USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1102 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 37 LYS NZ :NH3+ -121:sc= 0.219 (180deg=-0.133) USER MOD Set 1.2: B 91 TYR OH : rot 15:sc= 0.00164 USER MOD Set 2.1: B 52 SER OG : rot 180:sc= -0.587 USER MOD Set 2.2: B 54 SER OG : rot 180:sc= 0 USER MOD Set 3.1: B 46 SER OG : rot 180:sc= 0.981 USER MOD Set 3.2: B 49 GLN : amide:sc= -0.817! C(o=0.16!,f=-2.8!) USER MOD Set 4.1: B 42 ASN : amide:sc= -2.72! K(o=-1.5!,f=0.8) USER MOD Set 4.2: B 44 SER OG : rot -81:sc= 1.2 USER MOD Set 5.1: A 24 GLN : amide:sc= 0.702 K(o=0.54,f=-1.4) USER MOD Set 5.2: A 73 HIS : no HE2:sc= -1.01 K(o=0.54,f=-4.2!) USER MOD Set 5.3: B 24 GLN : amide:sc= 0.848 K(o=0.54,f=-6.1!) USER MOD Set 6.1: A 26 SER OG : rot 178:sc= 0.241 USER MOD Set 6.2: A 28 GLN : amide:sc= -0.527 X(o=-0.29,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -78:sc= 1.01 USER MOD Single : A 32 HIS : no HE2:sc= 0.0954 K(o=0.095,f=-3.6!) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0832 (180deg=-0.413) USER MOD Single : A 37 LYS NZ :NH3+ 173:sc= -0.0773 (180deg=-0.429) USER MOD Single : A 40 THR OG1 : rot -101:sc= 1.26 USER MOD Single : A 42 ASN : amide:sc= -5.18! K(o=-5.2!,f=-0.47) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.911 X(o=-0.91,f=-1.1) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -27:sc= 1.17 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -89:sc= 1.27 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.619 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -1.8 K(o=-1.8,f=-0.41) USER MOD Single : A 91 TYR OH : rot 43:sc= 1.28 USER MOD Single : A 92 ASN : amide:sc= 1.28 K(o=1.3,f=-7.3!) USER MOD Single : B 26 SER OG : rot 180:sc= 0 USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 GLN : amide:sc= -0.634! C(o=-0.63!,f=-4.4!) USER MOD Single : B 31 SER OG : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HD1:sc= 0.992 K(o=0.99,f=-3.1!) USER MOD Single : B 34 LYS NZ :NH3+ -175:sc= 1.27 (180deg=1.18) USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 GLN : amide:sc= -2.74! C(o=-2.7!,f=-4.3!) USER MOD Single : B 51 SER OG : rot 180:sc= 0 USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 61 SER OG : rot -74:sc= 1.18 USER MOD Single : B 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 70 LYS NZ :NH3+ -168:sc= -0.0303 (180deg=-0.194) USER MOD Single : B 71 TYR OH : rot 29:sc= 1.25 USER MOD Single : B 72 TYR OH : rot 120:sc= -0.273 USER MOD Single : B 73 HIS : no HE2:sc= -0.446 K(o=-0.45,f=-6.9!) USER MOD Single : B 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 83 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : B 92 ASN : amide:sc= 1.18 K(o=1.2,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 22 -6.167 -5.895 -8.580 1.00 0.00 N ATOM 2 CA ALA A 22 -6.628 -4.870 -7.618 1.00 0.00 C ATOM 3 C ALA A 22 -5.442 -4.071 -7.098 1.00 0.00 C ATOM 4 O ALA A 22 -4.340 -4.600 -6.972 1.00 0.00 O ATOM 5 CB ALA A 22 -7.392 -5.514 -6.471 1.00 0.00 C ATOM 0 HA ALA A 22 -7.307 -4.189 -8.131 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.722 -4.743 -5.775 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.260 -6.044 -6.864 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.742 -6.218 -5.951 1.00 0.00 H new ATOM 13 N GLU A 23 -5.670 -2.806 -6.781 1.00 0.00 N ATOM 14 CA GLU A 23 -4.589 -1.920 -6.381 1.00 0.00 C ATOM 15 C GLU A 23 -4.486 -1.807 -4.864 1.00 0.00 C ATOM 16 O GLU A 23 -5.472 -1.534 -4.178 1.00 0.00 O ATOM 17 CB GLU A 23 -4.791 -0.539 -7.004 1.00 0.00 C ATOM 18 CG GLU A 23 -4.627 -0.538 -8.514 1.00 0.00 C ATOM 19 CD GLU A 23 -5.058 0.763 -9.155 1.00 0.00 C ATOM 20 OE1 GLU A 23 -4.529 1.827 -8.773 1.00 0.00 O ATOM 21 OE2 GLU A 23 -5.920 0.721 -10.058 1.00 0.00 O ATOM 0 H GLU A 23 -6.592 -2.371 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.653 -2.346 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.787 -0.175 -6.752 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.077 0.159 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.583 -0.730 -8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.210 -1.356 -8.938 1.00 0.00 H new ATOM 28 N GLN A 24 -3.284 -2.038 -4.356 1.00 0.00 N ATOM 29 CA GLN A 24 -2.996 -1.894 -2.937 1.00 0.00 C ATOM 30 C GLN A 24 -2.650 -0.435 -2.656 1.00 0.00 C ATOM 31 O GLN A 24 -1.678 0.092 -3.202 1.00 0.00 O ATOM 32 CB GLN A 24 -1.822 -2.807 -2.551 1.00 0.00 C ATOM 33 CG GLN A 24 -1.813 -3.286 -1.099 1.00 0.00 C ATOM 34 CD GLN A 24 -1.709 -2.167 -0.080 1.00 0.00 C ATOM 35 OE1 GLN A 24 -2.716 -1.678 0.430 1.00 0.00 O ATOM 36 NE2 GLN A 24 -0.489 -1.759 0.226 1.00 0.00 N ATOM 0 H GLN A 24 -2.482 -2.330 -4.915 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.865 -2.182 -2.345 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.833 -3.680 -3.204 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.891 -2.275 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.724 -3.853 -0.909 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.976 -3.970 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.320 -2.191 -0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.357 -1.012 0.908 1.00 0.00 H new ATOM 45 N VAL A 25 -3.456 0.215 -1.833 1.00 0.00 N ATOM 46 CA VAL A 25 -3.249 1.621 -1.510 1.00 0.00 C ATOM 47 C VAL A 25 -3.253 1.834 -0.001 1.00 0.00 C ATOM 48 O VAL A 25 -3.833 1.044 0.744 1.00 0.00 O ATOM 49 CB VAL A 25 -4.321 2.522 -2.164 1.00 0.00 C ATOM 50 CG1 VAL A 25 -4.113 2.597 -3.669 1.00 0.00 C ATOM 51 CG2 VAL A 25 -5.720 2.014 -1.848 1.00 0.00 C ATOM 0 H VAL A 25 -4.263 -0.208 -1.374 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.275 1.902 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.218 3.525 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.878 3.236 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.127 3.012 -3.880 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.185 1.597 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.458 2.664 -2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.834 0.999 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.872 2.014 -0.769 1.00 0.00 H new ATOM 61 N SER A 26 -2.603 2.895 0.446 1.00 0.00 N ATOM 62 CA SER A 26 -2.481 3.177 1.864 1.00 0.00 C ATOM 63 C SER A 26 -3.688 3.973 2.359 1.00 0.00 C ATOM 64 O SER A 26 -4.499 4.461 1.567 1.00 0.00 O ATOM 65 CB SER A 26 -1.177 3.935 2.147 1.00 0.00 C ATOM 66 OG SER A 26 -0.940 4.060 3.543 1.00 0.00 O ATOM 0 H SER A 26 -2.149 3.579 -0.159 1.00 0.00 H new ATOM 0 HA SER A 26 -2.453 2.231 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.342 3.412 1.681 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.225 4.926 1.695 1.00 0.00 H new ATOM 0 HG SER A 26 -0.084 4.514 3.690 1.00 0.00 H new ATOM 72 N LYS A 27 -3.792 4.112 3.678 1.00 0.00 N ATOM 73 CA LYS A 27 -4.926 4.786 4.303 1.00 0.00 C ATOM 74 C LYS A 27 -4.964 6.256 3.893 1.00 0.00 C ATOM 75 O LYS A 27 -6.006 6.913 3.966 1.00 0.00 O ATOM 76 CB LYS A 27 -4.829 4.648 5.826 1.00 0.00 C ATOM 77 CG LYS A 27 -6.028 5.197 6.584 1.00 0.00 C ATOM 78 CD LYS A 27 -5.914 4.909 8.072 1.00 0.00 C ATOM 79 CE LYS A 27 -7.118 5.424 8.843 1.00 0.00 C ATOM 80 NZ LYS A 27 -7.072 5.025 10.275 1.00 0.00 N ATOM 0 H LYS A 27 -3.098 3.763 4.339 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.851 4.319 3.966 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.708 3.594 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.931 5.162 6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.102 6.273 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.943 4.753 6.194 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.816 3.835 8.227 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.008 5.372 8.463 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.158 6.511 8.770 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.031 5.040 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.911 5.396 10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.060 3.988 10.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.213 5.412 10.716 1.00 0.00 H new ATOM 94 N GLN A 28 -3.822 6.754 3.441 1.00 0.00 N ATOM 95 CA GLN A 28 -3.708 8.124 2.971 1.00 0.00 C ATOM 96 C GLN A 28 -4.483 8.309 1.671 1.00 0.00 C ATOM 97 O GLN A 28 -5.168 9.314 1.487 1.00 0.00 O ATOM 98 CB GLN A 28 -2.235 8.497 2.778 1.00 0.00 C ATOM 99 CG GLN A 28 -1.503 8.862 4.068 1.00 0.00 C ATOM 100 CD GLN A 28 -1.657 7.827 5.170 1.00 0.00 C ATOM 101 OE1 GLN A 28 -0.887 6.870 5.255 1.00 0.00 O ATOM 102 NE2 GLN A 28 -2.641 8.028 6.036 1.00 0.00 N ATOM 0 H GLN A 28 -2.953 6.222 3.390 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.138 8.787 3.722 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -1.720 7.660 2.306 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.173 9.339 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.443 8.993 3.850 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.875 9.821 4.428 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.257 8.834 5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.782 7.377 6.808 1.00 0.00 H new ATOM 111 N GLU A 29 -4.388 7.332 0.776 1.00 0.00 N ATOM 112 CA GLU A 29 -5.140 7.366 -0.469 1.00 0.00 C ATOM 113 C GLU A 29 -6.638 7.270 -0.190 1.00 0.00 C ATOM 114 O GLU A 29 -7.435 8.000 -0.782 1.00 0.00 O ATOM 115 CB GLU A 29 -4.707 6.241 -1.419 1.00 0.00 C ATOM 116 CG GLU A 29 -3.265 6.352 -1.905 1.00 0.00 C ATOM 117 CD GLU A 29 -2.271 5.664 -0.987 1.00 0.00 C ATOM 118 OE1 GLU A 29 -2.058 6.150 0.141 1.00 0.00 O ATOM 119 OE2 GLU A 29 -1.711 4.621 -1.393 1.00 0.00 O ATOM 0 H GLU A 29 -3.798 6.508 0.891 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.928 8.318 -0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.835 5.284 -0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.370 6.236 -2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.190 5.918 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.998 7.405 -1.995 1.00 0.00 H new ATOM 126 N ILE A 30 -7.013 6.381 0.728 1.00 0.00 N ATOM 127 CA ILE A 30 -8.416 6.216 1.111 1.00 0.00 C ATOM 128 C ILE A 30 -9.005 7.537 1.611 1.00 0.00 C ATOM 129 O ILE A 30 -10.083 7.951 1.178 1.00 0.00 O ATOM 130 CB ILE A 30 -8.602 5.121 2.201 1.00 0.00 C ATOM 131 CG1 ILE A 30 -8.578 3.716 1.585 1.00 0.00 C ATOM 132 CG2 ILE A 30 -9.904 5.321 2.970 1.00 0.00 C ATOM 133 CD1 ILE A 30 -7.227 3.282 1.070 1.00 0.00 C ATOM 0 H ILE A 30 -6.367 5.764 1.220 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.948 5.897 0.215 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.767 5.215 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.915 2.999 2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.294 3.680 0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.005 4.540 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.893 6.296 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.746 5.269 2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.302 2.278 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.894 3.973 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.508 3.281 1.890 1.00 0.00 H new ATOM 145 N SER A 31 -8.281 8.203 2.498 1.00 0.00 N ATOM 146 CA SER A 31 -8.762 9.439 3.100 1.00 0.00 C ATOM 147 C SER A 31 -8.707 10.605 2.114 1.00 0.00 C ATOM 148 O SER A 31 -9.576 11.476 2.123 1.00 0.00 O ATOM 149 CB SER A 31 -7.951 9.753 4.362 1.00 0.00 C ATOM 150 OG SER A 31 -6.561 9.577 4.136 1.00 0.00 O ATOM 0 H SER A 31 -7.358 7.909 2.817 1.00 0.00 H new ATOM 0 HA SER A 31 -9.808 9.300 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.144 10.779 4.676 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.275 9.105 5.176 1.00 0.00 H new ATOM 0 HG SER A 31 -6.345 8.621 4.155 1.00 0.00 H new ATOM 156 N HIS A 32 -7.695 10.609 1.253 1.00 0.00 N ATOM 157 CA HIS A 32 -7.515 11.687 0.286 1.00 0.00 C ATOM 158 C HIS A 32 -8.579 11.627 -0.809 1.00 0.00 C ATOM 159 O HIS A 32 -9.173 12.643 -1.164 1.00 0.00 O ATOM 160 CB HIS A 32 -6.115 11.612 -0.340 1.00 0.00 C ATOM 161 CG HIS A 32 -5.731 12.816 -1.152 1.00 0.00 C ATOM 162 ND1 HIS A 32 -4.692 13.656 -0.806 1.00 0.00 N ATOM 163 CD2 HIS A 32 -6.243 13.316 -2.304 1.00 0.00 C ATOM 164 CE1 HIS A 32 -4.584 14.615 -1.708 1.00 0.00 C ATOM 165 NE2 HIS A 32 -5.512 14.431 -2.626 1.00 0.00 N ATOM 0 H HIS A 32 -6.986 9.877 1.205 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.621 12.634 0.815 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.382 11.477 0.455 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.062 10.728 -0.976 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -4.100 13.552 0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -7.073 12.911 -2.864 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.858 15.415 -1.695 1.00 0.00 H new ATOM 174 N PHE A 33 -8.812 10.438 -1.346 1.00 0.00 N ATOM 175 CA PHE A 33 -9.728 10.284 -2.470 1.00 0.00 C ATOM 176 C PHE A 33 -11.147 9.985 -2.002 1.00 0.00 C ATOM 177 O PHE A 33 -12.072 9.954 -2.814 1.00 0.00 O ATOM 178 CB PHE A 33 -9.240 9.181 -3.413 1.00 0.00 C ATOM 179 CG PHE A 33 -7.911 9.482 -4.051 1.00 0.00 C ATOM 180 CD1 PHE A 33 -7.793 10.487 -4.996 1.00 0.00 C ATOM 181 CD2 PHE A 33 -6.781 8.759 -3.703 1.00 0.00 C ATOM 182 CE1 PHE A 33 -6.574 10.767 -5.582 1.00 0.00 C ATOM 183 CE2 PHE A 33 -5.559 9.034 -4.285 1.00 0.00 C ATOM 184 CZ PHE A 33 -5.454 10.039 -5.225 1.00 0.00 C ATOM 0 H PHE A 33 -8.383 9.570 -1.025 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.746 11.231 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.164 8.246 -2.858 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -9.983 9.027 -4.195 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -8.665 11.059 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.857 7.971 -2.968 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.496 11.553 -6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.686 8.463 -4.005 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.499 10.256 -5.681 1.00 0.00 H new ATOM 194 N LYS A 34 -11.309 9.777 -0.695 1.00 0.00 N ATOM 195 CA LYS A 34 -12.614 9.472 -0.106 1.00 0.00 C ATOM 196 C LYS A 34 -13.191 8.207 -0.729 1.00 0.00 C ATOM 197 O LYS A 34 -14.296 8.214 -1.279 1.00 0.00 O ATOM 198 CB LYS A 34 -13.586 10.642 -0.288 1.00 0.00 C ATOM 199 CG LYS A 34 -13.140 11.926 0.391 1.00 0.00 C ATOM 200 CD LYS A 34 -13.116 11.782 1.904 1.00 0.00 C ATOM 201 CE LYS A 34 -12.721 13.085 2.579 1.00 0.00 C ATOM 202 NZ LYS A 34 -13.649 14.195 2.233 1.00 0.00 N ATOM 0 H LYS A 34 -10.546 9.815 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.474 9.309 0.963 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -13.714 10.832 -1.354 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.562 10.355 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.147 12.200 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.813 12.737 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.099 11.471 2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.414 10.997 2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.710 12.945 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.707 13.354 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.531 14.972 2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.436 14.540 1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.630 13.851 2.267 1.00 0.00 H new ATOM 216 N LEU A 35 -12.426 7.129 -0.643 1.00 0.00 N ATOM 217 CA LEU A 35 -12.806 5.868 -1.259 1.00 0.00 C ATOM 218 C LEU A 35 -14.020 5.254 -0.570 1.00 0.00 C ATOM 219 O LEU A 35 -14.217 5.403 0.639 1.00 0.00 O ATOM 220 CB LEU A 35 -11.633 4.884 -1.242 1.00 0.00 C ATOM 221 CG LEU A 35 -10.431 5.295 -2.095 1.00 0.00 C ATOM 222 CD1 LEU A 35 -9.338 4.241 -2.019 1.00 0.00 C ATOM 223 CD2 LEU A 35 -10.853 5.518 -3.540 1.00 0.00 C ATOM 0 H LEU A 35 -11.534 7.103 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.076 6.076 -2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.301 4.755 -0.212 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.988 3.913 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.036 6.232 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -8.491 4.550 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.015 4.126 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -9.724 3.290 -2.386 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.985 5.810 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.274 4.596 -3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.603 6.308 -3.582 1.00 0.00 H new ATOM 235 N VAL A 36 -14.829 4.569 -1.359 1.00 0.00 N ATOM 236 CA VAL A 36 -16.041 3.940 -0.874 1.00 0.00 C ATOM 237 C VAL A 36 -15.728 2.571 -0.291 1.00 0.00 C ATOM 238 O VAL A 36 -15.255 1.675 -0.995 1.00 0.00 O ATOM 239 CB VAL A 36 -17.080 3.813 -2.010 1.00 0.00 C ATOM 240 CG1 VAL A 36 -18.297 3.015 -1.577 1.00 0.00 C ATOM 241 CG2 VAL A 36 -17.504 5.189 -2.485 1.00 0.00 C ATOM 0 H VAL A 36 -14.662 4.434 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.464 4.567 -0.089 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.606 3.274 -2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.003 2.950 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -17.989 2.012 -1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.775 3.510 -0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -18.236 5.088 -3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.947 5.740 -1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.634 5.730 -2.856 1.00 0.00 H new ATOM 251 N LYS A 37 -15.972 2.430 1.002 1.00 0.00 N ATOM 252 CA LYS A 37 -15.713 1.187 1.705 1.00 0.00 C ATOM 253 C LYS A 37 -16.758 0.142 1.326 1.00 0.00 C ATOM 254 O LYS A 37 -17.933 0.265 1.678 1.00 0.00 O ATOM 255 CB LYS A 37 -15.709 1.453 3.215 1.00 0.00 C ATOM 256 CG LYS A 37 -15.310 0.266 4.074 1.00 0.00 C ATOM 257 CD LYS A 37 -16.519 -0.369 4.740 1.00 0.00 C ATOM 258 CE LYS A 37 -16.111 -1.283 5.884 1.00 0.00 C ATOM 259 NZ LYS A 37 -15.289 -0.566 6.900 1.00 0.00 N ATOM 0 H LYS A 37 -16.353 3.171 1.590 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.737 0.796 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -15.027 2.278 3.422 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.705 1.780 3.514 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.801 -0.475 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.601 0.589 4.836 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.180 0.412 5.115 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -17.084 -0.938 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.003 -1.690 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.546 -2.128 5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.130 -1.187 7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.373 -0.303 6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.789 0.292 7.208 1.00 0.00 H new ATOM 273 N VAL A 38 -16.323 -0.869 0.588 1.00 0.00 N ATOM 274 CA VAL A 38 -17.220 -1.909 0.106 1.00 0.00 C ATOM 275 C VAL A 38 -17.399 -2.998 1.160 1.00 0.00 C ATOM 276 O VAL A 38 -18.522 -3.370 1.504 1.00 0.00 O ATOM 277 CB VAL A 38 -16.691 -2.546 -1.200 1.00 0.00 C ATOM 278 CG1 VAL A 38 -17.666 -3.587 -1.733 1.00 0.00 C ATOM 279 CG2 VAL A 38 -16.424 -1.474 -2.248 1.00 0.00 C ATOM 0 H VAL A 38 -15.350 -0.991 0.309 1.00 0.00 H new ATOM 0 HA VAL A 38 -18.182 -1.439 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.751 -3.049 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.270 -4.020 -2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -17.801 -4.373 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -18.626 -3.114 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.052 -1.941 -3.160 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -17.349 -0.939 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.680 -0.773 -1.870 1.00 0.00 H new ATOM 289 N GLY A 39 -16.284 -3.492 1.677 1.00 0.00 N ATOM 290 CA GLY A 39 -16.322 -4.549 2.665 1.00 0.00 C ATOM 291 C GLY A 39 -14.937 -4.900 3.155 1.00 0.00 C ATOM 292 O GLY A 39 -13.957 -4.302 2.716 1.00 0.00 O ATOM 0 H GLY A 39 -15.347 -3.176 1.427 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -16.939 -4.238 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.792 -5.434 2.235 1.00 0.00 H new ATOM 296 N THR A 40 -14.847 -5.871 4.046 1.00 0.00 N ATOM 297 CA THR A 40 -13.570 -6.258 4.623 1.00 0.00 C ATOM 298 C THR A 40 -13.276 -7.729 4.334 1.00 0.00 C ATOM 299 O THR A 40 -14.059 -8.608 4.698 1.00 0.00 O ATOM 300 CB THR A 40 -13.568 -6.029 6.148 1.00 0.00 C ATOM 301 OG1 THR A 40 -14.216 -4.785 6.459 1.00 0.00 O ATOM 302 CG2 THR A 40 -12.147 -6.013 6.693 1.00 0.00 C ATOM 0 H THR A 40 -15.644 -6.408 4.387 1.00 0.00 H new ATOM 0 HA THR A 40 -12.797 -5.639 4.168 1.00 0.00 H new ATOM 0 HB THR A 40 -14.111 -6.850 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 40 -13.539 -4.099 6.636 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.172 -5.850 7.770 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.666 -6.968 6.482 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.584 -5.210 6.218 1.00 0.00 H new ATOM 310 N ILE A 41 -12.154 -7.996 3.678 1.00 0.00 N ATOM 311 CA ILE A 41 -11.769 -9.362 3.358 1.00 0.00 C ATOM 312 C ILE A 41 -10.659 -9.834 4.287 1.00 0.00 C ATOM 313 O ILE A 41 -9.728 -9.092 4.596 1.00 0.00 O ATOM 314 CB ILE A 41 -11.313 -9.514 1.888 1.00 0.00 C ATOM 315 CG1 ILE A 41 -10.186 -8.528 1.563 1.00 0.00 C ATOM 316 CG2 ILE A 41 -12.493 -9.319 0.946 1.00 0.00 C ATOM 317 CD1 ILE A 41 -9.618 -8.687 0.170 1.00 0.00 C ATOM 0 H ILE A 41 -11.496 -7.285 3.358 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.655 -9.981 3.498 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.925 -10.523 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.561 -7.511 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.383 -8.656 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.157 -9.429 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.257 -10.066 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -12.911 -8.322 1.087 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.826 -7.955 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.211 -9.692 0.055 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.407 -8.529 -0.565 1.00 0.00 H new ATOM 329 N ASN A 42 -10.780 -11.058 4.763 1.00 0.00 N ATOM 330 CA ASN A 42 -9.787 -11.624 5.667 1.00 0.00 C ATOM 331 C ASN A 42 -9.152 -12.853 5.044 1.00 0.00 C ATOM 332 O ASN A 42 -9.840 -13.821 4.720 1.00 0.00 O ATOM 333 CB ASN A 42 -10.419 -11.995 7.016 1.00 0.00 C ATOM 334 CG ASN A 42 -10.632 -10.808 7.948 1.00 0.00 C ATOM 335 OD1 ASN A 42 -10.619 -10.959 9.169 1.00 0.00 O ATOM 336 ND2 ASN A 42 -10.823 -9.621 7.393 1.00 0.00 N ATOM 0 H ASN A 42 -11.555 -11.683 4.541 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.020 -10.869 5.840 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.379 -12.479 6.835 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.783 -12.726 7.515 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.965 -8.800 7.981 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.828 -9.528 6.377 1.00 0.00 H new ATOM 343 N VAL A 43 -7.842 -12.812 4.863 1.00 0.00 N ATOM 344 CA VAL A 43 -7.118 -13.960 4.346 1.00 0.00 C ATOM 345 C VAL A 43 -6.427 -14.680 5.491 1.00 0.00 C ATOM 346 O VAL A 43 -5.383 -14.249 5.974 1.00 0.00 O ATOM 347 CB VAL A 43 -6.065 -13.558 3.287 1.00 0.00 C ATOM 348 CG1 VAL A 43 -5.327 -14.782 2.765 1.00 0.00 C ATOM 349 CG2 VAL A 43 -6.716 -12.804 2.140 1.00 0.00 C ATOM 0 H VAL A 43 -7.261 -11.999 5.066 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.843 -14.615 3.863 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.341 -12.899 3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.592 -14.474 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.821 -15.281 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.039 -15.469 2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.957 -12.531 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.466 -13.438 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.193 -11.901 2.522 1.00 0.00 H new ATOM 359 N SER A 44 -7.029 -15.766 5.929 1.00 0.00 N ATOM 360 CA SER A 44 -6.486 -16.548 7.021 1.00 0.00 C ATOM 361 C SER A 44 -6.206 -17.969 6.560 1.00 0.00 C ATOM 362 O SER A 44 -7.121 -18.781 6.398 1.00 0.00 O ATOM 363 CB SER A 44 -7.449 -16.526 8.209 1.00 0.00 C ATOM 364 OG SER A 44 -8.802 -16.549 7.775 1.00 0.00 O ATOM 0 H SER A 44 -7.900 -16.129 5.543 1.00 0.00 H new ATOM 0 HA SER A 44 -5.542 -16.110 7.344 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.256 -17.384 8.853 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.272 -15.633 8.808 1.00 0.00 H new ATOM 0 HG SER A 44 -9.396 -16.536 8.554 1.00 0.00 H new ATOM 370 N GLN A 45 -4.940 -18.258 6.324 1.00 0.00 N ATOM 371 CA GLN A 45 -4.544 -19.556 5.815 1.00 0.00 C ATOM 372 C GLN A 45 -3.943 -20.401 6.927 1.00 0.00 C ATOM 373 O GLN A 45 -3.452 -19.871 7.922 1.00 0.00 O ATOM 374 CB GLN A 45 -3.554 -19.398 4.659 1.00 0.00 C ATOM 375 CG GLN A 45 -4.121 -18.613 3.483 1.00 0.00 C ATOM 376 CD GLN A 45 -5.427 -19.191 2.961 1.00 0.00 C ATOM 377 OE1 GLN A 45 -5.676 -20.391 3.060 1.00 0.00 O ATOM 378 NE2 GLN A 45 -6.274 -18.338 2.408 1.00 0.00 N ATOM 0 H GLN A 45 -4.168 -17.610 6.477 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.430 -20.067 5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.658 -18.896 5.023 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.248 -20.386 4.314 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.283 -17.579 3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.388 -18.597 2.676 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.033 -17.349 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.168 -18.669 2.046 1.00 0.00 H new ATOM 387 N SER A 46 -3.976 -21.713 6.744 1.00 0.00 N ATOM 388 CA SER A 46 -3.545 -22.642 7.778 1.00 0.00 C ATOM 389 C SER A 46 -2.026 -22.690 7.878 1.00 0.00 C ATOM 390 O SER A 46 -1.469 -23.139 8.880 1.00 0.00 O ATOM 391 CB SER A 46 -4.108 -24.033 7.491 1.00 0.00 C ATOM 392 OG SER A 46 -5.525 -23.998 7.424 1.00 0.00 O ATOM 0 H SER A 46 -4.298 -22.159 5.885 1.00 0.00 H new ATOM 0 HA SER A 46 -3.928 -22.292 8.737 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.704 -24.407 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.793 -24.726 8.271 1.00 0.00 H new ATOM 0 HG SER A 46 -5.866 -24.898 7.238 1.00 0.00 H new ATOM 398 N GLY A 47 -1.361 -22.214 6.842 1.00 0.00 N ATOM 399 CA GLY A 47 0.079 -22.180 6.843 1.00 0.00 C ATOM 400 C GLY A 47 0.607 -20.955 6.140 1.00 0.00 C ATOM 401 O GLY A 47 -0.144 -20.012 5.875 1.00 0.00 O ATOM 0 H GLY A 47 -1.797 -21.849 5.996 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.443 -22.196 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.465 -23.075 6.355 1.00 0.00 H new ATOM 405 N GLY A 48 1.889 -20.970 5.818 1.00 0.00 N ATOM 406 CA GLY A 48 2.499 -19.848 5.142 1.00 0.00 C ATOM 407 C GLY A 48 2.214 -19.860 3.656 1.00 0.00 C ATOM 408 O GLY A 48 3.113 -20.074 2.847 1.00 0.00 O ATOM 0 H GLY A 48 2.522 -21.745 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.129 -18.919 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.577 -19.868 5.305 1.00 0.00 H new ATOM 412 N GLN A 49 0.955 -19.647 3.295 1.00 0.00 N ATOM 413 CA GLN A 49 0.562 -19.606 1.892 1.00 0.00 C ATOM 414 C GLN A 49 0.808 -18.218 1.311 1.00 0.00 C ATOM 415 O GLN A 49 0.539 -17.962 0.138 1.00 0.00 O ATOM 416 CB GLN A 49 -0.902 -20.018 1.722 1.00 0.00 C ATOM 417 CG GLN A 49 -1.172 -21.452 2.150 1.00 0.00 C ATOM 418 CD GLN A 49 -2.503 -21.979 1.648 1.00 0.00 C ATOM 419 OE1 GLN A 49 -3.451 -21.225 1.448 1.00 0.00 O ATOM 420 NE2 GLN A 49 -2.578 -23.283 1.445 1.00 0.00 N ATOM 0 H GLN A 49 0.190 -19.500 3.953 1.00 0.00 H new ATOM 0 HA GLN A 49 1.175 -20.321 1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.532 -19.346 2.305 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.188 -19.897 0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.371 -22.093 1.781 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.151 -21.511 3.238 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.766 -23.874 1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.447 -23.698 1.110 1.00 0.00 H new ATOM 429 N ILE A 50 1.308 -17.324 2.152 1.00 0.00 N ATOM 430 CA ILE A 50 1.749 -16.009 1.715 1.00 0.00 C ATOM 431 C ILE A 50 3.239 -15.873 2.009 1.00 0.00 C ATOM 432 O ILE A 50 3.640 -15.574 3.136 1.00 0.00 O ATOM 433 CB ILE A 50 0.972 -14.852 2.400 1.00 0.00 C ATOM 434 CG1 ILE A 50 -0.521 -14.881 2.038 1.00 0.00 C ATOM 435 CG2 ILE A 50 1.570 -13.503 2.019 1.00 0.00 C ATOM 436 CD1 ILE A 50 -1.329 -15.905 2.806 1.00 0.00 C ATOM 0 H ILE A 50 1.419 -17.490 3.152 1.00 0.00 H new ATOM 0 HA ILE A 50 1.550 -15.929 0.646 1.00 0.00 H new ATOM 0 HB ILE A 50 1.064 -14.993 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.945 -13.893 2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.620 -15.083 0.971 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.011 -12.706 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.612 -13.464 2.337 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.515 -13.373 0.938 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.371 -15.858 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.934 -16.902 2.609 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.264 -15.693 3.873 1.00 0.00 H new ATOM 448 N SER A 51 4.056 -16.150 1.008 1.00 0.00 N ATOM 449 CA SER A 51 5.499 -16.115 1.178 1.00 0.00 C ATOM 450 C SER A 51 6.075 -14.780 0.720 1.00 0.00 C ATOM 451 O SER A 51 7.105 -14.331 1.227 1.00 0.00 O ATOM 452 CB SER A 51 6.134 -17.264 0.399 1.00 0.00 C ATOM 453 OG SER A 51 5.520 -18.498 0.735 1.00 0.00 O ATOM 0 H SER A 51 3.746 -16.402 0.069 1.00 0.00 H new ATOM 0 HA SER A 51 5.726 -16.228 2.238 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.035 -17.083 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.201 -17.312 0.617 1.00 0.00 H new ATOM 0 HG SER A 51 5.939 -19.222 0.224 1.00 0.00 H new ATOM 459 N SER A 52 5.402 -14.140 -0.226 1.00 0.00 N ATOM 460 CA SER A 52 5.874 -12.880 -0.772 1.00 0.00 C ATOM 461 C SER A 52 4.709 -11.906 -0.931 1.00 0.00 C ATOM 462 O SER A 52 3.546 -12.311 -0.845 1.00 0.00 O ATOM 463 CB SER A 52 6.549 -13.127 -2.126 1.00 0.00 C ATOM 464 OG SER A 52 5.623 -13.630 -3.075 1.00 0.00 O ATOM 0 H SER A 52 4.527 -14.475 -0.630 1.00 0.00 H new ATOM 0 HA SER A 52 6.600 -12.442 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.983 -12.197 -2.494 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.369 -13.835 -2.003 1.00 0.00 H new ATOM 0 HG SER A 52 4.906 -14.110 -2.610 1.00 0.00 H new ATOM 470 N PRO A 53 4.995 -10.609 -1.156 1.00 0.00 N ATOM 471 CA PRO A 53 3.959 -9.611 -1.442 1.00 0.00 C ATOM 472 C PRO A 53 3.125 -9.988 -2.667 1.00 0.00 C ATOM 473 O PRO A 53 1.973 -9.575 -2.794 1.00 0.00 O ATOM 474 CB PRO A 53 4.752 -8.326 -1.704 1.00 0.00 C ATOM 475 CG PRO A 53 6.051 -8.535 -1.007 1.00 0.00 C ATOM 476 CD PRO A 53 6.341 -10.004 -1.115 1.00 0.00 C ATOM 0 HA PRO A 53 3.245 -9.518 -0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.897 -8.161 -2.772 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.230 -7.452 -1.315 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.842 -7.945 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.990 -8.224 0.036 1.00 0.00 H new ATOM 0 HD2 PRO A 53 6.915 -10.237 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.919 -10.364 -0.264 1.00 0.00 H new ATOM 484 N SER A 54 3.711 -10.784 -3.559 1.00 0.00 N ATOM 485 CA SER A 54 2.995 -11.288 -4.723 1.00 0.00 C ATOM 486 C SER A 54 1.860 -12.209 -4.286 1.00 0.00 C ATOM 487 O SER A 54 0.728 -12.070 -4.745 1.00 0.00 O ATOM 488 CB SER A 54 3.952 -12.031 -5.658 1.00 0.00 C ATOM 489 OG SER A 54 4.994 -11.179 -6.108 1.00 0.00 O ATOM 0 H SER A 54 4.681 -11.093 -3.495 1.00 0.00 H new ATOM 0 HA SER A 54 2.570 -10.442 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.379 -12.889 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.400 -12.419 -6.514 1.00 0.00 H new ATOM 0 HG SER A 54 5.592 -11.679 -6.702 1.00 0.00 H new ATOM 495 N ASP A 55 2.169 -13.134 -3.377 1.00 0.00 N ATOM 496 CA ASP A 55 1.162 -14.033 -2.811 1.00 0.00 C ATOM 497 C ASP A 55 0.100 -13.228 -2.087 1.00 0.00 C ATOM 498 O ASP A 55 -1.098 -13.496 -2.201 1.00 0.00 O ATOM 499 CB ASP A 55 1.796 -15.012 -1.820 1.00 0.00 C ATOM 500 CG ASP A 55 2.769 -15.971 -2.464 1.00 0.00 C ATOM 501 OD1 ASP A 55 3.965 -15.626 -2.576 1.00 0.00 O ATOM 502 OD2 ASP A 55 2.351 -17.085 -2.833 1.00 0.00 O ATOM 0 H ASP A 55 3.112 -13.281 -3.016 1.00 0.00 H new ATOM 0 HA ASP A 55 0.715 -14.595 -3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.313 -14.448 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.007 -15.582 -1.328 1.00 0.00 H new ATOM 507 N LEU A 56 0.565 -12.237 -1.342 1.00 0.00 N ATOM 508 CA LEU A 56 -0.308 -11.357 -0.586 1.00 0.00 C ATOM 509 C LEU A 56 -1.279 -10.637 -1.518 1.00 0.00 C ATOM 510 O LEU A 56 -2.491 -10.657 -1.300 1.00 0.00 O ATOM 511 CB LEU A 56 0.541 -10.349 0.191 1.00 0.00 C ATOM 512 CG LEU A 56 -0.219 -9.454 1.168 1.00 0.00 C ATOM 513 CD1 LEU A 56 -0.933 -10.290 2.219 1.00 0.00 C ATOM 514 CD2 LEU A 56 0.737 -8.471 1.827 1.00 0.00 C ATOM 0 H LEU A 56 1.557 -12.022 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.895 -11.948 0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.303 -10.896 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.062 -9.713 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.971 -8.893 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.468 -9.633 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.641 -10.960 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.202 -10.877 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.186 -7.837 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.507 -9.020 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.205 -7.850 1.063 1.00 0.00 H new ATOM 526 N ARG A 57 -0.745 -10.023 -2.570 1.00 0.00 N ATOM 527 CA ARG A 57 -1.574 -9.320 -3.540 1.00 0.00 C ATOM 528 C ARG A 57 -2.495 -10.278 -4.281 1.00 0.00 C ATOM 529 O ARG A 57 -3.653 -9.952 -4.526 1.00 0.00 O ATOM 530 CB ARG A 57 -0.723 -8.538 -4.544 1.00 0.00 C ATOM 531 CG ARG A 57 -0.166 -7.238 -3.988 1.00 0.00 C ATOM 532 CD ARG A 57 0.254 -6.292 -5.103 1.00 0.00 C ATOM 533 NE ARG A 57 1.471 -6.725 -5.788 1.00 0.00 N ATOM 534 CZ ARG A 57 1.514 -7.177 -7.039 1.00 0.00 C ATOM 535 NH1 ARG A 57 0.396 -7.374 -7.728 1.00 0.00 N ATOM 536 NH2 ARG A 57 2.686 -7.438 -7.594 1.00 0.00 N ATOM 0 H ARG A 57 0.255 -9.999 -2.771 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.185 -8.613 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.104 -9.167 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.326 -8.318 -5.425 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.918 -6.756 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.690 -7.451 -3.348 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.556 -6.211 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.411 -5.296 -4.688 1.00 0.00 H new ATOM 0 HE ARG A 57 2.349 -6.677 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.509 -7.179 -7.299 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.442 -7.721 -8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.545 -7.292 -7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.731 -7.785 -8.552 1.00 0.00 H new ATOM 550 N GLU A 58 -1.983 -11.457 -4.621 1.00 0.00 N ATOM 551 CA GLU A 58 -2.754 -12.451 -5.365 1.00 0.00 C ATOM 552 C GLU A 58 -4.063 -12.775 -4.647 1.00 0.00 C ATOM 553 O GLU A 58 -5.140 -12.702 -5.238 1.00 0.00 O ATOM 554 CB GLU A 58 -1.927 -13.727 -5.549 1.00 0.00 C ATOM 555 CG GLU A 58 -2.539 -14.721 -6.522 1.00 0.00 C ATOM 556 CD GLU A 58 -2.661 -14.157 -7.923 1.00 0.00 C ATOM 557 OE1 GLU A 58 -1.622 -14.010 -8.599 1.00 0.00 O ATOM 558 OE2 GLU A 58 -3.795 -13.842 -8.349 1.00 0.00 O ATOM 0 H GLU A 58 -1.033 -11.749 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.994 -12.035 -6.344 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.931 -13.456 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.803 -14.211 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.928 -15.623 -6.548 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.526 -15.015 -6.164 1.00 0.00 H new ATOM 565 N LYS A 59 -3.961 -13.110 -3.366 1.00 0.00 N ATOM 566 CA LYS A 59 -5.133 -13.438 -2.563 1.00 0.00 C ATOM 567 C LYS A 59 -6.050 -12.234 -2.403 1.00 0.00 C ATOM 568 O LYS A 59 -7.250 -12.315 -2.664 1.00 0.00 O ATOM 569 CB LYS A 59 -4.714 -13.947 -1.181 1.00 0.00 C ATOM 570 CG LYS A 59 -4.710 -15.461 -1.055 1.00 0.00 C ATOM 571 CD LYS A 59 -3.763 -16.111 -2.046 1.00 0.00 C ATOM 572 CE LYS A 59 -3.845 -17.622 -1.964 1.00 0.00 C ATOM 573 NZ LYS A 59 -2.937 -18.282 -2.937 1.00 0.00 N ATOM 0 H LYS A 59 -3.077 -13.162 -2.860 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.678 -14.223 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.716 -13.571 -0.954 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.389 -13.532 -0.432 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.422 -15.740 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.719 -15.841 -1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.008 -15.784 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.742 -15.787 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.591 -17.945 -0.954 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.871 -17.940 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.024 -19.315 -2.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.195 -17.995 -3.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.955 -17.999 -2.743 1.00 0.00 H new ATOM 587 N LEU A 60 -5.475 -11.116 -1.985 1.00 0.00 N ATOM 588 CA LEU A 60 -6.254 -9.924 -1.681 1.00 0.00 C ATOM 589 C LEU A 60 -6.978 -9.387 -2.913 1.00 0.00 C ATOM 590 O LEU A 60 -8.143 -9.011 -2.832 1.00 0.00 O ATOM 591 CB LEU A 60 -5.354 -8.846 -1.078 1.00 0.00 C ATOM 592 CG LEU A 60 -4.720 -9.217 0.264 1.00 0.00 C ATOM 593 CD1 LEU A 60 -3.786 -8.117 0.736 1.00 0.00 C ATOM 594 CD2 LEU A 60 -5.794 -9.485 1.307 1.00 0.00 C ATOM 0 H LEU A 60 -4.470 -11.009 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.015 -10.204 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.560 -8.617 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.938 -7.935 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.138 -10.128 0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.345 -8.399 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.995 -7.971 0.000 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.347 -7.190 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.324 -9.747 2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.404 -8.591 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.426 -10.309 0.975 1.00 0.00 H new ATOM 606 N SER A 61 -6.298 -9.367 -4.053 1.00 0.00 N ATOM 607 CA SER A 61 -6.900 -8.868 -5.285 1.00 0.00 C ATOM 608 C SER A 61 -8.066 -9.753 -5.710 1.00 0.00 C ATOM 609 O SER A 61 -9.132 -9.258 -6.077 1.00 0.00 O ATOM 610 CB SER A 61 -5.857 -8.790 -6.404 1.00 0.00 C ATOM 611 OG SER A 61 -5.239 -10.047 -6.620 1.00 0.00 O ATOM 0 H SER A 61 -5.335 -9.688 -4.151 1.00 0.00 H new ATOM 0 HA SER A 61 -7.279 -7.864 -5.095 1.00 0.00 H new ATOM 0 HB2 SER A 61 -6.333 -8.453 -7.325 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.100 -8.049 -6.147 1.00 0.00 H new ATOM 0 HG SER A 61 -4.455 -10.131 -6.038 1.00 0.00 H new ATOM 617 N GLU A 62 -7.854 -11.063 -5.629 1.00 0.00 N ATOM 618 CA GLU A 62 -8.862 -12.040 -6.016 1.00 0.00 C ATOM 619 C GLU A 62 -10.142 -11.846 -5.206 1.00 0.00 C ATOM 620 O GLU A 62 -11.242 -11.793 -5.760 1.00 0.00 O ATOM 621 CB GLU A 62 -8.315 -13.455 -5.798 1.00 0.00 C ATOM 622 CG GLU A 62 -9.190 -14.554 -6.378 1.00 0.00 C ATOM 623 CD GLU A 62 -9.258 -14.506 -7.890 1.00 0.00 C ATOM 624 OE1 GLU A 62 -8.283 -14.930 -8.548 1.00 0.00 O ATOM 625 OE2 GLU A 62 -10.286 -14.054 -8.429 1.00 0.00 O ATOM 0 H GLU A 62 -6.982 -11.474 -5.295 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.099 -11.899 -7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.323 -13.522 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.196 -13.626 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.803 -15.524 -6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.197 -14.466 -5.970 1.00 0.00 H new ATOM 632 N LEU A 63 -9.988 -11.713 -3.895 1.00 0.00 N ATOM 633 CA LEU A 63 -11.134 -11.586 -3.005 1.00 0.00 C ATOM 634 C LEU A 63 -11.774 -10.201 -3.132 1.00 0.00 C ATOM 635 O LEU A 63 -12.999 -10.071 -3.106 1.00 0.00 O ATOM 636 CB LEU A 63 -10.718 -11.838 -1.551 1.00 0.00 C ATOM 637 CG LEU A 63 -9.858 -13.086 -1.308 1.00 0.00 C ATOM 638 CD1 LEU A 63 -9.630 -13.290 0.181 1.00 0.00 C ATOM 639 CD2 LEU A 63 -10.489 -14.329 -1.921 1.00 0.00 C ATOM 0 H LEU A 63 -9.083 -11.690 -3.425 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.869 -12.336 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.169 -10.967 -1.194 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.620 -11.918 -0.944 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.897 -12.926 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.019 -14.179 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -9.118 -12.420 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.590 -13.417 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.852 -15.193 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.470 -14.496 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.597 -14.190 -2.997 1.00 0.00 H new ATOM 651 N ALA A 64 -10.944 -9.173 -3.282 1.00 0.00 N ATOM 652 CA ALA A 64 -11.434 -7.800 -3.402 1.00 0.00 C ATOM 653 C ALA A 64 -12.261 -7.618 -4.668 1.00 0.00 C ATOM 654 O ALA A 64 -13.302 -6.953 -4.657 1.00 0.00 O ATOM 655 CB ALA A 64 -10.273 -6.816 -3.389 1.00 0.00 C ATOM 0 H ALA A 64 -9.929 -9.263 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.076 -7.600 -2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.656 -5.800 -3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.723 -6.915 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.607 -7.028 -4.225 1.00 0.00 H new ATOM 661 N ASP A 65 -11.803 -8.218 -5.757 1.00 0.00 N ATOM 662 CA ASP A 65 -12.504 -8.123 -7.031 1.00 0.00 C ATOM 663 C ASP A 65 -13.792 -8.938 -6.992 1.00 0.00 C ATOM 664 O ASP A 65 -14.785 -8.586 -7.632 1.00 0.00 O ATOM 665 CB ASP A 65 -11.612 -8.605 -8.176 1.00 0.00 C ATOM 666 CG ASP A 65 -12.246 -8.383 -9.533 1.00 0.00 C ATOM 667 OD1 ASP A 65 -12.184 -7.242 -10.041 1.00 0.00 O ATOM 668 OD2 ASP A 65 -12.814 -9.340 -10.097 1.00 0.00 O ATOM 0 H ASP A 65 -10.949 -8.776 -5.785 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.755 -7.077 -7.204 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.657 -8.082 -8.134 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.400 -9.666 -8.046 1.00 0.00 H new ATOM 673 N ALA A 66 -13.769 -10.022 -6.220 1.00 0.00 N ATOM 674 CA ALA A 66 -14.942 -10.872 -6.048 1.00 0.00 C ATOM 675 C ALA A 66 -16.034 -10.141 -5.273 1.00 0.00 C ATOM 676 O ALA A 66 -17.220 -10.451 -5.402 1.00 0.00 O ATOM 677 CB ALA A 66 -14.563 -12.164 -5.339 1.00 0.00 C ATOM 0 H ALA A 66 -12.947 -10.332 -5.702 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.331 -11.118 -7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.450 -12.787 -5.219 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.821 -12.700 -5.931 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.147 -11.932 -4.359 1.00 0.00 H new ATOM 683 N LYS A 67 -15.625 -9.178 -4.456 1.00 0.00 N ATOM 684 CA LYS A 67 -16.570 -8.341 -3.735 1.00 0.00 C ATOM 685 C LYS A 67 -17.060 -7.205 -4.626 1.00 0.00 C ATOM 686 O LYS A 67 -18.265 -7.001 -4.782 1.00 0.00 O ATOM 687 CB LYS A 67 -15.937 -7.776 -2.459 1.00 0.00 C ATOM 688 CG LYS A 67 -15.632 -8.832 -1.409 1.00 0.00 C ATOM 689 CD LYS A 67 -16.895 -9.563 -0.981 1.00 0.00 C ATOM 690 CE LYS A 67 -16.604 -10.615 0.078 1.00 0.00 C ATOM 691 NZ LYS A 67 -17.822 -11.388 0.436 1.00 0.00 N ATOM 0 H LYS A 67 -14.645 -8.959 -4.278 1.00 0.00 H new ATOM 0 HA LYS A 67 -17.422 -8.959 -3.451 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.014 -7.259 -2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -16.608 -7.032 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.912 -9.547 -1.807 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.169 -8.363 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.617 -8.845 -0.592 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.353 -10.037 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.835 -11.296 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.204 -10.132 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.584 -12.095 1.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.547 -10.741 0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.189 -11.869 -0.410 1.00 0.00 H new ATOM 705 N GLY A 68 -16.121 -6.475 -5.213 1.00 0.00 N ATOM 706 CA GLY A 68 -16.479 -5.387 -6.104 1.00 0.00 C ATOM 707 C GLY A 68 -15.708 -4.118 -5.808 1.00 0.00 C ATOM 708 O GLY A 68 -16.295 -3.044 -5.654 1.00 0.00 O ATOM 0 H GLY A 68 -15.118 -6.616 -5.089 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.293 -5.689 -7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.547 -5.188 -6.018 1.00 0.00 H new ATOM 712 N GLY A 69 -14.393 -4.237 -5.728 1.00 0.00 N ATOM 713 CA GLY A 69 -13.566 -3.083 -5.453 1.00 0.00 C ATOM 714 C GLY A 69 -12.394 -2.983 -6.404 1.00 0.00 C ATOM 715 O GLY A 69 -11.958 -3.987 -6.971 1.00 0.00 O ATOM 0 H GLY A 69 -13.883 -5.112 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.170 -2.179 -5.527 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.197 -3.138 -4.429 1.00 0.00 H new ATOM 719 N LYS A 70 -11.899 -1.769 -6.592 1.00 0.00 N ATOM 720 CA LYS A 70 -10.733 -1.539 -7.436 1.00 0.00 C ATOM 721 C LYS A 70 -9.481 -1.445 -6.576 1.00 0.00 C ATOM 722 O LYS A 70 -8.381 -1.800 -7.008 1.00 0.00 O ATOM 723 CB LYS A 70 -10.895 -0.247 -8.241 1.00 0.00 C ATOM 724 CG LYS A 70 -12.053 -0.261 -9.225 1.00 0.00 C ATOM 725 CD LYS A 70 -12.188 1.082 -9.923 1.00 0.00 C ATOM 726 CE LYS A 70 -13.291 1.069 -10.967 1.00 0.00 C ATOM 727 NZ LYS A 70 -13.412 2.379 -11.661 1.00 0.00 N ATOM 0 H LYS A 70 -12.287 -0.925 -6.171 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.640 -2.376 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.033 0.583 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.972 -0.056 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.897 -1.046 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.979 -0.497 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.396 1.856 -9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.242 1.341 -10.398 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.089 0.287 -11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.239 0.822 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -14.175 2.329 -12.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.630 3.121 -10.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.515 2.604 -12.137 1.00 0.00 H new ATOM 741 N TYR A 71 -9.669 -0.976 -5.353 1.00 0.00 N ATOM 742 CA TYR A 71 -8.570 -0.765 -4.430 1.00 0.00 C ATOM 743 C TYR A 71 -8.795 -1.577 -3.165 1.00 0.00 C ATOM 744 O TYR A 71 -9.907 -2.037 -2.900 1.00 0.00 O ATOM 745 CB TYR A 71 -8.462 0.716 -4.048 1.00 0.00 C ATOM 746 CG TYR A 71 -8.356 1.672 -5.218 1.00 0.00 C ATOM 747 CD1 TYR A 71 -7.122 1.998 -5.766 1.00 0.00 C ATOM 748 CD2 TYR A 71 -9.491 2.263 -5.763 1.00 0.00 C ATOM 749 CE1 TYR A 71 -7.022 2.882 -6.824 1.00 0.00 C ATOM 750 CE2 TYR A 71 -9.399 3.149 -6.818 1.00 0.00 C ATOM 751 CZ TYR A 71 -8.162 3.455 -7.346 1.00 0.00 C ATOM 752 OH TYR A 71 -8.065 4.343 -8.394 1.00 0.00 O ATOM 0 H TYR A 71 -10.584 -0.732 -4.975 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.649 -1.081 -4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.335 0.987 -3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.589 0.848 -3.410 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.226 1.553 -5.359 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.462 2.025 -5.354 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.055 3.123 -7.240 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.291 3.600 -7.228 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.960 4.654 -8.643 1.00 0.00 H new ATOM 762 N TYR A 72 -7.742 -1.755 -2.393 1.00 0.00 N ATOM 763 CA TYR A 72 -7.856 -2.365 -1.082 1.00 0.00 C ATOM 764 C TYR A 72 -6.702 -1.907 -0.209 1.00 0.00 C ATOM 765 O TYR A 72 -5.648 -1.522 -0.716 1.00 0.00 O ATOM 766 CB TYR A 72 -7.887 -3.898 -1.176 1.00 0.00 C ATOM 767 CG TYR A 72 -6.624 -4.523 -1.728 1.00 0.00 C ATOM 768 CD1 TYR A 72 -5.585 -4.892 -0.884 1.00 0.00 C ATOM 769 CD2 TYR A 72 -6.475 -4.752 -3.089 1.00 0.00 C ATOM 770 CE1 TYR A 72 -4.435 -5.468 -1.380 1.00 0.00 C ATOM 771 CE2 TYR A 72 -5.327 -5.332 -3.593 1.00 0.00 C ATOM 772 CZ TYR A 72 -4.311 -5.687 -2.734 1.00 0.00 C ATOM 773 OH TYR A 72 -3.167 -6.266 -3.227 1.00 0.00 O ATOM 0 H TYR A 72 -6.793 -1.485 -2.652 1.00 0.00 H new ATOM 0 HA TYR A 72 -8.798 -2.048 -0.634 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.074 -4.306 -0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.727 -4.193 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -5.679 -4.725 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.270 -4.472 -3.765 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.635 -5.746 -0.710 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.227 -5.506 -4.654 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.237 -6.352 -4.201 1.00 0.00 H new ATOM 783 N HIS A 73 -6.906 -1.927 1.097 1.00 0.00 N ATOM 784 CA HIS A 73 -5.856 -1.552 2.026 1.00 0.00 C ATOM 785 C HIS A 73 -5.739 -2.573 3.145 1.00 0.00 C ATOM 786 O HIS A 73 -6.725 -2.903 3.802 1.00 0.00 O ATOM 787 CB HIS A 73 -6.109 -0.161 2.619 1.00 0.00 C ATOM 788 CG HIS A 73 -5.089 0.233 3.646 1.00 0.00 C ATOM 789 ND1 HIS A 73 -3.771 0.473 3.338 1.00 0.00 N ATOM 790 CD2 HIS A 73 -5.189 0.379 4.986 1.00 0.00 C ATOM 791 CE1 HIS A 73 -3.103 0.741 4.443 1.00 0.00 C ATOM 792 NE2 HIS A 73 -3.939 0.692 5.461 1.00 0.00 N ATOM 0 H HIS A 73 -7.786 -2.198 1.536 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.920 -1.525 1.469 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.111 0.576 1.816 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.100 -0.140 3.073 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.371 0.448 2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.087 0.270 5.575 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.048 0.963 4.504 1.00 0.00 H new ATOM 801 N ILE A 74 -4.530 -3.066 3.352 1.00 0.00 N ATOM 802 CA ILE A 74 -4.252 -3.974 4.452 1.00 0.00 C ATOM 803 C ILE A 74 -4.261 -3.205 5.768 1.00 0.00 C ATOM 804 O ILE A 74 -3.391 -2.371 6.014 1.00 0.00 O ATOM 805 CB ILE A 74 -2.887 -4.665 4.270 1.00 0.00 C ATOM 806 CG1 ILE A 74 -2.797 -5.284 2.874 1.00 0.00 C ATOM 807 CG2 ILE A 74 -2.683 -5.727 5.344 1.00 0.00 C ATOM 808 CD1 ILE A 74 -1.430 -5.837 2.541 1.00 0.00 C ATOM 0 H ILE A 74 -3.721 -2.851 2.769 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.027 -4.740 4.465 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.097 -3.921 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.532 -6.084 2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.064 -4.530 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.714 -6.206 5.202 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.716 -5.260 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.472 -6.475 5.271 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.443 -6.259 1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.692 -5.036 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.168 -6.615 3.258 1.00 0.00 H new ATOM 820 N ILE A 75 -5.256 -3.467 6.598 1.00 0.00 N ATOM 821 CA ILE A 75 -5.402 -2.743 7.851 1.00 0.00 C ATOM 822 C ILE A 75 -4.838 -3.538 9.022 1.00 0.00 C ATOM 823 O ILE A 75 -4.624 -2.992 10.106 1.00 0.00 O ATOM 824 CB ILE A 75 -6.876 -2.363 8.130 1.00 0.00 C ATOM 825 CG1 ILE A 75 -7.800 -3.576 7.964 1.00 0.00 C ATOM 826 CG2 ILE A 75 -7.307 -1.232 7.206 1.00 0.00 C ATOM 827 CD1 ILE A 75 -9.231 -3.312 8.382 1.00 0.00 C ATOM 0 H ILE A 75 -5.973 -4.173 6.429 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.829 -1.822 7.747 1.00 0.00 H new ATOM 0 HB ILE A 75 -6.953 -2.024 9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.788 -3.891 6.921 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.406 -4.405 8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.346 -0.972 7.410 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.674 -0.361 7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.210 -1.553 6.169 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.825 -4.214 8.237 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.256 -3.027 9.434 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.644 -2.505 7.777 1.00 0.00 H new ATOM 839 N ALA A 76 -4.587 -4.824 8.798 1.00 0.00 N ATOM 840 CA ALA A 76 -4.002 -5.676 9.825 1.00 0.00 C ATOM 841 C ALA A 76 -3.359 -6.916 9.211 1.00 0.00 C ATOM 842 O ALA A 76 -4.046 -7.875 8.863 1.00 0.00 O ATOM 843 CB ALA A 76 -5.054 -6.079 10.851 1.00 0.00 C ATOM 0 H ALA A 76 -4.780 -5.298 7.915 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.223 -5.104 10.329 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.598 -6.715 11.610 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.462 -5.186 11.324 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.856 -6.625 10.354 1.00 0.00 H new ATOM 849 N ALA A 77 -2.045 -6.883 9.056 1.00 0.00 N ATOM 850 CA ALA A 77 -1.302 -8.041 8.581 1.00 0.00 C ATOM 851 C ALA A 77 -0.587 -8.696 9.752 1.00 0.00 C ATOM 852 O ALA A 77 0.432 -8.197 10.231 1.00 0.00 O ATOM 853 CB ALA A 77 -0.312 -7.644 7.496 1.00 0.00 C ATOM 0 H ALA A 77 -1.469 -6.065 9.253 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.999 -8.755 8.143 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.231 -8.527 7.158 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.850 -7.205 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.393 -6.916 7.896 1.00 0.00 H new ATOM 859 N ARG A 78 -1.131 -9.805 10.223 1.00 0.00 N ATOM 860 CA ARG A 78 -0.626 -10.448 11.423 1.00 0.00 C ATOM 861 C ARG A 78 -0.500 -11.950 11.227 1.00 0.00 C ATOM 862 O ARG A 78 -0.879 -12.488 10.186 1.00 0.00 O ATOM 863 CB ARG A 78 -1.543 -10.132 12.609 1.00 0.00 C ATOM 864 CG ARG A 78 -3.006 -10.464 12.356 1.00 0.00 C ATOM 865 CD ARG A 78 -3.917 -9.766 13.353 1.00 0.00 C ATOM 866 NE ARG A 78 -3.745 -10.256 14.722 1.00 0.00 N ATOM 867 CZ ARG A 78 -3.344 -9.496 15.744 1.00 0.00 C ATOM 868 NH1 ARG A 78 -2.951 -8.244 15.540 1.00 0.00 N ATOM 869 NH2 ARG A 78 -3.309 -9.997 16.970 1.00 0.00 N ATOM 0 H ARG A 78 -1.924 -10.279 9.791 1.00 0.00 H new ATOM 0 HA ARG A 78 0.370 -10.057 11.632 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.199 -10.688 13.481 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.457 -9.073 12.852 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.278 -10.166 11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.152 -11.542 12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.720 -8.694 13.329 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.954 -9.907 13.050 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.944 -11.239 14.906 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.954 -7.856 14.597 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.646 -7.671 16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.589 -10.964 17.134 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.002 -9.416 17.750 1.00 0.00 H new ATOM 883 N GLU A 79 0.036 -12.619 12.230 1.00 0.00 N ATOM 884 CA GLU A 79 0.258 -14.048 12.164 1.00 0.00 C ATOM 885 C GLU A 79 -0.190 -14.698 13.467 1.00 0.00 C ATOM 886 O GLU A 79 0.411 -14.481 14.518 1.00 0.00 O ATOM 887 CB GLU A 79 1.739 -14.319 11.898 1.00 0.00 C ATOM 888 CG GLU A 79 2.060 -15.755 11.530 1.00 0.00 C ATOM 889 CD GLU A 79 3.532 -15.948 11.238 1.00 0.00 C ATOM 890 OE1 GLU A 79 4.299 -16.206 12.187 1.00 0.00 O ATOM 891 OE2 GLU A 79 3.937 -15.824 10.060 1.00 0.00 O ATOM 0 H GLU A 79 0.328 -12.189 13.108 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.326 -14.477 11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 79 2.076 -13.667 11.092 1.00 0.00 H new ATOM 0 HB3 GLU A 79 2.310 -14.049 12.786 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.762 -16.414 12.346 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.476 -16.045 10.657 1.00 0.00 H new ATOM 898 N HIS A 80 -1.261 -15.470 13.395 1.00 0.00 N ATOM 899 CA HIS A 80 -1.831 -16.107 14.572 1.00 0.00 C ATOM 900 C HIS A 80 -1.388 -17.563 14.642 1.00 0.00 C ATOM 901 O HIS A 80 -2.035 -18.452 14.083 1.00 0.00 O ATOM 902 CB HIS A 80 -3.361 -16.007 14.538 1.00 0.00 C ATOM 903 CG HIS A 80 -4.037 -16.582 15.744 1.00 0.00 C ATOM 904 ND1 HIS A 80 -4.921 -17.637 15.679 1.00 0.00 N ATOM 905 CD2 HIS A 80 -3.962 -16.239 17.050 1.00 0.00 C ATOM 906 CE1 HIS A 80 -5.359 -17.917 16.890 1.00 0.00 C ATOM 907 NE2 HIS A 80 -4.793 -17.085 17.741 1.00 0.00 N ATOM 0 H HIS A 80 -1.757 -15.672 12.527 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.473 -15.593 15.464 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.644 -14.959 14.441 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.729 -16.520 13.649 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.360 -15.447 17.471 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -6.063 -18.696 17.142 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -4.947 -17.072 18.749 1.00 0.00 H new ATOM 916 N GLY A 81 -0.266 -17.793 15.304 1.00 0.00 N ATOM 917 CA GLY A 81 0.292 -19.125 15.363 1.00 0.00 C ATOM 918 C GLY A 81 0.916 -19.508 14.040 1.00 0.00 C ATOM 919 O GLY A 81 1.713 -18.751 13.488 1.00 0.00 O ATOM 0 H GLY A 81 0.268 -17.081 15.802 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.043 -19.174 16.152 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.489 -19.840 15.622 1.00 0.00 H new ATOM 923 N PRO A 82 0.556 -20.672 13.489 1.00 0.00 N ATOM 924 CA PRO A 82 0.993 -21.077 12.160 1.00 0.00 C ATOM 925 C PRO A 82 0.096 -20.490 11.072 1.00 0.00 C ATOM 926 O PRO A 82 0.347 -20.663 9.878 1.00 0.00 O ATOM 927 CB PRO A 82 0.860 -22.597 12.209 1.00 0.00 C ATOM 928 CG PRO A 82 -0.281 -22.843 13.140 1.00 0.00 C ATOM 929 CD PRO A 82 -0.289 -21.699 14.128 1.00 0.00 C ATOM 0 HA PRO A 82 1.999 -20.733 11.920 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.661 -23.010 11.220 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.776 -23.064 12.571 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.223 -22.889 12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -0.163 -23.797 13.653 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.300 -21.331 14.305 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.113 -22.003 15.094 1.00 0.00 H new ATOM 937 N ASN A 83 -0.945 -19.785 11.497 1.00 0.00 N ATOM 938 CA ASN A 83 -1.940 -19.249 10.578 1.00 0.00 C ATOM 939 C ASN A 83 -1.673 -17.779 10.298 1.00 0.00 C ATOM 940 O ASN A 83 -1.777 -16.944 11.193 1.00 0.00 O ATOM 941 CB ASN A 83 -3.350 -19.391 11.163 1.00 0.00 C ATOM 942 CG ASN A 83 -3.704 -20.809 11.574 1.00 0.00 C ATOM 943 OD1 ASN A 83 -4.484 -21.013 12.505 1.00 0.00 O ATOM 944 ND2 ASN A 83 -3.139 -21.798 10.902 1.00 0.00 N ATOM 0 H ASN A 83 -1.122 -19.570 12.478 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.872 -19.817 9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.440 -18.738 12.031 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.075 -19.045 10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.345 -22.766 11.150 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -2.497 -21.593 10.136 1.00 0.00 H new ATOM 951 N PHE A 84 -1.331 -17.460 9.063 1.00 0.00 N ATOM 952 CA PHE A 84 -1.124 -16.072 8.679 1.00 0.00 C ATOM 953 C PHE A 84 -2.469 -15.422 8.380 1.00 0.00 C ATOM 954 O PHE A 84 -3.293 -15.991 7.658 1.00 0.00 O ATOM 955 CB PHE A 84 -0.198 -15.974 7.463 1.00 0.00 C ATOM 956 CG PHE A 84 0.164 -14.561 7.095 1.00 0.00 C ATOM 957 CD1 PHE A 84 1.105 -13.858 7.833 1.00 0.00 C ATOM 958 CD2 PHE A 84 -0.437 -13.936 6.014 1.00 0.00 C ATOM 959 CE1 PHE A 84 1.438 -12.558 7.499 1.00 0.00 C ATOM 960 CE2 PHE A 84 -0.108 -12.636 5.677 1.00 0.00 C ATOM 961 CZ PHE A 84 0.831 -11.947 6.419 1.00 0.00 C ATOM 0 H PHE A 84 -1.191 -18.136 8.312 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.646 -15.545 9.505 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.715 -16.533 7.666 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.681 -16.451 6.610 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.583 -14.331 8.678 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.170 -14.470 5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.172 -12.021 8.082 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.585 -12.159 4.834 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.090 -10.932 6.155 1.00 0.00 H new ATOM 971 N GLU A 85 -2.695 -14.243 8.946 1.00 0.00 N ATOM 972 CA GLU A 85 -3.965 -13.555 8.790 1.00 0.00 C ATOM 973 C GLU A 85 -3.757 -12.176 8.175 1.00 0.00 C ATOM 974 O GLU A 85 -3.204 -11.272 8.802 1.00 0.00 O ATOM 975 CB GLU A 85 -4.680 -13.423 10.139 1.00 0.00 C ATOM 976 CG GLU A 85 -4.885 -14.751 10.849 1.00 0.00 C ATOM 977 CD GLU A 85 -5.738 -14.627 12.094 1.00 0.00 C ATOM 978 OE1 GLU A 85 -5.339 -13.903 13.023 1.00 0.00 O ATOM 979 OE2 GLU A 85 -6.809 -15.272 12.151 1.00 0.00 O ATOM 0 H GLU A 85 -2.013 -13.745 9.518 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.588 -14.148 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.103 -12.761 10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.650 -12.950 9.983 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.353 -15.456 10.162 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.914 -15.167 11.119 1.00 0.00 H new ATOM 986 N ALA A 86 -4.200 -12.029 6.938 1.00 0.00 N ATOM 987 CA ALA A 86 -4.107 -10.762 6.240 1.00 0.00 C ATOM 988 C ALA A 86 -5.476 -10.101 6.165 1.00 0.00 C ATOM 989 O ALA A 86 -6.339 -10.511 5.388 1.00 0.00 O ATOM 990 CB ALA A 86 -3.534 -10.961 4.845 1.00 0.00 C ATOM 0 H ALA A 86 -4.630 -12.778 6.395 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.435 -10.108 6.795 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.472 -9.999 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.538 -11.397 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.181 -11.630 4.278 1.00 0.00 H new ATOM 996 N VAL A 87 -5.676 -9.101 7.006 1.00 0.00 N ATOM 997 CA VAL A 87 -6.933 -8.372 7.032 1.00 0.00 C ATOM 998 C VAL A 87 -6.832 -7.123 6.166 1.00 0.00 C ATOM 999 O VAL A 87 -6.153 -6.153 6.520 1.00 0.00 O ATOM 1000 CB VAL A 87 -7.322 -7.972 8.473 1.00 0.00 C ATOM 1001 CG1 VAL A 87 -8.651 -7.230 8.490 1.00 0.00 C ATOM 1002 CG2 VAL A 87 -7.381 -9.197 9.374 1.00 0.00 C ATOM 0 H VAL A 87 -4.984 -8.775 7.680 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.707 -9.030 6.638 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.553 -7.301 8.856 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.903 -6.959 9.515 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -8.571 -6.327 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -9.431 -7.872 8.082 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -7.657 -8.893 10.384 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.124 -9.896 8.990 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.405 -9.681 9.395 1.00 0.00 H new ATOM 1012 N ALA A 88 -7.494 -7.157 5.024 1.00 0.00 N ATOM 1013 CA ALA A 88 -7.499 -6.030 4.114 1.00 0.00 C ATOM 1014 C ALA A 88 -8.924 -5.582 3.850 1.00 0.00 C ATOM 1015 O ALA A 88 -9.844 -6.395 3.819 1.00 0.00 O ATOM 1016 CB ALA A 88 -6.802 -6.388 2.810 1.00 0.00 C ATOM 0 H ALA A 88 -8.038 -7.959 4.705 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.952 -5.208 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.817 -5.527 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.769 -6.670 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.319 -7.223 2.338 1.00 0.00 H new ATOM 1022 N GLU A 89 -9.114 -4.294 3.678 1.00 0.00 N ATOM 1023 CA GLU A 89 -10.438 -3.768 3.437 1.00 0.00 C ATOM 1024 C GLU A 89 -10.568 -3.319 1.987 1.00 0.00 C ATOM 1025 O GLU A 89 -9.655 -2.708 1.432 1.00 0.00 O ATOM 1026 CB GLU A 89 -10.735 -2.628 4.406 1.00 0.00 C ATOM 1027 CG GLU A 89 -12.197 -2.243 4.441 1.00 0.00 C ATOM 1028 CD GLU A 89 -12.618 -1.700 5.785 1.00 0.00 C ATOM 1029 OE1 GLU A 89 -12.912 -2.511 6.682 1.00 0.00 O ATOM 1030 OE2 GLU A 89 -12.671 -0.464 5.949 1.00 0.00 O ATOM 0 H GLU A 89 -8.372 -3.594 3.700 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.174 -4.553 3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.418 -2.919 5.408 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.143 -1.757 4.125 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.391 -1.494 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.805 -3.114 4.198 1.00 0.00 H new ATOM 1037 N VAL A 90 -11.701 -3.640 1.383 1.00 0.00 N ATOM 1038 CA VAL A 90 -11.926 -3.386 -0.032 1.00 0.00 C ATOM 1039 C VAL A 90 -12.561 -2.018 -0.241 1.00 0.00 C ATOM 1040 O VAL A 90 -13.580 -1.693 0.378 1.00 0.00 O ATOM 1041 CB VAL A 90 -12.836 -4.468 -0.652 1.00 0.00 C ATOM 1042 CG1 VAL A 90 -12.990 -4.264 -2.150 1.00 0.00 C ATOM 1043 CG2 VAL A 90 -12.295 -5.856 -0.355 1.00 0.00 C ATOM 0 H VAL A 90 -12.488 -4.082 1.857 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.955 -3.412 -0.526 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.823 -4.376 -0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.636 -5.041 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.433 -3.286 -2.340 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.011 -4.318 -2.627 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.950 -6.605 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.294 -5.954 -0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.252 -6.007 0.724 1.00 0.00 H new ATOM 1053 N TYR A 91 -11.965 -1.226 -1.116 1.00 0.00 N ATOM 1054 CA TYR A 91 -12.459 0.111 -1.396 1.00 0.00 C ATOM 1055 C TYR A 91 -12.638 0.315 -2.893 1.00 0.00 C ATOM 1056 O TYR A 91 -11.910 -0.257 -3.708 1.00 0.00 O ATOM 1057 CB TYR A 91 -11.499 1.169 -0.846 1.00 0.00 C ATOM 1058 CG TYR A 91 -11.280 1.092 0.649 1.00 0.00 C ATOM 1059 CD1 TYR A 91 -12.245 1.545 1.540 1.00 0.00 C ATOM 1060 CD2 TYR A 91 -10.103 0.568 1.168 1.00 0.00 C ATOM 1061 CE1 TYR A 91 -12.043 1.480 2.904 1.00 0.00 C ATOM 1062 CE2 TYR A 91 -9.894 0.500 2.533 1.00 0.00 C ATOM 1063 CZ TYR A 91 -10.867 0.957 3.395 1.00 0.00 C ATOM 1064 OH TYR A 91 -10.665 0.889 4.755 1.00 0.00 O ATOM 0 H TYR A 91 -11.134 -1.488 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.426 0.219 -0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -10.537 1.067 -1.348 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -11.885 2.158 -1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -13.169 1.955 1.159 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -9.339 0.208 0.495 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.803 1.837 3.583 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.973 0.091 2.922 1.00 0.00 H new ATOM 0 HH TYR A 91 -11.483 0.571 5.192 1.00 0.00 H new ATOM 1074 N ASN A 92 -13.616 1.118 -3.256 1.00 0.00 N ATOM 1075 CA ASN A 92 -13.832 1.470 -4.648 1.00 0.00 C ATOM 1076 C ASN A 92 -13.995 2.983 -4.751 1.00 0.00 C ATOM 1077 O ASN A 92 -14.005 3.672 -3.733 1.00 0.00 O ATOM 1078 CB ASN A 92 -15.066 0.737 -5.194 1.00 0.00 C ATOM 1079 CG ASN A 92 -15.006 0.504 -6.696 1.00 0.00 C ATOM 1080 OD1 ASN A 92 -14.434 1.295 -7.443 1.00 0.00 O ATOM 1081 ND2 ASN A 92 -15.581 -0.601 -7.145 1.00 0.00 N ATOM 0 H ASN A 92 -14.277 1.542 -2.605 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.976 1.164 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.165 -0.223 -4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.959 1.316 -4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.558 -0.819 -8.141 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.047 -1.234 -6.495 1.00 0.00 H new ATOM 1088 N ASP A 93 -14.107 3.505 -5.960 1.00 0.00 N ATOM 1089 CA ASP A 93 -14.250 4.943 -6.154 1.00 0.00 C ATOM 1090 C ASP A 93 -15.672 5.369 -5.793 1.00 0.00 C ATOM 1091 O ASP A 93 -16.584 4.537 -5.758 1.00 0.00 O ATOM 1092 CB ASP A 93 -13.930 5.319 -7.608 1.00 0.00 C ATOM 1093 CG ASP A 93 -13.678 6.807 -7.803 1.00 0.00 C ATOM 1094 OD1 ASP A 93 -14.655 7.587 -7.831 1.00 0.00 O ATOM 1095 OD2 ASP A 93 -12.497 7.201 -7.946 1.00 0.00 O ATOM 0 H ASP A 93 -14.102 2.959 -6.822 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.547 5.464 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -13.051 4.763 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -14.758 5.011 -8.246 1.00 0.00 H new ATOM 1100 N ALA A 94 -15.864 6.656 -5.530 1.00 0.00 N ATOM 1101 CA ALA A 94 -17.182 7.182 -5.185 1.00 0.00 C ATOM 1102 C ALA A 94 -18.041 7.338 -6.434 1.00 0.00 C ATOM 1103 O ALA A 94 -19.182 7.802 -6.372 1.00 0.00 O ATOM 1104 CB ALA A 94 -17.051 8.508 -4.452 1.00 0.00 C ATOM 0 H ALA A 94 -15.123 7.357 -5.549 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.674 6.471 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -18.043 8.885 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -16.477 8.363 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -16.539 9.228 -5.091 1.00 0.00 H new ATOM 1290 N ALA B 22 6.802 -1.604 -8.809 1.00 0.00 N ATOM 1291 CA ALA B 22 7.187 -1.403 -7.397 1.00 0.00 C ATOM 1292 C ALA B 22 6.011 -1.716 -6.484 1.00 0.00 C ATOM 1293 O ALA B 22 4.869 -1.365 -6.785 1.00 0.00 O ATOM 1294 CB ALA B 22 7.672 0.022 -7.179 1.00 0.00 C ATOM 0 HA ALA B 22 8.004 -2.083 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.952 0.155 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA B 22 8.537 0.213 -7.814 1.00 0.00 H new ATOM 0 HB3 ALA B 22 6.875 0.721 -7.433 1.00 0.00 H new ATOM 1302 N GLU B 23 6.300 -2.363 -5.367 1.00 0.00 N ATOM 1303 CA GLU B 23 5.261 -2.874 -4.483 1.00 0.00 C ATOM 1304 C GLU B 23 5.000 -1.912 -3.336 1.00 0.00 C ATOM 1305 O GLU B 23 5.935 -1.380 -2.736 1.00 0.00 O ATOM 1306 CB GLU B 23 5.683 -4.232 -3.914 1.00 0.00 C ATOM 1307 CG GLU B 23 6.009 -5.276 -4.970 1.00 0.00 C ATOM 1308 CD GLU B 23 4.789 -5.735 -5.738 1.00 0.00 C ATOM 1309 OE1 GLU B 23 4.131 -6.699 -5.289 1.00 0.00 O ATOM 1310 OE2 GLU B 23 4.488 -5.147 -6.795 1.00 0.00 O ATOM 0 H GLU B 23 7.251 -2.548 -5.048 1.00 0.00 H new ATOM 0 HA GLU B 23 4.346 -2.983 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU B 23 6.556 -4.091 -3.277 1.00 0.00 H new ATOM 0 HB3 GLU B 23 4.883 -4.612 -3.279 1.00 0.00 H new ATOM 0 HG2 GLU B 23 6.738 -4.865 -5.668 1.00 0.00 H new ATOM 0 HG3 GLU B 23 6.476 -6.137 -4.491 1.00 0.00 H new ATOM 1317 N GLN B 24 3.732 -1.680 -3.035 1.00 0.00 N ATOM 1318 CA GLN B 24 3.371 -0.893 -1.871 1.00 0.00 C ATOM 1319 C GLN B 24 2.940 -1.823 -0.749 1.00 0.00 C ATOM 1320 O GLN B 24 1.970 -2.568 -0.891 1.00 0.00 O ATOM 1321 CB GLN B 24 2.241 0.093 -2.172 1.00 0.00 C ATOM 1322 CG GLN B 24 2.069 1.134 -1.075 1.00 0.00 C ATOM 1323 CD GLN B 24 0.682 1.739 -1.028 1.00 0.00 C ATOM 1324 OE1 GLN B 24 -0.191 1.239 -0.327 1.00 0.00 O ATOM 1325 NE2 GLN B 24 0.477 2.822 -1.761 1.00 0.00 N ATOM 0 H GLN B 24 2.941 -2.024 -3.579 1.00 0.00 H new ATOM 0 HA GLN B 24 4.247 -0.316 -1.576 1.00 0.00 H new ATOM 0 HB2 GLN B 24 2.444 0.596 -3.117 1.00 0.00 H new ATOM 0 HB3 GLN B 24 1.308 -0.456 -2.297 1.00 0.00 H new ATOM 0 HG2 GLN B 24 2.289 0.674 -0.111 1.00 0.00 H new ATOM 0 HG3 GLN B 24 2.799 1.930 -1.223 1.00 0.00 H new ATOM 0 HE21 GLN B 24 1.233 3.204 -2.330 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -0.437 3.275 -1.757 1.00 0.00 H new ATOM 1334 N VAL B 25 3.668 -1.787 0.349 1.00 0.00 N ATOM 1335 CA VAL B 25 3.363 -2.629 1.496 1.00 0.00 C ATOM 1336 C VAL B 25 3.234 -1.781 2.752 1.00 0.00 C ATOM 1337 O VAL B 25 3.798 -0.686 2.833 1.00 0.00 O ATOM 1338 CB VAL B 25 4.442 -3.714 1.713 1.00 0.00 C ATOM 1339 CG1 VAL B 25 4.397 -4.750 0.600 1.00 0.00 C ATOM 1340 CG2 VAL B 25 5.826 -3.088 1.805 1.00 0.00 C ATOM 0 H VAL B 25 4.479 -1.182 0.475 1.00 0.00 H new ATOM 0 HA VAL B 25 2.416 -3.129 1.291 1.00 0.00 H new ATOM 0 HB VAL B 25 4.231 -4.217 2.657 1.00 0.00 H new ATOM 0 HG11 VAL B 25 5.165 -5.504 0.773 1.00 0.00 H new ATOM 0 HG12 VAL B 25 3.417 -5.227 0.586 1.00 0.00 H new ATOM 0 HG13 VAL B 25 4.577 -4.263 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL B 25 6.570 -3.870 1.958 1.00 0.00 H new ATOM 0 HG22 VAL B 25 6.046 -2.554 0.881 1.00 0.00 H new ATOM 0 HG23 VAL B 25 5.855 -2.391 2.643 1.00 0.00 H new ATOM 1350 N SER B 26 2.489 -2.279 3.722 1.00 0.00 N ATOM 1351 CA SER B 26 2.297 -1.571 4.971 1.00 0.00 C ATOM 1352 C SER B 26 3.357 -2.000 5.979 1.00 0.00 C ATOM 1353 O SER B 26 4.011 -3.034 5.807 1.00 0.00 O ATOM 1354 CB SER B 26 0.893 -1.836 5.511 1.00 0.00 C ATOM 1355 OG SER B 26 -0.087 -1.564 4.524 1.00 0.00 O ATOM 0 H SER B 26 2.006 -3.175 3.667 1.00 0.00 H new ATOM 0 HA SER B 26 2.401 -0.500 4.798 1.00 0.00 H new ATOM 0 HB2 SER B 26 0.813 -2.874 5.833 1.00 0.00 H new ATOM 0 HB3 SER B 26 0.713 -1.215 6.389 1.00 0.00 H new ATOM 0 HG SER B 26 -0.978 -1.742 4.890 1.00 0.00 H new ATOM 1361 N LYS B 27 3.521 -1.210 7.036 1.00 0.00 N ATOM 1362 CA LYS B 27 4.588 -1.435 8.004 1.00 0.00 C ATOM 1363 C LYS B 27 4.426 -2.783 8.703 1.00 0.00 C ATOM 1364 O LYS B 27 5.396 -3.346 9.207 1.00 0.00 O ATOM 1365 CB LYS B 27 4.619 -0.301 9.030 1.00 0.00 C ATOM 1366 CG LYS B 27 5.861 -0.302 9.905 1.00 0.00 C ATOM 1367 CD LYS B 27 5.853 0.860 10.881 1.00 0.00 C ATOM 1368 CE LYS B 27 7.141 0.917 11.688 1.00 0.00 C ATOM 1369 NZ LYS B 27 7.127 2.029 12.671 1.00 0.00 N ATOM 0 H LYS B 27 2.927 -0.407 7.244 1.00 0.00 H new ATOM 0 HA LYS B 27 5.536 -1.450 7.465 1.00 0.00 H new ATOM 0 HB2 LYS B 27 4.555 0.653 8.506 1.00 0.00 H new ATOM 0 HB3 LYS B 27 3.737 -0.375 9.666 1.00 0.00 H new ATOM 0 HG2 LYS B 27 5.919 -1.241 10.456 1.00 0.00 H new ATOM 0 HG3 LYS B 27 6.750 -0.245 9.277 1.00 0.00 H new ATOM 0 HD2 LYS B 27 5.722 1.794 10.335 1.00 0.00 H new ATOM 0 HD3 LYS B 27 5.003 0.764 11.556 1.00 0.00 H new ATOM 0 HE2 LYS B 27 7.284 -0.029 12.211 1.00 0.00 H new ATOM 0 HE3 LYS B 27 7.988 1.039 11.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 8.022 2.035 13.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 7.016 2.934 12.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 6.334 1.899 13.331 1.00 0.00 H new ATOM 1383 N GLN B 28 3.203 -3.301 8.717 1.00 0.00 N ATOM 1384 CA GLN B 28 2.932 -4.608 9.297 1.00 0.00 C ATOM 1385 C GLN B 28 3.704 -5.683 8.535 1.00 0.00 C ATOM 1386 O GLN B 28 4.386 -6.520 9.131 1.00 0.00 O ATOM 1387 CB GLN B 28 1.432 -4.936 9.262 1.00 0.00 C ATOM 1388 CG GLN B 28 0.527 -3.872 9.875 1.00 0.00 C ATOM 1389 CD GLN B 28 0.199 -2.743 8.912 1.00 0.00 C ATOM 1390 OE1 GLN B 28 0.895 -1.728 8.856 1.00 0.00 O ATOM 1391 NE2 GLN B 28 -0.859 -2.917 8.136 1.00 0.00 N ATOM 0 H GLN B 28 2.383 -2.833 8.332 1.00 0.00 H new ATOM 0 HA GLN B 28 3.254 -4.586 10.338 1.00 0.00 H new ATOM 0 HB2 GLN B 28 1.133 -5.093 8.225 1.00 0.00 H new ATOM 0 HB3 GLN B 28 1.269 -5.877 9.787 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -0.400 -4.339 10.207 1.00 0.00 H new ATOM 0 HG3 GLN B 28 1.010 -3.458 10.760 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -1.411 -3.771 8.211 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -1.122 -2.197 7.463 1.00 0.00 H new ATOM 1400 N GLU B 29 3.610 -5.637 7.210 1.00 0.00 N ATOM 1401 CA GLU B 29 4.291 -6.600 6.360 1.00 0.00 C ATOM 1402 C GLU B 29 5.791 -6.347 6.393 1.00 0.00 C ATOM 1403 O GLU B 29 6.591 -7.283 6.458 1.00 0.00 O ATOM 1404 CB GLU B 29 3.783 -6.521 4.914 1.00 0.00 C ATOM 1405 CG GLU B 29 2.269 -6.628 4.773 1.00 0.00 C ATOM 1406 CD GLU B 29 1.565 -5.293 4.937 1.00 0.00 C ATOM 1407 OE1 GLU B 29 1.285 -4.898 6.089 1.00 0.00 O ATOM 1408 OE2 GLU B 29 1.302 -4.629 3.913 1.00 0.00 O ATOM 0 H GLU B 29 3.066 -4.939 6.703 1.00 0.00 H new ATOM 0 HA GLU B 29 4.079 -7.599 6.741 1.00 0.00 H new ATOM 0 HB2 GLU B 29 4.111 -5.578 4.477 1.00 0.00 H new ATOM 0 HB3 GLU B 29 4.247 -7.319 4.334 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.029 -7.042 3.794 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.888 -7.328 5.517 1.00 0.00 H new ATOM 1415 N ILE B 30 6.159 -5.072 6.366 1.00 0.00 N ATOM 1416 CA ILE B 30 7.557 -4.664 6.426 1.00 0.00 C ATOM 1417 C ILE B 30 8.225 -5.207 7.686 1.00 0.00 C ATOM 1418 O ILE B 30 9.346 -5.714 7.639 1.00 0.00 O ATOM 1419 CB ILE B 30 7.689 -3.126 6.410 1.00 0.00 C ATOM 1420 CG1 ILE B 30 7.042 -2.552 5.147 1.00 0.00 C ATOM 1421 CG2 ILE B 30 9.153 -2.712 6.495 1.00 0.00 C ATOM 1422 CD1 ILE B 30 6.942 -1.043 5.148 1.00 0.00 C ATOM 0 H ILE B 30 5.501 -4.295 6.302 1.00 0.00 H new ATOM 0 HA ILE B 30 8.053 -5.074 5.546 1.00 0.00 H new ATOM 0 HB ILE B 30 7.170 -2.725 7.281 1.00 0.00 H new ATOM 0 HG12 ILE B 30 7.619 -2.869 4.278 1.00 0.00 H new ATOM 0 HG13 ILE B 30 6.043 -2.974 5.037 1.00 0.00 H new ATOM 0 HG21 ILE B 30 9.225 -1.624 6.482 1.00 0.00 H new ATOM 0 HG22 ILE B 30 9.586 -3.094 7.420 1.00 0.00 H new ATOM 0 HG23 ILE B 30 9.697 -3.121 5.644 1.00 0.00 H new ATOM 0 HD11 ILE B 30 6.474 -0.709 4.222 1.00 0.00 H new ATOM 0 HD12 ILE B 30 6.340 -0.719 5.997 1.00 0.00 H new ATOM 0 HD13 ILE B 30 7.940 -0.612 5.226 1.00 0.00 H new ATOM 1434 N SER B 31 7.518 -5.111 8.802 1.00 0.00 N ATOM 1435 CA SER B 31 8.040 -5.556 10.082 1.00 0.00 C ATOM 1436 C SER B 31 8.087 -7.079 10.154 1.00 0.00 C ATOM 1437 O SER B 31 9.020 -7.652 10.713 1.00 0.00 O ATOM 1438 CB SER B 31 7.178 -5.002 11.220 1.00 0.00 C ATOM 1439 OG SER B 31 7.771 -5.246 12.484 1.00 0.00 O ATOM 0 H SER B 31 6.575 -4.726 8.845 1.00 0.00 H new ATOM 0 HA SER B 31 9.057 -5.179 10.186 1.00 0.00 H new ATOM 0 HB2 SER B 31 7.038 -3.930 11.083 1.00 0.00 H new ATOM 0 HB3 SER B 31 6.189 -5.460 11.186 1.00 0.00 H new ATOM 0 HG SER B 31 7.199 -4.880 13.190 1.00 0.00 H new ATOM 1445 N HIS B 32 7.088 -7.736 9.577 1.00 0.00 N ATOM 1446 CA HIS B 32 6.987 -9.189 9.666 1.00 0.00 C ATOM 1447 C HIS B 32 8.017 -9.870 8.769 1.00 0.00 C ATOM 1448 O HIS B 32 8.679 -10.820 9.185 1.00 0.00 O ATOM 1449 CB HIS B 32 5.575 -9.658 9.300 1.00 0.00 C ATOM 1450 CG HIS B 32 5.293 -11.079 9.689 1.00 0.00 C ATOM 1451 ND1 HIS B 32 5.266 -11.503 11.000 1.00 0.00 N ATOM 1452 CD2 HIS B 32 5.017 -12.175 8.940 1.00 0.00 C ATOM 1453 CE1 HIS B 32 4.987 -12.790 11.042 1.00 0.00 C ATOM 1454 NE2 HIS B 32 4.831 -13.223 9.808 1.00 0.00 N ATOM 0 H HIS B 32 6.340 -7.290 9.046 1.00 0.00 H new ATOM 0 HA HIS B 32 7.193 -9.472 10.698 1.00 0.00 H new ATOM 0 HB2 HIS B 32 4.848 -9.007 9.785 1.00 0.00 H new ATOM 0 HB3 HIS B 32 5.433 -9.550 8.225 1.00 0.00 H new ATOM 0 HD2 HIS B 32 4.955 -12.216 7.863 1.00 0.00 H new ATOM 0 HE1 HIS B 32 4.901 -13.389 11.937 1.00 0.00 H new ATOM 0 HE2 HIS B 32 4.608 -14.182 9.540 1.00 0.00 H new ATOM 1463 N PHE B 33 8.161 -9.383 7.544 1.00 0.00 N ATOM 1464 CA PHE B 33 9.082 -9.994 6.590 1.00 0.00 C ATOM 1465 C PHE B 33 10.485 -9.404 6.714 1.00 0.00 C ATOM 1466 O PHE B 33 11.435 -9.924 6.125 1.00 0.00 O ATOM 1467 CB PHE B 33 8.564 -9.830 5.158 1.00 0.00 C ATOM 1468 CG PHE B 33 7.297 -10.595 4.885 1.00 0.00 C ATOM 1469 CD1 PHE B 33 7.341 -11.949 4.592 1.00 0.00 C ATOM 1470 CD2 PHE B 33 6.064 -9.962 4.921 1.00 0.00 C ATOM 1471 CE1 PHE B 33 6.181 -12.656 4.338 1.00 0.00 C ATOM 1472 CE2 PHE B 33 4.901 -10.664 4.667 1.00 0.00 C ATOM 1473 CZ PHE B 33 4.959 -12.013 4.378 1.00 0.00 C ATOM 0 H PHE B 33 7.656 -8.572 7.187 1.00 0.00 H new ATOM 0 HA PHE B 33 9.141 -11.057 6.824 1.00 0.00 H new ATOM 0 HB2 PHE B 33 8.389 -8.772 4.963 1.00 0.00 H new ATOM 0 HB3 PHE B 33 9.335 -10.160 4.462 1.00 0.00 H new ATOM 0 HD1 PHE B 33 8.293 -12.458 4.562 1.00 0.00 H new ATOM 0 HD2 PHE B 33 6.012 -8.908 5.150 1.00 0.00 H new ATOM 0 HE1 PHE B 33 6.230 -13.710 4.108 1.00 0.00 H new ATOM 0 HE2 PHE B 33 3.947 -10.158 4.695 1.00 0.00 H new ATOM 0 HZ PHE B 33 4.051 -12.564 4.184 1.00 0.00 H new ATOM 1483 N LYS B 34 10.597 -8.324 7.487 1.00 0.00 N ATOM 1484 CA LYS B 34 11.876 -7.654 7.727 1.00 0.00 C ATOM 1485 C LYS B 34 12.481 -7.145 6.420 1.00 0.00 C ATOM 1486 O LYS B 34 13.441 -7.718 5.900 1.00 0.00 O ATOM 1487 CB LYS B 34 12.862 -8.589 8.439 1.00 0.00 C ATOM 1488 CG LYS B 34 13.404 -8.039 9.751 1.00 0.00 C ATOM 1489 CD LYS B 34 12.323 -7.947 10.817 1.00 0.00 C ATOM 1490 CE LYS B 34 11.724 -9.313 11.127 1.00 0.00 C ATOM 1491 NZ LYS B 34 10.685 -9.237 12.187 1.00 0.00 N ATOM 0 H LYS B 34 9.807 -7.890 7.963 1.00 0.00 H new ATOM 0 HA LYS B 34 11.684 -6.798 8.374 1.00 0.00 H new ATOM 0 HB2 LYS B 34 12.368 -9.541 8.633 1.00 0.00 H new ATOM 0 HB3 LYS B 34 13.698 -8.795 7.771 1.00 0.00 H new ATOM 0 HG2 LYS B 34 14.211 -8.679 10.107 1.00 0.00 H new ATOM 0 HG3 LYS B 34 13.832 -7.051 9.581 1.00 0.00 H new ATOM 0 HD2 LYS B 34 12.744 -7.519 11.727 1.00 0.00 H new ATOM 0 HD3 LYS B 34 11.536 -7.272 10.481 1.00 0.00 H new ATOM 0 HE2 LYS B 34 11.287 -9.732 10.220 1.00 0.00 H new ATOM 0 HE3 LYS B 34 12.515 -9.993 11.443 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 10.364 -10.196 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 11.085 -8.783 13.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 9.878 -8.678 11.843 1.00 0.00 H new ATOM 1505 N LEU B 35 11.895 -6.083 5.883 1.00 0.00 N ATOM 1506 CA LEU B 35 12.372 -5.491 4.639 1.00 0.00 C ATOM 1507 C LEU B 35 13.493 -4.497 4.918 1.00 0.00 C ATOM 1508 O LEU B 35 13.581 -3.947 6.016 1.00 0.00 O ATOM 1509 CB LEU B 35 11.222 -4.800 3.901 1.00 0.00 C ATOM 1510 CG LEU B 35 10.086 -5.725 3.461 1.00 0.00 C ATOM 1511 CD1 LEU B 35 8.977 -4.927 2.796 1.00 0.00 C ATOM 1512 CD2 LEU B 35 10.608 -6.799 2.517 1.00 0.00 C ATOM 0 H LEU B 35 11.087 -5.613 6.290 1.00 0.00 H new ATOM 0 HA LEU B 35 12.763 -6.287 4.006 1.00 0.00 H new ATOM 0 HB2 LEU B 35 10.809 -4.025 4.547 1.00 0.00 H new ATOM 0 HB3 LEU B 35 11.624 -4.300 3.020 1.00 0.00 H new ATOM 0 HG LEU B 35 9.677 -6.213 4.346 1.00 0.00 H new ATOM 0 HD11 LEU B 35 8.177 -5.601 2.489 1.00 0.00 H new ATOM 0 HD12 LEU B 35 8.584 -4.194 3.500 1.00 0.00 H new ATOM 0 HD13 LEU B 35 9.374 -4.413 1.921 1.00 0.00 H new ATOM 0 HD21 LEU B 35 9.786 -7.448 2.214 1.00 0.00 H new ATOM 0 HD22 LEU B 35 11.043 -6.328 1.635 1.00 0.00 H new ATOM 0 HD23 LEU B 35 11.370 -7.391 3.025 1.00 0.00 H new ATOM 1524 N VAL B 36 14.338 -4.264 3.923 1.00 0.00 N ATOM 1525 CA VAL B 36 15.498 -3.400 4.098 1.00 0.00 C ATOM 1526 C VAL B 36 15.132 -1.943 3.839 1.00 0.00 C ATOM 1527 O VAL B 36 14.813 -1.564 2.713 1.00 0.00 O ATOM 1528 CB VAL B 36 16.652 -3.812 3.160 1.00 0.00 C ATOM 1529 CG1 VAL B 36 17.892 -2.976 3.428 1.00 0.00 C ATOM 1530 CG2 VAL B 36 16.964 -5.292 3.313 1.00 0.00 C ATOM 0 H VAL B 36 14.243 -4.660 2.988 1.00 0.00 H new ATOM 0 HA VAL B 36 15.830 -3.510 5.130 1.00 0.00 H new ATOM 0 HB VAL B 36 16.335 -3.631 2.133 1.00 0.00 H new ATOM 0 HG11 VAL B 36 18.692 -3.285 2.755 1.00 0.00 H new ATOM 0 HG12 VAL B 36 17.664 -1.923 3.262 1.00 0.00 H new ATOM 0 HG13 VAL B 36 18.211 -3.119 4.460 1.00 0.00 H new ATOM 0 HG21 VAL B 36 17.780 -5.563 2.643 1.00 0.00 H new ATOM 0 HG22 VAL B 36 17.256 -5.498 4.343 1.00 0.00 H new ATOM 0 HG23 VAL B 36 16.080 -5.878 3.063 1.00 0.00 H new ATOM 1540 N LYS B 37 15.172 -1.130 4.884 1.00 0.00 N ATOM 1541 CA LYS B 37 14.821 0.276 4.766 1.00 0.00 C ATOM 1542 C LYS B 37 15.951 1.051 4.099 1.00 0.00 C ATOM 1543 O LYS B 37 17.066 1.121 4.619 1.00 0.00 O ATOM 1544 CB LYS B 37 14.508 0.864 6.145 1.00 0.00 C ATOM 1545 CG LYS B 37 13.920 2.268 6.100 1.00 0.00 C ATOM 1546 CD LYS B 37 13.598 2.772 7.498 1.00 0.00 C ATOM 1547 CE LYS B 37 12.991 4.168 7.479 1.00 0.00 C ATOM 1548 NZ LYS B 37 11.637 4.193 6.856 1.00 0.00 N ATOM 0 H LYS B 37 15.444 -1.420 5.823 1.00 0.00 H new ATOM 0 HA LYS B 37 13.930 0.361 4.144 1.00 0.00 H new ATOM 0 HB2 LYS B 37 13.809 0.205 6.660 1.00 0.00 H new ATOM 0 HB3 LYS B 37 15.423 0.883 6.737 1.00 0.00 H new ATOM 0 HG2 LYS B 37 14.625 2.946 5.619 1.00 0.00 H new ATOM 0 HG3 LYS B 37 13.015 2.267 5.493 1.00 0.00 H new ATOM 0 HD2 LYS B 37 12.905 2.083 7.981 1.00 0.00 H new ATOM 0 HD3 LYS B 37 14.508 2.781 8.098 1.00 0.00 H new ATOM 0 HE2 LYS B 37 12.925 4.546 8.499 1.00 0.00 H new ATOM 0 HE3 LYS B 37 13.652 4.841 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 11.642 4.838 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 11.383 3.236 6.539 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 10.940 4.523 7.554 1.00 0.00 H new ATOM 1562 N VAL B 38 15.665 1.610 2.933 1.00 0.00 N ATOM 1563 CA VAL B 38 16.636 2.419 2.216 1.00 0.00 C ATOM 1564 C VAL B 38 16.564 3.858 2.705 1.00 0.00 C ATOM 1565 O VAL B 38 17.585 4.503 2.943 1.00 0.00 O ATOM 1566 CB VAL B 38 16.393 2.381 0.690 1.00 0.00 C ATOM 1567 CG1 VAL B 38 17.438 3.203 -0.049 1.00 0.00 C ATOM 1568 CG2 VAL B 38 16.387 0.948 0.185 1.00 0.00 C ATOM 0 H VAL B 38 14.765 1.517 2.463 1.00 0.00 H new ATOM 0 HA VAL B 38 17.626 2.006 2.411 1.00 0.00 H new ATOM 0 HB VAL B 38 15.415 2.821 0.493 1.00 0.00 H new ATOM 0 HG11 VAL B 38 17.244 3.159 -1.121 1.00 0.00 H new ATOM 0 HG12 VAL B 38 17.390 4.239 0.287 1.00 0.00 H new ATOM 0 HG13 VAL B 38 18.430 2.800 0.157 1.00 0.00 H new ATOM 0 HG21 VAL B 38 16.214 0.942 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL B 38 17.348 0.482 0.401 1.00 0.00 H new ATOM 0 HG23 VAL B 38 15.594 0.390 0.683 1.00 0.00 H new ATOM 1578 N GLY B 39 15.346 4.341 2.880 1.00 0.00 N ATOM 1579 CA GLY B 39 15.147 5.694 3.348 1.00 0.00 C ATOM 1580 C GLY B 39 13.710 6.133 3.207 1.00 0.00 C ATOM 1581 O GLY B 39 12.807 5.297 3.122 1.00 0.00 O ATOM 0 H GLY B 39 14.488 3.818 2.705 1.00 0.00 H new ATOM 0 HA2 GLY B 39 15.447 5.764 4.394 1.00 0.00 H new ATOM 0 HA3 GLY B 39 15.790 6.371 2.786 1.00 0.00 H new ATOM 1585 N THR B 40 13.501 7.435 3.171 1.00 0.00 N ATOM 1586 CA THR B 40 12.172 8.004 3.041 1.00 0.00 C ATOM 1587 C THR B 40 12.211 9.183 2.067 1.00 0.00 C ATOM 1588 O THR B 40 13.066 10.064 2.181 1.00 0.00 O ATOM 1589 CB THR B 40 11.636 8.459 4.418 1.00 0.00 C ATOM 1590 OG1 THR B 40 11.658 7.353 5.338 1.00 0.00 O ATOM 1591 CG2 THR B 40 10.218 8.998 4.310 1.00 0.00 C ATOM 0 H THR B 40 14.247 8.128 3.231 1.00 0.00 H new ATOM 0 HA THR B 40 11.498 7.241 2.652 1.00 0.00 H new ATOM 0 HB THR B 40 12.280 9.259 4.782 1.00 0.00 H new ATOM 0 HG1 THR B 40 11.319 7.646 6.210 1.00 0.00 H new ATOM 0 HG21 THR B 40 9.871 9.309 5.295 1.00 0.00 H new ATOM 0 HG22 THR B 40 10.204 9.853 3.634 1.00 0.00 H new ATOM 0 HG23 THR B 40 9.561 8.219 3.923 1.00 0.00 H new ATOM 1599 N ILE B 41 11.305 9.181 1.098 1.00 0.00 N ATOM 1600 CA ILE B 41 11.293 10.205 0.060 1.00 0.00 C ATOM 1601 C ILE B 41 10.158 11.196 0.277 1.00 0.00 C ATOM 1602 O ILE B 41 9.107 10.847 0.822 1.00 0.00 O ATOM 1603 CB ILE B 41 11.160 9.595 -1.353 1.00 0.00 C ATOM 1604 CG1 ILE B 41 9.943 8.665 -1.430 1.00 0.00 C ATOM 1605 CG2 ILE B 41 12.433 8.853 -1.732 1.00 0.00 C ATOM 1606 CD1 ILE B 41 9.709 8.073 -2.803 1.00 0.00 C ATOM 0 H ILE B 41 10.568 8.481 1.009 1.00 0.00 H new ATOM 0 HA ILE B 41 12.249 10.723 0.130 1.00 0.00 H new ATOM 0 HB ILE B 41 11.010 10.405 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE B 41 10.072 7.854 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE B 41 9.055 9.220 -1.128 1.00 0.00 H new ATOM 0 HG21 ILE B 41 12.324 8.429 -2.730 1.00 0.00 H new ATOM 0 HG22 ILE B 41 13.275 9.546 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE B 41 12.614 8.052 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE B 41 8.831 7.427 -2.776 1.00 0.00 H new ATOM 0 HD12 ILE B 41 9.547 8.876 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE B 41 10.580 7.489 -3.101 1.00 0.00 H new ATOM 1618 N ASN B 42 10.378 12.428 -0.152 1.00 0.00 N ATOM 1619 CA ASN B 42 9.380 13.475 -0.012 1.00 0.00 C ATOM 1620 C ASN B 42 9.065 14.073 -1.376 1.00 0.00 C ATOM 1621 O ASN B 42 9.931 14.652 -2.032 1.00 0.00 O ATOM 1622 CB ASN B 42 9.888 14.566 0.941 1.00 0.00 C ATOM 1623 CG ASN B 42 8.808 15.534 1.425 1.00 0.00 C ATOM 1624 OD1 ASN B 42 8.898 16.056 2.536 1.00 0.00 O ATOM 1625 ND2 ASN B 42 7.794 15.790 0.613 1.00 0.00 N ATOM 0 H ASN B 42 11.243 12.728 -0.602 1.00 0.00 H new ATOM 0 HA ASN B 42 8.470 13.045 0.405 1.00 0.00 H new ATOM 0 HB2 ASN B 42 10.347 14.090 1.807 1.00 0.00 H new ATOM 0 HB3 ASN B 42 10.670 15.135 0.439 1.00 0.00 H new ATOM 0 HD21 ASN B 42 7.059 16.436 0.902 1.00 0.00 H new ATOM 0 HD22 ASN B 42 7.748 15.342 -0.302 1.00 0.00 H new ATOM 1632 N VAL B 43 7.826 13.915 -1.805 1.00 0.00 N ATOM 1633 CA VAL B 43 7.354 14.512 -3.043 1.00 0.00 C ATOM 1634 C VAL B 43 6.543 15.761 -2.746 1.00 0.00 C ATOM 1635 O VAL B 43 5.396 15.674 -2.313 1.00 0.00 O ATOM 1636 CB VAL B 43 6.497 13.517 -3.865 1.00 0.00 C ATOM 1637 CG1 VAL B 43 5.775 14.215 -5.009 1.00 0.00 C ATOM 1638 CG2 VAL B 43 7.360 12.392 -4.405 1.00 0.00 C ATOM 0 H VAL B 43 7.120 13.372 -1.308 1.00 0.00 H new ATOM 0 HA VAL B 43 8.229 14.777 -3.636 1.00 0.00 H new ATOM 0 HB VAL B 43 5.745 13.100 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL B 43 5.184 13.487 -5.564 1.00 0.00 H new ATOM 0 HG12 VAL B 43 5.118 14.986 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL B 43 6.506 14.672 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL B 43 6.741 11.703 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL B 43 8.136 12.806 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL B 43 7.823 11.858 -3.575 1.00 0.00 H new ATOM 1648 N SER B 44 7.162 16.912 -2.920 1.00 0.00 N ATOM 1649 CA SER B 44 6.461 18.174 -2.786 1.00 0.00 C ATOM 1650 C SER B 44 6.227 18.757 -4.171 1.00 0.00 C ATOM 1651 O SER B 44 7.111 19.389 -4.747 1.00 0.00 O ATOM 1652 CB SER B 44 7.269 19.153 -1.935 1.00 0.00 C ATOM 1653 OG SER B 44 7.899 18.493 -0.852 1.00 0.00 O ATOM 0 H SER B 44 8.151 17.000 -3.155 1.00 0.00 H new ATOM 0 HA SER B 44 5.506 18.003 -2.289 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.022 19.641 -2.554 1.00 0.00 H new ATOM 0 HB3 SER B 44 6.613 19.936 -1.555 1.00 0.00 H new ATOM 0 HG SER B 44 7.255 18.372 -0.123 1.00 0.00 H new ATOM 1659 N GLN B 45 5.052 18.505 -4.716 1.00 0.00 N ATOM 1660 CA GLN B 45 4.733 18.931 -6.067 1.00 0.00 C ATOM 1661 C GLN B 45 3.650 19.996 -6.050 1.00 0.00 C ATOM 1662 O GLN B 45 3.125 20.340 -4.994 1.00 0.00 O ATOM 1663 CB GLN B 45 4.280 17.729 -6.899 1.00 0.00 C ATOM 1664 CG GLN B 45 5.240 17.352 -8.018 1.00 0.00 C ATOM 1665 CD GLN B 45 6.659 17.124 -7.539 1.00 0.00 C ATOM 1666 OE1 GLN B 45 7.030 16.015 -7.165 1.00 0.00 O ATOM 1667 NE2 GLN B 45 7.474 18.165 -7.575 1.00 0.00 N ATOM 0 H GLN B 45 4.299 18.005 -4.242 1.00 0.00 H new ATOM 0 HA GLN B 45 5.628 19.359 -6.518 1.00 0.00 H new ATOM 0 HB2 GLN B 45 4.153 16.871 -6.239 1.00 0.00 H new ATOM 0 HB3 GLN B 45 3.303 17.947 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN B 45 4.879 16.447 -8.507 1.00 0.00 H new ATOM 0 HG3 GLN B 45 5.240 18.142 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN B 45 7.130 19.071 -7.892 1.00 0.00 H new ATOM 0 HE22 GLN B 45 8.447 18.061 -7.286 1.00 0.00 H new ATOM 1676 N SER B 46 3.320 20.520 -7.217 1.00 0.00 N ATOM 1677 CA SER B 46 2.257 21.498 -7.334 1.00 0.00 C ATOM 1678 C SER B 46 0.944 20.811 -7.691 1.00 0.00 C ATOM 1679 O SER B 46 0.940 19.773 -8.366 1.00 0.00 O ATOM 1680 CB SER B 46 2.626 22.547 -8.386 1.00 0.00 C ATOM 1681 OG SER B 46 3.105 21.932 -9.571 1.00 0.00 O ATOM 0 H SER B 46 3.775 20.283 -8.098 1.00 0.00 H new ATOM 0 HA SER B 46 2.128 22.000 -6.375 1.00 0.00 H new ATOM 0 HB2 SER B 46 1.754 23.159 -8.616 1.00 0.00 H new ATOM 0 HB3 SER B 46 3.388 23.216 -7.986 1.00 0.00 H new ATOM 0 HG SER B 46 3.333 22.622 -10.228 1.00 0.00 H new ATOM 1687 N GLY B 47 -0.160 21.372 -7.209 1.00 0.00 N ATOM 1688 CA GLY B 47 -1.472 20.829 -7.507 1.00 0.00 C ATOM 1689 C GLY B 47 -1.766 20.824 -8.993 1.00 0.00 C ATOM 1690 O GLY B 47 -2.092 21.861 -9.574 1.00 0.00 O ATOM 0 H GLY B 47 -0.168 22.200 -6.613 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -1.538 19.811 -7.122 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -2.232 21.415 -6.990 1.00 0.00 H new ATOM 1694 N GLY B 48 -1.638 19.662 -9.608 1.00 0.00 N ATOM 1695 CA GLY B 48 -1.860 19.550 -11.032 1.00 0.00 C ATOM 1696 C GLY B 48 -0.999 18.479 -11.661 1.00 0.00 C ATOM 1697 O GLY B 48 -1.423 17.809 -12.601 1.00 0.00 O ATOM 0 H GLY B 48 -1.383 18.790 -9.145 1.00 0.00 H new ATOM 0 HA2 GLY B 48 -2.910 19.325 -11.218 1.00 0.00 H new ATOM 0 HA3 GLY B 48 -1.650 20.508 -11.507 1.00 0.00 H new ATOM 1701 N GLN B 49 0.213 18.312 -11.140 1.00 0.00 N ATOM 1702 CA GLN B 49 1.116 17.283 -11.645 1.00 0.00 C ATOM 1703 C GLN B 49 0.577 15.906 -11.283 1.00 0.00 C ATOM 1704 O GLN B 49 0.579 14.987 -12.102 1.00 0.00 O ATOM 1705 CB GLN B 49 2.526 17.467 -11.081 1.00 0.00 C ATOM 1706 CG GLN B 49 3.105 18.852 -11.325 1.00 0.00 C ATOM 1707 CD GLN B 49 4.573 18.944 -10.959 1.00 0.00 C ATOM 1708 OE1 GLN B 49 5.322 17.976 -11.092 1.00 0.00 O ATOM 1709 NE2 GLN B 49 4.991 20.100 -10.470 1.00 0.00 N ATOM 0 H GLN B 49 0.590 18.871 -10.375 1.00 0.00 H new ATOM 0 HA GLN B 49 1.174 17.373 -12.730 1.00 0.00 H new ATOM 0 HB2 GLN B 49 2.507 17.274 -10.008 1.00 0.00 H new ATOM 0 HB3 GLN B 49 3.186 16.723 -11.527 1.00 0.00 H new ATOM 0 HG2 GLN B 49 2.979 19.114 -12.376 1.00 0.00 H new ATOM 0 HG3 GLN B 49 2.543 19.584 -10.744 1.00 0.00 H new ATOM 0 HE21 GLN B 49 4.340 20.879 -10.375 1.00 0.00 H new ATOM 0 HE22 GLN B 49 5.965 20.212 -10.188 1.00 0.00 H new ATOM 1718 N ILE B 50 0.103 15.776 -10.052 1.00 0.00 N ATOM 1719 CA ILE B 50 -0.546 14.555 -9.604 1.00 0.00 C ATOM 1720 C ILE B 50 -2.053 14.781 -9.526 1.00 0.00 C ATOM 1721 O ILE B 50 -2.535 15.504 -8.651 1.00 0.00 O ATOM 1722 CB ILE B 50 -0.026 14.077 -8.220 1.00 0.00 C ATOM 1723 CG1 ILE B 50 1.445 13.642 -8.294 1.00 0.00 C ATOM 1724 CG2 ILE B 50 -0.880 12.931 -7.688 1.00 0.00 C ATOM 1725 CD1 ILE B 50 2.435 14.787 -8.325 1.00 0.00 C ATOM 0 H ILE B 50 0.157 16.507 -9.343 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.310 13.776 -10.329 1.00 0.00 H new ATOM 0 HB ILE B 50 -0.099 14.921 -7.535 1.00 0.00 H new ATOM 0 HG12 ILE B 50 1.668 13.009 -7.435 1.00 0.00 H new ATOM 0 HG13 ILE B 50 1.586 13.031 -9.186 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -0.498 12.612 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -1.912 13.266 -7.579 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -0.842 12.094 -8.386 1.00 0.00 H new ATOM 0 HD11 ILE B 50 3.449 14.390 -8.377 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.244 15.410 -9.199 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.326 15.387 -7.421 1.00 0.00 H new ATOM 1737 N SER B 51 -2.784 14.192 -10.460 1.00 0.00 N ATOM 1738 CA SER B 51 -4.235 14.317 -10.485 1.00 0.00 C ATOM 1739 C SER B 51 -4.882 12.955 -10.261 1.00 0.00 C ATOM 1740 O SER B 51 -6.042 12.853 -9.860 1.00 0.00 O ATOM 1741 CB SER B 51 -4.687 14.904 -11.823 1.00 0.00 C ATOM 1742 OG SER B 51 -3.959 16.083 -12.133 1.00 0.00 O ATOM 0 H SER B 51 -2.397 13.622 -11.212 1.00 0.00 H new ATOM 0 HA SER B 51 -4.546 14.988 -9.684 1.00 0.00 H new ATOM 0 HB2 SER B 51 -4.546 14.167 -12.614 1.00 0.00 H new ATOM 0 HB3 SER B 51 -5.753 15.130 -11.784 1.00 0.00 H new ATOM 0 HG SER B 51 -4.264 16.439 -12.993 1.00 0.00 H new ATOM 1748 N SER B 52 -4.118 11.912 -10.529 1.00 0.00 N ATOM 1749 CA SER B 52 -4.580 10.551 -10.359 1.00 0.00 C ATOM 1750 C SER B 52 -3.627 9.798 -9.431 1.00 0.00 C ATOM 1751 O SER B 52 -2.438 10.121 -9.368 1.00 0.00 O ATOM 1752 CB SER B 52 -4.657 9.869 -11.734 1.00 0.00 C ATOM 1753 OG SER B 52 -5.164 8.548 -11.645 1.00 0.00 O ATOM 0 H SER B 52 -3.160 11.987 -10.871 1.00 0.00 H new ATOM 0 HA SER B 52 -5.573 10.547 -9.909 1.00 0.00 H new ATOM 0 HB2 SER B 52 -5.293 10.457 -12.395 1.00 0.00 H new ATOM 0 HB3 SER B 52 -3.664 9.847 -12.183 1.00 0.00 H new ATOM 0 HG SER B 52 -5.199 8.150 -12.540 1.00 0.00 H new ATOM 1759 N PRO B 53 -4.132 8.806 -8.675 1.00 0.00 N ATOM 1760 CA PRO B 53 -3.297 7.954 -7.819 1.00 0.00 C ATOM 1761 C PRO B 53 -2.136 7.323 -8.592 1.00 0.00 C ATOM 1762 O PRO B 53 -1.085 7.024 -8.021 1.00 0.00 O ATOM 1763 CB PRO B 53 -4.261 6.871 -7.310 1.00 0.00 C ATOM 1764 CG PRO B 53 -5.513 7.027 -8.112 1.00 0.00 C ATOM 1765 CD PRO B 53 -5.554 8.456 -8.565 1.00 0.00 C ATOM 0 HA PRO B 53 -2.832 8.524 -7.015 1.00 0.00 H new ATOM 0 HB2 PRO B 53 -3.835 5.876 -7.441 1.00 0.00 H new ATOM 0 HB3 PRO B 53 -4.461 6.995 -6.246 1.00 0.00 H new ATOM 0 HG2 PRO B 53 -5.514 6.349 -8.966 1.00 0.00 H new ATOM 0 HG3 PRO B 53 -6.390 6.785 -7.512 1.00 0.00 H new ATOM 0 HD2 PRO B 53 -6.071 8.563 -9.518 1.00 0.00 H new ATOM 0 HD3 PRO B 53 -6.072 9.092 -7.848 1.00 0.00 H new ATOM 1773 N SER B 54 -2.333 7.133 -9.894 1.00 0.00 N ATOM 1774 CA SER B 54 -1.280 6.631 -10.766 1.00 0.00 C ATOM 1775 C SER B 54 -0.101 7.601 -10.801 1.00 0.00 C ATOM 1776 O SER B 54 1.055 7.186 -10.732 1.00 0.00 O ATOM 1777 CB SER B 54 -1.825 6.424 -12.177 1.00 0.00 C ATOM 1778 OG SER B 54 -2.980 5.602 -12.163 1.00 0.00 O ATOM 0 H SER B 54 -3.217 7.321 -10.368 1.00 0.00 H new ATOM 0 HA SER B 54 -0.932 5.676 -10.372 1.00 0.00 H new ATOM 0 HB2 SER B 54 -2.067 7.389 -12.622 1.00 0.00 H new ATOM 0 HB3 SER B 54 -1.058 5.968 -12.803 1.00 0.00 H new ATOM 0 HG SER B 54 -3.310 5.486 -13.078 1.00 0.00 H new ATOM 1784 N ASP B 55 -0.405 8.899 -10.883 1.00 0.00 N ATOM 1785 CA ASP B 55 0.631 9.932 -10.905 1.00 0.00 C ATOM 1786 C ASP B 55 1.415 9.888 -9.608 1.00 0.00 C ATOM 1787 O ASP B 55 2.640 10.005 -9.600 1.00 0.00 O ATOM 1788 CB ASP B 55 0.037 11.339 -11.062 1.00 0.00 C ATOM 1789 CG ASP B 55 -0.887 11.489 -12.251 1.00 0.00 C ATOM 1790 OD1 ASP B 55 -0.571 10.965 -13.336 1.00 0.00 O ATOM 1791 OD2 ASP B 55 -1.944 12.136 -12.101 1.00 0.00 O ATOM 0 H ASP B 55 -1.358 9.258 -10.935 1.00 0.00 H new ATOM 0 HA ASP B 55 1.275 9.730 -11.761 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -0.511 11.594 -10.155 1.00 0.00 H new ATOM 0 HB3 ASP B 55 0.851 12.058 -11.155 1.00 0.00 H new ATOM 1796 N LEU B 56 0.682 9.718 -8.513 1.00 0.00 N ATOM 1797 CA LEU B 56 1.273 9.617 -7.186 1.00 0.00 C ATOM 1798 C LEU B 56 2.322 8.511 -7.142 1.00 0.00 C ATOM 1799 O LEU B 56 3.471 8.747 -6.768 1.00 0.00 O ATOM 1800 CB LEU B 56 0.177 9.348 -6.149 1.00 0.00 C ATOM 1801 CG LEU B 56 0.666 9.102 -4.719 1.00 0.00 C ATOM 1802 CD1 LEU B 56 1.417 10.311 -4.192 1.00 0.00 C ATOM 1803 CD2 LEU B 56 -0.507 8.762 -3.812 1.00 0.00 C ATOM 0 H LEU B 56 -0.335 9.647 -8.521 1.00 0.00 H new ATOM 0 HA LEU B 56 1.765 10.561 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -0.506 10.198 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -0.398 8.480 -6.472 1.00 0.00 H new ATOM 0 HG LEU B 56 1.353 8.256 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.755 10.114 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU B 56 2.279 10.510 -4.829 1.00 0.00 H new ATOM 0 HD13 LEU B 56 0.757 11.178 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -0.145 8.589 -2.798 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -1.216 9.590 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -1.002 7.863 -4.179 1.00 0.00 H new ATOM 1815 N ARG B 57 1.930 7.312 -7.552 1.00 0.00 N ATOM 1816 CA ARG B 57 2.832 6.170 -7.523 1.00 0.00 C ATOM 1817 C ARG B 57 3.949 6.327 -8.547 1.00 0.00 C ATOM 1818 O ARG B 57 5.062 5.856 -8.330 1.00 0.00 O ATOM 1819 CB ARG B 57 2.069 4.868 -7.769 1.00 0.00 C ATOM 1820 CG ARG B 57 1.030 4.569 -6.702 1.00 0.00 C ATOM 1821 CD ARG B 57 0.373 3.219 -6.928 1.00 0.00 C ATOM 1822 NE ARG B 57 -0.253 3.128 -8.245 1.00 0.00 N ATOM 1823 CZ ARG B 57 -1.524 2.797 -8.444 1.00 0.00 C ATOM 1824 NH1 ARG B 57 -2.322 2.528 -7.417 1.00 0.00 N ATOM 1825 NH2 ARG B 57 -2.005 2.730 -9.677 1.00 0.00 N ATOM 0 H ARG B 57 0.996 7.106 -7.907 1.00 0.00 H new ATOM 0 HA ARG B 57 3.281 6.128 -6.530 1.00 0.00 H new ATOM 0 HB2 ARG B 57 1.577 4.921 -8.740 1.00 0.00 H new ATOM 0 HB3 ARG B 57 2.779 4.042 -7.816 1.00 0.00 H new ATOM 0 HG2 ARG B 57 1.501 4.586 -5.719 1.00 0.00 H new ATOM 0 HG3 ARG B 57 0.270 5.350 -6.704 1.00 0.00 H new ATOM 0 HD2 ARG B 57 1.119 2.431 -6.826 1.00 0.00 H new ATOM 0 HD3 ARG B 57 -0.378 3.048 -6.157 1.00 0.00 H new ATOM 0 HE ARG B 57 0.322 3.331 -9.063 1.00 0.00 H new ATOM 0 HH11 ARG B 57 -1.960 2.575 -6.464 1.00 0.00 H new ATOM 0 HH12 ARG B 57 -3.296 2.275 -7.581 1.00 0.00 H new ATOM 0 HH21 ARG B 57 -1.399 2.932 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG B 57 -2.981 2.476 -9.831 1.00 0.00 H new ATOM 1839 N GLU B 58 3.651 7.002 -9.650 1.00 0.00 N ATOM 1840 CA GLU B 58 4.638 7.246 -10.696 1.00 0.00 C ATOM 1841 C GLU B 58 5.817 8.046 -10.141 1.00 0.00 C ATOM 1842 O GLU B 58 6.977 7.684 -10.340 1.00 0.00 O ATOM 1843 CB GLU B 58 3.995 7.999 -11.866 1.00 0.00 C ATOM 1844 CG GLU B 58 4.873 8.076 -13.106 1.00 0.00 C ATOM 1845 CD GLU B 58 5.098 6.719 -13.745 1.00 0.00 C ATOM 1846 OE1 GLU B 58 6.026 6.003 -13.328 1.00 0.00 O ATOM 1847 OE2 GLU B 58 4.348 6.364 -14.677 1.00 0.00 O ATOM 0 H GLU B 58 2.729 7.392 -9.844 1.00 0.00 H new ATOM 0 HA GLU B 58 5.007 6.285 -11.055 1.00 0.00 H new ATOM 0 HB2 GLU B 58 3.056 7.511 -12.127 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.749 9.011 -11.543 1.00 0.00 H new ATOM 0 HG2 GLU B 58 4.411 8.744 -13.833 1.00 0.00 H new ATOM 0 HG3 GLU B 58 5.836 8.512 -12.839 1.00 0.00 H new ATOM 1854 N LYS B 59 5.512 9.123 -9.421 1.00 0.00 N ATOM 1855 CA LYS B 59 6.549 9.965 -8.834 1.00 0.00 C ATOM 1856 C LYS B 59 7.307 9.197 -7.758 1.00 0.00 C ATOM 1857 O LYS B 59 8.532 9.275 -7.666 1.00 0.00 O ATOM 1858 CB LYS B 59 5.937 11.230 -8.220 1.00 0.00 C ATOM 1859 CG LYS B 59 5.029 12.006 -9.162 1.00 0.00 C ATOM 1860 CD LYS B 59 5.788 12.613 -10.332 1.00 0.00 C ATOM 1861 CE LYS B 59 6.655 13.783 -9.894 1.00 0.00 C ATOM 1862 NZ LYS B 59 7.262 14.489 -11.052 1.00 0.00 N ATOM 0 H LYS B 59 4.559 9.432 -9.231 1.00 0.00 H new ATOM 0 HA LYS B 59 7.239 10.254 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS B 59 5.368 10.951 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS B 59 6.742 11.885 -7.888 1.00 0.00 H new ATOM 0 HG2 LYS B 59 4.252 11.342 -9.542 1.00 0.00 H new ATOM 0 HG3 LYS B 59 4.528 12.799 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS B 59 6.414 11.850 -10.795 1.00 0.00 H new ATOM 0 HD3 LYS B 59 5.080 12.948 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS B 59 6.053 14.484 -9.317 1.00 0.00 H new ATOM 0 HE3 LYS B 59 7.444 13.423 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 7.845 15.279 -10.710 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 7.857 13.827 -11.589 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 6.509 14.856 -11.669 1.00 0.00 H new ATOM 1876 N LEU B 60 6.562 8.448 -6.953 1.00 0.00 N ATOM 1877 CA LEU B 60 7.140 7.708 -5.838 1.00 0.00 C ATOM 1878 C LEU B 60 8.048 6.584 -6.321 1.00 0.00 C ATOM 1879 O LEU B 60 9.182 6.466 -5.862 1.00 0.00 O ATOM 1880 CB LEU B 60 6.036 7.140 -4.946 1.00 0.00 C ATOM 1881 CG LEU B 60 5.162 8.184 -4.250 1.00 0.00 C ATOM 1882 CD1 LEU B 60 4.060 7.506 -3.457 1.00 0.00 C ATOM 1883 CD2 LEU B 60 6.003 9.068 -3.344 1.00 0.00 C ATOM 0 H LEU B 60 5.553 8.337 -7.053 1.00 0.00 H new ATOM 0 HA LEU B 60 7.746 8.406 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU B 60 5.396 6.498 -5.551 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.494 6.507 -4.186 1.00 0.00 H new ATOM 0 HG LEU B 60 4.704 8.814 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.446 8.262 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU B 60 3.439 6.914 -4.130 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.502 6.854 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU B 60 5.363 9.804 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU B 60 6.490 8.454 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU B 60 6.760 9.581 -3.937 1.00 0.00 H new ATOM 1895 N SER B 61 7.556 5.768 -7.245 1.00 0.00 N ATOM 1896 CA SER B 61 8.321 4.629 -7.741 1.00 0.00 C ATOM 1897 C SER B 61 9.618 5.085 -8.403 1.00 0.00 C ATOM 1898 O SER B 61 10.657 4.445 -8.248 1.00 0.00 O ATOM 1899 CB SER B 61 7.481 3.797 -8.715 1.00 0.00 C ATOM 1900 OG SER B 61 6.937 4.601 -9.747 1.00 0.00 O ATOM 0 H SER B 61 6.633 5.873 -7.666 1.00 0.00 H new ATOM 0 HA SER B 61 8.581 4.002 -6.888 1.00 0.00 H new ATOM 0 HB2 SER B 61 8.098 3.012 -9.151 1.00 0.00 H new ATOM 0 HB3 SER B 61 6.674 3.304 -8.173 1.00 0.00 H new ATOM 0 HG SER B 61 6.197 5.135 -9.390 1.00 0.00 H new ATOM 1906 N GLU B 62 9.556 6.203 -9.121 1.00 0.00 N ATOM 1907 CA GLU B 62 10.736 6.771 -9.759 1.00 0.00 C ATOM 1908 C GLU B 62 11.794 7.131 -8.718 1.00 0.00 C ATOM 1909 O GLU B 62 12.943 6.694 -8.804 1.00 0.00 O ATOM 1910 CB GLU B 62 10.354 8.016 -10.559 1.00 0.00 C ATOM 1911 CG GLU B 62 11.537 8.690 -11.231 1.00 0.00 C ATOM 1912 CD GLU B 62 11.142 9.939 -11.983 1.00 0.00 C ATOM 1913 OE1 GLU B 62 10.608 9.816 -13.104 1.00 0.00 O ATOM 1914 OE2 GLU B 62 11.379 11.049 -11.469 1.00 0.00 O ATOM 0 H GLU B 62 8.698 6.733 -9.275 1.00 0.00 H new ATOM 0 HA GLU B 62 11.152 6.023 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU B 62 9.623 7.740 -11.319 1.00 0.00 H new ATOM 0 HB3 GLU B 62 9.868 8.730 -9.894 1.00 0.00 H new ATOM 0 HG2 GLU B 62 12.282 8.944 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU B 62 12.007 7.988 -11.920 1.00 0.00 H new ATOM 1921 N LEU B 63 11.392 7.917 -7.728 1.00 0.00 N ATOM 1922 CA LEU B 63 12.305 8.369 -6.691 1.00 0.00 C ATOM 1923 C LEU B 63 12.762 7.200 -5.823 1.00 0.00 C ATOM 1924 O LEU B 63 13.890 7.184 -5.334 1.00 0.00 O ATOM 1925 CB LEU B 63 11.641 9.451 -5.839 1.00 0.00 C ATOM 1926 CG LEU B 63 11.239 10.713 -6.609 1.00 0.00 C ATOM 1927 CD1 LEU B 63 10.524 11.694 -5.698 1.00 0.00 C ATOM 1928 CD2 LEU B 63 12.459 11.367 -7.240 1.00 0.00 C ATOM 0 H LEU B 63 10.435 8.255 -7.623 1.00 0.00 H new ATOM 0 HA LEU B 63 13.187 8.796 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU B 63 10.752 9.030 -5.369 1.00 0.00 H new ATOM 0 HB3 LEU B 63 12.323 9.733 -5.037 1.00 0.00 H new ATOM 0 HG LEU B 63 10.553 10.421 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU B 63 10.248 12.583 -6.266 1.00 0.00 H new ATOM 0 HD12 LEU B 63 9.625 11.227 -5.294 1.00 0.00 H new ATOM 0 HD13 LEU B 63 11.185 11.978 -4.879 1.00 0.00 H new ATOM 0 HD21 LEU B 63 12.153 12.262 -7.782 1.00 0.00 H new ATOM 0 HD22 LEU B 63 13.169 11.641 -6.460 1.00 0.00 H new ATOM 0 HD23 LEU B 63 12.930 10.668 -7.931 1.00 0.00 H new ATOM 1940 N ALA B 64 11.887 6.217 -5.649 1.00 0.00 N ATOM 1941 CA ALA B 64 12.234 5.007 -4.915 1.00 0.00 C ATOM 1942 C ALA B 64 13.294 4.214 -5.669 1.00 0.00 C ATOM 1943 O ALA B 64 14.240 3.700 -5.072 1.00 0.00 O ATOM 1944 CB ALA B 64 10.998 4.150 -4.678 1.00 0.00 C ATOM 0 H ALA B 64 10.932 6.234 -6.006 1.00 0.00 H new ATOM 0 HA ALA B 64 12.641 5.298 -3.946 1.00 0.00 H new ATOM 0 HB1 ALA B 64 11.278 3.251 -4.129 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.268 4.716 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.562 3.868 -5.636 1.00 0.00 H new ATOM 1950 N ASP B 65 13.139 4.133 -6.984 1.00 0.00 N ATOM 1951 CA ASP B 65 14.102 3.434 -7.829 1.00 0.00 C ATOM 1952 C ASP B 65 15.436 4.169 -7.838 1.00 0.00 C ATOM 1953 O ASP B 65 16.500 3.549 -7.875 1.00 0.00 O ATOM 1954 CB ASP B 65 13.564 3.294 -9.256 1.00 0.00 C ATOM 1955 CG ASP B 65 14.532 2.574 -10.175 1.00 0.00 C ATOM 1956 OD1 ASP B 65 14.798 1.376 -9.946 1.00 0.00 O ATOM 1957 OD2 ASP B 65 15.022 3.199 -11.140 1.00 0.00 O ATOM 0 H ASP B 65 12.354 4.543 -7.491 1.00 0.00 H new ATOM 0 HA ASP B 65 14.257 2.437 -7.418 1.00 0.00 H new ATOM 0 HB2 ASP B 65 12.619 2.751 -9.233 1.00 0.00 H new ATOM 0 HB3 ASP B 65 13.353 4.284 -9.660 1.00 0.00 H new ATOM 1962 N ALA B 66 15.372 5.494 -7.782 1.00 0.00 N ATOM 1963 CA ALA B 66 16.570 6.317 -7.699 1.00 0.00 C ATOM 1964 C ALA B 66 17.326 6.043 -6.400 1.00 0.00 C ATOM 1965 O ALA B 66 18.557 6.010 -6.381 1.00 0.00 O ATOM 1966 CB ALA B 66 16.212 7.791 -7.806 1.00 0.00 C ATOM 0 H ALA B 66 14.499 6.022 -7.793 1.00 0.00 H new ATOM 0 HA ALA B 66 17.221 6.057 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA B 66 17.119 8.391 -7.742 1.00 0.00 H new ATOM 0 HB2 ALA B 66 15.720 7.978 -8.761 1.00 0.00 H new ATOM 0 HB3 ALA B 66 15.539 8.062 -6.992 1.00 0.00 H new ATOM 1972 N LYS B 67 16.581 5.840 -5.317 1.00 0.00 N ATOM 1973 CA LYS B 67 17.183 5.492 -4.031 1.00 0.00 C ATOM 1974 C LYS B 67 17.695 4.058 -4.060 1.00 0.00 C ATOM 1975 O LYS B 67 18.658 3.711 -3.379 1.00 0.00 O ATOM 1976 CB LYS B 67 16.169 5.642 -2.891 1.00 0.00 C ATOM 1977 CG LYS B 67 15.572 7.034 -2.759 1.00 0.00 C ATOM 1978 CD LYS B 67 16.636 8.092 -2.525 1.00 0.00 C ATOM 1979 CE LYS B 67 16.011 9.452 -2.260 1.00 0.00 C ATOM 1980 NZ LYS B 67 17.031 10.523 -2.132 1.00 0.00 N ATOM 0 H LYS B 67 15.563 5.910 -5.303 1.00 0.00 H new ATOM 0 HA LYS B 67 18.014 6.175 -3.856 1.00 0.00 H new ATOM 0 HB2 LYS B 67 15.361 4.927 -3.044 1.00 0.00 H new ATOM 0 HB3 LYS B 67 16.655 5.378 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS B 67 15.014 7.276 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS B 67 14.861 7.046 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS B 67 17.259 7.804 -1.678 1.00 0.00 H new ATOM 0 HD3 LYS B 67 17.290 8.153 -3.395 1.00 0.00 H new ATOM 0 HE2 LYS B 67 15.327 9.700 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS B 67 15.419 9.406 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 16.559 11.432 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 17.669 10.302 -1.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 17.580 10.587 -3.013 1.00 0.00 H new ATOM 1994 N GLY B 68 17.039 3.232 -4.860 1.00 0.00 N ATOM 1995 CA GLY B 68 17.410 1.839 -4.959 1.00 0.00 C ATOM 1996 C GLY B 68 16.477 0.948 -4.168 1.00 0.00 C ATOM 1997 O GLY B 68 16.921 0.050 -3.455 1.00 0.00 O ATOM 0 H GLY B 68 16.250 3.506 -5.446 1.00 0.00 H new ATOM 0 HA2 GLY B 68 17.402 1.535 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY B 68 18.430 1.709 -4.597 1.00 0.00 H new ATOM 2001 N GLY B 69 15.184 1.208 -4.280 1.00 0.00 N ATOM 2002 CA GLY B 69 14.204 0.407 -3.579 1.00 0.00 C ATOM 2003 C GLY B 69 13.187 -0.206 -4.520 1.00 0.00 C ATOM 2004 O GLY B 69 12.992 0.281 -5.635 1.00 0.00 O ATOM 0 H GLY B 69 14.795 1.962 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY B 69 14.711 -0.385 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY B 69 13.690 1.026 -2.844 1.00 0.00 H new ATOM 2008 N LYS B 70 12.543 -1.274 -4.069 1.00 0.00 N ATOM 2009 CA LYS B 70 11.541 -1.969 -4.871 1.00 0.00 C ATOM 2010 C LYS B 70 10.179 -1.897 -4.191 1.00 0.00 C ATOM 2011 O LYS B 70 9.137 -2.046 -4.830 1.00 0.00 O ATOM 2012 CB LYS B 70 11.946 -3.430 -5.079 1.00 0.00 C ATOM 2013 CG LYS B 70 13.277 -3.590 -5.792 1.00 0.00 C ATOM 2014 CD LYS B 70 13.633 -5.050 -5.999 1.00 0.00 C ATOM 2015 CE LYS B 70 14.979 -5.195 -6.689 1.00 0.00 C ATOM 2016 NZ LYS B 70 14.977 -4.598 -8.052 1.00 0.00 N ATOM 0 H LYS B 70 12.697 -1.681 -3.147 1.00 0.00 H new ATOM 0 HA LYS B 70 11.476 -1.481 -5.844 1.00 0.00 H new ATOM 0 HB2 LYS B 70 11.999 -3.926 -4.110 1.00 0.00 H new ATOM 0 HB3 LYS B 70 11.171 -3.936 -5.654 1.00 0.00 H new ATOM 0 HG2 LYS B 70 13.235 -3.086 -6.757 1.00 0.00 H new ATOM 0 HG3 LYS B 70 14.061 -3.103 -5.212 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.658 -5.561 -5.036 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.861 -5.534 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS B 70 15.749 -4.715 -6.085 1.00 0.00 H new ATOM 0 HE3 LYS B 70 15.239 -6.251 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 15.835 -4.893 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 14.137 -4.923 -8.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 14.958 -3.561 -7.977 1.00 0.00 H new ATOM 2030 N TYR B 71 10.203 -1.664 -2.888 1.00 0.00 N ATOM 2031 CA TYR B 71 8.988 -1.564 -2.098 1.00 0.00 C ATOM 2032 C TYR B 71 8.866 -0.151 -1.549 1.00 0.00 C ATOM 2033 O TYR B 71 9.876 0.494 -1.266 1.00 0.00 O ATOM 2034 CB TYR B 71 9.018 -2.564 -0.933 1.00 0.00 C ATOM 2035 CG TYR B 71 9.371 -3.983 -1.332 1.00 0.00 C ATOM 2036 CD1 TYR B 71 10.698 -4.391 -1.402 1.00 0.00 C ATOM 2037 CD2 TYR B 71 8.385 -4.915 -1.630 1.00 0.00 C ATOM 2038 CE1 TYR B 71 11.030 -5.683 -1.761 1.00 0.00 C ATOM 2039 CE2 TYR B 71 8.711 -6.212 -1.988 1.00 0.00 C ATOM 2040 CZ TYR B 71 10.036 -6.590 -2.051 1.00 0.00 C ATOM 2041 OH TYR B 71 10.369 -7.879 -2.410 1.00 0.00 O ATOM 0 H TYR B 71 11.061 -1.540 -2.351 1.00 0.00 H new ATOM 0 HA TYR B 71 8.133 -1.795 -2.733 1.00 0.00 H new ATOM 0 HB2 TYR B 71 9.739 -2.218 -0.192 1.00 0.00 H new ATOM 0 HB3 TYR B 71 8.041 -2.568 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR B 71 11.483 -3.686 -1.172 1.00 0.00 H new ATOM 0 HD2 TYR B 71 7.346 -4.623 -1.582 1.00 0.00 H new ATOM 0 HE1 TYR B 71 12.067 -5.981 -1.814 1.00 0.00 H new ATOM 0 HE2 TYR B 71 7.932 -6.924 -2.217 1.00 0.00 H new ATOM 0 HH TYR B 71 11.219 -8.126 -1.990 1.00 0.00 H new ATOM 2051 N TYR B 72 7.647 0.339 -1.412 1.00 0.00 N ATOM 2052 CA TYR B 72 7.431 1.653 -0.831 1.00 0.00 C ATOM 2053 C TYR B 72 6.195 1.658 0.059 1.00 0.00 C ATOM 2054 O TYR B 72 5.279 0.856 -0.121 1.00 0.00 O ATOM 2055 CB TYR B 72 7.329 2.737 -1.917 1.00 0.00 C ATOM 2056 CG TYR B 72 6.223 2.527 -2.930 1.00 0.00 C ATOM 2057 CD1 TYR B 72 6.435 1.760 -4.068 1.00 0.00 C ATOM 2058 CD2 TYR B 72 4.974 3.113 -2.759 1.00 0.00 C ATOM 2059 CE1 TYR B 72 5.435 1.580 -5.003 1.00 0.00 C ATOM 2060 CE2 TYR B 72 3.969 2.933 -3.688 1.00 0.00 C ATOM 2061 CZ TYR B 72 4.206 2.167 -4.809 1.00 0.00 C ATOM 2062 OH TYR B 72 3.209 1.988 -5.740 1.00 0.00 O ATOM 0 H TYR B 72 6.796 -0.149 -1.693 1.00 0.00 H new ATOM 0 HA TYR B 72 8.297 1.886 -0.211 1.00 0.00 H new ATOM 0 HB2 TYR B 72 7.179 3.702 -1.433 1.00 0.00 H new ATOM 0 HB3 TYR B 72 8.280 2.790 -2.446 1.00 0.00 H new ATOM 0 HD1 TYR B 72 7.398 1.297 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR B 72 4.787 3.719 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR B 72 5.617 0.981 -5.883 1.00 0.00 H new ATOM 0 HE2 TYR B 72 3.002 3.390 -3.537 1.00 0.00 H new ATOM 0 HH TYR B 72 2.439 1.555 -5.316 1.00 0.00 H new ATOM 2072 N HIS B 73 6.192 2.557 1.027 1.00 0.00 N ATOM 2073 CA HIS B 73 5.089 2.683 1.968 1.00 0.00 C ATOM 2074 C HIS B 73 4.725 4.151 2.149 1.00 0.00 C ATOM 2075 O HIS B 73 5.502 4.922 2.706 1.00 0.00 O ATOM 2076 CB HIS B 73 5.480 2.054 3.314 1.00 0.00 C ATOM 2077 CG HIS B 73 4.459 2.215 4.404 1.00 0.00 C ATOM 2078 ND1 HIS B 73 4.749 2.800 5.614 1.00 0.00 N ATOM 2079 CD2 HIS B 73 3.160 1.840 4.475 1.00 0.00 C ATOM 2080 CE1 HIS B 73 3.679 2.780 6.382 1.00 0.00 C ATOM 2081 NE2 HIS B 73 2.695 2.202 5.718 1.00 0.00 N ATOM 0 H HIS B 73 6.951 3.220 1.184 1.00 0.00 H new ATOM 0 HA HIS B 73 4.219 2.157 1.576 1.00 0.00 H new ATOM 0 HB2 HIS B 73 5.664 0.990 3.162 1.00 0.00 H new ATOM 0 HB3 HIS B 73 6.419 2.496 3.647 1.00 0.00 H new ATOM 0 HD1 HIS B 73 5.654 3.190 5.877 1.00 0.00 H new ATOM 0 HD2 HIS B 73 2.593 1.347 3.699 1.00 0.00 H new ATOM 0 HE1 HIS B 73 3.617 3.171 7.387 1.00 0.00 H new ATOM 2090 N ILE B 74 3.557 4.535 1.654 1.00 0.00 N ATOM 2091 CA ILE B 74 3.092 5.910 1.781 1.00 0.00 C ATOM 2092 C ILE B 74 2.628 6.181 3.206 1.00 0.00 C ATOM 2093 O ILE B 74 1.790 5.454 3.742 1.00 0.00 O ATOM 2094 CB ILE B 74 1.936 6.208 0.800 1.00 0.00 C ATOM 2095 CG1 ILE B 74 2.370 5.899 -0.636 1.00 0.00 C ATOM 2096 CG2 ILE B 74 1.489 7.660 0.924 1.00 0.00 C ATOM 2097 CD1 ILE B 74 1.281 6.122 -1.664 1.00 0.00 C ATOM 0 H ILE B 74 2.914 3.915 1.161 1.00 0.00 H new ATOM 0 HA ILE B 74 3.929 6.564 1.537 1.00 0.00 H new ATOM 0 HB ILE B 74 1.090 5.569 1.054 1.00 0.00 H new ATOM 0 HG12 ILE B 74 3.228 6.522 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE B 74 2.702 4.862 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.674 7.851 0.225 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.147 7.850 1.941 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.326 8.319 0.694 1.00 0.00 H new ATOM 0 HD11 ILE B 74 1.663 5.882 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE B 74 0.430 5.479 -1.438 1.00 0.00 H new ATOM 0 HD13 ILE B 74 0.965 7.165 -1.639 1.00 0.00 H new ATOM 2109 N ILE B 75 3.192 7.209 3.825 1.00 0.00 N ATOM 2110 CA ILE B 75 2.834 7.561 5.191 1.00 0.00 C ATOM 2111 C ILE B 75 2.111 8.902 5.239 1.00 0.00 C ATOM 2112 O ILE B 75 1.521 9.266 6.257 1.00 0.00 O ATOM 2113 CB ILE B 75 4.073 7.613 6.115 1.00 0.00 C ATOM 2114 CG1 ILE B 75 5.077 8.660 5.620 1.00 0.00 C ATOM 2115 CG2 ILE B 75 4.728 6.242 6.196 1.00 0.00 C ATOM 2116 CD1 ILE B 75 6.288 8.811 6.516 1.00 0.00 C ATOM 0 H ILE B 75 3.898 7.813 3.403 1.00 0.00 H new ATOM 0 HA ILE B 75 2.166 6.778 5.552 1.00 0.00 H new ATOM 0 HB ILE B 75 3.746 7.903 7.114 1.00 0.00 H new ATOM 0 HG12 ILE B 75 5.409 8.388 4.618 1.00 0.00 H new ATOM 0 HG13 ILE B 75 4.574 9.623 5.538 1.00 0.00 H new ATOM 0 HG21 ILE B 75 5.599 6.293 6.850 1.00 0.00 H new ATOM 0 HG22 ILE B 75 4.015 5.521 6.597 1.00 0.00 H new ATOM 0 HG23 ILE B 75 5.040 5.928 5.200 1.00 0.00 H new ATOM 0 HD11 ILE B 75 6.954 9.569 6.103 1.00 0.00 H new ATOM 0 HD12 ILE B 75 5.968 9.114 7.513 1.00 0.00 H new ATOM 0 HD13 ILE B 75 6.816 7.859 6.578 1.00 0.00 H new ATOM 2128 N ALA B 76 2.161 9.637 4.133 1.00 0.00 N ATOM 2129 CA ALA B 76 1.515 10.937 4.056 1.00 0.00 C ATOM 2130 C ALA B 76 1.215 11.313 2.612 1.00 0.00 C ATOM 2131 O ALA B 76 2.110 11.337 1.772 1.00 0.00 O ATOM 2132 CB ALA B 76 2.388 12.003 4.705 1.00 0.00 C ATOM 0 H ALA B 76 2.642 9.353 3.280 1.00 0.00 H new ATOM 0 HA ALA B 76 0.570 10.876 4.597 1.00 0.00 H new ATOM 0 HB1 ALA B 76 1.890 12.971 4.639 1.00 0.00 H new ATOM 0 HB2 ALA B 76 2.553 11.750 5.752 1.00 0.00 H new ATOM 0 HB3 ALA B 76 3.347 12.052 4.189 1.00 0.00 H new ATOM 2138 N ALA B 77 -0.048 11.592 2.334 1.00 0.00 N ATOM 2139 CA ALA B 77 -0.465 12.067 1.021 1.00 0.00 C ATOM 2140 C ALA B 77 -1.391 13.260 1.193 1.00 0.00 C ATOM 2141 O ALA B 77 -2.602 13.175 0.962 1.00 0.00 O ATOM 2142 CB ALA B 77 -1.143 10.957 0.229 1.00 0.00 C ATOM 0 H ALA B 77 -0.810 11.497 3.006 1.00 0.00 H new ATOM 0 HA ALA B 77 0.414 12.376 0.456 1.00 0.00 H new ATOM 0 HB1 ALA B 77 -1.444 11.338 -0.747 1.00 0.00 H new ATOM 0 HB2 ALA B 77 -0.448 10.128 0.096 1.00 0.00 H new ATOM 0 HB3 ALA B 77 -2.023 10.609 0.770 1.00 0.00 H new ATOM 2148 N ARG B 78 -0.814 14.370 1.611 1.00 0.00 N ATOM 2149 CA ARG B 78 -1.589 15.522 2.032 1.00 0.00 C ATOM 2150 C ARG B 78 -1.557 16.630 0.993 1.00 0.00 C ATOM 2151 O ARG B 78 -0.566 16.820 0.290 1.00 0.00 O ATOM 2152 CB ARG B 78 -1.073 16.035 3.378 1.00 0.00 C ATOM 2153 CG ARG B 78 0.419 16.308 3.402 1.00 0.00 C ATOM 2154 CD ARG B 78 0.894 16.671 4.797 1.00 0.00 C ATOM 2155 NE ARG B 78 0.564 15.634 5.775 1.00 0.00 N ATOM 2156 CZ ARG B 78 1.458 15.038 6.565 1.00 0.00 C ATOM 2157 NH1 ARG B 78 2.752 15.332 6.461 1.00 0.00 N ATOM 2158 NH2 ARG B 78 1.057 14.130 7.442 1.00 0.00 N ATOM 0 H ARG B 78 0.196 14.499 1.668 1.00 0.00 H new ATOM 0 HA ARG B 78 -2.627 15.207 2.142 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -1.604 16.952 3.634 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -1.311 15.303 4.150 1.00 0.00 H new ATOM 0 HG2 ARG B 78 0.957 15.428 3.051 1.00 0.00 H new ATOM 0 HG3 ARG B 78 0.653 17.120 2.714 1.00 0.00 H new ATOM 0 HD2 ARG B 78 1.973 16.827 4.784 1.00 0.00 H new ATOM 0 HD3 ARG B 78 0.439 17.614 5.101 1.00 0.00 H new ATOM 0 HE ARG B 78 -0.412 15.349 5.858 1.00 0.00 H new ATOM 0 HH11 ARG B 78 3.066 16.017 5.774 1.00 0.00 H new ATOM 0 HH12 ARG B 78 3.430 14.872 7.069 1.00 0.00 H new ATOM 0 HH21 ARG B 78 0.068 13.889 7.511 1.00 0.00 H new ATOM 0 HH22 ARG B 78 1.737 13.671 8.048 1.00 0.00 H new ATOM 2172 N GLU B 79 -2.654 17.359 0.908 1.00 0.00 N ATOM 2173 CA GLU B 79 -2.768 18.461 -0.027 1.00 0.00 C ATOM 2174 C GLU B 79 -2.632 19.776 0.729 1.00 0.00 C ATOM 2175 O GLU B 79 -3.598 20.283 1.307 1.00 0.00 O ATOM 2176 CB GLU B 79 -4.106 18.390 -0.763 1.00 0.00 C ATOM 2177 CG GLU B 79 -4.251 19.404 -1.885 1.00 0.00 C ATOM 2178 CD GLU B 79 -5.607 19.323 -2.554 1.00 0.00 C ATOM 2179 OE1 GLU B 79 -6.541 20.009 -2.091 1.00 0.00 O ATOM 2180 OE2 GLU B 79 -5.746 18.566 -3.535 1.00 0.00 O ATOM 0 H GLU B 79 -3.484 17.206 1.480 1.00 0.00 H new ATOM 0 HA GLU B 79 -1.972 18.397 -0.769 1.00 0.00 H new ATOM 0 HB2 GLU B 79 -4.229 17.388 -1.175 1.00 0.00 H new ATOM 0 HB3 GLU B 79 -4.912 18.541 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU B 79 -4.103 20.408 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU B 79 -3.470 19.237 -2.627 1.00 0.00 H new ATOM 2187 N HIS B 80 -1.421 20.307 0.743 1.00 0.00 N ATOM 2188 CA HIS B 80 -1.108 21.493 1.523 1.00 0.00 C ATOM 2189 C HIS B 80 -1.250 22.741 0.661 1.00 0.00 C ATOM 2190 O HIS B 80 -0.259 23.297 0.178 1.00 0.00 O ATOM 2191 CB HIS B 80 0.314 21.386 2.089 1.00 0.00 C ATOM 2192 CG HIS B 80 0.635 22.414 3.128 1.00 0.00 C ATOM 2193 ND1 HIS B 80 0.436 22.201 4.471 1.00 0.00 N ATOM 2194 CD2 HIS B 80 1.155 23.660 3.019 1.00 0.00 C ATOM 2195 CE1 HIS B 80 0.816 23.268 5.146 1.00 0.00 C ATOM 2196 NE2 HIS B 80 1.257 24.167 4.289 1.00 0.00 N ATOM 0 H HIS B 80 -0.632 19.931 0.218 1.00 0.00 H new ATOM 0 HA HIS B 80 -1.809 21.568 2.354 1.00 0.00 H new ATOM 0 HB2 HIS B 80 0.448 20.394 2.520 1.00 0.00 H new ATOM 0 HB3 HIS B 80 1.028 21.477 1.270 1.00 0.00 H new ATOM 0 HD2 HIS B 80 1.436 24.160 2.104 1.00 0.00 H new ATOM 0 HE1 HIS B 80 0.773 23.385 6.219 1.00 0.00 H new ATOM 0 HE2 HIS B 80 1.616 25.090 4.531 1.00 0.00 H new ATOM 2205 N GLY B 81 -2.491 23.144 0.432 1.00 0.00 N ATOM 2206 CA GLY B 81 -2.746 24.313 -0.381 1.00 0.00 C ATOM 2207 C GLY B 81 -2.522 24.023 -1.848 1.00 0.00 C ATOM 2208 O GLY B 81 -3.160 23.133 -2.411 1.00 0.00 O ATOM 0 H GLY B 81 -3.325 22.682 0.795 1.00 0.00 H new ATOM 0 HA2 GLY B 81 -3.772 24.649 -0.227 1.00 0.00 H new ATOM 0 HA3 GLY B 81 -2.093 25.127 -0.066 1.00 0.00 H new ATOM 2212 N PRO B 82 -1.610 24.760 -2.494 1.00 0.00 N ATOM 2213 CA PRO B 82 -1.237 24.517 -3.883 1.00 0.00 C ATOM 2214 C PRO B 82 -0.108 23.493 -4.005 1.00 0.00 C ATOM 2215 O PRO B 82 0.339 23.173 -5.107 1.00 0.00 O ATOM 2216 CB PRO B 82 -0.763 25.892 -4.337 1.00 0.00 C ATOM 2217 CG PRO B 82 -0.146 26.491 -3.117 1.00 0.00 C ATOM 2218 CD PRO B 82 -0.887 25.917 -1.933 1.00 0.00 C ATOM 0 HA PRO B 82 -2.055 24.106 -4.475 1.00 0.00 H new ATOM 0 HB2 PRO B 82 -0.042 25.815 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO B 82 -1.592 26.498 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO B 82 0.916 26.252 -3.063 1.00 0.00 H new ATOM 0 HG3 PRO B 82 -0.227 27.578 -3.135 1.00 0.00 H new ATOM 0 HD2 PRO B 82 -0.202 25.614 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO B 82 -1.573 26.645 -1.500 1.00 0.00 H new ATOM 2226 N ASN B 83 0.352 22.985 -2.866 1.00 0.00 N ATOM 2227 CA ASN B 83 1.449 22.027 -2.847 1.00 0.00 C ATOM 2228 C ASN B 83 0.963 20.661 -2.400 1.00 0.00 C ATOM 2229 O ASN B 83 0.284 20.527 -1.383 1.00 0.00 O ATOM 2230 CB ASN B 83 2.579 22.493 -1.923 1.00 0.00 C ATOM 2231 CG ASN B 83 3.294 23.729 -2.433 1.00 0.00 C ATOM 2232 OD1 ASN B 83 4.242 23.638 -3.216 1.00 0.00 O ATOM 2233 ND2 ASN B 83 2.860 24.894 -1.975 1.00 0.00 N ATOM 0 H ASN B 83 -0.018 23.221 -1.945 1.00 0.00 H new ATOM 0 HA ASN B 83 1.835 21.956 -3.864 1.00 0.00 H new ATOM 0 HB2 ASN B 83 2.170 22.700 -0.934 1.00 0.00 H new ATOM 0 HB3 ASN B 83 3.301 21.685 -1.806 1.00 0.00 H new ATOM 0 HD21 ASN B 83 3.314 25.759 -2.269 1.00 0.00 H new ATOM 0 HD22 ASN B 83 2.072 24.926 -1.328 1.00 0.00 H new ATOM 2240 N PHE B 84 1.315 19.650 -3.167 1.00 0.00 N ATOM 2241 CA PHE B 84 0.969 18.283 -2.841 1.00 0.00 C ATOM 2242 C PHE B 84 2.146 17.617 -2.145 1.00 0.00 C ATOM 2243 O PHE B 84 3.209 17.443 -2.740 1.00 0.00 O ATOM 2244 CB PHE B 84 0.586 17.518 -4.112 1.00 0.00 C ATOM 2245 CG PHE B 84 0.178 16.093 -3.865 1.00 0.00 C ATOM 2246 CD1 PHE B 84 -1.050 15.799 -3.294 1.00 0.00 C ATOM 2247 CD2 PHE B 84 1.023 15.047 -4.206 1.00 0.00 C ATOM 2248 CE1 PHE B 84 -1.427 14.490 -3.066 1.00 0.00 C ATOM 2249 CE2 PHE B 84 0.649 13.737 -3.980 1.00 0.00 C ATOM 2250 CZ PHE B 84 -0.578 13.458 -3.410 1.00 0.00 C ATOM 0 H PHE B 84 1.847 19.753 -4.031 1.00 0.00 H new ATOM 0 HA PHE B 84 0.111 18.275 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE B 84 -0.234 18.040 -4.605 1.00 0.00 H new ATOM 0 HB3 PHE B 84 1.431 17.530 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE B 84 -1.720 16.602 -3.024 1.00 0.00 H new ATOM 0 HD2 PHE B 84 1.983 15.259 -4.653 1.00 0.00 H new ATOM 0 HE1 PHE B 84 -2.386 14.274 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE B 84 1.316 12.931 -4.249 1.00 0.00 H new ATOM 0 HZ PHE B 84 -0.872 12.434 -3.234 1.00 0.00 H new ATOM 2260 N GLU B 85 1.956 17.274 -0.881 1.00 0.00 N ATOM 2261 CA GLU B 85 3.005 16.661 -0.081 1.00 0.00 C ATOM 2262 C GLU B 85 2.782 15.160 0.043 1.00 0.00 C ATOM 2263 O GLU B 85 1.870 14.707 0.743 1.00 0.00 O ATOM 2264 CB GLU B 85 3.044 17.298 1.310 1.00 0.00 C ATOM 2265 CG GLU B 85 3.875 18.565 1.394 1.00 0.00 C ATOM 2266 CD GLU B 85 5.320 18.273 1.740 1.00 0.00 C ATOM 2267 OE1 GLU B 85 6.084 17.873 0.842 1.00 0.00 O ATOM 2268 OE2 GLU B 85 5.692 18.427 2.924 1.00 0.00 O ATOM 0 H GLU B 85 1.076 17.411 -0.383 1.00 0.00 H new ATOM 0 HA GLU B 85 3.959 16.829 -0.580 1.00 0.00 H new ATOM 0 HB2 GLU B 85 2.024 17.525 1.621 1.00 0.00 H new ATOM 0 HB3 GLU B 85 3.439 16.571 2.019 1.00 0.00 H new ATOM 0 HG2 GLU B 85 3.830 19.092 0.441 1.00 0.00 H new ATOM 0 HG3 GLU B 85 3.449 19.229 2.146 1.00 0.00 H new ATOM 2275 N ALA B 86 3.613 14.398 -0.643 1.00 0.00 N ATOM 2276 CA ALA B 86 3.549 12.950 -0.587 1.00 0.00 C ATOM 2277 C ALA B 86 4.831 12.388 0.004 1.00 0.00 C ATOM 2278 O ALA B 86 5.902 12.483 -0.595 1.00 0.00 O ATOM 2279 CB ALA B 86 3.299 12.373 -1.972 1.00 0.00 C ATOM 0 H ALA B 86 4.347 14.762 -1.251 1.00 0.00 H new ATOM 0 HA ALA B 86 2.717 12.664 0.057 1.00 0.00 H new ATOM 0 HB1 ALA B 86 3.254 11.286 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA B 86 2.354 12.754 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA B 86 4.109 12.665 -2.640 1.00 0.00 H new ATOM 2285 N VAL B 87 4.720 11.818 1.188 1.00 0.00 N ATOM 2286 CA VAL B 87 5.869 11.258 1.874 1.00 0.00 C ATOM 2287 C VAL B 87 5.748 9.741 1.931 1.00 0.00 C ATOM 2288 O VAL B 87 4.752 9.204 2.430 1.00 0.00 O ATOM 2289 CB VAL B 87 6.009 11.824 3.305 1.00 0.00 C ATOM 2290 CG1 VAL B 87 7.293 11.335 3.955 1.00 0.00 C ATOM 2291 CG2 VAL B 87 5.962 13.345 3.290 1.00 0.00 C ATOM 0 H VAL B 87 3.841 11.730 1.698 1.00 0.00 H new ATOM 0 HA VAL B 87 6.761 11.537 1.313 1.00 0.00 H new ATOM 0 HB VAL B 87 5.168 11.462 3.896 1.00 0.00 H new ATOM 0 HG11 VAL B 87 7.371 11.746 4.962 1.00 0.00 H new ATOM 0 HG12 VAL B 87 7.283 10.246 4.007 1.00 0.00 H new ATOM 0 HG13 VAL B 87 8.148 11.662 3.363 1.00 0.00 H new ATOM 0 HG21 VAL B 87 6.062 13.722 4.308 1.00 0.00 H new ATOM 0 HG22 VAL B 87 6.779 13.728 2.679 1.00 0.00 H new ATOM 0 HG23 VAL B 87 5.011 13.676 2.873 1.00 0.00 H new ATOM 2301 N ALA B 88 6.749 9.054 1.408 1.00 0.00 N ATOM 2302 CA ALA B 88 6.732 7.603 1.359 1.00 0.00 C ATOM 2303 C ALA B 88 8.082 7.037 1.762 1.00 0.00 C ATOM 2304 O ALA B 88 9.107 7.703 1.634 1.00 0.00 O ATOM 2305 CB ALA B 88 6.350 7.124 -0.034 1.00 0.00 C ATOM 0 H ALA B 88 7.586 9.480 1.010 1.00 0.00 H new ATOM 0 HA ALA B 88 5.985 7.245 2.067 1.00 0.00 H new ATOM 0 HB1 ALA B 88 6.342 6.034 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA B 88 5.359 7.499 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA B 88 7.075 7.495 -0.758 1.00 0.00 H new ATOM 2311 N GLU B 89 8.080 5.804 2.231 1.00 0.00 N ATOM 2312 CA GLU B 89 9.303 5.150 2.664 1.00 0.00 C ATOM 2313 C GLU B 89 9.776 4.184 1.585 1.00 0.00 C ATOM 2314 O GLU B 89 8.968 3.499 0.964 1.00 0.00 O ATOM 2315 CB GLU B 89 9.056 4.383 3.962 1.00 0.00 C ATOM 2316 CG GLU B 89 8.432 5.215 5.066 1.00 0.00 C ATOM 2317 CD GLU B 89 8.097 4.386 6.288 1.00 0.00 C ATOM 2318 OE1 GLU B 89 7.102 3.635 6.246 1.00 0.00 O ATOM 2319 OE2 GLU B 89 8.828 4.482 7.295 1.00 0.00 O ATOM 0 H GLU B 89 7.241 5.231 2.323 1.00 0.00 H new ATOM 0 HA GLU B 89 10.068 5.907 2.837 1.00 0.00 H new ATOM 0 HB2 GLU B 89 8.406 3.534 3.751 1.00 0.00 H new ATOM 0 HB3 GLU B 89 10.004 3.979 4.318 1.00 0.00 H new ATOM 0 HG2 GLU B 89 9.118 6.014 5.348 1.00 0.00 H new ATOM 0 HG3 GLU B 89 7.525 5.690 4.692 1.00 0.00 H new ATOM 2326 N VAL B 90 11.082 4.139 1.367 1.00 0.00 N ATOM 2327 CA VAL B 90 11.663 3.295 0.330 1.00 0.00 C ATOM 2328 C VAL B 90 12.309 2.058 0.945 1.00 0.00 C ATOM 2329 O VAL B 90 13.140 2.166 1.852 1.00 0.00 O ATOM 2330 CB VAL B 90 12.720 4.067 -0.489 1.00 0.00 C ATOM 2331 CG1 VAL B 90 13.293 3.196 -1.596 1.00 0.00 C ATOM 2332 CG2 VAL B 90 12.123 5.341 -1.066 1.00 0.00 C ATOM 0 H VAL B 90 11.764 4.680 1.898 1.00 0.00 H new ATOM 0 HA VAL B 90 10.855 2.990 -0.335 1.00 0.00 H new ATOM 0 HB VAL B 90 13.534 4.340 0.182 1.00 0.00 H new ATOM 0 HG11 VAL B 90 14.035 3.763 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL B 90 13.764 2.315 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL B 90 12.491 2.884 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL B 90 12.883 5.871 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL B 90 11.287 5.088 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL B 90 11.771 5.978 -0.254 1.00 0.00 H new ATOM 2342 N TYR B 91 11.922 0.887 0.459 1.00 0.00 N ATOM 2343 CA TYR B 91 12.448 -0.367 0.974 1.00 0.00 C ATOM 2344 C TYR B 91 13.020 -1.230 -0.142 1.00 0.00 C ATOM 2345 O TYR B 91 12.448 -1.334 -1.230 1.00 0.00 O ATOM 2346 CB TYR B 91 11.362 -1.136 1.731 1.00 0.00 C ATOM 2347 CG TYR B 91 10.893 -0.424 2.978 1.00 0.00 C ATOM 2348 CD1 TYR B 91 11.553 -0.600 4.185 1.00 0.00 C ATOM 2349 CD2 TYR B 91 9.807 0.439 2.943 1.00 0.00 C ATOM 2350 CE1 TYR B 91 11.146 0.067 5.323 1.00 0.00 C ATOM 2351 CE2 TYR B 91 9.391 1.104 4.078 1.00 0.00 C ATOM 2352 CZ TYR B 91 10.065 0.917 5.265 1.00 0.00 C ATOM 2353 OH TYR B 91 9.667 1.593 6.395 1.00 0.00 O ATOM 0 H TYR B 91 11.243 0.780 -0.294 1.00 0.00 H new ATOM 0 HA TYR B 91 13.257 -0.126 1.664 1.00 0.00 H new ATOM 0 HB2 TYR B 91 10.511 -1.297 1.070 1.00 0.00 H new ATOM 0 HB3 TYR B 91 11.744 -2.120 2.003 1.00 0.00 H new ATOM 0 HD1 TYR B 91 12.399 -1.270 4.235 1.00 0.00 H new ATOM 0 HD2 TYR B 91 9.279 0.592 2.013 1.00 0.00 H new ATOM 0 HE1 TYR B 91 11.673 -0.077 6.254 1.00 0.00 H new ATOM 0 HE2 TYR B 91 8.541 1.768 4.036 1.00 0.00 H new ATOM 0 HH TYR B 91 10.377 1.550 7.069 1.00 0.00 H new ATOM 2363 N ASN B 92 14.158 -1.834 0.137 1.00 0.00 N ATOM 2364 CA ASN B 92 14.804 -2.742 -0.792 1.00 0.00 C ATOM 2365 C ASN B 92 14.447 -4.172 -0.409 1.00 0.00 C ATOM 2366 O ASN B 92 14.063 -4.429 0.737 1.00 0.00 O ATOM 2367 CB ASN B 92 16.325 -2.536 -0.754 1.00 0.00 C ATOM 2368 CG ASN B 92 17.059 -3.285 -1.854 1.00 0.00 C ATOM 2369 OD1 ASN B 92 17.437 -4.440 -1.689 1.00 0.00 O ATOM 2370 ND2 ASN B 92 17.280 -2.623 -2.978 1.00 0.00 N ATOM 0 H ASN B 92 14.662 -1.709 1.015 1.00 0.00 H new ATOM 0 HA ASN B 92 14.460 -2.544 -1.807 1.00 0.00 H new ATOM 0 HB2 ASN B 92 16.543 -1.472 -0.840 1.00 0.00 H new ATOM 0 HB3 ASN B 92 16.705 -2.862 0.214 1.00 0.00 H new ATOM 0 HD21 ASN B 92 17.780 -3.073 -3.745 1.00 0.00 H new ATOM 0 HD22 ASN B 92 16.950 -1.663 -3.078 1.00 0.00 H new ATOM 2377 N ASP B 93 14.556 -5.094 -1.356 1.00 0.00 N ATOM 2378 CA ASP B 93 14.228 -6.486 -1.089 1.00 0.00 C ATOM 2379 C ASP B 93 15.192 -7.054 -0.060 1.00 0.00 C ATOM 2380 O ASP B 93 16.384 -6.736 -0.070 1.00 0.00 O ATOM 2381 CB ASP B 93 14.263 -7.315 -2.373 1.00 0.00 C ATOM 2382 CG ASP B 93 13.754 -8.726 -2.157 1.00 0.00 C ATOM 2383 OD1 ASP B 93 12.682 -8.886 -1.536 1.00 0.00 O ATOM 2384 OD2 ASP B 93 14.420 -9.680 -2.611 1.00 0.00 O ATOM 0 H ASP B 93 14.867 -4.905 -2.309 1.00 0.00 H new ATOM 0 HA ASP B 93 13.214 -6.533 -0.691 1.00 0.00 H new ATOM 0 HB2 ASP B 93 13.658 -6.825 -3.136 1.00 0.00 H new ATOM 0 HB3 ASP B 93 15.285 -7.353 -2.751 1.00 0.00 H new ATOM 2389 N ALA B 94 14.679 -7.885 0.830 1.00 0.00 N ATOM 2390 CA ALA B 94 15.457 -8.361 1.959 1.00 0.00 C ATOM 2391 C ALA B 94 16.467 -9.425 1.546 1.00 0.00 C ATOM 2392 O ALA B 94 16.222 -10.626 1.686 1.00 0.00 O ATOM 2393 CB ALA B 94 14.541 -8.878 3.056 1.00 0.00 C ATOM 0 H ALA B 94 13.725 -8.244 0.792 1.00 0.00 H new ATOM 0 HA ALA B 94 16.024 -7.515 2.348 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.141 -9.231 3.895 1.00 0.00 H new ATOM 0 HB2 ALA B 94 13.886 -8.074 3.392 1.00 0.00 H new ATOM 0 HB3 ALA B 94 13.939 -9.700 2.670 1.00 0.00 H new