL B 363 -4.619 4.644 14.264 1.00 10.00 H new ATOM 0 HG23 VAL B 363 -4.201 3.151 15.140 1.00 10.00 H new ATOM 1346 N ILE B 364 -0.178 4.719 12.371 1.00 10.00 N ATOM 1347 CA ILE B 364 1.238 4.954 12.127 1.00 10.00 C ATOM 1348 C ILE B 364 1.531 6.443 12.252 1.00 10.00 C ATOM 1349 O ILE B 364 0.817 7.270 11.685 1.00 10.00 O ATOM 1350 CB ILE B 364 1.689 4.465 10.729 1.00 10.00 C ATOM 1351 CG1 ILE B 364 1.416 2.971 10.552 1.00 10.00 C ATOM 1352 CG2 ILE B 364 3.171 4.753 10.521 1.00 10.00 C ATOM 1353 CD1 ILE B 364 1.673 2.466 9.145 1.00 10.00 C ATOM 0 H ILE B 364 -0.798 5.226 11.739 1.00 10.00 H new ATOM 0 HA ILE B 364 1.795 4.384 12.871 1.00 10.00 H new ATOM 0 HB ILE B 364 1.111 5.008 9.981 1.00 10.00 H new ATOM 0 HG12 ILE B 364 2.040 2.412 11.249 1.00 10.00 H new ATOM 0 HG13 ILE B 364 0.379 2.766 10.818 1.00 10.00 H new ATOM 0 HG21 ILE B 364 3.474 4.404 9.534 1.00 10.00 H new ATOM 0 HG22 ILE B 364 3.347 5.826 10.596 1.00 10.00 H new ATOM 0 HG23 ILE B 364 3.753 4.235 11.284 1.00 10.00 H new ATOM 0 HD11 ILE B 364 1.458 1.399 9.097 1.00 10.00 H new ATOM 0 HD12 ILE B 364 1.030 2.998 8.444 1.00 10.00 H new ATOM 0 HD13 ILE B 364 2.717 2.638 8.882 1.00 10.00 H new ATOM 1365 N SER B 365 2.551 6.784 13.019 1.00 10.00 N ATOM 1366 CA SER B 365 2.936 8.175 13.207 1.00 10.00 C ATOM 1367 C SER B 365 4.374 8.396 12.746 1.00 10.00 C ATOM 1368 O SER B 365 5.271 7.638 13.112 1.00 10.00 O ATOM 1369 CB SER B 365 2.766 8.562 14.674 1.00 10.00 C ATOM 1370 OG SER B 365 1.476 8.189 15.128 1.00 10.00 O ATOM 0 H SER B 365 3.131 6.115 13.525 1.00 10.00 H new ATOM 0 HA SER B 365 2.290 8.811 12.602 1.00 10.00 H new ATOM 0 HB2 SER B 365 3.529 8.072 15.279 1.00 10.00 H new ATOM 0 HB3 SER B 365 2.906 9.636 14.794 1.00 10.00 H new ATOM 0 HG SER B 365 1.376 8.439 16.070 1.00 10.00 H new ATOM 1376 N ASP B 366 4.593 9.419 11.929 1.00 10.00 N ATOM 1377 CA ASP B 366 5.933 9.711 11.433 1.00 10.00 C ATOM 1378 C ASP B 366 6.372 11.102 11.857 1.00 10.00 C ATOM 1379 O ASP B 366 5.619 12.071 11.715 1.00 10.00 O ATOM 1380 CB ASP B 366 5.991 9.583 9.913 1.00 10.00 C ATOM 1381 CG ASP B 366 7.399 9.330 9.409 1.00 10.00 C ATOM 1382 OD1 ASP B 366 8.244 8.856 10.196 1.00 10.00 O ATOM 1383 OD2 ASP B 366 7.664 9.577 8.215 1.00 10.00 O ATOM 0 H ASP B 366 3.868 10.055 11.598 1.00 10.00 H new ATOM 0 HA ASP B 366 6.616 8.982 11.868 1.00 10.00 H new ATOM 0 HB2 ASP B 366 5.342 8.768 9.594 1.00 10.00 H new ATOM 0 HB3 ASP B 366 5.604 10.495 9.459 1.00 10.00 H new ATOM 1388 N SER B 367 7.577 11.191 12.403 1.00 10.00 N ATOM 1389 CA SER B 367 8.124 12.463 12.864 1.00 10.00 C ATOM 1390 C SER B 367 9.184 12.994 11.894 1.00 10.00 C ATOM 1391 O SER B 367 9.914 12.215 11.282 1.00 10.00 O ATOM 1392 CB SER B 367 8.739 12.278 14.249 1.00 10.00 C ATOM 1393 OG SER B 367 7.920 11.448 15.062 1.00 10.00 O ATOM 0 H SER B 367 8.199 10.394 12.539 1.00 10.00 H new ATOM 0 HA SER B 367 7.314 13.190 12.911 1.00 10.00 H new ATOM 0 HB2 SER B 367 9.731 11.836 14.155 1.00 10.00 H new ATOM 0 HB3 SER B 367 8.867 13.249 14.727 1.00 10.00 H new ATOM 0 HG SER B 367 8.335 11.342 15.944 1.00 10.00 H new ATOM 1399 N PRO B 368 9.268 14.331 11.732 1.00 10.00 N ATOM 1400 CA PRO B 368 10.250 14.962 10.846 1.00 10.00 C ATOM 1401 C PRO B 368 11.656 14.948 11.451 1.00 10.00 C ATOM 1402 O PRO B 368 11.999 15.886 12.206 1.00 10.00 O ATOM 1403 CB PRO B 368 9.719 16.394 10.697 1.00 10.00 C ATOM 1404 CG PRO B 368 8.943 16.655 11.943 1.00 10.00 C ATOM 1405 CD PRO B 368 8.391 15.327 12.389 1.00 10.00 C ATOM 0 HA PRO B 368 10.353 14.442 9.894 1.00 10.00 H new ATOM 0 HB2 PRO B 368 10.536 17.107 10.585 1.00 10.00 H new ATOM 0 HB3 PRO B 368 9.089 16.490 9.813 1.00 10.00 H new ATOM 0 HG2 PRO B 368 9.581 17.089 12.713 1.00 10.00 H new ATOM 0 HG3 PRO B 368 8.139 17.367 11.757 1.00 10.00 H new ATOM 0 HD2 PRO B 368 8.419 15.228 13.474 1.00 10.00 H new ATOM 0 HD3 PRO B 368 7.352 15.205 12.084 1.00 10.00 H new TER 1413 PRO B 368