USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot 126:sc= 0.889 USER MOD Set 1.2: A 102 GLN : amide:sc= 0.745 X(o=1.6,f=1.8) USER MOD Set 2.1: A 49 SER OG : rot 71:sc= 0.888 USER MOD Set 2.2: A 80 THR OG1 : rot -65:sc= 1.03 USER MOD Set 3.1: A 1 MET CE :methyl -123:sc= -3.08! (180deg=-3.19!) USER MOD Set 3.2: A 9 TYR OH : rot -106:sc= 1.2 USER MOD Set 3.3: A 93 TYR OH : rot 180:sc= 1.07 USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0973 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 72:sc= 1.22 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 10 CYS SG : rot 60:sc= 0.0912 USER MOD Single : A 11 MET CE :methyl 148:sc= -1.79 (180deg=-2.83!) USER MOD Single : A 13 LYS NZ :NH3+ 166:sc= 1.31 (180deg=0.514) USER MOD Single : A 18 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.1) USER MOD Single : A 19 SER OG : rot -130:sc= -0.923 USER MOD Single : A 21 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.0054) USER MOD Single : A 22 ASN : amide:sc= -0.295 K(o=-0.3,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.259 K(o=-0.26,f=-1) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 146:sc= -0.469 (180deg=-1.18) USER MOD Single : A 40 LYS NZ :NH3+ 145:sc= -0.357 (180deg=-1.67) USER MOD Single : A 44 ASN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -146:sc= 0.253 (180deg=0.00631) USER MOD Single : A 52 THR OG1 : rot 53:sc= 0.0479 USER MOD Single : A 62 GLN : amide:sc= 1.1 K(o=1.1,f=-0.55) USER MOD Single : A 63 GLN : amide:sc= -0.0271 X(o=-0.027,f=-0.044) USER MOD Single : A 64 HIS :FLIP no HD1:sc= 0.0362 F(o=-0.78,f=0.036) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 150:sc= -0.448 USER MOD Single : A 72 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=-0.0065) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= -0.083 (180deg=-0.469) USER MOD Single : A 77 HIS : no HD1:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 23:sc= 1.28 USER MOD Single : A 90 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 91 GLN : amide:sc= -1.32 K(o=-1.3,f=-5.9!) USER MOD Single : A 94 TYR OH : rot -140:sc= 1.21 USER MOD Single : A 99 SER OG : rot 76:sc= 0.908 USER MOD Single : A 100 TYR OH : rot 33:sc= 1.17 USER MOD Single : A 101 GLN : amide:sc= 0.15 X(o=0.15,f=-0.14) USER MOD Single : A 105 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.1!) USER MOD Single : A 111 LYS NZ :NH3+ -148:sc= 1.16 (180deg=1.1) USER MOD Single : A 113 LYS NZ :NH3+ 179:sc= 0.995 (180deg=0.955) USER MOD Single : A 117 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.677 -11.617 11.012 1.00 0.00 N ATOM 2 CA MET A 1 -2.996 -10.993 10.765 1.00 0.00 C ATOM 3 C MET A 1 -3.490 -11.332 9.366 1.00 0.00 C ATOM 4 O MET A 1 -2.743 -11.871 8.549 1.00 0.00 O ATOM 5 CB MET A 1 -2.912 -9.472 10.919 1.00 0.00 C ATOM 6 CG MET A 1 -2.016 -8.790 9.892 1.00 0.00 C ATOM 7 SD MET A 1 -2.133 -6.993 9.951 1.00 0.00 S ATOM 8 CE MET A 1 -1.569 -6.657 11.619 1.00 0.00 C ATOM 0 H1 MET A 1 -1.761 -12.313 11.780 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.351 -12.093 10.147 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.991 -10.884 11.283 1.00 0.00 H new ATOM 0 HA MET A 1 -3.697 -11.387 11.501 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.916 -9.054 10.844 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.544 -9.239 11.918 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.982 -9.088 10.063 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.286 -9.135 8.894 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.337 -6.103 12.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.372 -7.598 12.133 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.654 -6.066 11.582 1.00 0.00 H new ATOM 20 N THR A 2 -4.748 -11.021 9.099 1.00 0.00 N ATOM 21 CA THR A 2 -5.318 -11.222 7.781 1.00 0.00 C ATOM 22 C THR A 2 -5.748 -9.896 7.159 1.00 0.00 C ATOM 23 O THR A 2 -5.584 -8.833 7.760 1.00 0.00 O ATOM 24 CB THR A 2 -6.502 -12.209 7.820 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.236 -12.073 9.047 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.010 -13.640 7.671 1.00 0.00 C ATOM 0 H THR A 2 -5.395 -10.627 9.782 1.00 0.00 H new ATOM 0 HA THR A 2 -4.539 -11.658 7.156 1.00 0.00 H new ATOM 0 HB THR A 2 -7.164 -11.974 6.986 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.743 -11.234 9.034 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.860 -14.322 7.701 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.491 -13.749 6.719 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.326 -13.876 8.486 1.00 0.00 H new ATOM 34 N ILE A 3 -6.299 -9.976 5.954 1.00 0.00 N ATOM 35 CA ILE A 3 -6.629 -8.794 5.166 1.00 0.00 C ATOM 36 C ILE A 3 -7.711 -7.939 5.831 1.00 0.00 C ATOM 37 O ILE A 3 -7.713 -6.718 5.690 1.00 0.00 O ATOM 38 CB ILE A 3 -7.086 -9.202 3.744 1.00 0.00 C ATOM 39 CG1 ILE A 3 -5.970 -9.969 3.025 1.00 0.00 C ATOM 40 CG2 ILE A 3 -7.510 -7.989 2.923 1.00 0.00 C ATOM 41 CD1 ILE A 3 -4.677 -9.193 2.889 1.00 0.00 C ATOM 0 H ILE A 3 -6.529 -10.858 5.497 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.723 -8.192 5.100 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.954 -9.853 3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.771 -10.894 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.319 -10.251 2.031 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -7.824 -8.313 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.339 -7.485 3.420 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.670 -7.301 2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.939 -9.804 2.370 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.858 -8.281 2.320 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.302 -8.934 3.879 1.00 0.00 H new ATOM 53 N SER A 4 -8.612 -8.575 6.570 1.00 0.00 N ATOM 54 CA SER A 4 -9.738 -7.868 7.170 1.00 0.00 C ATOM 55 C SER A 4 -9.252 -6.821 8.180 1.00 0.00 C ATOM 56 O SER A 4 -9.684 -5.667 8.143 1.00 0.00 O ATOM 57 CB SER A 4 -10.695 -8.863 7.833 1.00 0.00 C ATOM 58 OG SER A 4 -11.941 -8.258 8.136 1.00 0.00 O ATOM 0 H SER A 4 -8.586 -9.575 6.768 1.00 0.00 H new ATOM 0 HA SER A 4 -10.276 -7.344 6.381 1.00 0.00 H new ATOM 0 HB2 SER A 4 -10.853 -9.714 7.171 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.245 -9.250 8.747 1.00 0.00 H new ATOM 0 HG SER A 4 -12.531 -8.918 8.557 1.00 0.00 H new ATOM 64 N GLU A 5 -8.339 -7.218 9.065 1.00 0.00 N ATOM 65 CA GLU A 5 -7.777 -6.290 10.045 1.00 0.00 C ATOM 66 C GLU A 5 -7.015 -5.175 9.339 1.00 0.00 C ATOM 67 O GLU A 5 -7.123 -4.003 9.705 1.00 0.00 O ATOM 68 CB GLU A 5 -6.837 -7.001 11.025 1.00 0.00 C ATOM 69 CG GLU A 5 -7.433 -8.238 11.678 1.00 0.00 C ATOM 70 CD GLU A 5 -7.199 -9.492 10.864 1.00 0.00 C ATOM 71 OE1 GLU A 5 -7.959 -9.741 9.904 1.00 0.00 O ATOM 72 OE2 GLU A 5 -6.247 -10.232 11.173 1.00 0.00 O ATOM 0 H GLU A 5 -7.975 -8.169 9.124 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.610 -5.871 10.610 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.928 -7.286 10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.545 -6.298 11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.999 -8.366 12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.504 -8.092 11.815 1.00 0.00 H new ATOM 79 N LEU A 6 -6.258 -5.556 8.313 1.00 0.00 N ATOM 80 CA LEU A 6 -5.480 -4.609 7.523 1.00 0.00 C ATOM 81 C LEU A 6 -6.411 -3.564 6.912 1.00 0.00 C ATOM 82 O LEU A 6 -6.108 -2.368 6.900 1.00 0.00 O ATOM 83 CB LEU A 6 -4.711 -5.372 6.431 1.00 0.00 C ATOM 84 CG LEU A 6 -3.472 -4.672 5.853 1.00 0.00 C ATOM 85 CD1 LEU A 6 -2.627 -5.664 5.071 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.860 -3.512 4.951 1.00 0.00 C ATOM 0 H LEU A 6 -6.168 -6.525 8.008 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.760 -4.093 8.159 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.401 -6.333 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.399 -5.581 5.612 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.894 -4.278 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.752 -5.156 4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.306 -6.469 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.216 -6.079 4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.960 -3.039 4.559 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.466 -3.881 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.434 -2.782 5.523 1.00 0.00 H new ATOM 98 N LEU A 7 -7.556 -4.028 6.429 1.00 0.00 N ATOM 99 CA LEU A 7 -8.566 -3.155 5.851 1.00 0.00 C ATOM 100 C LEU A 7 -9.090 -2.188 6.912 1.00 0.00 C ATOM 101 O LEU A 7 -9.216 -0.988 6.668 1.00 0.00 O ATOM 102 CB LEU A 7 -9.710 -4.005 5.281 1.00 0.00 C ATOM 103 CG LEU A 7 -10.624 -3.320 4.255 1.00 0.00 C ATOM 104 CD1 LEU A 7 -11.610 -2.376 4.929 1.00 0.00 C ATOM 105 CD2 LEU A 7 -9.796 -2.574 3.217 1.00 0.00 C ATOM 0 H LEU A 7 -7.809 -5.016 6.427 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.124 -2.571 5.044 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.278 -4.891 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.326 -4.349 6.111 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.199 -4.097 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.241 -1.909 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.233 -2.937 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.063 -1.605 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.460 -2.095 2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.189 -1.816 3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.145 -3.277 2.697 1.00 0.00 H new ATOM 117 N GLN A 8 -9.379 -2.726 8.091 1.00 0.00 N ATOM 118 CA GLN A 8 -9.866 -1.920 9.210 1.00 0.00 C ATOM 119 C GLN A 8 -8.863 -0.825 9.575 1.00 0.00 C ATOM 120 O GLN A 8 -9.247 0.304 9.885 1.00 0.00 O ATOM 121 CB GLN A 8 -10.147 -2.804 10.429 1.00 0.00 C ATOM 122 CG GLN A 8 -10.639 -2.027 11.641 1.00 0.00 C ATOM 123 CD GLN A 8 -10.965 -2.914 12.823 1.00 0.00 C ATOM 124 OE1 GLN A 8 -10.373 -3.979 13.002 1.00 0.00 O ATOM 125 NE2 GLN A 8 -11.903 -2.475 13.644 1.00 0.00 N ATOM 0 H GLN A 8 -9.285 -3.720 8.300 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.796 -1.444 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.892 -3.553 10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -9.237 -3.341 10.696 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.878 -1.305 11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.527 -1.459 11.365 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -12.368 -1.587 13.458 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.161 -3.025 14.464 1.00 0.00 H new ATOM 134 N TYR A 9 -7.580 -1.165 9.531 1.00 0.00 N ATOM 135 CA TYR A 9 -6.522 -0.198 9.807 1.00 0.00 C ATOM 136 C TYR A 9 -6.557 0.940 8.795 1.00 0.00 C ATOM 137 O TYR A 9 -6.454 2.112 9.156 1.00 0.00 O ATOM 138 CB TYR A 9 -5.151 -0.871 9.769 1.00 0.00 C ATOM 139 CG TYR A 9 -4.951 -1.921 10.841 1.00 0.00 C ATOM 140 CD1 TYR A 9 -5.479 -1.751 12.117 1.00 0.00 C ATOM 141 CD2 TYR A 9 -4.245 -3.085 10.575 1.00 0.00 C ATOM 142 CE1 TYR A 9 -5.306 -2.714 13.092 1.00 0.00 C ATOM 143 CE2 TYR A 9 -4.071 -4.052 11.546 1.00 0.00 C ATOM 144 CZ TYR A 9 -4.602 -3.861 12.801 1.00 0.00 C ATOM 145 OH TYR A 9 -4.431 -4.822 13.769 1.00 0.00 O ATOM 0 H TYR A 9 -7.246 -2.103 9.307 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.692 0.206 10.805 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -5.011 -1.333 8.792 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.380 -0.108 9.874 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.032 -0.853 12.349 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.824 -3.238 9.592 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.721 -2.568 14.078 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.521 -4.954 11.321 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.507 -4.797 14.095 1.00 0.00 H new ATOM 155 N CYS A 10 -6.706 0.577 7.531 1.00 0.00 N ATOM 156 CA CYS A 10 -6.775 1.553 6.448 1.00 0.00 C ATOM 157 C CYS A 10 -7.980 2.478 6.611 1.00 0.00 C ATOM 158 O CYS A 10 -7.903 3.668 6.315 1.00 0.00 O ATOM 159 CB CYS A 10 -6.846 0.835 5.100 1.00 0.00 C ATOM 160 SG CYS A 10 -5.462 -0.287 4.794 1.00 0.00 S ATOM 0 H CYS A 10 -6.782 -0.393 7.225 1.00 0.00 H new ATOM 0 HA CYS A 10 -5.873 2.163 6.486 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -7.777 0.270 5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -6.880 1.579 4.304 1.00 0.00 H new ATOM 0 HG CYS A 10 -5.432 -1.201 5.718 1.00 0.00 H new ATOM 166 N MET A 11 -9.088 1.932 7.099 1.00 0.00 N ATOM 167 CA MET A 11 -10.305 2.719 7.288 1.00 0.00 C ATOM 168 C MET A 11 -10.143 3.716 8.432 1.00 0.00 C ATOM 169 O MET A 11 -10.898 4.682 8.536 1.00 0.00 O ATOM 170 CB MET A 11 -11.508 1.811 7.551 1.00 0.00 C ATOM 171 CG MET A 11 -11.911 0.932 6.371 1.00 0.00 C ATOM 172 SD MET A 11 -12.440 1.869 4.914 1.00 0.00 S ATOM 173 CE MET A 11 -10.878 2.149 4.077 1.00 0.00 C ATOM 0 H MET A 11 -9.171 0.952 7.370 1.00 0.00 H new ATOM 0 HA MET A 11 -10.482 3.275 6.367 1.00 0.00 H new ATOM 0 HB2 MET A 11 -11.283 1.171 8.404 1.00 0.00 H new ATOM 0 HB3 MET A 11 -12.359 2.431 7.833 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.068 0.297 6.098 1.00 0.00 H new ATOM 0 HG3 MET A 11 -12.721 0.271 6.681 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.042 2.173 3.000 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.457 3.101 4.401 1.00 0.00 H new ATOM 0 HE3 MET A 11 -10.185 1.344 4.321 1.00 0.00 H new ATOM 183 N ALA A 12 -9.152 3.485 9.284 1.00 0.00 N ATOM 184 CA ALA A 12 -8.864 4.398 10.380 1.00 0.00 C ATOM 185 C ALA A 12 -8.018 5.571 9.890 1.00 0.00 C ATOM 186 O ALA A 12 -7.750 6.519 10.631 1.00 0.00 O ATOM 187 CB ALA A 12 -8.156 3.669 11.511 1.00 0.00 C ATOM 0 H ALA A 12 -8.535 2.674 9.236 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.809 4.787 10.760 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.949 4.368 12.321 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.792 2.864 11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.219 3.251 11.144 1.00 0.00 H new ATOM 193 N LYS A 13 -7.596 5.496 8.636 1.00 0.00 N ATOM 194 CA LYS A 13 -6.821 6.561 8.022 1.00 0.00 C ATOM 195 C LYS A 13 -7.747 7.501 7.262 1.00 0.00 C ATOM 196 O LYS A 13 -8.413 7.090 6.310 1.00 0.00 O ATOM 197 CB LYS A 13 -5.761 5.980 7.080 1.00 0.00 C ATOM 198 CG LYS A 13 -4.741 5.099 7.784 1.00 0.00 C ATOM 199 CD LYS A 13 -3.950 5.890 8.812 1.00 0.00 C ATOM 200 CE LYS A 13 -3.103 4.981 9.687 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.366 5.753 10.719 1.00 0.00 N ATOM 0 H LYS A 13 -7.780 4.703 8.022 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.311 7.122 8.806 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.257 5.398 6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.241 6.798 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.250 4.268 8.273 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.060 4.668 7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.307 6.608 8.303 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.635 6.462 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.741 4.242 10.171 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.395 4.433 9.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -1.992 5.102 11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.579 6.265 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.011 6.433 11.170 1.00 0.00 H new ATOM 215 N PRO A 14 -7.813 8.772 7.684 1.00 0.00 N ATOM 216 CA PRO A 14 -8.705 9.761 7.077 1.00 0.00 C ATOM 217 C PRO A 14 -8.376 10.000 5.608 1.00 0.00 C ATOM 218 O PRO A 14 -7.298 10.493 5.276 1.00 0.00 O ATOM 219 CB PRO A 14 -8.458 11.039 7.893 1.00 0.00 C ATOM 220 CG PRO A 14 -7.784 10.585 9.146 1.00 0.00 C ATOM 221 CD PRO A 14 -7.021 9.346 8.782 1.00 0.00 C ATOM 0 HA PRO A 14 -9.744 9.431 7.096 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.832 11.742 7.343 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.394 11.551 8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.116 11.356 9.530 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.514 10.377 9.928 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.004 9.578 8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.944 8.659 9.625 1.00 0.00 H new ATOM 229 N GLY A 15 -9.287 9.613 4.730 1.00 0.00 N ATOM 230 CA GLY A 15 -9.102 9.862 3.314 1.00 0.00 C ATOM 231 C GLY A 15 -8.886 8.588 2.525 1.00 0.00 C ATOM 232 O GLY A 15 -9.045 8.574 1.306 1.00 0.00 O ATOM 0 H GLY A 15 -10.153 9.130 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.975 10.384 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.246 10.522 3.173 1.00 0.00 H new ATOM 236 N ALA A 16 -8.523 7.518 3.220 1.00 0.00 N ATOM 237 CA ALA A 16 -8.297 6.234 2.572 1.00 0.00 C ATOM 238 C ALA A 16 -9.623 5.587 2.195 1.00 0.00 C ATOM 239 O ALA A 16 -10.422 5.237 3.065 1.00 0.00 O ATOM 240 CB ALA A 16 -7.487 5.314 3.473 1.00 0.00 C ATOM 0 H ALA A 16 -8.379 7.514 4.230 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.727 6.405 1.659 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.329 4.360 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.523 5.774 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.028 5.148 4.405 1.00 0.00 H new ATOM 246 N GLU A 17 -9.858 5.456 0.900 1.00 0.00 N ATOM 247 CA GLU A 17 -11.090 4.869 0.399 1.00 0.00 C ATOM 248 C GLU A 17 -10.798 3.549 -0.309 1.00 0.00 C ATOM 249 O GLU A 17 -9.690 3.336 -0.806 1.00 0.00 O ATOM 250 CB GLU A 17 -11.779 5.850 -0.560 1.00 0.00 C ATOM 251 CG GLU A 17 -13.134 5.381 -1.069 1.00 0.00 C ATOM 252 CD GLU A 17 -14.151 5.200 0.041 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.118 4.153 0.720 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.998 6.101 0.231 1.00 0.00 O ATOM 0 H GLU A 17 -9.207 5.750 0.172 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.756 4.668 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.906 6.807 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.124 6.026 -1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.516 6.104 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.010 4.437 -1.599 1.00 0.00 H new ATOM 261 N GLN A 18 -11.794 2.671 -0.354 1.00 0.00 N ATOM 262 CA GLN A 18 -11.660 1.382 -1.022 1.00 0.00 C ATOM 263 C GLN A 18 -12.079 1.502 -2.480 1.00 0.00 C ATOM 264 O GLN A 18 -13.039 2.200 -2.802 1.00 0.00 O ATOM 265 CB GLN A 18 -12.522 0.317 -0.337 1.00 0.00 C ATOM 266 CG GLN A 18 -12.137 0.030 1.104 1.00 0.00 C ATOM 267 CD GLN A 18 -13.045 -0.998 1.750 1.00 0.00 C ATOM 268 OE1 GLN A 18 -12.792 -2.201 1.687 1.00 0.00 O ATOM 269 NE2 GLN A 18 -14.111 -0.533 2.380 1.00 0.00 N ATOM 0 H GLN A 18 -12.709 2.830 0.067 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.614 1.081 -0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.564 0.637 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -12.457 -0.609 -0.909 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.107 -0.326 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -12.174 0.956 1.678 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.288 0.471 2.411 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.757 -1.179 2.835 1.00 0.00 H new ATOM 278 N SER A 19 -11.350 0.840 -3.363 1.00 0.00 N ATOM 279 CA SER A 19 -11.702 0.825 -4.773 1.00 0.00 C ATOM 280 C SER A 19 -11.310 -0.498 -5.418 1.00 0.00 C ATOM 281 O SER A 19 -10.127 -0.792 -5.579 1.00 0.00 O ATOM 282 CB SER A 19 -11.023 1.993 -5.497 1.00 0.00 C ATOM 283 OG SER A 19 -11.436 3.230 -4.945 1.00 0.00 O ATOM 0 H SER A 19 -10.512 0.307 -3.129 1.00 0.00 H new ATOM 0 HA SER A 19 -12.783 0.935 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.940 1.897 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.269 1.962 -6.558 1.00 0.00 H new ATOM 0 HG SER A 19 -11.720 3.831 -5.665 1.00 0.00 H new ATOM 289 N VAL A 20 -12.304 -1.304 -5.757 1.00 0.00 N ATOM 290 CA VAL A 20 -12.055 -2.564 -6.436 1.00 0.00 C ATOM 291 C VAL A 20 -12.213 -2.388 -7.944 1.00 0.00 C ATOM 292 O VAL A 20 -13.244 -1.914 -8.429 1.00 0.00 O ATOM 293 CB VAL A 20 -12.980 -3.693 -5.920 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.445 -3.293 -5.999 1.00 0.00 C ATOM 295 CG2 VAL A 20 -12.734 -4.989 -6.682 1.00 0.00 C ATOM 0 H VAL A 20 -13.288 -1.108 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.030 -2.862 -6.216 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.738 -3.861 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.065 -4.109 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.613 -2.405 -5.390 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.708 -3.078 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.396 -5.767 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.932 -4.831 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.697 -5.298 -6.549 1.00 0.00 H new ATOM 305 N HIS A 21 -11.173 -2.737 -8.680 1.00 0.00 N ATOM 306 CA HIS A 21 -11.193 -2.605 -10.127 1.00 0.00 C ATOM 307 C HIS A 21 -11.456 -3.961 -10.771 1.00 0.00 C ATOM 308 O HIS A 21 -10.703 -4.914 -10.560 1.00 0.00 O ATOM 309 CB HIS A 21 -9.865 -2.025 -10.623 1.00 0.00 C ATOM 310 CG HIS A 21 -9.884 -1.607 -12.060 1.00 0.00 C ATOM 311 ND1 HIS A 21 -10.050 -0.300 -12.458 1.00 0.00 N ATOM 312 CD2 HIS A 21 -9.748 -2.326 -13.200 1.00 0.00 C ATOM 313 CE1 HIS A 21 -10.020 -0.232 -13.772 1.00 0.00 C ATOM 314 NE2 HIS A 21 -9.836 -1.447 -14.246 1.00 0.00 N ATOM 0 H HIS A 21 -10.304 -3.114 -8.301 1.00 0.00 H new ATOM 0 HA HIS A 21 -11.995 -1.923 -10.409 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.604 -1.164 -10.008 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -9.080 -2.768 -10.481 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.598 -3.393 -13.271 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -10.128 0.667 -14.361 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -9.770 -1.693 -15.234 1.00 0.00 H new ATOM 323 N ASN A 22 -12.523 -4.040 -11.556 1.00 0.00 N ATOM 324 CA ASN A 22 -12.900 -5.284 -12.216 1.00 0.00 C ATOM 325 C ASN A 22 -11.905 -5.607 -13.323 1.00 0.00 C ATOM 326 O ASN A 22 -12.003 -5.082 -14.434 1.00 0.00 O ATOM 327 CB ASN A 22 -14.323 -5.182 -12.783 1.00 0.00 C ATOM 328 CG ASN A 22 -14.889 -6.515 -13.253 1.00 0.00 C ATOM 329 OD1 ASN A 22 -14.159 -7.396 -13.708 1.00 0.00 O ATOM 330 ND2 ASN A 22 -16.200 -6.674 -13.134 1.00 0.00 N ATOM 0 H ASN A 22 -13.144 -3.255 -11.752 1.00 0.00 H new ATOM 0 HA ASN A 22 -12.883 -6.090 -11.483 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -14.980 -4.767 -12.019 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.323 -4.482 -13.619 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -16.636 -7.549 -13.424 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.772 -5.921 -12.752 1.00 0.00 H new ATOM 337 N ASP A 23 -10.939 -6.451 -12.985 1.00 0.00 N ATOM 338 CA ASP A 23 -9.877 -6.870 -13.895 1.00 0.00 C ATOM 339 C ASP A 23 -8.899 -7.738 -13.115 1.00 0.00 C ATOM 340 O ASP A 23 -8.841 -8.950 -13.301 1.00 0.00 O ATOM 341 CB ASP A 23 -9.136 -5.667 -14.496 1.00 0.00 C ATOM 342 CG ASP A 23 -8.125 -6.078 -15.551 1.00 0.00 C ATOM 343 OD1 ASP A 23 -7.017 -6.510 -15.184 1.00 0.00 O ATOM 344 OD2 ASP A 23 -8.433 -5.960 -16.755 1.00 0.00 O ATOM 0 H ASP A 23 -10.869 -6.871 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.319 -7.426 -14.722 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.860 -4.982 -14.938 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.626 -5.123 -13.701 1.00 0.00 H new ATOM 349 N TRP A 24 -8.144 -7.096 -12.228 1.00 0.00 N ATOM 350 CA TRP A 24 -7.312 -7.805 -11.266 1.00 0.00 C ATOM 351 C TRP A 24 -8.169 -8.262 -10.095 1.00 0.00 C ATOM 352 O TRP A 24 -7.804 -9.184 -9.370 1.00 0.00 O ATOM 353 CB TRP A 24 -6.183 -6.907 -10.747 1.00 0.00 C ATOM 354 CG TRP A 24 -5.102 -6.636 -11.749 1.00 0.00 C ATOM 355 CD1 TRP A 24 -5.162 -5.784 -12.814 1.00 0.00 C ATOM 356 CD2 TRP A 24 -3.787 -7.209 -11.766 1.00 0.00 C ATOM 357 NE1 TRP A 24 -3.972 -5.800 -13.498 1.00 0.00 N ATOM 358 CE2 TRP A 24 -3.112 -6.664 -12.874 1.00 0.00 C ATOM 359 CE3 TRP A 24 -3.117 -8.135 -10.955 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -1.800 -7.010 -13.191 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -1.814 -8.476 -11.270 1.00 0.00 C ATOM 362 CH2 TRP A 24 -1.169 -7.915 -12.378 1.00 0.00 C ATOM 0 H TRP A 24 -8.093 -6.080 -12.157 1.00 0.00 H new ATOM 0 HA TRP A 24 -6.868 -8.666 -11.765 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.609 -5.957 -10.424 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.739 -7.373 -9.867 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.020 -5.185 -13.080 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.762 -5.256 -14.335 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.609 -8.574 -10.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.299 -6.581 -14.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.286 -9.186 -10.651 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.151 -8.202 -12.597 1.00 0.00 H new ATOM 373 N LYS A 25 -9.307 -7.577 -9.916 1.00 0.00 N ATOM 374 CA LYS A 25 -10.254 -7.874 -8.839 1.00 0.00 C ATOM 375 C LYS A 25 -9.622 -7.546 -7.488 1.00 0.00 C ATOM 376 O LYS A 25 -10.076 -7.992 -6.435 1.00 0.00 O ATOM 377 CB LYS A 25 -10.697 -9.339 -8.909 1.00 0.00 C ATOM 378 CG LYS A 25 -11.984 -9.631 -8.160 1.00 0.00 C ATOM 379 CD LYS A 25 -12.454 -11.051 -8.424 1.00 0.00 C ATOM 380 CE LYS A 25 -13.819 -11.310 -7.813 1.00 0.00 C ATOM 381 NZ LYS A 25 -14.380 -12.612 -8.257 1.00 0.00 N ATOM 0 H LYS A 25 -9.594 -6.803 -10.515 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.142 -7.254 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.825 -9.619 -9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.903 -9.968 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.828 -9.488 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.756 -8.925 -8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.496 -11.227 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.731 -11.756 -8.014 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.739 -11.299 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.501 -10.506 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -15.313 -12.755 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.479 -12.612 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.741 -13.381 -7.970 1.00 0.00 H new ATOM 395 N ALA A 26 -8.585 -6.727 -7.544 1.00 0.00 N ATOM 396 CA ALA A 26 -7.862 -6.307 -6.361 1.00 0.00 C ATOM 397 C ALA A 26 -8.474 -5.038 -5.789 1.00 0.00 C ATOM 398 O ALA A 26 -9.317 -4.407 -6.429 1.00 0.00 O ATOM 399 CB ALA A 26 -6.402 -6.080 -6.707 1.00 0.00 C ATOM 0 H ALA A 26 -8.222 -6.336 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.930 -7.091 -5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.861 -5.764 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.969 -7.006 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.325 -5.306 -7.471 1.00 0.00 H new ATOM 405 N THR A 27 -8.047 -4.663 -4.595 1.00 0.00 N ATOM 406 CA THR A 27 -8.537 -3.454 -3.966 1.00 0.00 C ATOM 407 C THR A 27 -7.437 -2.400 -3.916 1.00 0.00 C ATOM 408 O THR A 27 -6.387 -2.603 -3.302 1.00 0.00 O ATOM 409 CB THR A 27 -9.046 -3.744 -2.540 1.00 0.00 C ATOM 410 OG1 THR A 27 -9.953 -4.855 -2.569 1.00 0.00 O ATOM 411 CG2 THR A 27 -9.749 -2.529 -1.952 1.00 0.00 C ATOM 0 H THR A 27 -7.362 -5.180 -4.044 1.00 0.00 H new ATOM 0 HA THR A 27 -9.368 -3.077 -4.562 1.00 0.00 H new ATOM 0 HB THR A 27 -8.187 -3.982 -1.912 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.274 -5.039 -1.662 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.098 -2.762 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.053 -1.691 -1.910 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.600 -2.263 -2.578 1.00 0.00 H new ATOM 419 N GLN A 28 -7.676 -1.287 -4.583 1.00 0.00 N ATOM 420 CA GLN A 28 -6.746 -0.178 -4.579 1.00 0.00 C ATOM 421 C GLN A 28 -7.098 0.795 -3.462 1.00 0.00 C ATOM 422 O GLN A 28 -8.261 1.169 -3.289 1.00 0.00 O ATOM 423 CB GLN A 28 -6.754 0.540 -5.936 1.00 0.00 C ATOM 424 CG GLN A 28 -5.969 -0.179 -7.029 1.00 0.00 C ATOM 425 CD GLN A 28 -6.595 -1.486 -7.478 1.00 0.00 C ATOM 426 OE1 GLN A 28 -7.814 -1.653 -7.475 1.00 0.00 O ATOM 427 NE2 GLN A 28 -5.754 -2.429 -7.875 1.00 0.00 N ATOM 0 H GLN A 28 -8.516 -1.128 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.743 -0.567 -4.404 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.786 0.660 -6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.342 1.541 -5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.876 0.482 -7.890 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.960 -0.376 -6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.749 -2.254 -7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.111 -3.330 -8.192 1.00 0.00 H new ATOM 436 N ILE A 29 -6.096 1.181 -2.691 1.00 0.00 N ATOM 437 CA ILE A 29 -6.299 2.102 -1.588 1.00 0.00 C ATOM 438 C ILE A 29 -5.789 3.482 -1.971 1.00 0.00 C ATOM 439 O ILE A 29 -4.581 3.695 -2.115 1.00 0.00 O ATOM 440 CB ILE A 29 -5.576 1.627 -0.312 1.00 0.00 C ATOM 441 CG1 ILE A 29 -5.882 0.150 -0.049 1.00 0.00 C ATOM 442 CG2 ILE A 29 -5.990 2.477 0.885 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.100 -0.447 1.104 1.00 0.00 C ATOM 0 H ILE A 29 -5.132 0.870 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.368 2.142 -1.379 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.502 1.740 -0.459 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.947 0.041 0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.669 -0.421 -0.953 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.470 2.127 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.730 3.519 0.699 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.066 2.393 1.036 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.374 -1.495 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.032 -0.372 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.331 0.097 2.020 1.00 0.00 H new ATOM 455 N LYS A 30 -6.713 4.411 -2.153 1.00 0.00 N ATOM 456 CA LYS A 30 -6.365 5.744 -2.613 1.00 0.00 C ATOM 457 C LYS A 30 -7.097 6.816 -1.815 1.00 0.00 C ATOM 458 O LYS A 30 -8.081 6.534 -1.131 1.00 0.00 O ATOM 459 CB LYS A 30 -6.667 5.877 -4.117 1.00 0.00 C ATOM 460 CG LYS A 30 -8.075 5.450 -4.529 1.00 0.00 C ATOM 461 CD LYS A 30 -9.108 6.530 -4.240 1.00 0.00 C ATOM 462 CE LYS A 30 -10.514 6.062 -4.561 1.00 0.00 C ATOM 463 NZ LYS A 30 -11.539 7.089 -4.232 1.00 0.00 N ATOM 0 H LYS A 30 -7.709 4.266 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.297 5.893 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.516 6.915 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.944 5.279 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.085 5.215 -5.593 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.347 4.538 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.051 6.817 -3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.878 7.420 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.579 5.813 -5.620 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.726 5.149 -4.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.484 6.725 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.497 7.309 -3.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.354 7.953 -4.781 1.00 0.00 H new ATOM 477 N VAL A 31 -6.590 8.039 -1.896 1.00 0.00 N ATOM 478 CA VAL A 31 -7.235 9.186 -1.269 1.00 0.00 C ATOM 479 C VAL A 31 -8.127 9.878 -2.302 1.00 0.00 C ATOM 480 O VAL A 31 -8.874 9.216 -3.017 1.00 0.00 O ATOM 481 CB VAL A 31 -6.187 10.184 -0.708 1.00 0.00 C ATOM 482 CG1 VAL A 31 -6.787 11.044 0.402 1.00 0.00 C ATOM 483 CG2 VAL A 31 -4.951 9.448 -0.205 1.00 0.00 C ATOM 0 H VAL A 31 -5.728 8.263 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.838 8.838 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.886 10.843 -1.522 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.031 11.734 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.631 11.610 0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.128 10.403 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.231 10.169 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.237 8.757 0.588 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.500 8.891 -1.026 1.00 0.00 H new ATOM 493 N GLU A 32 -8.051 11.197 -2.375 1.00 0.00 N ATOM 494 CA GLU A 32 -8.797 11.961 -3.369 1.00 0.00 C ATOM 495 C GLU A 32 -8.479 11.490 -4.784 1.00 0.00 C ATOM 496 O GLU A 32 -9.333 10.942 -5.477 1.00 0.00 O ATOM 497 CB GLU A 32 -8.483 13.450 -3.232 1.00 0.00 C ATOM 498 CG GLU A 32 -9.098 14.082 -1.999 1.00 0.00 C ATOM 499 CD GLU A 32 -10.610 14.084 -2.057 1.00 0.00 C ATOM 500 OE1 GLU A 32 -11.181 15.015 -2.669 1.00 0.00 O ATOM 501 OE2 GLU A 32 -11.230 13.155 -1.513 1.00 0.00 O ATOM 0 H GLU A 32 -7.476 11.767 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.860 11.798 -3.189 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.402 13.585 -3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.843 13.973 -4.118 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.770 13.540 -1.112 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.738 15.106 -1.898 1.00 0.00 H new ATOM 508 N ASP A 33 -7.245 11.705 -5.206 1.00 0.00 N ATOM 509 CA ASP A 33 -6.815 11.292 -6.536 1.00 0.00 C ATOM 510 C ASP A 33 -5.444 10.632 -6.448 1.00 0.00 C ATOM 511 O ASP A 33 -4.811 10.324 -7.454 1.00 0.00 O ATOM 512 CB ASP A 33 -6.773 12.509 -7.467 1.00 0.00 C ATOM 513 CG ASP A 33 -6.543 12.147 -8.921 1.00 0.00 C ATOM 514 OD1 ASP A 33 -7.504 11.701 -9.585 1.00 0.00 O ATOM 515 OD2 ASP A 33 -5.409 12.334 -9.417 1.00 0.00 O ATOM 0 H ASP A 33 -6.522 12.162 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.523 10.570 -6.943 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.712 13.056 -7.381 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.981 13.182 -7.138 1.00 0.00 H new ATOM 520 N VAL A 34 -4.996 10.397 -5.225 1.00 0.00 N ATOM 521 CA VAL A 34 -3.670 9.848 -4.999 1.00 0.00 C ATOM 522 C VAL A 34 -3.746 8.385 -4.578 1.00 0.00 C ATOM 523 O VAL A 34 -4.111 8.072 -3.443 1.00 0.00 O ATOM 524 CB VAL A 34 -2.897 10.653 -3.929 1.00 0.00 C ATOM 525 CG1 VAL A 34 -1.486 10.108 -3.753 1.00 0.00 C ATOM 526 CG2 VAL A 34 -2.855 12.132 -4.290 1.00 0.00 C ATOM 0 H VAL A 34 -5.531 10.578 -4.375 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.132 9.919 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.426 10.545 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.963 10.691 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.535 9.065 -3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.949 10.177 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.306 12.678 -3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.357 12.258 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.872 12.520 -4.354 1.00 0.00 H new ATOM 536 N LEU A 35 -3.437 7.498 -5.513 1.00 0.00 N ATOM 537 CA LEU A 35 -3.320 6.076 -5.220 1.00 0.00 C ATOM 538 C LEU A 35 -1.925 5.789 -4.684 1.00 0.00 C ATOM 539 O LEU A 35 -0.937 6.191 -5.296 1.00 0.00 O ATOM 540 CB LEU A 35 -3.579 5.254 -6.488 1.00 0.00 C ATOM 541 CG LEU A 35 -3.389 3.740 -6.341 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.387 3.166 -5.351 1.00 0.00 C ATOM 543 CD2 LEU A 35 -3.518 3.057 -7.692 1.00 0.00 C ATOM 0 H LEU A 35 -3.262 7.740 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.060 5.797 -4.470 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.599 5.444 -6.822 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.914 5.612 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.386 3.555 -5.955 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.234 2.090 -5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.244 3.634 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.400 3.361 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.381 1.982 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.508 3.252 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.758 3.446 -8.370 1.00 0.00 H new ATOM 555 N PHE A 36 -1.832 5.120 -3.547 1.00 0.00 N ATOM 556 CA PHE A 36 -0.528 4.860 -2.950 1.00 0.00 C ATOM 557 C PHE A 36 -0.242 3.369 -2.806 1.00 0.00 C ATOM 558 O PHE A 36 0.900 2.942 -2.961 1.00 0.00 O ATOM 559 CB PHE A 36 -0.380 5.588 -1.604 1.00 0.00 C ATOM 560 CG PHE A 36 -1.483 5.339 -0.613 1.00 0.00 C ATOM 561 CD1 PHE A 36 -1.398 4.295 0.292 1.00 0.00 C ATOM 562 CD2 PHE A 36 -2.593 6.167 -0.572 1.00 0.00 C ATOM 563 CE1 PHE A 36 -2.394 4.085 1.223 1.00 0.00 C ATOM 564 CE2 PHE A 36 -3.596 5.958 0.354 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.496 4.915 1.252 1.00 0.00 C ATOM 0 H PHE A 36 -2.627 4.752 -3.025 1.00 0.00 H new ATOM 0 HA PHE A 36 0.220 5.259 -3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.566 5.291 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.320 6.660 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.542 3.637 0.269 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.675 6.985 -1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.311 3.272 1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.457 6.610 0.375 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.279 4.749 1.977 1.00 0.00 H new ATOM 575 N ALA A 37 -1.267 2.573 -2.535 1.00 0.00 N ATOM 576 CA ALA A 37 -1.075 1.143 -2.348 1.00 0.00 C ATOM 577 C ALA A 37 -2.252 0.356 -2.901 1.00 0.00 C ATOM 578 O ALA A 37 -3.345 0.893 -3.067 1.00 0.00 O ATOM 579 CB ALA A 37 -0.870 0.824 -0.873 1.00 0.00 C ATOM 0 H ALA A 37 -2.232 2.890 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.182 0.847 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.728 -0.250 -0.749 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.010 1.351 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.746 1.142 -0.307 1.00 0.00 H new ATOM 585 N MET A 38 -2.024 -0.913 -3.191 1.00 0.00 N ATOM 586 CA MET A 38 -3.079 -1.784 -3.691 1.00 0.00 C ATOM 587 C MET A 38 -2.867 -3.211 -3.199 1.00 0.00 C ATOM 588 O MET A 38 -1.770 -3.761 -3.315 1.00 0.00 O ATOM 589 CB MET A 38 -3.133 -1.760 -5.228 1.00 0.00 C ATOM 590 CG MET A 38 -1.859 -2.254 -5.898 1.00 0.00 C ATOM 591 SD MET A 38 -2.003 -2.382 -7.692 1.00 0.00 S ATOM 592 CE MET A 38 -2.301 -0.676 -8.148 1.00 0.00 C ATOM 0 H MET A 38 -1.116 -1.366 -3.089 1.00 0.00 H new ATOM 0 HA MET A 38 -4.030 -1.414 -3.308 1.00 0.00 H new ATOM 0 HB2 MET A 38 -3.969 -2.374 -5.562 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.334 -0.741 -5.559 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.041 -1.576 -5.653 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.597 -3.230 -5.490 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.836 -0.471 -9.112 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.374 -0.500 -8.218 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.874 -0.017 -7.392 1.00 0.00 H new ATOM 602 N VAL A 39 -3.913 -3.805 -2.648 1.00 0.00 N ATOM 603 CA VAL A 39 -3.843 -5.179 -2.178 1.00 0.00 C ATOM 604 C VAL A 39 -4.405 -6.117 -3.244 1.00 0.00 C ATOM 605 O VAL A 39 -5.551 -5.976 -3.675 1.00 0.00 O ATOM 606 CB VAL A 39 -4.578 -5.374 -0.826 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.029 -4.927 -0.907 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.483 -6.823 -0.360 1.00 0.00 C ATOM 0 H VAL A 39 -4.820 -3.358 -2.515 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.795 -5.421 -2.002 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.081 -4.743 -0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.511 -5.079 0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.070 -3.870 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.548 -5.511 -1.667 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.006 -6.935 0.590 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.940 -7.475 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.436 -7.096 -0.232 1.00 0.00 H new ATOM 618 N LYS A 40 -3.583 -7.058 -3.681 1.00 0.00 N ATOM 619 CA LYS A 40 -3.937 -7.926 -4.789 1.00 0.00 C ATOM 620 C LYS A 40 -3.554 -9.375 -4.512 1.00 0.00 C ATOM 621 O LYS A 40 -2.377 -9.700 -4.340 1.00 0.00 O ATOM 622 CB LYS A 40 -3.254 -7.441 -6.075 1.00 0.00 C ATOM 623 CG LYS A 40 -1.787 -7.076 -5.892 1.00 0.00 C ATOM 624 CD LYS A 40 -1.119 -6.759 -7.218 1.00 0.00 C ATOM 625 CE LYS A 40 -0.015 -7.758 -7.535 1.00 0.00 C ATOM 626 NZ LYS A 40 -0.511 -9.161 -7.536 1.00 0.00 N ATOM 0 H LYS A 40 -2.662 -7.239 -3.282 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.019 -7.884 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.333 -8.220 -6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.790 -6.571 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.706 -6.215 -5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.264 -7.901 -5.409 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.863 -6.771 -8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.703 -5.752 -7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.415 -7.525 -8.509 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.785 -7.658 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.008 -9.707 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.342 -9.590 -6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.531 -9.169 -7.740 1.00 0.00 H new ATOM 640 N GLU A 41 -4.553 -10.241 -4.472 1.00 0.00 N ATOM 641 CA GLU A 41 -4.320 -11.665 -4.307 1.00 0.00 C ATOM 642 C GLU A 41 -3.886 -12.249 -5.641 1.00 0.00 C ATOM 643 O GLU A 41 -4.563 -12.073 -6.654 1.00 0.00 O ATOM 644 CB GLU A 41 -5.595 -12.353 -3.792 1.00 0.00 C ATOM 645 CG GLU A 41 -5.394 -13.779 -3.280 1.00 0.00 C ATOM 646 CD GLU A 41 -5.421 -14.836 -4.374 1.00 0.00 C ATOM 647 OE1 GLU A 41 -4.363 -15.114 -4.971 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.503 -15.406 -4.630 1.00 0.00 O ATOM 0 H GLU A 41 -5.536 -9.981 -4.552 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.532 -11.831 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.017 -11.750 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.331 -12.371 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.439 -13.836 -2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.171 -14.006 -2.550 1.00 0.00 H new ATOM 655 N VAL A 42 -2.738 -12.901 -5.648 1.00 0.00 N ATOM 656 CA VAL A 42 -2.223 -13.517 -6.853 1.00 0.00 C ATOM 657 C VAL A 42 -1.474 -14.793 -6.499 1.00 0.00 C ATOM 658 O VAL A 42 -0.733 -14.830 -5.514 1.00 0.00 O ATOM 659 CB VAL A 42 -1.296 -12.552 -7.633 1.00 0.00 C ATOM 660 CG1 VAL A 42 -0.066 -12.194 -6.811 1.00 0.00 C ATOM 661 CG2 VAL A 42 -0.893 -13.153 -8.973 1.00 0.00 C ATOM 0 H VAL A 42 -2.143 -13.017 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.068 -13.758 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.852 -11.634 -7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.568 -11.516 -7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.376 -11.709 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.492 -13.101 -6.577 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.242 -12.457 -9.503 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.363 -14.091 -8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.785 -13.342 -9.570 1.00 0.00 H new ATOM 671 N GLU A 43 -1.702 -15.845 -7.283 1.00 0.00 N ATOM 672 CA GLU A 43 -1.037 -17.124 -7.073 1.00 0.00 C ATOM 673 C GLU A 43 -1.481 -17.748 -5.754 1.00 0.00 C ATOM 674 O GLU A 43 -0.715 -18.468 -5.105 1.00 0.00 O ATOM 675 CB GLU A 43 0.484 -16.944 -7.103 1.00 0.00 C ATOM 676 CG GLU A 43 1.139 -17.549 -8.326 1.00 0.00 C ATOM 677 CD GLU A 43 0.950 -19.045 -8.372 1.00 0.00 C ATOM 678 OE1 GLU A 43 1.710 -19.762 -7.693 1.00 0.00 O ATOM 679 OE2 GLU A 43 0.018 -19.512 -9.056 1.00 0.00 O ATOM 0 H GLU A 43 -2.347 -15.833 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.320 -17.799 -7.881 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.717 -15.880 -7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.913 -17.397 -6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.717 -17.100 -9.225 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.204 -17.316 -8.323 1.00 0.00 H new ATOM 686 N ASN A 44 -2.735 -17.467 -5.384 1.00 0.00 N ATOM 687 CA ASN A 44 -3.337 -17.973 -4.148 1.00 0.00 C ATOM 688 C ASN A 44 -2.638 -17.347 -2.947 1.00 0.00 C ATOM 689 O ASN A 44 -2.528 -17.948 -1.876 1.00 0.00 O ATOM 690 CB ASN A 44 -3.256 -19.506 -4.093 1.00 0.00 C ATOM 691 CG ASN A 44 -4.336 -20.123 -3.220 1.00 0.00 C ATOM 692 OD1 ASN A 44 -5.434 -20.419 -3.697 1.00 0.00 O ATOM 693 ND2 ASN A 44 -4.034 -20.342 -1.950 1.00 0.00 N ATOM 0 H ASN A 44 -3.362 -16.881 -5.935 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.391 -17.697 -4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.340 -19.906 -5.103 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.277 -19.800 -3.714 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.721 -20.770 -1.329 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.114 -20.083 -1.592 1.00 0.00 H new ATOM 700 N ARG A 45 -2.171 -16.123 -3.138 1.00 0.00 N ATOM 701 CA ARG A 45 -1.415 -15.413 -2.119 1.00 0.00 C ATOM 702 C ARG A 45 -1.733 -13.923 -2.150 1.00 0.00 C ATOM 703 O ARG A 45 -1.382 -13.222 -3.100 1.00 0.00 O ATOM 704 CB ARG A 45 0.086 -15.636 -2.324 1.00 0.00 C ATOM 705 CG ARG A 45 0.544 -17.038 -1.962 1.00 0.00 C ATOM 706 CD ARG A 45 1.918 -17.340 -2.528 1.00 0.00 C ATOM 707 NE ARG A 45 2.435 -18.622 -2.056 1.00 0.00 N ATOM 708 CZ ARG A 45 2.216 -19.791 -2.663 1.00 0.00 C ATOM 709 NH1 ARG A 45 1.428 -19.857 -3.734 1.00 0.00 N ATOM 710 NH2 ARG A 45 2.775 -20.898 -2.190 1.00 0.00 N ATOM 0 H ARG A 45 -2.305 -15.596 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.702 -15.805 -1.143 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.336 -15.438 -3.366 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.638 -14.915 -1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.565 -17.146 -0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.174 -17.765 -2.341 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.868 -17.348 -3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.609 -16.545 -2.247 1.00 0.00 H new ATOM 0 HE ARG A 45 3.000 -18.624 -1.207 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.987 -19.011 -4.096 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.265 -20.753 -4.193 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.371 -20.855 -1.364 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.608 -21.791 -2.653 1.00 0.00 H new ATOM 724 N PRO A 46 -2.429 -13.428 -1.120 1.00 0.00 N ATOM 725 CA PRO A 46 -2.741 -12.009 -0.988 1.00 0.00 C ATOM 726 C PRO A 46 -1.489 -11.186 -0.713 1.00 0.00 C ATOM 727 O PRO A 46 -0.844 -11.349 0.321 1.00 0.00 O ATOM 728 CB PRO A 46 -3.700 -11.944 0.209 1.00 0.00 C ATOM 729 CG PRO A 46 -4.107 -13.355 0.475 1.00 0.00 C ATOM 730 CD PRO A 46 -2.973 -14.211 -0.005 1.00 0.00 C ATOM 0 HA PRO A 46 -3.173 -11.599 -1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.211 -11.506 1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.566 -11.322 -0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.293 -13.514 1.537 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.030 -13.600 -0.050 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.230 -14.374 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.316 -15.193 -0.329 1.00 0.00 H new ATOM 738 N ALA A 47 -1.136 -10.324 -1.648 1.00 0.00 N ATOM 739 CA ALA A 47 0.040 -9.487 -1.503 1.00 0.00 C ATOM 740 C ALA A 47 -0.311 -8.028 -1.759 1.00 0.00 C ATOM 741 O ALA A 47 -1.269 -7.732 -2.471 1.00 0.00 O ATOM 742 CB ALA A 47 1.127 -9.951 -2.456 1.00 0.00 C ATOM 0 H ALA A 47 -1.649 -10.185 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 47 0.411 -9.573 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.006 -9.317 -2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.392 -10.984 -2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.764 -9.885 -3.482 1.00 0.00 H new ATOM 748 N VAL A 48 0.467 -7.119 -1.196 1.00 0.00 N ATOM 749 CA VAL A 48 0.183 -5.698 -1.332 1.00 0.00 C ATOM 750 C VAL A 48 1.302 -5.002 -2.098 1.00 0.00 C ATOM 751 O VAL A 48 2.482 -5.251 -1.864 1.00 0.00 O ATOM 752 CB VAL A 48 -0.026 -5.028 0.050 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.196 -5.213 0.942 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.358 -3.549 -0.105 1.00 0.00 C ATOM 0 H VAL A 48 1.296 -7.336 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.745 -5.596 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.872 -5.519 0.531 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.020 -4.733 1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.377 -6.277 1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.066 -4.762 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.500 -3.103 0.879 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.461 -3.044 -0.618 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.273 -3.441 -0.688 1.00 0.00 H new ATOM 764 N SER A 49 0.925 -4.163 -3.044 1.00 0.00 N ATOM 765 CA SER A 49 1.899 -3.449 -3.848 1.00 0.00 C ATOM 766 C SER A 49 2.023 -2.003 -3.387 1.00 0.00 C ATOM 767 O SER A 49 1.033 -1.268 -3.349 1.00 0.00 O ATOM 768 CB SER A 49 1.507 -3.501 -5.324 1.00 0.00 C ATOM 769 OG SER A 49 1.292 -4.839 -5.745 1.00 0.00 O ATOM 0 H SER A 49 -0.047 -3.959 -3.275 1.00 0.00 H new ATOM 0 HA SER A 49 2.867 -3.933 -3.723 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.602 -2.915 -5.485 1.00 0.00 H new ATOM 0 HB3 SER A 49 2.292 -3.047 -5.929 1.00 0.00 H new ATOM 0 HG SER A 49 0.466 -5.180 -5.343 1.00 0.00 H new ATOM 775 N LEU A 50 3.236 -1.615 -3.026 1.00 0.00 N ATOM 776 CA LEU A 50 3.519 -0.248 -2.618 1.00 0.00 C ATOM 777 C LEU A 50 4.367 0.433 -3.685 1.00 0.00 C ATOM 778 O LEU A 50 4.725 -0.187 -4.690 1.00 0.00 O ATOM 779 CB LEU A 50 4.256 -0.199 -1.265 1.00 0.00 C ATOM 780 CG LEU A 50 3.468 -0.669 -0.031 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.257 -2.176 -0.047 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.190 -0.252 1.241 1.00 0.00 C ATOM 0 H LEU A 50 4.047 -2.234 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 50 2.569 0.273 -2.501 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.156 -0.808 -1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.580 0.827 -1.091 1.00 0.00 H new ATOM 0 HG LEU A 50 2.487 -0.194 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.697 -2.474 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.699 -2.456 -0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.224 -2.679 -0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.623 -0.590 2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.183 -0.701 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.282 0.834 1.268 1.00 0.00 H new ATOM 794 N LYS A 51 4.691 1.698 -3.466 1.00 0.00 N ATOM 795 CA LYS A 51 5.540 2.440 -4.384 1.00 0.00 C ATOM 796 C LYS A 51 7.000 2.325 -3.974 1.00 0.00 C ATOM 797 O LYS A 51 7.324 1.722 -2.947 1.00 0.00 O ATOM 798 CB LYS A 51 5.148 3.918 -4.404 1.00 0.00 C ATOM 799 CG LYS A 51 3.772 4.185 -4.979 1.00 0.00 C ATOM 800 CD LYS A 51 3.445 5.671 -4.944 1.00 0.00 C ATOM 801 CE LYS A 51 2.116 5.963 -5.609 1.00 0.00 C ATOM 802 NZ LYS A 51 1.763 7.405 -5.530 1.00 0.00 N ATOM 0 H LYS A 51 4.377 2.234 -2.657 1.00 0.00 H new ATOM 0 HA LYS A 51 5.406 2.014 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.187 4.307 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.886 4.471 -4.985 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.727 3.823 -6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.024 3.631 -4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.419 6.015 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.235 6.230 -5.446 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.157 5.656 -6.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.334 5.371 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.732 7.505 -5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.228 7.831 -4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.082 7.888 -6.394 1.00 0.00 H new ATOM 816 N THR A 52 7.876 2.909 -4.776 1.00 0.00 N ATOM 817 CA THR A 52 9.281 2.989 -4.439 1.00 0.00 C ATOM 818 C THR A 52 9.498 4.009 -3.322 1.00 0.00 C ATOM 819 O THR A 52 9.661 5.201 -3.573 1.00 0.00 O ATOM 820 CB THR A 52 10.118 3.357 -5.676 1.00 0.00 C ATOM 821 OG1 THR A 52 9.415 4.329 -6.466 1.00 0.00 O ATOM 822 CG2 THR A 52 10.406 2.121 -6.516 1.00 0.00 C ATOM 0 H THR A 52 7.633 3.336 -5.670 1.00 0.00 H new ATOM 0 HA THR A 52 9.608 2.011 -4.087 1.00 0.00 H new ATOM 0 HB THR A 52 11.066 3.778 -5.342 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.154 5.085 -5.899 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.999 2.403 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.959 1.396 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.466 1.678 -6.845 1.00 0.00 H new ATOM 830 N SER A 53 9.424 3.533 -2.090 1.00 0.00 N ATOM 831 CA SER A 53 9.619 4.369 -0.918 1.00 0.00 C ATOM 832 C SER A 53 10.895 3.938 -0.197 1.00 0.00 C ATOM 833 O SER A 53 11.395 2.854 -0.477 1.00 0.00 O ATOM 834 CB SER A 53 8.402 4.236 -0.004 1.00 0.00 C ATOM 835 OG SER A 53 7.202 4.406 -0.742 1.00 0.00 O ATOM 0 H SER A 53 9.227 2.556 -1.875 1.00 0.00 H new ATOM 0 HA SER A 53 9.725 5.414 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 53 8.405 3.257 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.455 4.980 0.791 1.00 0.00 H new ATOM 0 HG SER A 53 6.615 3.635 -0.595 1.00 0.00 H new ATOM 841 N PRO A 54 11.427 4.765 0.732 1.00 0.00 N ATOM 842 CA PRO A 54 12.692 4.498 1.436 1.00 0.00 C ATOM 843 C PRO A 54 12.938 3.019 1.757 1.00 0.00 C ATOM 844 O PRO A 54 13.840 2.397 1.193 1.00 0.00 O ATOM 845 CB PRO A 54 12.521 5.305 2.719 1.00 0.00 C ATOM 846 CG PRO A 54 11.735 6.500 2.300 1.00 0.00 C ATOM 847 CD PRO A 54 10.844 6.052 1.163 1.00 0.00 C ATOM 0 HA PRO A 54 13.555 4.768 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.996 4.731 3.483 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.485 5.591 3.141 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.141 6.884 3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 54 12.396 7.306 1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.811 5.932 1.490 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.839 6.779 0.351 1.00 0.00 H new ATOM 855 N GLU A 55 12.130 2.456 2.646 1.00 0.00 N ATOM 856 CA GLU A 55 12.294 1.062 3.054 1.00 0.00 C ATOM 857 C GLU A 55 11.994 0.097 1.911 1.00 0.00 C ATOM 858 O GLU A 55 12.631 -0.946 1.795 1.00 0.00 O ATOM 859 CB GLU A 55 11.397 0.736 4.251 1.00 0.00 C ATOM 860 CG GLU A 55 11.951 1.206 5.588 1.00 0.00 C ATOM 861 CD GLU A 55 12.174 2.703 5.649 1.00 0.00 C ATOM 862 OE1 GLU A 55 11.218 3.465 5.381 1.00 0.00 O ATOM 863 OE2 GLU A 55 13.304 3.124 5.982 1.00 0.00 O ATOM 0 H GLU A 55 11.355 2.940 3.099 1.00 0.00 H new ATOM 0 HA GLU A 55 13.338 0.936 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.420 1.192 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.242 -0.342 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.263 0.915 6.382 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.895 0.696 5.782 1.00 0.00 H new ATOM 870 N LEU A 56 11.037 0.452 1.067 1.00 0.00 N ATOM 871 CA LEU A 56 10.623 -0.418 -0.035 1.00 0.00 C ATOM 872 C LEU A 56 11.726 -0.530 -1.086 1.00 0.00 C ATOM 873 O LEU A 56 11.992 -1.612 -1.611 1.00 0.00 O ATOM 874 CB LEU A 56 9.329 0.094 -0.685 1.00 0.00 C ATOM 875 CG LEU A 56 8.041 -0.091 0.132 1.00 0.00 C ATOM 876 CD1 LEU A 56 7.881 -1.541 0.567 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.012 0.839 1.337 1.00 0.00 C ATOM 0 H LEU A 56 10.530 1.335 1.120 1.00 0.00 H new ATOM 0 HA LEU A 56 10.435 -1.408 0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.450 1.156 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.203 -0.411 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 56 7.200 0.170 -0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.962 -1.649 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.834 -2.182 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.732 -1.832 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.088 0.684 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.865 0.626 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.062 1.874 0.999 1.00 0.00 H new ATOM 889 N ALA A 57 12.369 0.590 -1.384 1.00 0.00 N ATOM 890 CA ALA A 57 13.468 0.612 -2.335 1.00 0.00 C ATOM 891 C ALA A 57 14.651 -0.170 -1.782 1.00 0.00 C ATOM 892 O ALA A 57 15.225 -1.016 -2.466 1.00 0.00 O ATOM 893 CB ALA A 57 13.870 2.044 -2.649 1.00 0.00 C ATOM 0 H ALA A 57 12.146 1.499 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 57 13.142 0.140 -3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.694 2.042 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.020 2.575 -3.078 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.185 2.543 -1.732 1.00 0.00 H new ATOM 899 N GLU A 58 14.986 0.108 -0.526 1.00 0.00 N ATOM 900 CA GLU A 58 16.066 -0.585 0.163 1.00 0.00 C ATOM 901 C GLU A 58 15.796 -2.083 0.243 1.00 0.00 C ATOM 902 O GLU A 58 16.710 -2.898 0.116 1.00 0.00 O ATOM 903 CB GLU A 58 16.236 -0.017 1.567 1.00 0.00 C ATOM 904 CG GLU A 58 16.863 1.369 1.589 1.00 0.00 C ATOM 905 CD GLU A 58 18.143 1.442 0.778 1.00 0.00 C ATOM 906 OE1 GLU A 58 19.146 0.826 1.184 1.00 0.00 O ATOM 907 OE2 GLU A 58 18.156 2.125 -0.267 1.00 0.00 O ATOM 0 H GLU A 58 14.518 0.817 0.039 1.00 0.00 H new ATOM 0 HA GLU A 58 16.983 -0.432 -0.406 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.262 0.026 2.053 1.00 0.00 H new ATOM 0 HB3 GLU A 58 16.855 -0.697 2.153 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.148 2.094 1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 58 17.074 1.652 2.620 1.00 0.00 H new ATOM 914 N LEU A 59 14.539 -2.426 0.469 1.00 0.00 N ATOM 915 CA LEU A 59 14.093 -3.811 0.471 1.00 0.00 C ATOM 916 C LEU A 59 14.522 -4.517 -0.813 1.00 0.00 C ATOM 917 O LEU A 59 15.137 -5.575 -0.766 1.00 0.00 O ATOM 918 CB LEU A 59 12.567 -3.865 0.614 1.00 0.00 C ATOM 919 CG LEU A 59 11.956 -5.266 0.658 1.00 0.00 C ATOM 920 CD1 LEU A 59 12.341 -5.980 1.944 1.00 0.00 C ATOM 921 CD2 LEU A 59 10.444 -5.192 0.518 1.00 0.00 C ATOM 0 H LEU A 59 13.797 -1.752 0.657 1.00 0.00 H new ATOM 0 HA LEU A 59 14.553 -4.323 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 59 12.287 -3.337 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.123 -3.320 -0.219 1.00 0.00 H new ATOM 0 HG LEU A 59 12.351 -5.839 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 59 11.896 -6.975 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.426 -6.067 2.001 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.977 -5.410 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.026 -6.198 0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.031 -4.600 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 59 10.189 -4.725 -0.433 1.00 0.00 H new ATOM 933 N LEU A 60 14.223 -3.907 -1.951 1.00 0.00 N ATOM 934 CA LEU A 60 14.568 -4.483 -3.248 1.00 0.00 C ATOM 935 C LEU A 60 16.085 -4.469 -3.471 1.00 0.00 C ATOM 936 O LEU A 60 16.633 -5.327 -4.163 1.00 0.00 O ATOM 937 CB LEU A 60 13.869 -3.704 -4.365 1.00 0.00 C ATOM 938 CG LEU A 60 12.976 -4.538 -5.290 1.00 0.00 C ATOM 939 CD1 LEU A 60 12.239 -3.639 -6.271 1.00 0.00 C ATOM 940 CD2 LEU A 60 13.799 -5.579 -6.039 1.00 0.00 C ATOM 0 H LEU A 60 13.741 -3.010 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 60 14.231 -5.520 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 60 13.262 -2.920 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 60 14.629 -3.210 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 60 12.241 -5.059 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 60 11.610 -4.248 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.617 -2.933 -5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.962 -3.091 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 60 13.146 -6.160 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 60 14.558 -5.079 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 60 14.283 -6.244 -5.324 1.00 0.00 H new ATOM 952 N ARG A 61 16.750 -3.485 -2.883 1.00 0.00 N ATOM 953 CA ARG A 61 18.190 -3.315 -3.048 1.00 0.00 C ATOM 954 C ARG A 61 18.975 -4.374 -2.271 1.00 0.00 C ATOM 955 O ARG A 61 19.937 -4.947 -2.786 1.00 0.00 O ATOM 956 CB ARG A 61 18.601 -1.913 -2.591 1.00 0.00 C ATOM 957 CG ARG A 61 18.093 -0.804 -3.501 1.00 0.00 C ATOM 958 CD ARG A 61 19.032 -0.566 -4.673 1.00 0.00 C ATOM 959 NE ARG A 61 20.246 0.139 -4.258 1.00 0.00 N ATOM 960 CZ ARG A 61 21.262 0.424 -5.070 1.00 0.00 C ATOM 961 NH1 ARG A 61 21.255 0.007 -6.330 1.00 0.00 N ATOM 962 NH2 ARG A 61 22.297 1.117 -4.615 1.00 0.00 N ATOM 0 H ARG A 61 16.313 -2.786 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 61 18.426 -3.438 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 61 18.226 -1.744 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 61 19.689 -1.860 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 61 17.103 -1.065 -3.875 1.00 0.00 H new ATOM 0 HG3 ARG A 61 17.985 0.117 -2.928 1.00 0.00 H new ATOM 0 HD2 ARG A 61 19.302 -1.521 -5.123 1.00 0.00 H new ATOM 0 HD3 ARG A 61 18.518 0.014 -5.439 1.00 0.00 H new ATOM 0 HE ARG A 61 20.318 0.431 -3.283 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.467 -0.536 -6.683 1.00 0.00 H new ATOM 0 HH12 ARG A 61 22.037 0.230 -6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 61 22.314 1.431 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 61 23.076 1.336 -5.235 1.00 0.00 H new ATOM 976 N GLN A 62 18.569 -4.631 -1.036 1.00 0.00 N ATOM 977 CA GLN A 62 19.295 -5.563 -0.178 1.00 0.00 C ATOM 978 C GLN A 62 18.693 -6.965 -0.213 1.00 0.00 C ATOM 979 O GLN A 62 19.406 -7.946 -0.432 1.00 0.00 O ATOM 980 CB GLN A 62 19.338 -5.060 1.270 1.00 0.00 C ATOM 981 CG GLN A 62 20.435 -4.040 1.553 1.00 0.00 C ATOM 982 CD GLN A 62 20.240 -2.718 0.836 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.739 -2.514 -0.274 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.507 -1.814 1.465 1.00 0.00 N ATOM 0 H GLN A 62 17.745 -4.211 -0.605 1.00 0.00 H new ATOM 0 HA GLN A 62 20.310 -5.619 -0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.374 -4.615 1.515 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.473 -5.914 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.480 -3.857 2.627 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.396 -4.463 1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.113 -2.025 2.382 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.335 -0.906 1.033 1.00 0.00 H new ATOM 993 N GLN A 63 17.386 -7.058 -0.010 1.00 0.00 N ATOM 994 CA GLN A 63 16.723 -8.352 0.100 1.00 0.00 C ATOM 995 C GLN A 63 16.594 -9.017 -1.262 1.00 0.00 C ATOM 996 O GLN A 63 15.691 -8.710 -2.037 1.00 0.00 O ATOM 997 CB GLN A 63 15.343 -8.205 0.746 1.00 0.00 C ATOM 998 CG GLN A 63 15.387 -7.668 2.167 1.00 0.00 C ATOM 999 CD GLN A 63 15.968 -8.655 3.157 1.00 0.00 C ATOM 1000 OE1 GLN A 63 17.176 -8.685 3.390 1.00 0.00 O ATOM 1001 NE2 GLN A 63 15.107 -9.454 3.767 1.00 0.00 N ATOM 0 H GLN A 63 16.764 -6.255 0.082 1.00 0.00 H new ATOM 0 HA GLN A 63 17.340 -8.986 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.734 -7.539 0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.848 -9.176 0.749 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.979 -6.753 2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.378 -7.401 2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.113 -9.397 3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.437 -10.126 4.459 1.00 0.00 H new ATOM 1010 N HIS A 64 17.517 -9.918 -1.556 1.00 0.00 N ATOM 1011 CA HIS A 64 17.456 -10.693 -2.785 1.00 0.00 C ATOM 1012 C HIS A 64 16.573 -11.915 -2.576 1.00 0.00 C ATOM 1013 O HIS A 64 16.053 -12.497 -3.529 1.00 0.00 O ATOM 1014 CB HIS A 64 18.862 -11.097 -3.269 1.00 0.00 C ATOM 1015 CG HIS A 64 19.684 -11.856 -2.268 1.00 0.00 C ATOM 1016 ND1 HIS A 64 20.308 -11.443 -1.139 1.00 0.00 N flip ATOM 1017 CD2 HIS A 64 19.968 -13.199 -2.387 1.00 0.00 C flip ATOM 1018 CE1 HIS A 64 20.946 -12.532 -0.605 1.00 0.00 C flip ATOM 1019 NE2 HIS A 64 20.724 -13.578 -1.376 1.00 0.00 N flip ATOM 0 H HIS A 64 18.317 -10.131 -0.961 1.00 0.00 H new ATOM 0 HA HIS A 64 17.019 -10.071 -3.566 1.00 0.00 H new ATOM 0 HB2 HIS A 64 18.760 -11.705 -4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 64 19.405 -10.196 -3.554 1.00 0.00 H new ATOM 0 HD2 HIS A 64 19.625 -13.841 -3.185 1.00 0.00 H new ATOM 0 HE1 HIS A 64 21.535 -12.533 0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 64 21.078 -14.521 -1.217 1.00 0.00 H new ATOM 1028 N SER A 65 16.400 -12.285 -1.315 1.00 0.00 N ATOM 1029 CA SER A 65 15.507 -13.364 -0.941 1.00 0.00 C ATOM 1030 C SER A 65 14.235 -12.781 -0.332 1.00 0.00 C ATOM 1031 O SER A 65 14.088 -11.557 -0.273 1.00 0.00 O ATOM 1032 CB SER A 65 16.199 -14.287 0.061 1.00 0.00 C ATOM 1033 OG SER A 65 17.485 -14.669 -0.404 1.00 0.00 O ATOM 0 H SER A 65 16.875 -11.845 -0.527 1.00 0.00 H new ATOM 0 HA SER A 65 15.246 -13.944 -1.826 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.291 -13.782 1.023 1.00 0.00 H new ATOM 0 HB3 SER A 65 15.589 -15.175 0.224 1.00 0.00 H new ATOM 0 HG SER A 65 17.909 -15.258 0.254 1.00 0.00 H new ATOM 1039 N ASP A 66 13.330 -13.653 0.110 1.00 0.00 N ATOM 1040 CA ASP A 66 12.083 -13.244 0.766 1.00 0.00 C ATOM 1041 C ASP A 66 11.117 -12.576 -0.202 1.00 0.00 C ATOM 1042 O ASP A 66 10.103 -13.165 -0.580 1.00 0.00 O ATOM 1043 CB ASP A 66 12.353 -12.320 1.956 1.00 0.00 C ATOM 1044 CG ASP A 66 12.051 -12.988 3.276 1.00 0.00 C ATOM 1045 OD1 ASP A 66 12.833 -13.866 3.693 1.00 0.00 O ATOM 1046 OD2 ASP A 66 11.029 -12.642 3.899 1.00 0.00 O ATOM 0 H ASP A 66 13.438 -14.664 0.025 1.00 0.00 H new ATOM 0 HA ASP A 66 11.615 -14.158 1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.396 -12.005 1.940 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.747 -11.419 1.859 1.00 0.00 H new ATOM 1051 N VAL A 67 11.438 -11.359 -0.613 1.00 0.00 N ATOM 1052 CA VAL A 67 10.548 -10.583 -1.456 1.00 0.00 C ATOM 1053 C VAL A 67 10.389 -11.222 -2.838 1.00 0.00 C ATOM 1054 O VAL A 67 11.367 -11.514 -3.536 1.00 0.00 O ATOM 1055 CB VAL A 67 11.022 -9.114 -1.588 1.00 0.00 C ATOM 1056 CG1 VAL A 67 12.424 -9.030 -2.174 1.00 0.00 C ATOM 1057 CG2 VAL A 67 10.048 -8.302 -2.429 1.00 0.00 C ATOM 0 H VAL A 67 12.311 -10.888 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 67 9.573 -10.578 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 67 11.051 -8.691 -0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.724 -7.985 -2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.122 -9.560 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.432 -9.485 -3.165 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.403 -7.274 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.977 -8.738 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.065 -8.311 -1.958 1.00 0.00 H new ATOM 1067 N ARG A 68 9.144 -11.475 -3.204 1.00 0.00 N ATOM 1068 CA ARG A 68 8.814 -11.990 -4.519 1.00 0.00 C ATOM 1069 C ARG A 68 8.020 -10.937 -5.281 1.00 0.00 C ATOM 1070 O ARG A 68 6.838 -10.730 -5.009 1.00 0.00 O ATOM 1071 CB ARG A 68 8.002 -13.283 -4.401 1.00 0.00 C ATOM 1072 CG ARG A 68 8.735 -14.422 -3.700 1.00 0.00 C ATOM 1073 CD ARG A 68 9.721 -15.128 -4.625 1.00 0.00 C ATOM 1074 NE ARG A 68 10.808 -14.258 -5.073 1.00 0.00 N ATOM 1075 CZ ARG A 68 11.423 -14.389 -6.248 1.00 0.00 C ATOM 1076 NH1 ARG A 68 11.073 -15.366 -7.081 1.00 0.00 N ATOM 1077 NH2 ARG A 68 12.407 -13.558 -6.576 1.00 0.00 N ATOM 0 H ARG A 68 8.336 -11.329 -2.599 1.00 0.00 H new ATOM 0 HA ARG A 68 9.734 -12.216 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.080 -13.071 -3.859 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.716 -13.611 -5.400 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.269 -14.030 -2.834 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.009 -15.144 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.143 -15.990 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.186 -15.509 -5.495 1.00 0.00 H new ATOM 0 HE ARG A 68 11.112 -13.509 -4.451 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.332 -16.017 -6.821 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.546 -15.464 -7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.690 -12.822 -5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.879 -13.656 -7.475 1.00 0.00 H new ATOM 1091 N PRO A 69 8.671 -10.226 -6.214 1.00 0.00 N ATOM 1092 CA PRO A 69 8.036 -9.148 -6.970 1.00 0.00 C ATOM 1093 C PRO A 69 6.984 -9.670 -7.943 1.00 0.00 C ATOM 1094 O PRO A 69 7.284 -9.971 -9.099 1.00 0.00 O ATOM 1095 CB PRO A 69 9.195 -8.486 -7.732 1.00 0.00 C ATOM 1096 CG PRO A 69 10.444 -9.060 -7.146 1.00 0.00 C ATOM 1097 CD PRO A 69 10.073 -10.410 -6.606 1.00 0.00 C ATOM 0 HA PRO A 69 7.506 -8.458 -6.314 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.132 -8.695 -8.800 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.171 -7.402 -7.617 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.225 -9.145 -7.902 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.833 -8.418 -6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.184 -11.191 -7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.697 -10.692 -5.758 1.00 0.00 H new ATOM 1105 N SER A 70 5.754 -9.785 -7.465 1.00 0.00 N ATOM 1106 CA SER A 70 4.666 -10.305 -8.280 1.00 0.00 C ATOM 1107 C SER A 70 3.946 -9.155 -8.969 1.00 0.00 C ATOM 1108 O SER A 70 2.801 -8.819 -8.645 1.00 0.00 O ATOM 1109 CB SER A 70 3.691 -11.121 -7.428 1.00 0.00 C ATOM 1110 OG SER A 70 2.739 -11.791 -8.239 1.00 0.00 O ATOM 0 H SER A 70 5.484 -9.525 -6.516 1.00 0.00 H new ATOM 0 HA SER A 70 5.081 -10.968 -9.039 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.244 -11.849 -6.834 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.177 -10.463 -6.727 1.00 0.00 H new ATOM 0 HG SER A 70 2.463 -12.623 -7.800 1.00 0.00 H new ATOM 1116 N ARG A 71 4.637 -8.539 -9.909 1.00 0.00 N ATOM 1117 CA ARG A 71 4.102 -7.404 -10.629 1.00 0.00 C ATOM 1118 C ARG A 71 4.148 -7.674 -12.124 1.00 0.00 C ATOM 1119 O ARG A 71 5.219 -7.739 -12.721 1.00 0.00 O ATOM 1120 CB ARG A 71 4.899 -6.140 -10.291 1.00 0.00 C ATOM 1121 CG ARG A 71 4.220 -4.852 -10.728 1.00 0.00 C ATOM 1122 CD ARG A 71 2.944 -4.610 -9.941 1.00 0.00 C ATOM 1123 NE ARG A 71 2.259 -3.385 -10.354 1.00 0.00 N ATOM 1124 CZ ARG A 71 1.173 -2.900 -9.750 1.00 0.00 C ATOM 1125 NH1 ARG A 71 0.670 -3.518 -8.685 1.00 0.00 N ATOM 1126 NH2 ARG A 71 0.599 -1.787 -10.198 1.00 0.00 N ATOM 0 H ARG A 71 5.579 -8.810 -10.192 1.00 0.00 H new ATOM 0 HA ARG A 71 3.065 -7.249 -10.330 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.067 -6.104 -9.215 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.879 -6.202 -10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.901 -4.013 -10.588 1.00 0.00 H new ATOM 0 HG3 ARG A 71 3.990 -4.902 -11.792 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.274 -5.460 -10.071 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.181 -4.550 -8.879 1.00 0.00 H new ATOM 0 HE ARG A 71 2.634 -2.871 -11.151 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.115 -4.364 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.160 -3.146 -8.224 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.989 -1.302 -11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.231 -1.419 -9.734 1.00 0.00 H new ATOM 1140 N HIS A 72 2.982 -7.872 -12.717 1.00 0.00 N ATOM 1141 CA HIS A 72 2.894 -8.066 -14.156 1.00 0.00 C ATOM 1142 C HIS A 72 2.867 -6.705 -14.844 1.00 0.00 C ATOM 1143 O HIS A 72 3.069 -6.593 -16.050 1.00 0.00 O ATOM 1144 CB HIS A 72 1.656 -8.893 -14.518 1.00 0.00 C ATOM 1145 CG HIS A 72 1.690 -9.454 -15.909 1.00 0.00 C ATOM 1146 ND1 HIS A 72 0.556 -9.779 -16.618 1.00 0.00 N ATOM 1147 CD2 HIS A 72 2.735 -9.768 -16.712 1.00 0.00 C ATOM 1148 CE1 HIS A 72 0.899 -10.262 -17.796 1.00 0.00 C ATOM 1149 NE2 HIS A 72 2.216 -10.267 -17.880 1.00 0.00 N ATOM 0 H HIS A 72 2.087 -7.903 -12.228 1.00 0.00 H new ATOM 0 HA HIS A 72 3.767 -8.620 -14.500 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.558 -9.714 -13.807 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.769 -8.269 -14.409 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.782 -9.648 -16.476 1.00 0.00 H new ATOM 0 HE1 HIS A 72 0.217 -10.597 -18.563 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.759 -10.589 -18.681 1.00 0.00 H new ATOM 1158 N LEU A 73 2.600 -5.674 -14.052 1.00 0.00 N ATOM 1159 CA LEU A 73 2.652 -4.300 -14.527 1.00 0.00 C ATOM 1160 C LEU A 73 4.068 -3.749 -14.330 1.00 0.00 C ATOM 1161 O LEU A 73 5.021 -4.523 -14.228 1.00 0.00 O ATOM 1162 CB LEU A 73 1.630 -3.446 -13.766 1.00 0.00 C ATOM 1163 CG LEU A 73 0.173 -3.899 -13.900 1.00 0.00 C ATOM 1164 CD1 LEU A 73 -0.751 -2.986 -13.113 1.00 0.00 C ATOM 1165 CD2 LEU A 73 -0.243 -3.943 -15.364 1.00 0.00 C ATOM 0 H LEU A 73 2.343 -5.767 -13.069 1.00 0.00 H new ATOM 0 HA LEU A 73 2.404 -4.269 -15.588 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.897 -3.444 -12.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.707 -2.417 -14.117 1.00 0.00 H new ATOM 0 HG LEU A 73 0.092 -4.905 -13.488 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.780 -3.327 -13.223 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.473 -3.007 -12.059 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.664 -1.967 -13.491 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.281 -4.267 -15.438 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.141 -2.950 -15.801 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.395 -4.644 -15.903 1.00 0.00 H new ATOM 1177 N ASN A 74 4.201 -2.423 -14.284 1.00 0.00 N ATOM 1178 CA ASN A 74 5.497 -1.771 -14.052 1.00 0.00 C ATOM 1179 C ASN A 74 6.218 -2.347 -12.837 1.00 0.00 C ATOM 1180 O ASN A 74 5.762 -2.197 -11.701 1.00 0.00 O ATOM 1181 CB ASN A 74 5.319 -0.262 -13.856 1.00 0.00 C ATOM 1182 CG ASN A 74 5.116 0.478 -15.159 1.00 0.00 C ATOM 1183 OD1 ASN A 74 3.990 0.635 -15.628 1.00 0.00 O ATOM 1184 ND2 ASN A 74 6.207 0.948 -15.745 1.00 0.00 N ATOM 0 H ASN A 74 3.424 -1.773 -14.405 1.00 0.00 H new ATOM 0 HA ASN A 74 6.104 -1.960 -14.937 1.00 0.00 H new ATOM 0 HB2 ASN A 74 4.463 -0.083 -13.205 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.196 0.140 -13.348 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.133 1.464 -16.622 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.121 0.794 -15.320 1.00 0.00 H new ATOM 1191 N LYS A 75 7.345 -3.001 -13.093 1.00 0.00 N ATOM 1192 CA LYS A 75 8.160 -3.590 -12.039 1.00 0.00 C ATOM 1193 C LYS A 75 8.930 -2.513 -11.287 1.00 0.00 C ATOM 1194 O LYS A 75 8.873 -2.431 -10.061 1.00 0.00 O ATOM 1195 CB LYS A 75 9.132 -4.614 -12.634 1.00 0.00 C ATOM 1196 CG LYS A 75 8.449 -5.870 -13.152 1.00 0.00 C ATOM 1197 CD LYS A 75 8.100 -6.818 -12.017 1.00 0.00 C ATOM 1198 CE LYS A 75 9.302 -7.641 -11.582 1.00 0.00 C ATOM 1199 NZ LYS A 75 9.743 -8.575 -12.653 1.00 0.00 N ATOM 0 H LYS A 75 7.718 -3.137 -14.033 1.00 0.00 H new ATOM 0 HA LYS A 75 7.499 -4.095 -11.335 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.684 -4.148 -13.450 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.862 -4.894 -11.874 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.542 -5.597 -13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.103 -6.375 -13.862 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.724 -6.247 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.298 -7.485 -12.333 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.124 -6.975 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.051 -8.207 -10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.287 -9.355 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.910 -8.960 -13.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.340 -8.065 -13.334 1.00 0.00 H new ATOM 1213 N ALA A 76 9.639 -1.674 -12.027 1.00 0.00 N ATOM 1214 CA ALA A 76 10.416 -0.605 -11.421 1.00 0.00 C ATOM 1215 C ALA A 76 9.552 0.631 -11.184 1.00 0.00 C ATOM 1216 O ALA A 76 9.740 1.671 -11.822 1.00 0.00 O ATOM 1217 CB ALA A 76 11.625 -0.266 -12.281 1.00 0.00 C ATOM 0 H ALA A 76 9.692 -1.713 -13.045 1.00 0.00 H new ATOM 0 HA ALA A 76 10.775 -0.953 -10.452 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.193 0.536 -11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.258 -1.148 -12.383 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.291 0.057 -13.267 1.00 0.00 H new ATOM 1223 N HIS A 77 8.582 0.491 -10.287 1.00 0.00 N ATOM 1224 CA HIS A 77 7.702 1.590 -9.899 1.00 0.00 C ATOM 1225 C HIS A 77 6.772 1.117 -8.794 1.00 0.00 C ATOM 1226 O HIS A 77 6.506 1.838 -7.834 1.00 0.00 O ATOM 1227 CB HIS A 77 6.877 2.098 -11.090 1.00 0.00 C ATOM 1228 CG HIS A 77 6.238 3.435 -10.852 1.00 0.00 C ATOM 1229 ND1 HIS A 77 6.770 4.611 -11.331 1.00 0.00 N ATOM 1230 CD2 HIS A 77 5.110 3.779 -10.188 1.00 0.00 C ATOM 1231 CE1 HIS A 77 6.000 5.619 -10.972 1.00 0.00 C ATOM 1232 NE2 HIS A 77 4.984 5.143 -10.278 1.00 0.00 N ATOM 0 H HIS A 77 8.383 -0.387 -9.808 1.00 0.00 H new ATOM 0 HA HIS A 77 8.318 2.416 -9.545 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.522 2.164 -11.966 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.100 1.369 -11.320 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.435 3.106 -9.681 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.172 6.659 -11.206 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.229 5.697 -9.875 1.00 0.00 H new ATOM 1241 N TRP A 78 6.275 -0.101 -8.952 1.00 0.00 N ATOM 1242 CA TRP A 78 5.428 -0.725 -7.951 1.00 0.00 C ATOM 1243 C TRP A 78 6.076 -2.016 -7.476 1.00 0.00 C ATOM 1244 O TRP A 78 6.579 -2.793 -8.285 1.00 0.00 O ATOM 1245 CB TRP A 78 4.043 -1.039 -8.527 1.00 0.00 C ATOM 1246 CG TRP A 78 3.325 0.143 -9.106 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.354 0.562 -10.405 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.463 1.051 -8.409 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.565 1.675 -10.560 1.00 0.00 N ATOM 1250 CE2 TRP A 78 2.007 1.995 -9.348 1.00 0.00 C ATOM 1251 CE3 TRP A 78 2.032 1.159 -7.083 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 1.142 3.031 -9.004 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 1.173 2.187 -6.743 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.738 3.111 -7.700 1.00 0.00 C ATOM 0 H TRP A 78 6.447 -0.680 -9.774 1.00 0.00 H new ATOM 0 HA TRP A 78 5.311 -0.033 -7.117 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.150 -1.798 -9.302 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.426 -1.472 -7.740 1.00 0.00 H new ATOM 0 HD1 TRP A 78 3.916 0.087 -11.196 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.418 2.181 -11.433 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.365 0.452 -6.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.803 3.745 -9.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.832 2.279 -5.722 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.069 3.905 -7.402 1.00 0.00 H new ATOM 1265 N SER A 79 6.057 -2.253 -6.181 1.00 0.00 N ATOM 1266 CA SER A 79 6.646 -3.463 -5.635 1.00 0.00 C ATOM 1267 C SER A 79 5.626 -4.208 -4.799 1.00 0.00 C ATOM 1268 O SER A 79 5.004 -3.648 -3.893 1.00 0.00 O ATOM 1269 CB SER A 79 7.876 -3.126 -4.794 1.00 0.00 C ATOM 1270 OG SER A 79 8.787 -2.327 -5.528 1.00 0.00 O ATOM 0 H SER A 79 5.643 -1.629 -5.488 1.00 0.00 H new ATOM 0 HA SER A 79 6.957 -4.102 -6.461 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.570 -2.599 -3.890 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.367 -4.046 -4.476 1.00 0.00 H new ATOM 0 HG SER A 79 9.566 -2.122 -4.970 1.00 0.00 H new ATOM 1276 N THR A 80 5.448 -5.470 -5.126 1.00 0.00 N ATOM 1277 CA THR A 80 4.469 -6.303 -4.462 1.00 0.00 C ATOM 1278 C THR A 80 5.114 -7.078 -3.321 1.00 0.00 C ATOM 1279 O THR A 80 5.983 -7.922 -3.541 1.00 0.00 O ATOM 1280 CB THR A 80 3.830 -7.280 -5.465 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.354 -6.555 -6.608 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.676 -8.039 -4.832 1.00 0.00 C ATOM 0 H THR A 80 5.976 -5.946 -5.857 1.00 0.00 H new ATOM 0 HA THR A 80 3.692 -5.658 -4.052 1.00 0.00 H new ATOM 0 HB THR A 80 4.590 -8.000 -5.770 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.633 -5.950 -6.335 1.00 0.00 H new ATOM 0 HG21 THR A 80 2.244 -8.721 -5.564 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.040 -8.608 -3.976 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.914 -7.333 -4.501 1.00 0.00 H new ATOM 1290 N VAL A 81 4.693 -6.772 -2.106 1.00 0.00 N ATOM 1291 CA VAL A 81 5.216 -7.430 -0.926 1.00 0.00 C ATOM 1292 C VAL A 81 4.425 -8.697 -0.637 1.00 0.00 C ATOM 1293 O VAL A 81 3.223 -8.641 -0.367 1.00 0.00 O ATOM 1294 CB VAL A 81 5.165 -6.503 0.307 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.737 -7.201 1.531 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.912 -5.201 0.032 1.00 0.00 C ATOM 0 H VAL A 81 3.984 -6.065 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 81 6.257 -7.683 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 81 4.121 -6.263 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.691 -6.529 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.156 -8.099 1.742 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.774 -7.476 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.864 -4.561 0.913 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.954 -5.421 -0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.452 -4.689 -0.813 1.00 0.00 H new ATOM 1306 N TYR A 82 5.098 -9.833 -0.720 1.00 0.00 N ATOM 1307 CA TYR A 82 4.468 -11.119 -0.462 1.00 0.00 C ATOM 1308 C TYR A 82 4.180 -11.294 1.021 1.00 0.00 C ATOM 1309 O TYR A 82 5.091 -11.300 1.845 1.00 0.00 O ATOM 1310 CB TYR A 82 5.359 -12.259 -0.962 1.00 0.00 C ATOM 1311 CG TYR A 82 4.844 -12.927 -2.216 1.00 0.00 C ATOM 1312 CD1 TYR A 82 4.449 -12.179 -3.317 1.00 0.00 C ATOM 1313 CD2 TYR A 82 4.764 -14.312 -2.299 1.00 0.00 C ATOM 1314 CE1 TYR A 82 3.982 -12.793 -4.463 1.00 0.00 C ATOM 1315 CE2 TYR A 82 4.297 -14.932 -3.441 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.909 -14.168 -4.521 1.00 0.00 C ATOM 1317 OH TYR A 82 3.448 -14.781 -5.664 1.00 0.00 O ATOM 0 H TYR A 82 6.086 -9.891 -0.965 1.00 0.00 H new ATOM 0 HA TYR A 82 3.522 -11.147 -1.002 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.359 -11.870 -1.153 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.453 -13.007 -0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.508 -11.101 -3.277 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.072 -14.913 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 82 3.675 -12.198 -5.310 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.236 -16.009 -3.488 1.00 0.00 H new ATOM 0 HH TYR A 82 3.460 -15.753 -5.542 1.00 0.00 H new ATOM 1327 N LEU A 83 2.904 -11.436 1.355 1.00 0.00 N ATOM 1328 CA LEU A 83 2.500 -11.668 2.735 1.00 0.00 C ATOM 1329 C LEU A 83 2.531 -13.160 3.042 1.00 0.00 C ATOM 1330 O LEU A 83 2.036 -13.613 4.072 1.00 0.00 O ATOM 1331 CB LEU A 83 1.100 -11.099 2.986 1.00 0.00 C ATOM 1332 CG LEU A 83 0.952 -9.600 2.709 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.469 -9.141 2.991 1.00 0.00 C ATOM 1334 CD2 LEU A 83 1.947 -8.801 3.539 1.00 0.00 C ATOM 0 H LEU A 83 2.132 -11.395 0.690 1.00 0.00 H new ATOM 0 HA LEU A 83 3.200 -11.158 3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.387 -11.640 2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.827 -11.290 4.024 1.00 0.00 H new ATOM 0 HG LEU A 83 1.166 -9.424 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.554 -8.073 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.162 -9.688 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.712 -9.332 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.826 -7.738 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.767 -8.984 4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.962 -9.108 3.286 1.00 0.00 H new ATOM 1346 N ASP A 84 3.146 -13.916 2.141 1.00 0.00 N ATOM 1347 CA ASP A 84 3.239 -15.363 2.273 1.00 0.00 C ATOM 1348 C ASP A 84 4.420 -15.732 3.165 1.00 0.00 C ATOM 1349 O ASP A 84 5.464 -16.179 2.690 1.00 0.00 O ATOM 1350 CB ASP A 84 3.370 -16.019 0.893 1.00 0.00 C ATOM 1351 CG ASP A 84 3.367 -17.536 0.950 1.00 0.00 C ATOM 1352 OD1 ASP A 84 2.664 -18.102 1.808 1.00 0.00 O ATOM 1353 OD2 ASP A 84 4.042 -18.169 0.109 1.00 0.00 O ATOM 0 H ASP A 84 3.592 -13.545 1.302 1.00 0.00 H new ATOM 0 HA ASP A 84 2.326 -15.735 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.549 -15.684 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.294 -15.681 0.423 1.00 0.00 H new ATOM 1358 N GLY A 85 4.255 -15.472 4.457 1.00 0.00 N ATOM 1359 CA GLY A 85 5.265 -15.829 5.439 1.00 0.00 C ATOM 1360 C GLY A 85 6.569 -15.069 5.269 1.00 0.00 C ATOM 1361 O GLY A 85 7.648 -15.634 5.450 1.00 0.00 O ATOM 0 H GLY A 85 3.430 -15.015 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.872 -15.641 6.438 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.465 -16.898 5.371 1.00 0.00 H new ATOM 1365 N SER A 86 6.476 -13.793 4.924 1.00 0.00 N ATOM 1366 CA SER A 86 7.664 -12.972 4.743 1.00 0.00 C ATOM 1367 C SER A 86 7.786 -11.944 5.868 1.00 0.00 C ATOM 1368 O SER A 86 8.502 -12.164 6.845 1.00 0.00 O ATOM 1369 CB SER A 86 7.632 -12.284 3.373 1.00 0.00 C ATOM 1370 OG SER A 86 8.792 -11.497 3.159 1.00 0.00 O ATOM 0 H SER A 86 5.594 -13.306 4.764 1.00 0.00 H new ATOM 0 HA SER A 86 8.542 -13.617 4.781 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.552 -13.037 2.589 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.745 -11.654 3.302 1.00 0.00 H new ATOM 0 HG SER A 86 9.519 -11.825 3.728 1.00 0.00 H new ATOM 1376 N LEU A 87 7.066 -10.836 5.742 1.00 0.00 N ATOM 1377 CA LEU A 87 7.131 -9.773 6.735 1.00 0.00 C ATOM 1378 C LEU A 87 6.137 -10.025 7.863 1.00 0.00 C ATOM 1379 O LEU A 87 5.046 -10.543 7.634 1.00 0.00 O ATOM 1380 CB LEU A 87 6.860 -8.410 6.089 1.00 0.00 C ATOM 1381 CG LEU A 87 7.915 -7.947 5.082 1.00 0.00 C ATOM 1382 CD1 LEU A 87 7.563 -6.572 4.542 1.00 0.00 C ATOM 1383 CD2 LEU A 87 9.296 -7.930 5.720 1.00 0.00 C ATOM 0 H LEU A 87 6.432 -10.651 4.964 1.00 0.00 H new ATOM 0 HA LEU A 87 8.137 -9.766 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.893 -8.449 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.779 -7.661 6.877 1.00 0.00 H new ATOM 0 HG LEU A 87 7.931 -8.653 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.323 -6.256 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.593 -6.613 4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.520 -5.858 5.365 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.031 -7.598 4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.296 -7.247 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.551 -8.933 6.061 1.00 0.00 H new ATOM 1395 N PRO A 88 6.516 -9.666 9.100 1.00 0.00 N ATOM 1396 CA PRO A 88 5.657 -9.840 10.275 1.00 0.00 C ATOM 1397 C PRO A 88 4.470 -8.875 10.283 1.00 0.00 C ATOM 1398 O PRO A 88 4.448 -7.889 9.541 1.00 0.00 O ATOM 1399 CB PRO A 88 6.592 -9.540 11.446 1.00 0.00 C ATOM 1400 CG PRO A 88 7.634 -8.641 10.879 1.00 0.00 C ATOM 1401 CD PRO A 88 7.819 -9.071 9.451 1.00 0.00 C ATOM 0 HA PRO A 88 5.213 -10.835 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.058 -9.059 12.266 1.00 0.00 H new ATOM 0 HB3 PRO A 88 7.032 -10.454 11.845 1.00 0.00 H new ATOM 0 HG2 PRO A 88 7.322 -7.598 10.935 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.567 -8.725 11.436 1.00 0.00 H new ATOM 0 HD2 PRO A 88 8.062 -8.227 8.806 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.630 -9.792 9.351 1.00 0.00 H new ATOM 1409 N ASP A 89 3.503 -9.152 11.148 1.00 0.00 N ATOM 1410 CA ASP A 89 2.288 -8.344 11.247 1.00 0.00 C ATOM 1411 C ASP A 89 2.604 -6.950 11.778 1.00 0.00 C ATOM 1412 O ASP A 89 1.900 -5.986 11.480 1.00 0.00 O ATOM 1413 CB ASP A 89 1.263 -9.034 12.156 1.00 0.00 C ATOM 1414 CG ASP A 89 1.749 -9.184 13.585 1.00 0.00 C ATOM 1415 OD1 ASP A 89 2.756 -9.890 13.800 1.00 0.00 O ATOM 1416 OD2 ASP A 89 1.130 -8.601 14.498 1.00 0.00 O ATOM 0 H ASP A 89 3.535 -9.937 11.798 1.00 0.00 H new ATOM 0 HA ASP A 89 1.865 -8.243 10.248 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.336 -8.460 12.151 1.00 0.00 H new ATOM 0 HB3 ASP A 89 1.031 -10.019 11.751 1.00 0.00 H new ATOM 1421 N SER A 90 3.682 -6.848 12.543 1.00 0.00 N ATOM 1422 CA SER A 90 4.104 -5.579 13.114 1.00 0.00 C ATOM 1423 C SER A 90 4.605 -4.629 12.028 1.00 0.00 C ATOM 1424 O SER A 90 4.487 -3.410 12.147 1.00 0.00 O ATOM 1425 CB SER A 90 5.196 -5.830 14.151 1.00 0.00 C ATOM 1426 OG SER A 90 6.187 -6.711 13.636 1.00 0.00 O ATOM 0 H SER A 90 4.283 -7.636 12.783 1.00 0.00 H new ATOM 0 HA SER A 90 3.248 -5.107 13.596 1.00 0.00 H new ATOM 0 HB2 SER A 90 5.657 -4.884 14.437 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.757 -6.256 15.053 1.00 0.00 H new ATOM 0 HG SER A 90 6.879 -6.858 14.315 1.00 0.00 H new ATOM 1432 N GLN A 91 5.144 -5.202 10.957 1.00 0.00 N ATOM 1433 CA GLN A 91 5.691 -4.420 9.859 1.00 0.00 C ATOM 1434 C GLN A 91 4.568 -3.738 9.084 1.00 0.00 C ATOM 1435 O GLN A 91 4.740 -2.641 8.552 1.00 0.00 O ATOM 1436 CB GLN A 91 6.505 -5.317 8.923 1.00 0.00 C ATOM 1437 CG GLN A 91 7.332 -4.549 7.903 1.00 0.00 C ATOM 1438 CD GLN A 91 8.488 -3.793 8.532 1.00 0.00 C ATOM 1439 OE1 GLN A 91 8.426 -3.380 9.688 1.00 0.00 O ATOM 1440 NE2 GLN A 91 9.554 -3.601 7.771 1.00 0.00 N ATOM 0 H GLN A 91 5.213 -6.211 10.828 1.00 0.00 H new ATOM 0 HA GLN A 91 6.348 -3.654 10.272 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.170 -5.941 9.520 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.826 -5.987 8.396 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.721 -5.245 7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.688 -3.845 7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.570 -3.958 6.816 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.360 -3.096 8.140 1.00 0.00 H new ATOM 1449 N ILE A 92 3.418 -4.404 9.038 1.00 0.00 N ATOM 1450 CA ILE A 92 2.259 -3.916 8.296 1.00 0.00 C ATOM 1451 C ILE A 92 1.859 -2.514 8.755 1.00 0.00 C ATOM 1452 O ILE A 92 1.553 -1.646 7.934 1.00 0.00 O ATOM 1453 CB ILE A 92 1.055 -4.872 8.464 1.00 0.00 C ATOM 1454 CG1 ILE A 92 1.431 -6.291 8.017 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -0.148 -4.366 7.683 1.00 0.00 C ATOM 1456 CD1 ILE A 92 1.860 -6.383 6.566 1.00 0.00 C ATOM 0 H ILE A 92 3.263 -5.294 9.512 1.00 0.00 H new ATOM 0 HA ILE A 92 2.542 -3.876 7.244 1.00 0.00 H new ATOM 0 HB ILE A 92 0.786 -4.902 9.520 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.240 -6.658 8.649 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.577 -6.950 8.176 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.983 -5.054 7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.430 -3.378 8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.106 -4.303 6.625 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.110 -7.416 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.046 -6.047 5.924 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.734 -5.751 6.404 1.00 0.00 H new ATOM 1468 N TYR A 93 1.888 -2.292 10.068 1.00 0.00 N ATOM 1469 CA TYR A 93 1.529 -0.993 10.640 1.00 0.00 C ATOM 1470 C TYR A 93 2.401 0.120 10.069 1.00 0.00 C ATOM 1471 O TYR A 93 1.910 1.200 9.738 1.00 0.00 O ATOM 1472 CB TYR A 93 1.665 -1.012 12.166 1.00 0.00 C ATOM 1473 CG TYR A 93 0.706 -1.950 12.862 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -0.608 -1.572 13.110 1.00 0.00 C ATOM 1475 CD2 TYR A 93 1.117 -3.207 13.282 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -1.482 -2.421 13.760 1.00 0.00 C ATOM 1477 CE2 TYR A 93 0.250 -4.064 13.929 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.049 -3.666 14.166 1.00 0.00 C ATOM 1479 OH TYR A 93 -1.916 -4.513 14.821 1.00 0.00 O ATOM 0 H TYR A 93 2.156 -2.995 10.757 1.00 0.00 H new ATOM 0 HA TYR A 93 0.490 -0.798 10.375 1.00 0.00 H new ATOM 0 HB2 TYR A 93 2.685 -1.295 12.425 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.508 -0.002 12.546 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.951 -0.599 12.790 1.00 0.00 H new ATOM 0 HD2 TYR A 93 2.134 -3.521 13.099 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.499 -2.112 13.949 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.586 -5.040 14.248 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.455 -5.350 15.037 1.00 0.00 H new ATOM 1489 N TYR A 94 3.692 -0.148 9.952 1.00 0.00 N ATOM 1490 CA TYR A 94 4.636 0.835 9.442 1.00 0.00 C ATOM 1491 C TYR A 94 4.441 1.044 7.941 1.00 0.00 C ATOM 1492 O TYR A 94 4.494 2.171 7.453 1.00 0.00 O ATOM 1493 CB TYR A 94 6.068 0.382 9.743 1.00 0.00 C ATOM 1494 CG TYR A 94 7.140 1.314 9.217 1.00 0.00 C ATOM 1495 CD1 TYR A 94 7.282 2.602 9.720 1.00 0.00 C ATOM 1496 CD2 TYR A 94 8.019 0.901 8.223 1.00 0.00 C ATOM 1497 CE1 TYR A 94 8.264 3.451 9.242 1.00 0.00 C ATOM 1498 CE2 TYR A 94 9.002 1.745 7.743 1.00 0.00 C ATOM 1499 CZ TYR A 94 9.123 3.016 8.255 1.00 0.00 C ATOM 1500 OH TYR A 94 10.106 3.855 7.780 1.00 0.00 O ATOM 0 H TYR A 94 4.112 -1.043 10.205 1.00 0.00 H new ATOM 0 HA TYR A 94 4.455 1.788 9.939 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.186 0.283 10.822 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.221 -0.608 9.314 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.615 2.946 10.497 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.932 -0.097 7.819 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.357 4.451 9.640 1.00 0.00 H new ATOM 0 HE2 TYR A 94 9.674 1.408 6.968 1.00 0.00 H new ATOM 0 HH TYR A 94 10.189 3.746 6.810 1.00 0.00 H new ATOM 1510 N LEU A 95 4.193 -0.047 7.222 1.00 0.00 N ATOM 1511 CA LEU A 95 4.016 0.009 5.772 1.00 0.00 C ATOM 1512 C LEU A 95 2.815 0.874 5.391 1.00 0.00 C ATOM 1513 O LEU A 95 2.896 1.693 4.471 1.00 0.00 O ATOM 1514 CB LEU A 95 3.844 -1.402 5.196 1.00 0.00 C ATOM 1515 CG LEU A 95 5.046 -2.333 5.376 1.00 0.00 C ATOM 1516 CD1 LEU A 95 4.744 -3.710 4.802 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.287 -1.739 4.723 1.00 0.00 C ATOM 0 H LEU A 95 4.110 -0.983 7.620 1.00 0.00 H new ATOM 0 HA LEU A 95 4.913 0.462 5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.974 -1.864 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.627 -1.318 4.131 1.00 0.00 H new ATOM 0 HG LEU A 95 5.241 -2.441 6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.609 -4.359 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.884 -4.138 5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.522 -3.620 3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.130 -2.415 4.862 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.106 -1.599 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.514 -0.777 5.182 1.00 0.00 H new ATOM 1529 N VAL A 96 1.709 0.696 6.109 1.00 0.00 N ATOM 1530 CA VAL A 96 0.484 1.442 5.830 1.00 0.00 C ATOM 1531 C VAL A 96 0.696 2.942 6.036 1.00 0.00 C ATOM 1532 O VAL A 96 0.415 3.743 5.143 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.696 0.965 6.711 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -1.950 1.788 6.437 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -0.978 -0.509 6.472 1.00 0.00 C ATOM 0 H VAL A 96 1.635 0.042 6.888 1.00 0.00 H new ATOM 0 HA VAL A 96 0.234 1.253 4.786 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.413 1.106 7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.764 1.432 7.069 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.752 2.837 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.232 1.684 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.810 -0.827 7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.234 -0.665 5.424 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.092 -1.094 6.721 1.00 0.00 H new ATOM 1545 N ASP A 97 1.211 3.313 7.205 1.00 0.00 N ATOM 1546 CA ASP A 97 1.416 4.723 7.530 1.00 0.00 C ATOM 1547 C ASP A 97 2.427 5.369 6.595 1.00 0.00 C ATOM 1548 O ASP A 97 2.264 6.524 6.208 1.00 0.00 O ATOM 1549 CB ASP A 97 1.858 4.906 8.985 1.00 0.00 C ATOM 1550 CG ASP A 97 0.692 5.185 9.914 1.00 0.00 C ATOM 1551 OD1 ASP A 97 0.102 6.286 9.824 1.00 0.00 O ATOM 1552 OD2 ASP A 97 0.357 4.313 10.743 1.00 0.00 O ATOM 0 H ASP A 97 1.493 2.663 7.939 1.00 0.00 H new ATOM 0 HA ASP A 97 0.455 5.220 7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.378 4.008 9.319 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.571 5.728 9.044 1.00 0.00 H new ATOM 1557 N ALA A 98 3.456 4.622 6.218 1.00 0.00 N ATOM 1558 CA ALA A 98 4.470 5.133 5.301 1.00 0.00 C ATOM 1559 C ALA A 98 3.865 5.456 3.938 1.00 0.00 C ATOM 1560 O ALA A 98 4.223 6.451 3.308 1.00 0.00 O ATOM 1561 CB ALA A 98 5.604 4.134 5.150 1.00 0.00 C ATOM 0 H ALA A 98 3.612 3.664 6.531 1.00 0.00 H new ATOM 0 HA ALA A 98 4.869 6.055 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.350 4.532 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.064 3.956 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.212 3.196 4.757 1.00 0.00 H new ATOM 1567 N SER A 99 2.941 4.615 3.497 1.00 0.00 N ATOM 1568 CA SER A 99 2.285 4.801 2.212 1.00 0.00 C ATOM 1569 C SER A 99 1.242 5.915 2.292 1.00 0.00 C ATOM 1570 O SER A 99 1.032 6.660 1.336 1.00 0.00 O ATOM 1571 CB SER A 99 1.630 3.493 1.773 1.00 0.00 C ATOM 1572 OG SER A 99 2.561 2.427 1.808 1.00 0.00 O ATOM 0 H SER A 99 2.628 3.793 4.014 1.00 0.00 H new ATOM 0 HA SER A 99 3.035 5.091 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.787 3.267 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.232 3.601 0.764 1.00 0.00 H new ATOM 0 HG SER A 99 2.702 2.146 2.736 1.00 0.00 H new ATOM 1578 N TYR A 100 0.598 6.025 3.445 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.417 7.046 3.664 1.00 0.00 C ATOM 1580 C TYR A 100 0.219 8.428 3.816 1.00 0.00 C ATOM 1581 O TYR A 100 -0.269 9.406 3.253 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.258 6.688 4.898 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.236 7.764 5.318 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.300 8.125 4.499 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.091 8.421 6.535 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.191 9.110 4.882 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.978 9.406 6.924 1.00 0.00 C ATOM 1588 CZ TYR A 100 -4.025 9.747 6.095 1.00 0.00 C ATOM 1589 OH TYR A 100 -4.901 10.734 6.480 1.00 0.00 O ATOM 0 H TYR A 100 0.761 5.417 4.247 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.071 7.081 2.793 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.810 5.771 4.693 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.588 6.477 5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.432 7.628 3.549 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.271 8.157 7.187 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.013 9.380 4.235 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.852 9.906 7.873 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.794 10.533 6.131 1.00 0.00 H new ATOM 1599 N GLN A 101 1.315 8.496 4.559 1.00 0.00 N ATOM 1600 CA GLN A 101 1.997 9.762 4.816 1.00 0.00 C ATOM 1601 C GLN A 101 2.443 10.421 3.521 1.00 0.00 C ATOM 1602 O GLN A 101 2.187 11.605 3.295 1.00 0.00 O ATOM 1603 CB GLN A 101 3.212 9.535 5.710 1.00 0.00 C ATOM 1604 CG GLN A 101 3.894 10.820 6.167 1.00 0.00 C ATOM 1605 CD GLN A 101 2.935 11.810 6.806 1.00 0.00 C ATOM 1606 OE1 GLN A 101 2.689 11.769 8.011 1.00 0.00 O ATOM 1607 NE2 GLN A 101 2.398 12.723 6.007 1.00 0.00 N ATOM 0 H GLN A 101 1.754 7.687 4.997 1.00 0.00 H new ATOM 0 HA GLN A 101 1.290 10.423 5.318 1.00 0.00 H new ATOM 0 HB2 GLN A 101 2.903 8.967 6.588 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.936 8.923 5.173 1.00 0.00 H new ATOM 0 HG2 GLN A 101 4.680 10.573 6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 101 4.377 11.292 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 101 2.625 12.727 5.012 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.759 13.421 6.387 1.00 0.00 H new ATOM 1616 N GLN A 102 3.120 9.649 2.683 1.00 0.00 N ATOM 1617 CA GLN A 102 3.608 10.154 1.403 1.00 0.00 C ATOM 1618 C GLN A 102 2.451 10.647 0.532 1.00 0.00 C ATOM 1619 O GLN A 102 2.597 11.606 -0.224 1.00 0.00 O ATOM 1620 CB GLN A 102 4.425 9.085 0.663 1.00 0.00 C ATOM 1621 CG GLN A 102 3.639 7.834 0.305 1.00 0.00 C ATOM 1622 CD GLN A 102 4.485 6.798 -0.407 1.00 0.00 C ATOM 1623 OE1 GLN A 102 4.581 6.796 -1.634 1.00 0.00 O ATOM 1624 NE2 GLN A 102 5.100 5.907 0.357 1.00 0.00 N ATOM 0 H GLN A 102 3.345 8.671 2.864 1.00 0.00 H new ATOM 0 HA GLN A 102 4.264 11.000 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.828 9.521 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.275 8.801 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 102 3.225 7.397 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.796 8.108 -0.330 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.994 5.944 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.680 5.184 -0.069 1.00 0.00 H new ATOM 1633 N ALA A 103 1.293 10.007 0.663 1.00 0.00 N ATOM 1634 CA ALA A 103 0.109 10.418 -0.077 1.00 0.00 C ATOM 1635 C ALA A 103 -0.405 11.760 0.434 1.00 0.00 C ATOM 1636 O ALA A 103 -0.772 12.632 -0.352 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.976 9.360 0.022 1.00 0.00 C ATOM 0 H ALA A 103 1.151 9.203 1.274 1.00 0.00 H new ATOM 0 HA ALA A 103 0.384 10.532 -1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.853 9.685 -0.537 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.608 8.422 -0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.246 9.213 1.068 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.415 11.921 1.754 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.847 13.170 2.382 1.00 0.00 C ATOM 1645 C VAL A 104 0.066 14.323 1.973 1.00 0.00 C ATOM 1646 O VAL A 104 -0.384 15.454 1.786 1.00 0.00 O ATOM 1647 CB VAL A 104 -0.866 13.057 3.925 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.293 14.370 4.568 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -1.785 11.933 4.365 1.00 0.00 C ATOM 0 H VAL A 104 -0.127 11.199 2.414 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.862 13.367 2.036 1.00 0.00 H new ATOM 0 HB VAL A 104 0.148 12.832 4.256 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.297 14.260 5.652 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.594 15.158 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.294 14.634 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.786 11.868 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.797 12.132 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.433 10.990 3.946 1.00 0.00 H new ATOM 1659 N ASN A 105 1.349 14.023 1.816 1.00 0.00 N ATOM 1660 CA ASN A 105 2.326 15.030 1.411 1.00 0.00 C ATOM 1661 C ASN A 105 2.107 15.449 -0.041 1.00 0.00 C ATOM 1662 O ASN A 105 2.592 16.492 -0.475 1.00 0.00 O ATOM 1663 CB ASN A 105 3.760 14.518 1.609 1.00 0.00 C ATOM 1664 CG ASN A 105 4.157 14.432 3.072 1.00 0.00 C ATOM 1665 OD1 ASN A 105 3.658 15.181 3.909 1.00 0.00 O ATOM 1666 ND2 ASN A 105 5.064 13.521 3.392 1.00 0.00 N ATOM 0 H ASN A 105 1.739 13.092 1.962 1.00 0.00 H new ATOM 0 HA ASN A 105 2.184 15.904 2.047 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.855 13.533 1.153 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.452 15.179 1.088 1.00 0.00 H new ATOM 0 HD21 ASN A 105 5.370 13.424 4.360 1.00 0.00 H new ATOM 0 HD22 ASN A 105 5.456 12.916 2.670 1.00 0.00 H new ATOM 1673 N LEU A 106 1.365 14.642 -0.786 1.00 0.00 N ATOM 1674 CA LEU A 106 1.054 14.951 -2.172 1.00 0.00 C ATOM 1675 C LEU A 106 -0.326 15.595 -2.281 1.00 0.00 C ATOM 1676 O LEU A 106 -0.751 16.004 -3.365 1.00 0.00 O ATOM 1677 CB LEU A 106 1.118 13.679 -3.022 1.00 0.00 C ATOM 1678 CG LEU A 106 2.478 12.977 -3.045 1.00 0.00 C ATOM 1679 CD1 LEU A 106 2.419 11.728 -3.911 1.00 0.00 C ATOM 1680 CD2 LEU A 106 3.558 13.923 -3.547 1.00 0.00 C ATOM 0 H LEU A 106 0.966 13.765 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 106 1.793 15.660 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.371 12.977 -2.652 1.00 0.00 H new ATOM 0 HB3 LEU A 106 0.840 13.931 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 106 2.728 12.678 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.395 11.242 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.674 11.042 -3.509 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.146 12.004 -4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.518 13.407 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.313 14.252 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.618 14.789 -2.888 1.00 0.00 H new ATOM 1692 N LEU A 107 -1.019 15.676 -1.152 1.00 0.00 N ATOM 1693 CA LEU A 107 -2.344 16.281 -1.102 1.00 0.00 C ATOM 1694 C LEU A 107 -2.238 17.796 -0.945 1.00 0.00 C ATOM 1695 O LEU A 107 -1.266 18.299 -0.377 1.00 0.00 O ATOM 1696 CB LEU A 107 -3.157 15.701 0.059 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.503 14.216 -0.060 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.247 13.743 1.177 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -4.332 13.959 -1.311 1.00 0.00 C ATOM 0 H LEU A 107 -0.683 15.328 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.852 16.056 -2.040 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.599 15.854 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.084 16.267 0.149 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.574 13.652 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.485 12.684 1.076 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.621 13.891 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.169 14.314 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.569 12.897 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -5.256 14.534 -1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.765 14.261 -2.192 1.00 0.00 H new ATOM 1711 N PRO A 108 -3.236 18.536 -1.452 1.00 0.00 N ATOM 1712 CA PRO A 108 -3.278 20.000 -1.344 1.00 0.00 C ATOM 1713 C PRO A 108 -3.519 20.482 0.089 1.00 0.00 C ATOM 1714 O PRO A 108 -3.865 19.693 0.975 1.00 0.00 O ATOM 1715 CB PRO A 108 -4.458 20.391 -2.237 1.00 0.00 C ATOM 1716 CG PRO A 108 -5.328 19.182 -2.273 1.00 0.00 C ATOM 1717 CD PRO A 108 -4.400 18.004 -2.186 1.00 0.00 C ATOM 0 HA PRO A 108 -2.330 20.450 -1.638 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -4.992 21.250 -1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -4.123 20.666 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -6.035 19.185 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.915 19.150 -3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.860 17.169 -1.658 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -4.119 17.640 -3.174 1.00 0.00 H new ATOM 1725 N GLU A 109 -3.356 21.786 0.286 1.00 0.00 N ATOM 1726 CA GLU A 109 -3.491 22.420 1.590 1.00 0.00 C ATOM 1727 C GLU A 109 -4.838 22.094 2.232 1.00 0.00 C ATOM 1728 O GLU A 109 -4.901 21.677 3.392 1.00 0.00 O ATOM 1729 CB GLU A 109 -3.346 23.930 1.413 1.00 0.00 C ATOM 1730 CG GLU A 109 -2.297 24.563 2.310 1.00 0.00 C ATOM 1731 CD GLU A 109 -2.557 24.328 3.781 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -3.315 25.114 4.387 1.00 0.00 O ATOM 1733 OE2 GLU A 109 -1.990 23.365 4.341 1.00 0.00 O ATOM 0 H GLU A 109 -3.124 22.438 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.713 22.039 2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.094 24.140 0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -4.309 24.402 1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.317 24.163 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -2.264 25.636 2.120 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.903 22.270 1.455 1.00 0.00 N ATOM 1741 CA GLU A 110 -7.267 22.055 1.919 1.00 0.00 C ATOM 1742 C GLU A 110 -7.435 20.680 2.562 1.00 0.00 C ATOM 1743 O GLU A 110 -7.887 20.563 3.702 1.00 0.00 O ATOM 1744 CB GLU A 110 -8.226 22.180 0.739 1.00 0.00 C ATOM 1745 CG GLU A 110 -9.682 22.023 1.120 1.00 0.00 C ATOM 1746 CD GLU A 110 -10.556 21.690 -0.070 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -10.713 22.544 -0.967 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -11.074 20.558 -0.134 1.00 0.00 O ATOM 0 H GLU A 110 -5.842 22.567 0.481 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.489 22.809 2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -8.085 23.153 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -7.971 21.427 -0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -9.776 21.236 1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -10.036 22.945 1.581 1.00 0.00 H new ATOM 1755 N LYS A 111 -7.040 19.647 1.826 1.00 0.00 N ATOM 1756 CA LYS A 111 -7.262 18.269 2.248 1.00 0.00 C ATOM 1757 C LYS A 111 -6.522 17.946 3.537 1.00 0.00 C ATOM 1758 O LYS A 111 -7.086 17.327 4.436 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.845 17.300 1.140 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.999 16.839 0.261 1.00 0.00 C ATOM 1761 CD LYS A 111 -8.718 18.002 -0.407 1.00 0.00 C ATOM 1762 CE LYS A 111 -9.919 17.515 -1.199 1.00 0.00 C ATOM 1763 NZ LYS A 111 -10.676 18.630 -1.826 1.00 0.00 N ATOM 0 H LYS A 111 -6.562 19.739 0.930 1.00 0.00 H new ATOM 0 HA LYS A 111 -8.328 18.153 2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.093 17.780 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.373 16.427 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.621 16.161 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.709 16.274 0.865 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.042 18.717 0.349 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.030 18.528 -1.069 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.584 16.826 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.582 16.955 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.685 18.382 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.556 19.493 -1.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.317 18.796 -2.788 1.00 0.00 H new ATOM 1777 N ARG A 112 -5.276 18.386 3.636 1.00 0.00 N ATOM 1778 CA ARG A 112 -4.454 18.078 4.799 1.00 0.00 C ATOM 1779 C ARG A 112 -5.049 18.676 6.065 1.00 0.00 C ATOM 1780 O ARG A 112 -5.083 18.030 7.112 1.00 0.00 O ATOM 1781 CB ARG A 112 -3.034 18.598 4.596 1.00 0.00 C ATOM 1782 CG ARG A 112 -2.359 18.058 3.346 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.953 18.607 3.195 1.00 0.00 C ATOM 1784 NE ARG A 112 -0.928 20.065 3.288 1.00 0.00 N ATOM 1785 CZ ARG A 112 -0.280 20.853 2.438 1.00 0.00 C ATOM 1786 NH1 ARG A 112 0.341 20.338 1.385 1.00 0.00 N ATOM 1787 NH2 ARG A 112 -0.283 22.162 2.625 1.00 0.00 N ATOM 0 H ARG A 112 -4.813 18.956 2.928 1.00 0.00 H new ATOM 0 HA ARG A 112 -4.426 16.994 4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -3.059 19.686 4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -2.432 18.335 5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.323 16.970 3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.950 18.321 2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -0.312 18.182 3.967 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.543 18.297 2.234 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.440 20.505 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.323 19.331 1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.837 20.949 0.736 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -0.782 22.563 3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 112 0.213 22.771 1.975 1.00 0.00 H new ATOM 1801 N LYS A 113 -5.535 19.906 5.962 1.00 0.00 N ATOM 1802 CA LYS A 113 -6.119 20.593 7.096 1.00 0.00 C ATOM 1803 C LYS A 113 -7.446 19.950 7.493 1.00 0.00 C ATOM 1804 O LYS A 113 -7.806 19.923 8.670 1.00 0.00 O ATOM 1805 CB LYS A 113 -6.305 22.069 6.756 1.00 0.00 C ATOM 1806 CG LYS A 113 -4.989 22.795 6.515 1.00 0.00 C ATOM 1807 CD LYS A 113 -4.113 22.789 7.760 1.00 0.00 C ATOM 1808 CE LYS A 113 -2.738 23.383 7.491 1.00 0.00 C ATOM 1809 NZ LYS A 113 -2.820 24.768 6.954 1.00 0.00 N ATOM 0 H LYS A 113 -5.534 20.447 5.097 1.00 0.00 H new ATOM 0 HA LYS A 113 -5.446 20.511 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.929 22.155 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -6.840 22.559 7.570 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.456 22.320 5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.189 23.823 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.604 23.355 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.002 21.766 8.121 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.159 23.387 8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -2.203 22.751 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.860 25.139 6.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.336 24.760 6.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.322 25.375 7.634 1.00 0.00 H new ATOM 1823 N LEU A 114 -8.160 19.421 6.506 1.00 0.00 N ATOM 1824 CA LEU A 114 -9.406 18.728 6.748 1.00 0.00 C ATOM 1825 C LEU A 114 -9.172 17.410 7.479 1.00 0.00 C ATOM 1826 O LEU A 114 -9.924 17.054 8.384 1.00 0.00 O ATOM 1827 CB LEU A 114 -10.107 18.472 5.421 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.724 19.703 4.759 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -11.392 19.318 3.449 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.723 20.371 5.693 1.00 0.00 C ATOM 0 H LEU A 114 -7.888 19.463 5.524 1.00 0.00 H new ATOM 0 HA LEU A 114 -10.034 19.354 7.382 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -9.390 18.030 4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.893 17.734 5.581 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.928 20.416 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.827 20.205 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.651 18.886 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -12.177 18.587 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -12.151 21.245 5.203 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -12.518 19.667 5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -11.216 20.679 6.607 1.00 0.00 H new ATOM 1842 N LEU A 115 -8.121 16.695 7.080 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.780 15.410 7.690 1.00 0.00 C ATOM 1844 C LEU A 115 -7.502 15.563 9.184 1.00 0.00 C ATOM 1845 O LEU A 115 -7.815 14.676 9.974 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.556 14.797 7.004 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.699 14.557 5.498 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.442 13.911 4.941 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.918 13.699 5.198 1.00 0.00 C ATOM 0 H LEU A 115 -7.489 16.985 6.334 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.636 14.748 7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.701 15.452 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.328 13.846 7.486 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.837 15.523 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.561 13.748 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.588 14.566 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.274 12.955 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.997 13.543 4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.817 12.736 5.698 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.815 14.202 5.559 1.00 0.00 H new ATOM 1861 N VAL A 116 -6.915 16.696 9.560 1.00 0.00 N ATOM 1862 CA VAL A 116 -6.604 16.976 10.964 1.00 0.00 C ATOM 1863 C VAL A 116 -7.885 17.227 11.767 1.00 0.00 C ATOM 1864 O VAL A 116 -7.949 16.963 12.972 1.00 0.00 O ATOM 1865 CB VAL A 116 -5.658 18.196 11.094 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -5.289 18.456 12.548 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -4.402 17.987 10.260 1.00 0.00 C ATOM 0 H VAL A 116 -6.644 17.437 8.914 1.00 0.00 H new ATOM 0 HA VAL A 116 -6.099 16.099 11.368 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.188 19.071 10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -4.624 19.318 12.606 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -6.193 18.656 13.123 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -4.785 17.581 12.957 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.749 18.853 10.363 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.879 17.095 10.606 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.677 17.862 9.213 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.900 17.742 11.091 1.00 0.00 N ATOM 1878 CA GLN A 117 -10.181 18.046 11.712 1.00 0.00 C ATOM 1879 C GLN A 117 -11.016 16.791 11.951 1.00 0.00 C ATOM 1880 O GLN A 117 -11.827 16.746 12.881 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.950 19.027 10.835 1.00 0.00 C ATOM 1882 CG GLN A 117 -10.649 20.485 11.139 1.00 0.00 C ATOM 1883 CD GLN A 117 -11.291 20.942 12.433 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -12.431 21.408 12.437 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -10.574 20.815 13.538 1.00 0.00 N ATOM 0 H GLN A 117 -8.860 17.961 10.096 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.983 18.493 12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.715 18.827 9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -12.019 18.852 10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.570 20.627 11.200 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -11.006 21.107 10.318 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.633 20.424 13.493 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -10.962 21.108 14.434 1.00 0.00 H new ATOM 1894 N LEU A 118 -10.817 15.785 11.111 1.00 0.00 N ATOM 1895 CA LEU A 118 -11.622 14.572 11.161 1.00 0.00 C ATOM 1896 C LEU A 118 -11.044 13.570 12.154 1.00 0.00 C ATOM 1897 O LEU A 118 -10.144 12.801 11.772 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.711 13.940 9.769 1.00 0.00 C ATOM 1899 CG LEU A 118 -12.333 14.834 8.693 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -12.347 14.121 7.348 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.744 15.247 9.089 1.00 0.00 C ATOM 0 H LEU A 118 -10.102 15.785 10.384 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.623 14.844 11.496 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.708 13.657 9.450 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -12.294 13.022 9.840 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.723 15.733 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.793 14.772 6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.326 13.875 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.932 13.205 7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.169 15.882 8.312 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -14.363 14.358 9.210 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.712 15.797 10.029 1.00 0.00 H new TER 1913 LEU A 118