USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1042 hydrogens (27 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 115 GLN : amide:sc= -0.0492 K(o=-0.13,f=-1.7!) USER MOD Set 1.2: A 120 HIS : no HD1:sc= -0.0786 X(o=-0.13,f=-0.39) USER MOD Set 2.1: A 50 THR OG1 : rot 62:sc= 0.561 USER MOD Set 2.2: A 96 ASN : amide:sc= -6.69! C(o=-13!,f=-22!) USER MOD Set 2.3: A 98 GLN : amide:sc= -6.77! C(o=-13!,f=-16!) USER MOD Single : A 3 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.31) USER MOD Single : A 6 SER OG : rot 82:sc= 0.0539 USER MOD Single : A 7 GLN : amide:sc= -0.271 K(o=-0.27,f=-0.94) USER MOD Single : A 8 HIS :FLIP no HD1:sc= -1.73 F(o=-2.3!,f=-1.7) USER MOD Single : A 11 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 14 GLN : amide:sc= -0.265 K(o=-0.27,f=-0.95) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= -8.98! (180deg=-9.07!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 11:sc= -0.849 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 79:sc= 0.193 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -3.81! C(o=-3.8!,f=-4.9!) USER MOD Single : A 69 THR OG1 : rot -82:sc= 0.663 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN :FLIP amide:sc= -2.64! C(o=-4.6!,f=-2.6!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl 154:sc= -0.199 (180deg=-1.36) USER MOD Single : A 105 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.31) USER MOD Single : A 106 THR OG1 : rot 74:sc= 0.22 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.452 F(o=-2.3!,f=-0.45) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-6.8!) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-4.3!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 117.047 10.476 -0.355 1.00 0.00 C HETATM 2 O1 MYR A 1 116.820 11.686 -0.391 1.00 0.00 O HETATM 3 C2 MYR A 1 116.012 9.645 0.089 1.00 0.00 C HETATM 4 C3 MYR A 1 114.742 9.824 -0.755 1.00 0.00 C HETATM 5 C4 MYR A 1 113.724 8.727 -0.468 1.00 0.00 C HETATM 6 C5 MYR A 1 112.337 9.295 -0.194 1.00 0.00 C HETATM 7 C6 MYR A 1 111.917 9.039 1.256 1.00 0.00 C HETATM 8 C7 MYR A 1 110.433 8.695 1.438 1.00 0.00 C HETATM 9 C8 MYR A 1 110.089 7.962 2.741 1.00 0.00 C HETATM 10 C9 MYR A 1 109.084 6.807 2.583 1.00 0.00 C HETATM 11 C10 MYR A 1 108.409 6.422 3.906 1.00 0.00 C HETATM 12 C11 MYR A 1 108.576 4.932 4.253 1.00 0.00 C HETATM 13 C12 MYR A 1 107.220 4.242 4.407 1.00 0.00 C HETATM 14 C13 MYR A 1 107.132 2.988 3.536 1.00 0.00 C HETATM 15 C14 MYR A 1 105.736 2.382 3.571 1.00 0.00 C HETATM 0 H143 MYR A 1 105.484 2.109 4.596 1.00 0.00 H new HETATM 0 H142 MYR A 1 105.014 3.110 3.201 1.00 0.00 H new HETATM 0 H141 MYR A 1 105.709 1.493 2.941 1.00 0.00 H new HETATM 0 H132 MYR A 1 107.396 3.238 2.508 1.00 0.00 H new HETATM 0 H131 MYR A 1 107.858 2.252 3.881 1.00 0.00 H new HETATM 0 H122 MYR A 1 107.063 3.973 5.452 1.00 0.00 H new HETATM 0 H121 MYR A 1 106.424 4.934 4.133 1.00 0.00 H new HETATM 0 H112 MYR A 1 109.152 4.437 3.471 1.00 0.00 H new HETATM 0 H111 MYR A 1 109.144 4.833 5.178 1.00 0.00 H new HETATM 0 H102 MYR A 1 108.828 7.026 4.711 1.00 0.00 H new HETATM 0 H101 MYR A 1 107.347 6.659 3.849 1.00 0.00 H new HETATM 0 H92 MYR A 1 108.320 7.092 1.860 1.00 0.00 H new HETATM 0 H91 MYR A 1 109.599 5.937 2.176 1.00 0.00 H new HETATM 0 H82 MYR A 1 111.009 7.569 3.174 1.00 0.00 H new HETATM 0 H81 MYR A 1 109.685 8.683 3.452 1.00 0.00 H new HETATM 0 H72 MYR A 1 109.854 9.618 1.395 1.00 0.00 H new HETATM 0 H71 MYR A 1 110.113 8.079 0.598 1.00 0.00 H new HETATM 0 H62 MYR A 1 112.518 8.222 1.656 1.00 0.00 H new HETATM 0 H61 MYR A 1 112.147 9.924 1.849 1.00 0.00 H new HETATM 0 H52 MYR A 1 112.333 10.366 -0.394 1.00 0.00 H new HETATM 0 H51 MYR A 1 111.614 8.841 -0.872 1.00 0.00 H new HETATM 0 H42 MYR A 1 113.676 8.046 -1.317 1.00 0.00 H new HETATM 0 H41 MYR A 1 114.053 8.143 0.391 1.00 0.00 H new HETATM 0 H32 MYR A 1 114.299 10.798 -0.546 1.00 0.00 H new HETATM 0 H31 MYR A 1 115.002 9.813 -1.813 1.00 0.00 H new HETATM 0 H22 MYR A 1 116.335 8.605 0.045 1.00 0.00 H new HETATM 0 H21 MYR A 1 115.790 9.866 1.133 1.00 0.00 H new ATOM 43 N GLY A 2 118.125 9.958 0.222 1.00 0.00 N ATOM 44 CA GLY A 2 119.122 10.809 0.861 1.00 0.00 C ATOM 45 C GLY A 2 118.852 10.937 2.357 1.00 0.00 C ATOM 46 O GLY A 2 118.662 9.936 3.050 1.00 0.00 O ATOM 0 HA2 GLY A 2 120.117 10.393 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 2 119.112 11.797 0.400 1.00 0.00 H new ATOM 50 N GLN A 3 118.835 12.172 2.848 1.00 0.00 N ATOM 51 CA GLN A 3 118.584 12.420 4.265 1.00 0.00 C ATOM 52 C GLN A 3 117.168 11.996 4.641 1.00 0.00 C ATOM 53 O GLN A 3 116.894 11.667 5.795 1.00 0.00 O ATOM 54 CB GLN A 3 118.777 13.903 4.577 1.00 0.00 C ATOM 55 CG GLN A 3 120.225 14.306 4.287 1.00 0.00 C ATOM 56 CD GLN A 3 121.172 13.574 5.233 1.00 0.00 C ATOM 57 OE1 GLN A 3 120.974 13.596 6.448 1.00 0.00 O ATOM 58 NE2 GLN A 3 122.194 12.925 4.747 1.00 0.00 N ATOM 0 H GLN A 3 118.991 13.012 2.291 1.00 0.00 H new ATOM 0 HA GLN A 3 119.292 11.832 4.849 1.00 0.00 H new ATOM 0 HB2 GLN A 3 118.095 14.503 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 3 118.537 14.099 5.622 1.00 0.00 H new ATOM 0 HG2 GLN A 3 120.476 14.069 3.253 1.00 0.00 H new ATOM 0 HG3 GLN A 3 120.341 15.383 4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 3 122.356 12.908 3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 3 122.831 12.434 5.374 1.00 0.00 H new ATOM 67 N GLU A 4 116.279 11.994 3.658 1.00 0.00 N ATOM 68 CA GLU A 4 114.895 11.594 3.883 1.00 0.00 C ATOM 69 C GLU A 4 114.835 10.209 4.518 1.00 0.00 C ATOM 70 O GLU A 4 113.826 9.829 5.108 1.00 0.00 O ATOM 71 CB GLU A 4 114.119 11.601 2.567 1.00 0.00 C ATOM 72 CG GLU A 4 113.937 13.045 2.087 1.00 0.00 C ATOM 73 CD GLU A 4 113.303 13.066 0.702 1.00 0.00 C ATOM 74 OE1 GLU A 4 113.017 14.146 0.211 1.00 0.00 O ATOM 75 OE2 GLU A 4 113.117 11.995 0.150 1.00 0.00 O ATOM 0 H GLU A 4 116.490 12.264 2.697 1.00 0.00 H new ATOM 0 HA GLU A 4 114.437 12.311 4.565 1.00 0.00 H new ATOM 0 HB2 GLU A 4 114.654 11.021 1.814 1.00 0.00 H new ATOM 0 HB3 GLU A 4 113.147 11.127 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 4 113.309 13.593 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 4 114.902 13.551 2.060 1.00 0.00 H new ATOM 82 N LEU A 5 115.917 9.454 4.375 1.00 0.00 N ATOM 83 CA LEU A 5 115.970 8.105 4.926 1.00 0.00 C ATOM 84 C LEU A 5 115.395 8.082 6.348 1.00 0.00 C ATOM 85 O LEU A 5 114.753 7.106 6.769 1.00 0.00 O ATOM 86 CB LEU A 5 117.421 7.611 4.951 1.00 0.00 C ATOM 87 CG LEU A 5 117.454 6.133 5.358 1.00 0.00 C ATOM 88 CD1 LEU A 5 116.771 5.284 4.281 1.00 0.00 C ATOM 89 CD2 LEU A 5 118.905 5.681 5.518 1.00 0.00 C ATOM 0 H LEU A 5 116.763 9.749 3.887 1.00 0.00 H new ATOM 0 HA LEU A 5 115.372 7.448 4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 5 117.876 7.738 3.969 1.00 0.00 H new ATOM 0 HB3 LEU A 5 118.006 8.205 5.653 1.00 0.00 H new ATOM 0 HG LEU A 5 116.926 6.008 6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 5 116.797 4.235 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 5 115.735 5.604 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 5 117.295 5.409 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 5 118.929 4.630 5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 5 119.432 5.809 4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 5 119.390 6.281 6.288 1.00 0.00 H new ATOM 101 N SER A 6 115.621 9.163 7.082 1.00 0.00 N ATOM 102 CA SER A 6 115.116 9.261 8.445 1.00 0.00 C ATOM 103 C SER A 6 113.620 8.960 8.473 1.00 0.00 C ATOM 104 O SER A 6 113.108 8.392 9.436 1.00 0.00 O ATOM 105 CB SER A 6 115.369 10.665 8.996 1.00 0.00 C ATOM 106 OG SER A 6 116.761 10.949 8.931 1.00 0.00 O ATOM 0 H SER A 6 116.145 9.977 6.761 1.00 0.00 H new ATOM 0 HA SER A 6 115.638 8.533 9.066 1.00 0.00 H new ATOM 0 HB2 SER A 6 114.808 11.401 8.420 1.00 0.00 H new ATOM 0 HB3 SER A 6 115.020 10.733 10.026 1.00 0.00 H new ATOM 0 HG SER A 6 116.993 11.242 8.025 1.00 0.00 H new ATOM 112 N GLN A 7 112.923 9.340 7.410 1.00 0.00 N ATOM 113 CA GLN A 7 111.488 9.102 7.329 1.00 0.00 C ATOM 114 C GLN A 7 111.182 7.628 7.576 1.00 0.00 C ATOM 115 O GLN A 7 110.240 7.295 8.296 1.00 0.00 O ATOM 116 CB GLN A 7 110.968 9.508 5.945 1.00 0.00 C ATOM 117 CG GLN A 7 109.440 9.402 5.913 1.00 0.00 C ATOM 118 CD GLN A 7 108.828 10.400 6.892 1.00 0.00 C ATOM 119 OE1 GLN A 7 109.314 11.524 7.017 1.00 0.00 O ATOM 120 NE2 GLN A 7 107.789 10.053 7.599 1.00 0.00 N ATOM 0 H GLN A 7 113.324 9.810 6.598 1.00 0.00 H new ATOM 0 HA GLN A 7 110.992 9.701 8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 7 111.276 10.528 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 7 111.402 8.864 5.180 1.00 0.00 H new ATOM 0 HG2 GLN A 7 109.075 9.598 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 7 109.132 8.389 6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 7 107.388 9.121 7.493 1.00 0.00 H new ATOM 0 HE22 GLN A 7 107.377 10.714 8.258 1.00 0.00 H new ATOM 129 N HIS A 8 111.982 6.748 6.978 1.00 0.00 N ATOM 130 CA HIS A 8 111.785 5.313 7.151 1.00 0.00 C ATOM 131 C HIS A 8 111.931 4.934 8.618 1.00 0.00 C ATOM 132 O HIS A 8 111.084 4.234 9.176 1.00 0.00 O ATOM 133 CB HIS A 8 112.812 4.545 6.317 1.00 0.00 C ATOM 134 CG HIS A 8 112.419 4.594 4.868 1.00 0.00 C ATOM 135 ND1 HIS A 8 112.736 5.470 3.859 1.00 0.00 N flip ATOM 136 CD2 HIS A 8 111.584 3.646 4.296 1.00 0.00 C flip ATOM 137 CE1 HIS A 8 112.110 5.074 2.681 1.00 0.00 C flip ATOM 138 NE2 HIS A 8 111.429 3.970 3.000 1.00 0.00 N flip ATOM 0 H HIS A 8 112.765 7.001 6.375 1.00 0.00 H new ATOM 0 HA HIS A 8 110.780 5.054 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 8 113.803 4.979 6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 8 112.869 3.510 6.654 1.00 0.00 H new ATOM 0 HD2 HIS A 8 111.139 2.801 4.800 1.00 0.00 H new ATOM 0 HE1 HIS A 8 112.163 5.556 1.716 1.00 0.00 H new ATOM 0 HE2 HIS A 8 110.861 3.438 2.341 1.00 0.00 H new ATOM 147 N GLU A 9 113.005 5.404 9.241 1.00 0.00 N ATOM 148 CA GLU A 9 113.239 5.103 10.657 1.00 0.00 C ATOM 149 C GLU A 9 111.986 5.389 11.482 1.00 0.00 C ATOM 150 O GLU A 9 111.701 4.715 12.484 1.00 0.00 O ATOM 151 CB GLU A 9 114.410 5.945 11.178 1.00 0.00 C ATOM 152 CG GLU A 9 115.723 5.439 10.571 1.00 0.00 C ATOM 153 CD GLU A 9 116.044 4.048 11.108 1.00 0.00 C ATOM 154 OE1 GLU A 9 116.820 3.350 10.475 1.00 0.00 O ATOM 155 OE2 GLU A 9 115.508 3.700 12.148 1.00 0.00 O ATOM 0 H GLU A 9 113.719 5.985 8.802 1.00 0.00 H new ATOM 0 HA GLU A 9 113.482 4.045 10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 9 114.259 6.993 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 9 114.456 5.888 12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 9 115.643 5.409 9.484 1.00 0.00 H new ATOM 0 HG3 GLU A 9 116.534 6.127 10.812 1.00 0.00 H new ATOM 162 N ARG A 10 111.220 6.378 11.042 1.00 0.00 N ATOM 163 CA ARG A 10 109.989 6.743 11.733 1.00 0.00 C ATOM 164 C ARG A 10 108.861 5.825 11.304 1.00 0.00 C ATOM 165 O ARG A 10 108.148 5.300 12.133 1.00 0.00 O ATOM 166 CB ARG A 10 109.611 8.193 11.424 1.00 0.00 C ATOM 167 CG ARG A 10 110.827 9.105 11.666 1.00 0.00 C ATOM 168 CD ARG A 10 110.985 9.373 13.164 1.00 0.00 C ATOM 169 NE ARG A 10 112.060 10.324 13.391 1.00 0.00 N ATOM 170 CZ ARG A 10 113.320 9.920 13.532 1.00 0.00 C ATOM 171 NH1 ARG A 10 114.266 10.795 13.740 1.00 0.00 N ATOM 172 NH2 ARG A 10 113.608 8.650 13.465 1.00 0.00 N ATOM 0 H ARG A 10 111.426 6.939 10.216 1.00 0.00 H new ATOM 0 HA ARG A 10 110.153 6.640 12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 10 109.278 8.280 10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 10 108.778 8.505 12.054 1.00 0.00 H new ATOM 0 HG2 ARG A 10 111.729 8.635 11.274 1.00 0.00 H new ATOM 0 HG3 ARG A 10 110.700 10.046 11.131 1.00 0.00 H new ATOM 0 HD2 ARG A 10 110.052 9.763 13.572 1.00 0.00 H new ATOM 0 HD3 ARG A 10 111.197 8.441 13.688 1.00 0.00 H new ATOM 0 HE ARG A 10 111.845 11.320 13.443 1.00 0.00 H new ATOM 0 HH11 ARG A 10 114.039 11.788 13.794 1.00 0.00 H new ATOM 0 HH12 ARG A 10 115.232 10.486 13.848 1.00 0.00 H new ATOM 0 HH21 ARG A 10 112.868 7.967 13.305 1.00 0.00 H new ATOM 0 HH22 ARG A 10 114.574 8.340 13.573 1.00 0.00 H new ATOM 186 N TYR A 11 108.704 5.646 10.001 1.00 0.00 N ATOM 187 CA TYR A 11 107.649 4.785 9.478 1.00 0.00 C ATOM 188 C TYR A 11 107.720 3.409 10.133 1.00 0.00 C ATOM 189 O TYR A 11 106.706 2.834 10.498 1.00 0.00 O ATOM 190 CB TYR A 11 107.808 4.627 7.965 1.00 0.00 C ATOM 191 CG TYR A 11 106.753 3.683 7.443 1.00 0.00 C ATOM 192 CD1 TYR A 11 107.078 2.349 7.168 1.00 0.00 C ATOM 193 CD2 TYR A 11 105.449 4.143 7.230 1.00 0.00 C ATOM 194 CE1 TYR A 11 106.099 1.475 6.680 1.00 0.00 C ATOM 195 CE2 TYR A 11 104.469 3.270 6.742 1.00 0.00 C ATOM 196 CZ TYR A 11 104.793 1.936 6.468 1.00 0.00 C ATOM 197 OH TYR A 11 103.827 1.076 5.983 1.00 0.00 O ATOM 0 H TYR A 11 109.289 6.082 9.288 1.00 0.00 H new ATOM 0 HA TYR A 11 106.685 5.243 9.700 1.00 0.00 H new ATOM 0 HB2 TYR A 11 107.717 5.597 7.476 1.00 0.00 H new ATOM 0 HB3 TYR A 11 108.801 4.244 7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 11 108.085 1.994 7.332 1.00 0.00 H new ATOM 0 HD2 TYR A 11 105.198 5.172 7.442 1.00 0.00 H new ATOM 0 HE1 TYR A 11 106.350 0.446 6.467 1.00 0.00 H new ATOM 0 HE2 TYR A 11 103.463 3.626 6.577 1.00 0.00 H new ATOM 0 HH TYR A 11 102.977 1.555 5.895 1.00 0.00 H new ATOM 207 N VAL A 12 108.929 2.889 10.287 1.00 0.00 N ATOM 208 CA VAL A 12 109.102 1.574 10.909 1.00 0.00 C ATOM 209 C VAL A 12 108.597 1.584 12.346 1.00 0.00 C ATOM 210 O VAL A 12 107.806 0.727 12.743 1.00 0.00 O ATOM 211 CB VAL A 12 110.583 1.191 10.887 1.00 0.00 C ATOM 212 CG1 VAL A 12 110.843 0.084 11.910 1.00 0.00 C ATOM 213 CG2 VAL A 12 110.954 0.681 9.492 1.00 0.00 C ATOM 0 H VAL A 12 109.795 3.344 9.997 1.00 0.00 H new ATOM 0 HA VAL A 12 108.522 0.843 10.345 1.00 0.00 H new ATOM 0 HB VAL A 12 111.185 2.065 11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 12 111.899 -0.187 11.892 1.00 0.00 H new ATOM 0 HG12 VAL A 12 110.576 0.439 12.906 1.00 0.00 H new ATOM 0 HG13 VAL A 12 110.240 -0.789 11.662 1.00 0.00 H new ATOM 0 HG21 VAL A 12 112.009 0.407 9.473 1.00 0.00 H new ATOM 0 HG22 VAL A 12 110.348 -0.192 9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 110.769 1.465 8.757 1.00 0.00 H new ATOM 223 N GLU A 13 109.060 2.553 13.124 1.00 0.00 N ATOM 224 CA GLU A 13 108.641 2.655 14.519 1.00 0.00 C ATOM 225 C GLU A 13 107.162 3.029 14.611 1.00 0.00 C ATOM 226 O GLU A 13 106.444 2.544 15.478 1.00 0.00 O ATOM 227 CB GLU A 13 109.483 3.708 15.241 1.00 0.00 C ATOM 228 CG GLU A 13 109.151 3.695 16.735 1.00 0.00 C ATOM 229 CD GLU A 13 110.037 4.693 17.473 1.00 0.00 C ATOM 230 OE1 GLU A 13 110.088 4.623 18.690 1.00 0.00 O ATOM 231 OE2 GLU A 13 110.652 5.513 16.811 1.00 0.00 O ATOM 0 H GLU A 13 109.717 3.272 12.820 1.00 0.00 H new ATOM 0 HA GLU A 13 108.787 1.685 14.994 1.00 0.00 H new ATOM 0 HB2 GLU A 13 110.543 3.505 15.092 1.00 0.00 H new ATOM 0 HB3 GLU A 13 109.286 4.695 14.823 1.00 0.00 H new ATOM 0 HG2 GLU A 13 108.101 3.947 16.885 1.00 0.00 H new ATOM 0 HG3 GLU A 13 109.300 2.694 17.141 1.00 0.00 H new ATOM 238 N GLN A 14 106.723 3.902 13.720 1.00 0.00 N ATOM 239 CA GLN A 14 105.339 4.347 13.711 1.00 0.00 C ATOM 240 C GLN A 14 104.422 3.234 13.235 1.00 0.00 C ATOM 241 O GLN A 14 103.683 2.657 14.017 1.00 0.00 O ATOM 242 CB GLN A 14 105.189 5.565 12.795 1.00 0.00 C ATOM 243 CG GLN A 14 103.753 6.102 12.870 1.00 0.00 C ATOM 244 CD GLN A 14 103.442 6.559 14.294 1.00 0.00 C ATOM 245 OE1 GLN A 14 104.309 7.115 14.969 1.00 0.00 O ATOM 246 NE2 GLN A 14 102.253 6.354 14.792 1.00 0.00 N ATOM 0 H GLN A 14 107.305 4.317 12.993 1.00 0.00 H new ATOM 0 HA GLN A 14 105.058 4.621 14.728 1.00 0.00 H new ATOM 0 HB2 GLN A 14 105.893 6.343 13.091 1.00 0.00 H new ATOM 0 HB3 GLN A 14 105.431 5.291 11.768 1.00 0.00 H new ATOM 0 HG2 GLN A 14 103.630 6.934 12.177 1.00 0.00 H new ATOM 0 HG3 GLN A 14 103.049 5.327 12.566 1.00 0.00 H new ATOM 0 HE21 GLN A 14 101.537 5.893 14.230 1.00 0.00 H new ATOM 0 HE22 GLN A 14 102.040 6.655 15.743 1.00 0.00 H new ATOM 255 N LEU A 15 104.456 2.953 11.942 1.00 0.00 N ATOM 256 CA LEU A 15 103.597 1.923 11.377 1.00 0.00 C ATOM 257 C LEU A 15 103.465 0.753 12.353 1.00 0.00 C ATOM 258 O LEU A 15 102.363 0.257 12.604 1.00 0.00 O ATOM 259 CB LEU A 15 104.206 1.410 10.061 1.00 0.00 C ATOM 260 CG LEU A 15 103.101 0.922 9.122 1.00 0.00 C ATOM 261 CD1 LEU A 15 102.236 -0.110 9.844 1.00 0.00 C ATOM 262 CD2 LEU A 15 102.231 2.113 8.701 1.00 0.00 C ATOM 0 H LEU A 15 105.064 3.419 11.268 1.00 0.00 H new ATOM 0 HA LEU A 15 102.612 2.351 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 15 104.776 2.206 9.581 1.00 0.00 H new ATOM 0 HB3 LEU A 15 104.903 0.598 10.267 1.00 0.00 H new ATOM 0 HG LEU A 15 103.548 0.465 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.449 -0.457 9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 15 102.854 -0.955 10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.787 0.345 10.727 1.00 0.00 H new ATOM 0 HD21 LEU A 15 101.442 1.769 8.032 1.00 0.00 H new ATOM 0 HD22 LEU A 15 101.784 2.568 9.585 1.00 0.00 H new ATOM 0 HD23 LEU A 15 102.848 2.850 8.187 1.00 0.00 H new ATOM 274 N LYS A 16 104.580 0.337 12.930 1.00 0.00 N ATOM 275 CA LYS A 16 104.563 -0.753 13.896 1.00 0.00 C ATOM 276 C LYS A 16 103.721 -0.386 15.120 1.00 0.00 C ATOM 277 O LYS A 16 102.972 -1.211 15.647 1.00 0.00 O ATOM 278 CB LYS A 16 105.987 -1.102 14.321 1.00 0.00 C ATOM 279 CG LYS A 16 106.665 -1.911 13.216 1.00 0.00 C ATOM 280 CD LYS A 16 108.073 -2.307 13.662 1.00 0.00 C ATOM 281 CE LYS A 16 108.678 -3.285 12.653 1.00 0.00 C ATOM 282 NZ LYS A 16 109.784 -4.033 13.302 1.00 0.00 N ATOM 0 H LYS A 16 105.503 0.733 12.750 1.00 0.00 H new ATOM 0 HA LYS A 16 104.111 -1.623 13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 16 106.552 -0.191 14.519 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.971 -1.675 15.248 1.00 0.00 H new ATOM 0 HG2 LYS A 16 106.079 -2.802 12.992 1.00 0.00 H new ATOM 0 HG3 LYS A 16 106.715 -1.324 12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 16 108.701 -1.420 13.745 1.00 0.00 H new ATOM 0 HD3 LYS A 16 108.036 -2.765 14.650 1.00 0.00 H new ATOM 0 HE2 LYS A 16 107.915 -3.977 12.297 1.00 0.00 H new ATOM 0 HE3 LYS A 16 109.050 -2.745 11.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 110.177 -4.723 12.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 110.530 -3.368 13.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 109.421 -4.532 14.139 1.00 0.00 H new ATOM 296 N GLN A 17 103.841 0.862 15.554 1.00 0.00 N ATOM 297 CA GLN A 17 103.072 1.341 16.704 1.00 0.00 C ATOM 298 C GLN A 17 101.579 1.318 16.374 1.00 0.00 C ATOM 299 O GLN A 17 100.781 0.670 17.064 1.00 0.00 O ATOM 300 CB GLN A 17 103.513 2.757 17.078 1.00 0.00 C ATOM 301 CG GLN A 17 104.726 2.684 18.003 1.00 0.00 C ATOM 302 CD GLN A 17 105.258 4.086 18.270 1.00 0.00 C ATOM 303 OE1 GLN A 17 104.746 5.061 17.721 1.00 0.00 O ATOM 304 NE2 GLN A 17 106.258 4.247 19.093 1.00 0.00 N ATOM 0 H GLN A 17 104.457 1.558 15.134 1.00 0.00 H new ATOM 0 HA GLN A 17 103.255 0.685 17.555 1.00 0.00 H new ATOM 0 HB2 GLN A 17 103.761 3.322 16.179 1.00 0.00 H new ATOM 0 HB3 GLN A 17 102.697 3.285 17.571 1.00 0.00 H new ATOM 0 HG2 GLN A 17 104.450 2.205 18.942 1.00 0.00 H new ATOM 0 HG3 GLN A 17 105.504 2.070 17.549 1.00 0.00 H new ATOM 0 HE21 GLN A 17 106.681 3.437 19.547 1.00 0.00 H new ATOM 0 HE22 GLN A 17 106.617 5.183 19.282 1.00 0.00 H new ATOM 313 N ALA A 18 101.210 2.021 15.305 1.00 0.00 N ATOM 314 CA ALA A 18 99.818 2.067 14.871 1.00 0.00 C ATOM 315 C ALA A 18 99.289 0.657 14.643 1.00 0.00 C ATOM 316 O ALA A 18 98.085 0.430 14.565 1.00 0.00 O ATOM 317 CB ALA A 18 99.692 2.874 13.579 1.00 0.00 C ATOM 0 H ALA A 18 101.852 2.563 14.727 1.00 0.00 H new ATOM 0 HA ALA A 18 99.230 2.548 15.653 1.00 0.00 H new ATOM 0 HB1 ALA A 18 98.648 2.900 13.267 1.00 0.00 H new ATOM 0 HB2 ALA A 18 100.045 3.891 13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 18 100.293 2.407 12.798 1.00 0.00 H new ATOM 323 N LEU A 19 100.211 -0.290 14.555 1.00 0.00 N ATOM 324 CA LEU A 19 99.844 -1.693 14.372 1.00 0.00 C ATOM 325 C LEU A 19 99.611 -2.385 15.713 1.00 0.00 C ATOM 326 O LEU A 19 98.575 -3.007 15.935 1.00 0.00 O ATOM 327 CB LEU A 19 100.923 -2.439 13.589 1.00 0.00 C ATOM 328 CG LEU A 19 100.556 -2.468 12.105 1.00 0.00 C ATOM 329 CD1 LEU A 19 101.698 -3.095 11.310 1.00 0.00 C ATOM 330 CD2 LEU A 19 99.281 -3.296 11.903 1.00 0.00 C ATOM 0 H LEU A 19 101.215 -0.118 14.607 1.00 0.00 H new ATOM 0 HA LEU A 19 98.914 -1.714 13.804 1.00 0.00 H new ATOM 0 HB2 LEU A 19 101.888 -1.951 13.725 1.00 0.00 H new ATOM 0 HB3 LEU A 19 101.024 -3.456 13.968 1.00 0.00 H new ATOM 0 HG LEU A 19 100.384 -1.449 11.757 1.00 0.00 H new ATOM 0 HD11 LEU A 19 101.436 -3.116 10.252 1.00 0.00 H new ATOM 0 HD12 LEU A 19 102.604 -2.505 11.448 1.00 0.00 H new ATOM 0 HD13 LEU A 19 101.870 -4.112 11.661 1.00 0.00 H new ATOM 0 HD21 LEU A 19 99.023 -3.314 10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 19 99.449 -4.314 12.253 1.00 0.00 H new ATOM 0 HD23 LEU A 19 98.463 -2.849 12.468 1.00 0.00 H new ATOM 342 N LYS A 20 100.592 -2.283 16.597 1.00 0.00 N ATOM 343 CA LYS A 20 100.492 -2.911 17.907 1.00 0.00 C ATOM 344 C LYS A 20 99.094 -2.740 18.484 1.00 0.00 C ATOM 345 O LYS A 20 98.556 -3.655 19.113 1.00 0.00 O ATOM 346 CB LYS A 20 101.518 -2.294 18.859 1.00 0.00 C ATOM 347 CG LYS A 20 101.492 -3.040 20.196 1.00 0.00 C ATOM 348 CD LYS A 20 102.583 -2.484 21.112 1.00 0.00 C ATOM 349 CE LYS A 20 102.532 -3.201 22.463 1.00 0.00 C ATOM 350 NZ LYS A 20 103.201 -4.527 22.350 1.00 0.00 N ATOM 0 H LYS A 20 101.461 -1.775 16.434 1.00 0.00 H new ATOM 0 HA LYS A 20 100.693 -3.976 17.792 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.514 -2.348 18.420 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.295 -1.239 19.016 1.00 0.00 H new ATOM 0 HG2 LYS A 20 100.515 -2.929 20.667 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.648 -4.106 20.033 1.00 0.00 H new ATOM 0 HD2 LYS A 20 103.562 -2.621 20.653 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.443 -1.412 21.252 1.00 0.00 H new ATOM 0 HE2 LYS A 20 103.025 -2.597 23.225 1.00 0.00 H new ATOM 0 HE3 LYS A 20 101.497 -3.330 22.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 103.166 -5.013 23.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 102.712 -5.103 21.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 104.193 -4.392 22.068 1.00 0.00 H new ATOM 364 N THR A 21 98.514 -1.567 18.267 1.00 0.00 N ATOM 365 CA THR A 21 97.173 -1.288 18.773 1.00 0.00 C ATOM 366 C THR A 21 96.157 -2.260 18.177 1.00 0.00 C ATOM 367 O THR A 21 95.196 -2.653 18.840 1.00 0.00 O ATOM 368 CB THR A 21 96.773 0.147 18.432 1.00 0.00 C ATOM 369 OG1 THR A 21 95.368 0.294 18.572 1.00 0.00 O ATOM 370 CG2 THR A 21 97.172 0.453 16.994 1.00 0.00 C ATOM 0 H THR A 21 98.944 -0.800 17.750 1.00 0.00 H new ATOM 0 HA THR A 21 97.183 -1.414 19.856 1.00 0.00 H new ATOM 0 HB THR A 21 97.279 0.836 19.108 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.112 1.215 18.355 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.888 1.476 16.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 98.250 0.339 16.884 1.00 0.00 H new ATOM 0 HG23 THR A 21 96.663 -0.237 16.321 1.00 0.00 H new ATOM 378 N ARG A 22 96.375 -2.640 16.923 1.00 0.00 N ATOM 379 CA ARG A 22 95.474 -3.563 16.247 1.00 0.00 C ATOM 380 C ARG A 22 95.582 -4.958 16.847 1.00 0.00 C ATOM 381 O ARG A 22 94.778 -5.841 16.537 1.00 0.00 O ATOM 382 CB ARG A 22 95.794 -3.615 14.748 1.00 0.00 C ATOM 383 CG ARG A 22 95.248 -2.362 14.058 1.00 0.00 C ATOM 384 CD ARG A 22 93.789 -2.594 13.659 1.00 0.00 C ATOM 385 NE ARG A 22 93.716 -3.552 12.565 1.00 0.00 N ATOM 386 CZ ARG A 22 92.544 -3.971 12.099 1.00 0.00 C ATOM 387 NH1 ARG A 22 92.502 -4.827 11.116 1.00 0.00 N ATOM 388 NH2 ARG A 22 91.436 -3.526 12.624 1.00 0.00 N ATOM 0 H ARG A 22 97.163 -2.325 16.358 1.00 0.00 H new ATOM 0 HA ARG A 22 94.454 -3.204 16.382 1.00 0.00 H new ATOM 0 HB2 ARG A 22 96.872 -3.683 14.599 1.00 0.00 H new ATOM 0 HB3 ARG A 22 95.354 -4.507 14.303 1.00 0.00 H new ATOM 0 HG2 ARG A 22 95.321 -1.504 14.727 1.00 0.00 H new ATOM 0 HG3 ARG A 22 95.845 -2.130 13.176 1.00 0.00 H new ATOM 0 HD2 ARG A 22 93.224 -2.964 14.515 1.00 0.00 H new ATOM 0 HD3 ARG A 22 93.332 -1.651 13.358 1.00 0.00 H new ATOM 0 HE ARG A 22 94.577 -3.907 12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 22 93.368 -5.175 10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 22 91.603 -5.149 10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 22 91.469 -2.856 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 22 90.537 -3.848 12.266 1.00 0.00 H new ATOM 402 N GLY A 23 96.575 -5.148 17.707 1.00 0.00 N ATOM 403 CA GLY A 23 96.778 -6.446 18.352 1.00 0.00 C ATOM 404 C GLY A 23 97.997 -7.157 17.775 1.00 0.00 C ATOM 405 O GLY A 23 98.049 -8.387 17.746 1.00 0.00 O ATOM 0 H GLY A 23 97.248 -4.430 17.974 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.908 -6.307 19.425 1.00 0.00 H new ATOM 0 HA3 GLY A 23 95.892 -7.066 18.216 1.00 0.00 H new ATOM 409 N VAL A 24 98.973 -6.376 17.317 1.00 0.00 N ATOM 410 CA VAL A 24 100.185 -6.946 16.746 1.00 0.00 C ATOM 411 C VAL A 24 101.362 -6.773 17.705 1.00 0.00 C ATOM 412 O VAL A 24 101.280 -6.010 18.667 1.00 0.00 O ATOM 413 CB VAL A 24 100.507 -6.266 15.416 1.00 0.00 C ATOM 414 CG1 VAL A 24 101.482 -7.131 14.611 1.00 0.00 C ATOM 415 CG2 VAL A 24 99.216 -6.079 14.615 1.00 0.00 C ATOM 0 H VAL A 24 98.947 -5.356 17.331 1.00 0.00 H new ATOM 0 HA VAL A 24 100.019 -8.010 16.579 1.00 0.00 H new ATOM 0 HB VAL A 24 100.964 -5.296 15.611 1.00 0.00 H new ATOM 0 HG11 VAL A 24 101.707 -6.640 13.664 1.00 0.00 H new ATOM 0 HG12 VAL A 24 102.403 -7.265 15.178 1.00 0.00 H new ATOM 0 HG13 VAL A 24 101.030 -8.104 14.417 1.00 0.00 H new ATOM 0 HG21 VAL A 24 99.444 -5.594 13.666 1.00 0.00 H new ATOM 0 HG22 VAL A 24 98.761 -7.051 14.426 1.00 0.00 H new ATOM 0 HG23 VAL A 24 98.522 -5.458 15.182 1.00 0.00 H new ATOM 425 N LYS A 25 102.458 -7.476 17.430 1.00 0.00 N ATOM 426 CA LYS A 25 103.644 -7.378 18.266 1.00 0.00 C ATOM 427 C LYS A 25 104.766 -6.668 17.514 1.00 0.00 C ATOM 428 O LYS A 25 104.872 -6.783 16.293 1.00 0.00 O ATOM 429 CB LYS A 25 104.109 -8.771 18.681 1.00 0.00 C ATOM 430 CG LYS A 25 103.013 -9.447 19.509 1.00 0.00 C ATOM 431 CD LYS A 25 103.548 -10.755 20.096 1.00 0.00 C ATOM 432 CE LYS A 25 103.791 -11.767 18.974 1.00 0.00 C ATOM 433 NZ LYS A 25 103.890 -13.135 19.551 1.00 0.00 N ATOM 0 H LYS A 25 102.546 -8.115 16.640 1.00 0.00 H new ATOM 0 HA LYS A 25 103.393 -6.802 19.156 1.00 0.00 H new ATOM 0 HB2 LYS A 25 104.334 -9.369 17.798 1.00 0.00 H new ATOM 0 HB3 LYS A 25 105.029 -8.701 19.262 1.00 0.00 H new ATOM 0 HG2 LYS A 25 102.687 -8.784 20.310 1.00 0.00 H new ATOM 0 HG3 LYS A 25 102.142 -9.646 18.885 1.00 0.00 H new ATOM 0 HD2 LYS A 25 104.476 -10.569 20.637 1.00 0.00 H new ATOM 0 HD3 LYS A 25 102.836 -11.160 20.815 1.00 0.00 H new ATOM 0 HE2 LYS A 25 102.978 -11.725 18.249 1.00 0.00 H new ATOM 0 HE3 LYS A 25 104.708 -11.519 18.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 104.055 -13.822 18.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 104.680 -13.171 20.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 103.004 -13.369 20.042 1.00 0.00 H new ATOM 447 N VAL A 26 105.595 -5.932 18.252 1.00 0.00 N ATOM 448 CA VAL A 26 106.704 -5.200 17.643 1.00 0.00 C ATOM 449 C VAL A 26 108.014 -5.504 18.368 1.00 0.00 C ATOM 450 O VAL A 26 108.430 -4.779 19.271 1.00 0.00 O ATOM 451 CB VAL A 26 106.421 -3.696 17.691 1.00 0.00 C ATOM 452 CG1 VAL A 26 105.067 -3.410 17.041 1.00 0.00 C ATOM 453 CG2 VAL A 26 106.385 -3.230 19.151 1.00 0.00 C ATOM 0 H VAL A 26 105.521 -5.827 19.264 1.00 0.00 H new ATOM 0 HA VAL A 26 106.801 -5.518 16.605 1.00 0.00 H new ATOM 0 HB VAL A 26 107.206 -3.164 17.154 1.00 0.00 H new ATOM 0 HG11 VAL A 26 104.866 -2.339 17.075 1.00 0.00 H new ATOM 0 HG12 VAL A 26 105.084 -3.743 16.003 1.00 0.00 H new ATOM 0 HG13 VAL A 26 104.284 -3.944 17.580 1.00 0.00 H new ATOM 0 HG21 VAL A 26 106.184 -2.159 19.186 1.00 0.00 H new ATOM 0 HG22 VAL A 26 105.599 -3.765 19.684 1.00 0.00 H new ATOM 0 HG23 VAL A 26 107.347 -3.434 19.622 1.00 0.00 H new ATOM 463 N LYS A 27 108.665 -6.580 17.961 1.00 0.00 N ATOM 464 CA LYS A 27 109.926 -6.969 18.573 1.00 0.00 C ATOM 465 C LYS A 27 111.089 -6.755 17.609 1.00 0.00 C ATOM 466 O LYS A 27 110.884 -6.582 16.416 1.00 0.00 O ATOM 467 CB LYS A 27 109.880 -8.434 19.008 1.00 0.00 C ATOM 468 CG LYS A 27 110.887 -8.692 20.141 1.00 0.00 C ATOM 469 CD LYS A 27 112.031 -9.570 19.637 1.00 0.00 C ATOM 470 CE LYS A 27 112.845 -10.068 20.824 1.00 0.00 C ATOM 471 NZ LYS A 27 113.973 -10.904 20.328 1.00 0.00 N ATOM 0 H LYS A 27 108.345 -7.197 17.214 1.00 0.00 H new ATOM 0 HA LYS A 27 110.080 -6.340 19.450 1.00 0.00 H new ATOM 0 HB2 LYS A 27 108.874 -8.689 19.343 1.00 0.00 H new ATOM 0 HB3 LYS A 27 110.106 -9.079 18.159 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.281 -7.745 20.511 1.00 0.00 H new ATOM 0 HG3 LYS A 27 110.387 -9.178 20.979 1.00 0.00 H new ATOM 0 HD2 LYS A 27 111.635 -10.415 19.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 112.667 -9.003 18.957 1.00 0.00 H new ATOM 0 HE2 LYS A 27 113.227 -9.224 21.398 1.00 0.00 H new ATOM 0 HE3 LYS A 27 112.213 -10.650 21.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 114.532 -11.247 21.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 113.597 -11.716 19.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 114.579 -10.334 19.704 1.00 0.00 H new ATOM 485 N TYR A 28 112.310 -6.784 18.132 1.00 0.00 N ATOM 486 CA TYR A 28 113.493 -6.599 17.294 1.00 0.00 C ATOM 487 C TYR A 28 113.486 -7.587 16.128 1.00 0.00 C ATOM 488 O TYR A 28 113.803 -7.228 14.995 1.00 0.00 O ATOM 489 CB TYR A 28 114.755 -6.805 18.132 1.00 0.00 C ATOM 490 CG TYR A 28 114.798 -5.783 19.241 1.00 0.00 C ATOM 491 CD1 TYR A 28 114.293 -6.103 20.507 1.00 0.00 C ATOM 492 CD2 TYR A 28 115.340 -4.515 19.004 1.00 0.00 C ATOM 493 CE1 TYR A 28 114.331 -5.155 21.536 1.00 0.00 C ATOM 494 CE2 TYR A 28 115.379 -3.566 20.033 1.00 0.00 C ATOM 495 CZ TYR A 28 114.874 -3.886 21.299 1.00 0.00 C ATOM 496 OH TYR A 28 114.912 -2.952 22.313 1.00 0.00 O ATOM 0 H TYR A 28 112.508 -6.932 19.122 1.00 0.00 H new ATOM 0 HA TYR A 28 113.480 -5.585 16.894 1.00 0.00 H new ATOM 0 HB2 TYR A 28 114.766 -7.811 18.551 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.641 -6.712 17.503 1.00 0.00 H new ATOM 0 HD1 TYR A 28 113.874 -7.082 20.690 1.00 0.00 H new ATOM 0 HD2 TYR A 28 115.728 -4.268 18.027 1.00 0.00 H new ATOM 0 HE1 TYR A 28 113.942 -5.402 22.513 1.00 0.00 H new ATOM 0 HE2 TYR A 28 115.798 -2.588 19.850 1.00 0.00 H new ATOM 0 HH TYR A 28 115.321 -2.125 21.981 1.00 0.00 H new ATOM 506 N ALA A 29 113.109 -8.829 16.414 1.00 0.00 N ATOM 507 CA ALA A 29 113.051 -9.862 15.392 1.00 0.00 C ATOM 508 C ALA A 29 112.126 -9.440 14.254 1.00 0.00 C ATOM 509 O ALA A 29 112.232 -9.935 13.131 1.00 0.00 O ATOM 510 CB ALA A 29 112.561 -11.180 15.989 1.00 0.00 C ATOM 0 H ALA A 29 112.839 -9.142 17.346 1.00 0.00 H new ATOM 0 HA ALA A 29 114.057 -10.003 14.997 1.00 0.00 H new ATOM 0 HB1 ALA A 29 112.524 -11.941 15.210 1.00 0.00 H new ATOM 0 HB2 ALA A 29 113.244 -11.499 16.776 1.00 0.00 H new ATOM 0 HB3 ALA A 29 111.564 -11.041 16.408 1.00 0.00 H new ATOM 516 N ASP A 30 111.217 -8.523 14.556 1.00 0.00 N ATOM 517 CA ASP A 30 110.265 -8.036 13.556 1.00 0.00 C ATOM 518 C ASP A 30 110.967 -7.162 12.530 1.00 0.00 C ATOM 519 O ASP A 30 110.685 -7.242 11.336 1.00 0.00 O ATOM 520 CB ASP A 30 109.142 -7.254 14.232 1.00 0.00 C ATOM 521 CG ASP A 30 108.011 -6.995 13.242 1.00 0.00 C ATOM 522 OD1 ASP A 30 107.104 -6.256 13.589 1.00 0.00 O ATOM 523 OD2 ASP A 30 108.071 -7.537 12.151 1.00 0.00 O ATOM 0 H ASP A 30 111.115 -8.101 15.479 1.00 0.00 H new ATOM 0 HA ASP A 30 109.836 -8.896 13.042 1.00 0.00 H new ATOM 0 HB2 ASP A 30 108.765 -7.812 15.089 1.00 0.00 H new ATOM 0 HB3 ASP A 30 109.526 -6.308 14.613 1.00 0.00 H new ATOM 528 N LEU A 31 111.879 -6.325 13.002 1.00 0.00 N ATOM 529 CA LEU A 31 112.616 -5.444 12.104 1.00 0.00 C ATOM 530 C LEU A 31 113.483 -6.262 11.161 1.00 0.00 C ATOM 531 O LEU A 31 113.576 -5.970 9.989 1.00 0.00 O ATOM 532 CB LEU A 31 113.511 -4.498 12.921 1.00 0.00 C ATOM 533 CG LEU A 31 112.685 -3.330 13.467 1.00 0.00 C ATOM 534 CD1 LEU A 31 112.143 -3.696 14.851 1.00 0.00 C ATOM 535 CD2 LEU A 31 113.560 -2.087 13.572 1.00 0.00 C ATOM 0 H LEU A 31 112.125 -6.236 13.988 1.00 0.00 H new ATOM 0 HA LEU A 31 111.901 -4.862 11.522 1.00 0.00 H new ATOM 0 HB2 LEU A 31 113.973 -5.043 13.744 1.00 0.00 H new ATOM 0 HB3 LEU A 31 114.320 -4.120 12.296 1.00 0.00 H new ATOM 0 HG LEU A 31 111.854 -3.126 12.792 1.00 0.00 H new ATOM 0 HD11 LEU A 31 111.554 -2.866 15.242 1.00 0.00 H new ATOM 0 HD12 LEU A 31 111.513 -4.582 14.772 1.00 0.00 H new ATOM 0 HD13 LEU A 31 112.975 -3.901 15.525 1.00 0.00 H new ATOM 0 HD21 LEU A 31 112.969 -1.258 13.961 1.00 0.00 H new ATOM 0 HD22 LEU A 31 114.394 -2.285 14.245 1.00 0.00 H new ATOM 0 HD23 LEU A 31 113.944 -1.828 12.585 1.00 0.00 H new ATOM 547 N LEU A 32 114.136 -7.279 11.683 1.00 0.00 N ATOM 548 CA LEU A 32 115.018 -8.094 10.852 1.00 0.00 C ATOM 549 C LEU A 32 114.257 -8.702 9.681 1.00 0.00 C ATOM 550 O LEU A 32 114.696 -8.627 8.539 1.00 0.00 O ATOM 551 CB LEU A 32 115.605 -9.227 11.700 1.00 0.00 C ATOM 552 CG LEU A 32 116.172 -8.646 13.004 1.00 0.00 C ATOM 553 CD1 LEU A 32 116.747 -9.775 13.863 1.00 0.00 C ATOM 554 CD2 LEU A 32 117.283 -7.642 12.676 1.00 0.00 C ATOM 0 H LEU A 32 114.080 -7.563 12.661 1.00 0.00 H new ATOM 0 HA LEU A 32 115.811 -7.455 10.463 1.00 0.00 H new ATOM 0 HB2 LEU A 32 114.835 -9.966 11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 32 116.390 -9.741 11.146 1.00 0.00 H new ATOM 0 HG LEU A 32 115.374 -8.143 13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 32 117.149 -9.360 14.788 1.00 0.00 H new ATOM 0 HD12 LEU A 32 115.959 -10.490 14.098 1.00 0.00 H new ATOM 0 HD13 LEU A 32 117.543 -10.279 13.316 1.00 0.00 H new ATOM 0 HD21 LEU A 32 117.685 -7.230 13.601 1.00 0.00 H new ATOM 0 HD22 LEU A 32 118.078 -8.146 12.127 1.00 0.00 H new ATOM 0 HD23 LEU A 32 116.876 -6.835 12.066 1.00 0.00 H new ATOM 566 N LYS A 33 113.131 -9.330 9.977 1.00 0.00 N ATOM 567 CA LYS A 33 112.331 -9.970 8.942 1.00 0.00 C ATOM 568 C LYS A 33 111.591 -8.939 8.103 1.00 0.00 C ATOM 569 O LYS A 33 111.651 -8.972 6.881 1.00 0.00 O ATOM 570 CB LYS A 33 111.314 -10.926 9.577 1.00 0.00 C ATOM 571 CG LYS A 33 110.561 -11.687 8.480 1.00 0.00 C ATOM 572 CD LYS A 33 109.521 -12.608 9.120 1.00 0.00 C ATOM 573 CE LYS A 33 108.786 -13.385 8.025 1.00 0.00 C ATOM 574 NZ LYS A 33 107.761 -14.270 8.645 1.00 0.00 N ATOM 0 H LYS A 33 112.750 -9.411 10.920 1.00 0.00 H new ATOM 0 HA LYS A 33 113.008 -10.527 8.295 1.00 0.00 H new ATOM 0 HB2 LYS A 33 111.824 -11.629 10.235 1.00 0.00 H new ATOM 0 HB3 LYS A 33 110.610 -10.366 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 33 110.073 -10.984 7.804 1.00 0.00 H new ATOM 0 HG3 LYS A 33 111.261 -12.271 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 33 110.007 -13.300 9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 33 108.811 -12.022 9.704 1.00 0.00 H new ATOM 0 HE2 LYS A 33 108.311 -12.693 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 33 109.495 -13.980 7.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 107.262 -14.798 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 108.225 -14.939 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 107.079 -13.692 9.176 1.00 0.00 H new ATOM 588 N PHE A 34 110.859 -8.060 8.769 1.00 0.00 N ATOM 589 CA PHE A 34 110.069 -7.050 8.072 1.00 0.00 C ATOM 590 C PHE A 34 110.938 -6.123 7.231 1.00 0.00 C ATOM 591 O PHE A 34 110.601 -5.800 6.086 1.00 0.00 O ATOM 592 CB PHE A 34 109.286 -6.209 9.088 1.00 0.00 C ATOM 593 CG PHE A 34 108.374 -5.253 8.356 1.00 0.00 C ATOM 594 CD1 PHE A 34 108.741 -3.909 8.208 1.00 0.00 C ATOM 595 CD2 PHE A 34 107.162 -5.710 7.823 1.00 0.00 C ATOM 596 CE1 PHE A 34 107.897 -3.023 7.528 1.00 0.00 C ATOM 597 CE2 PHE A 34 106.318 -4.824 7.143 1.00 0.00 C ATOM 598 CZ PHE A 34 106.685 -3.481 6.996 1.00 0.00 C ATOM 0 H PHE A 34 110.794 -8.023 9.786 1.00 0.00 H new ATOM 0 HA PHE A 34 109.387 -7.577 7.405 1.00 0.00 H new ATOM 0 HB2 PHE A 34 108.702 -6.858 9.740 1.00 0.00 H new ATOM 0 HB3 PHE A 34 109.975 -5.655 9.725 1.00 0.00 H new ATOM 0 HD1 PHE A 34 109.676 -3.556 8.619 1.00 0.00 H new ATOM 0 HD2 PHE A 34 106.879 -6.746 7.937 1.00 0.00 H new ATOM 0 HE1 PHE A 34 108.180 -1.987 7.414 1.00 0.00 H new ATOM 0 HE2 PHE A 34 105.384 -5.177 6.732 1.00 0.00 H new ATOM 0 HZ PHE A 34 106.033 -2.798 6.472 1.00 0.00 H new ATOM 608 N PHE A 35 112.072 -5.729 7.793 1.00 0.00 N ATOM 609 CA PHE A 35 112.991 -4.839 7.096 1.00 0.00 C ATOM 610 C PHE A 35 113.717 -5.577 5.971 1.00 0.00 C ATOM 611 O PHE A 35 113.890 -5.045 4.875 1.00 0.00 O ATOM 612 CB PHE A 35 114.007 -4.262 8.080 1.00 0.00 C ATOM 613 CG PHE A 35 114.605 -3.005 7.512 1.00 0.00 C ATOM 614 CD1 PHE A 35 114.248 -1.760 8.045 1.00 0.00 C ATOM 615 CD2 PHE A 35 115.513 -3.077 6.449 1.00 0.00 C ATOM 616 CE1 PHE A 35 114.800 -0.588 7.514 1.00 0.00 C ATOM 617 CE2 PHE A 35 116.064 -1.905 5.918 1.00 0.00 C ATOM 618 CZ PHE A 35 115.708 -0.660 6.451 1.00 0.00 C ATOM 0 H PHE A 35 112.377 -6.010 8.725 1.00 0.00 H new ATOM 0 HA PHE A 35 112.413 -4.026 6.657 1.00 0.00 H new ATOM 0 HB2 PHE A 35 113.523 -4.048 9.033 1.00 0.00 H new ATOM 0 HB3 PHE A 35 114.792 -4.992 8.278 1.00 0.00 H new ATOM 0 HD1 PHE A 35 113.547 -1.704 8.865 1.00 0.00 H new ATOM 0 HD2 PHE A 35 115.788 -4.037 6.038 1.00 0.00 H new ATOM 0 HE1 PHE A 35 114.525 0.372 7.925 1.00 0.00 H new ATOM 0 HE2 PHE A 35 116.764 -1.961 5.097 1.00 0.00 H new ATOM 0 HZ PHE A 35 116.134 0.244 6.042 1.00 0.00 H new ATOM 628 N ASP A 36 114.167 -6.800 6.260 1.00 0.00 N ATOM 629 CA ASP A 36 114.891 -7.589 5.271 1.00 0.00 C ATOM 630 C ASP A 36 113.961 -8.019 4.140 1.00 0.00 C ATOM 631 O ASP A 36 114.371 -8.119 2.986 1.00 0.00 O ATOM 632 CB ASP A 36 115.505 -8.825 5.932 1.00 0.00 C ATOM 633 CG ASP A 36 116.282 -9.641 4.905 1.00 0.00 C ATOM 634 OD1 ASP A 36 116.242 -9.279 3.740 1.00 0.00 O ATOM 635 OD2 ASP A 36 116.900 -10.618 5.294 1.00 0.00 O ATOM 0 H ASP A 36 114.043 -7.259 7.163 1.00 0.00 H new ATOM 0 HA ASP A 36 115.686 -6.971 4.854 1.00 0.00 H new ATOM 0 HB2 ASP A 36 116.168 -8.521 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 36 114.720 -9.437 6.375 1.00 0.00 H new ATOM 640 N PHE A 37 112.707 -8.290 4.486 1.00 0.00 N ATOM 641 CA PHE A 37 111.735 -8.732 3.496 1.00 0.00 C ATOM 642 C PHE A 37 111.609 -7.723 2.369 1.00 0.00 C ATOM 643 O PHE A 37 111.703 -8.077 1.193 1.00 0.00 O ATOM 644 CB PHE A 37 110.365 -8.922 4.159 1.00 0.00 C ATOM 645 CG PHE A 37 110.138 -10.387 4.445 1.00 0.00 C ATOM 646 CD1 PHE A 37 108.913 -10.980 4.116 1.00 0.00 C ATOM 647 CD2 PHE A 37 111.150 -11.153 5.037 1.00 0.00 C ATOM 648 CE1 PHE A 37 108.700 -12.340 4.377 1.00 0.00 C ATOM 649 CE2 PHE A 37 110.937 -12.512 5.297 1.00 0.00 C ATOM 650 CZ PHE A 37 109.713 -13.105 4.967 1.00 0.00 C ATOM 0 H PHE A 37 112.343 -8.212 5.436 1.00 0.00 H new ATOM 0 HA PHE A 37 112.081 -9.679 3.081 1.00 0.00 H new ATOM 0 HB2 PHE A 37 110.315 -8.349 5.085 1.00 0.00 H new ATOM 0 HB3 PHE A 37 109.579 -8.543 3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 37 108.132 -10.389 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 37 112.094 -10.696 5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 37 107.755 -12.798 4.123 1.00 0.00 H new ATOM 0 HE2 PHE A 37 111.718 -13.103 5.753 1.00 0.00 H new ATOM 0 HZ PHE A 37 109.550 -14.154 5.168 1.00 0.00 H new ATOM 660 N VAL A 38 111.409 -6.468 2.735 1.00 0.00 N ATOM 661 CA VAL A 38 111.282 -5.408 1.734 1.00 0.00 C ATOM 662 C VAL A 38 112.624 -5.120 1.071 1.00 0.00 C ATOM 663 O VAL A 38 112.698 -4.925 -0.137 1.00 0.00 O ATOM 664 CB VAL A 38 110.746 -4.131 2.384 1.00 0.00 C ATOM 665 CG1 VAL A 38 109.275 -4.323 2.756 1.00 0.00 C ATOM 666 CG2 VAL A 38 111.556 -3.826 3.645 1.00 0.00 C ATOM 0 H VAL A 38 111.331 -6.155 3.703 1.00 0.00 H new ATOM 0 HA VAL A 38 110.583 -5.747 0.970 1.00 0.00 H new ATOM 0 HB VAL A 38 110.835 -3.301 1.683 1.00 0.00 H new ATOM 0 HG11 VAL A 38 108.895 -3.412 3.219 1.00 0.00 H new ATOM 0 HG12 VAL A 38 108.698 -4.541 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 38 109.182 -5.152 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 38 111.176 -2.916 4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 38 111.466 -4.657 4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 38 112.604 -3.687 3.380 1.00 0.00 H new ATOM 676 N LYS A 39 113.677 -5.096 1.872 1.00 0.00 N ATOM 677 CA LYS A 39 115.016 -4.821 1.355 1.00 0.00 C ATOM 678 C LYS A 39 115.413 -5.869 0.324 1.00 0.00 C ATOM 679 O LYS A 39 116.255 -5.616 -0.537 1.00 0.00 O ATOM 680 CB LYS A 39 116.027 -4.817 2.505 1.00 0.00 C ATOM 681 CG LYS A 39 117.384 -4.331 1.991 1.00 0.00 C ATOM 682 CD LYS A 39 118.372 -4.244 3.156 1.00 0.00 C ATOM 683 CE LYS A 39 119.729 -3.761 2.641 1.00 0.00 C ATOM 684 NZ LYS A 39 120.690 -3.676 3.777 1.00 0.00 N ATOM 0 H LYS A 39 113.636 -5.262 2.878 1.00 0.00 H new ATOM 0 HA LYS A 39 115.011 -3.842 0.876 1.00 0.00 H new ATOM 0 HB2 LYS A 39 115.677 -4.169 3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 39 116.122 -5.819 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 39 117.762 -5.014 1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 39 117.277 -3.355 1.518 1.00 0.00 H new ATOM 0 HD2 LYS A 39 117.995 -3.559 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 39 118.478 -5.220 3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 39 120.107 -4.446 1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 39 119.624 -2.786 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 121.613 -3.348 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 120.330 -3.006 4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 120.798 -4.615 4.211 1.00 0.00 H new ATOM 698 N ASP A 40 114.823 -7.056 0.434 1.00 0.00 N ATOM 699 CA ASP A 40 115.147 -8.139 -0.485 1.00 0.00 C ATOM 700 C ASP A 40 114.939 -7.709 -1.933 1.00 0.00 C ATOM 701 O ASP A 40 115.858 -7.793 -2.748 1.00 0.00 O ATOM 702 CB ASP A 40 114.256 -9.351 -0.189 1.00 0.00 C ATOM 703 CG ASP A 40 114.736 -10.556 -0.989 1.00 0.00 C ATOM 704 OD1 ASP A 40 115.714 -10.416 -1.706 1.00 0.00 O ATOM 705 OD2 ASP A 40 114.120 -11.601 -0.873 1.00 0.00 O ATOM 0 H ASP A 40 114.127 -7.289 1.142 1.00 0.00 H new ATOM 0 HA ASP A 40 116.196 -8.401 -0.345 1.00 0.00 H new ATOM 0 HB2 ASP A 40 114.279 -9.579 0.877 1.00 0.00 H new ATOM 0 HB3 ASP A 40 113.221 -9.123 -0.444 1.00 0.00 H new ATOM 710 N THR A 41 113.732 -7.250 -2.244 1.00 0.00 N ATOM 711 CA THR A 41 113.416 -6.813 -3.601 1.00 0.00 C ATOM 712 C THR A 41 113.164 -5.311 -3.642 1.00 0.00 C ATOM 713 O THR A 41 112.922 -4.745 -4.708 1.00 0.00 O ATOM 714 CB THR A 41 112.178 -7.558 -4.108 1.00 0.00 C ATOM 715 OG1 THR A 41 111.174 -7.547 -3.102 1.00 0.00 O ATOM 716 CG2 THR A 41 112.551 -9.004 -4.443 1.00 0.00 C ATOM 0 H THR A 41 112.961 -7.171 -1.581 1.00 0.00 H new ATOM 0 HA THR A 41 114.268 -7.038 -4.243 1.00 0.00 H new ATOM 0 HB THR A 41 111.800 -7.066 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 41 110.381 -8.022 -3.426 1.00 0.00 H new ATOM 0 HG21 THR A 41 111.669 -9.533 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 41 113.320 -9.012 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 41 112.930 -9.498 -3.549 1.00 0.00 H new ATOM 724 N CYS A 42 113.203 -4.677 -2.474 1.00 0.00 N ATOM 725 CA CYS A 42 112.958 -3.240 -2.386 1.00 0.00 C ATOM 726 C CYS A 42 111.830 -2.828 -3.331 1.00 0.00 C ATOM 727 O CYS A 42 112.031 -2.035 -4.245 1.00 0.00 O ATOM 728 CB CYS A 42 114.230 -2.476 -2.732 1.00 0.00 C ATOM 729 SG CYS A 42 115.667 -3.380 -2.106 1.00 0.00 S ATOM 0 H CYS A 42 113.400 -5.130 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 42 112.660 -3.000 -1.365 1.00 0.00 H new ATOM 0 HB2 CYS A 42 114.309 -2.350 -3.812 1.00 0.00 H new ATOM 0 HB3 CYS A 42 114.197 -1.478 -2.296 1.00 0.00 H new ATOM 0 HG CYS A 42 115.301 -4.569 -1.728 1.00 0.00 H new ATOM 735 N PRO A 43 110.656 -3.363 -3.129 1.00 0.00 N ATOM 736 CA PRO A 43 109.470 -3.049 -3.969 1.00 0.00 C ATOM 737 C PRO A 43 108.800 -1.738 -3.567 1.00 0.00 C ATOM 738 O PRO A 43 107.942 -1.221 -4.283 1.00 0.00 O ATOM 739 CB PRO A 43 108.541 -4.238 -3.737 1.00 0.00 C ATOM 740 CG PRO A 43 108.890 -4.764 -2.383 1.00 0.00 C ATOM 741 CD PRO A 43 110.320 -4.316 -2.061 1.00 0.00 C ATOM 0 HA PRO A 43 109.737 -2.909 -5.016 1.00 0.00 H new ATOM 0 HB2 PRO A 43 107.496 -3.933 -3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 43 108.683 -5.001 -4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 43 108.193 -4.385 -1.635 1.00 0.00 H new ATOM 0 HG3 PRO A 43 108.817 -5.851 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 43 110.378 -3.848 -1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 43 111.008 -5.161 -2.052 1.00 0.00 H new ATOM 749 N TRP A 44 109.185 -1.219 -2.405 1.00 0.00 N ATOM 750 CA TRP A 44 108.606 0.022 -1.902 1.00 0.00 C ATOM 751 C TRP A 44 109.208 1.230 -2.615 1.00 0.00 C ATOM 752 O TRP A 44 109.177 2.348 -2.103 1.00 0.00 O ATOM 753 CB TRP A 44 108.841 0.134 -0.394 1.00 0.00 C ATOM 754 CG TRP A 44 107.536 0.010 0.324 1.00 0.00 C ATOM 755 CD1 TRP A 44 106.747 1.047 0.684 1.00 0.00 C ATOM 756 CD2 TRP A 44 106.859 -1.197 0.780 1.00 0.00 C ATOM 757 NE1 TRP A 44 105.628 0.554 1.331 1.00 0.00 N ATOM 758 CE2 TRP A 44 105.652 -0.823 1.415 1.00 0.00 C ATOM 759 CE3 TRP A 44 107.172 -2.566 0.704 1.00 0.00 C ATOM 760 CZ2 TRP A 44 104.785 -1.774 1.956 1.00 0.00 C ATOM 761 CZ3 TRP A 44 106.302 -3.525 1.248 1.00 0.00 C ATOM 762 CH2 TRP A 44 105.111 -3.130 1.873 1.00 0.00 C ATOM 0 H TRP A 44 109.891 -1.635 -1.798 1.00 0.00 H new ATOM 0 HA TRP A 44 107.534 0.006 -2.099 1.00 0.00 H new ATOM 0 HB2 TRP A 44 109.526 -0.647 -0.063 1.00 0.00 H new ATOM 0 HB3 TRP A 44 109.309 1.090 -0.158 1.00 0.00 H new ATOM 0 HD1 TRP A 44 106.956 2.090 0.497 1.00 0.00 H new ATOM 0 HE1 TRP A 44 104.877 1.137 1.701 1.00 0.00 H new ATOM 0 HE3 TRP A 44 108.087 -2.882 0.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 103.868 -1.464 2.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 106.552 -4.574 1.184 1.00 0.00 H new ATOM 0 HH2 TRP A 44 104.447 -3.873 2.290 1.00 0.00 H new ATOM 773 N PHE A 45 109.753 0.997 -3.800 1.00 0.00 N ATOM 774 CA PHE A 45 110.354 2.071 -4.570 1.00 0.00 C ATOM 775 C PHE A 45 111.405 2.805 -3.732 1.00 0.00 C ATOM 776 O PHE A 45 111.119 3.845 -3.135 1.00 0.00 O ATOM 777 CB PHE A 45 109.290 3.055 -5.032 1.00 0.00 C ATOM 778 CG PHE A 45 108.834 2.682 -6.427 1.00 0.00 C ATOM 779 CD1 PHE A 45 109.740 2.707 -7.494 1.00 0.00 C ATOM 780 CD2 PHE A 45 107.503 2.310 -6.648 1.00 0.00 C ATOM 781 CE1 PHE A 45 109.316 2.359 -8.782 1.00 0.00 C ATOM 782 CE2 PHE A 45 107.078 1.962 -7.936 1.00 0.00 C ATOM 783 CZ PHE A 45 107.984 1.986 -9.003 1.00 0.00 C ATOM 0 H PHE A 45 109.791 0.080 -4.245 1.00 0.00 H new ATOM 0 HA PHE A 45 110.837 1.634 -5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 45 108.444 3.042 -4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 45 109.690 4.069 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 45 110.767 2.995 -7.323 1.00 0.00 H new ATOM 0 HD2 PHE A 45 106.804 2.291 -5.825 1.00 0.00 H new ATOM 0 HE1 PHE A 45 110.015 2.378 -9.605 1.00 0.00 H new ATOM 0 HE2 PHE A 45 106.051 1.675 -8.106 1.00 0.00 H new ATOM 0 HZ PHE A 45 107.656 1.717 -9.996 1.00 0.00 H new ATOM 793 N PRO A 46 112.600 2.274 -3.660 1.00 0.00 N ATOM 794 CA PRO A 46 113.703 2.873 -2.858 1.00 0.00 C ATOM 795 C PRO A 46 114.208 4.177 -3.461 1.00 0.00 C ATOM 796 O PRO A 46 115.053 4.855 -2.876 1.00 0.00 O ATOM 797 CB PRO A 46 114.790 1.798 -2.873 1.00 0.00 C ATOM 798 CG PRO A 46 114.532 0.995 -4.096 1.00 0.00 C ATOM 799 CD PRO A 46 113.035 1.043 -4.341 1.00 0.00 C ATOM 0 HA PRO A 46 113.381 3.139 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 46 115.784 2.244 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 46 114.742 1.178 -1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 46 115.077 1.402 -4.948 1.00 0.00 H new ATOM 0 HG3 PRO A 46 114.870 -0.033 -3.963 1.00 0.00 H new ATOM 0 HD2 PRO A 46 112.806 1.074 -5.406 1.00 0.00 H new ATOM 0 HD3 PRO A 46 112.536 0.164 -3.933 1.00 0.00 H new ATOM 807 N GLN A 47 113.690 4.521 -4.641 1.00 0.00 N ATOM 808 CA GLN A 47 114.116 5.749 -5.307 1.00 0.00 C ATOM 809 C GLN A 47 113.348 6.947 -4.762 1.00 0.00 C ATOM 810 O GLN A 47 113.941 7.898 -4.251 1.00 0.00 O ATOM 811 CB GLN A 47 113.855 5.627 -6.810 1.00 0.00 C ATOM 812 CG GLN A 47 114.665 4.456 -7.375 1.00 0.00 C ATOM 813 CD GLN A 47 114.347 4.267 -8.855 1.00 0.00 C ATOM 814 OE1 GLN A 47 113.660 5.093 -9.455 1.00 0.00 O ATOM 815 NE2 GLN A 47 114.810 3.219 -9.482 1.00 0.00 N ATOM 0 H GLN A 47 112.989 3.978 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 47 115.180 5.897 -5.122 1.00 0.00 H new ATOM 0 HB2 GLN A 47 112.792 5.470 -6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 47 114.133 6.552 -7.315 1.00 0.00 H new ATOM 0 HG2 GLN A 47 115.731 4.644 -7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 47 114.433 3.544 -6.825 1.00 0.00 H new ATOM 0 HE21 GLN A 47 115.379 2.536 -8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 47 114.602 3.084 -10.471 1.00 0.00 H new ATOM 824 N GLU A 48 112.024 6.883 -4.849 1.00 0.00 N ATOM 825 CA GLU A 48 111.177 7.959 -4.336 1.00 0.00 C ATOM 826 C GLU A 48 110.775 7.688 -2.893 1.00 0.00 C ATOM 827 O GLU A 48 110.421 8.605 -2.161 1.00 0.00 O ATOM 828 CB GLU A 48 109.927 8.107 -5.204 1.00 0.00 C ATOM 829 CG GLU A 48 109.338 6.725 -5.489 1.00 0.00 C ATOM 830 CD GLU A 48 108.051 6.857 -6.293 1.00 0.00 C ATOM 831 OE1 GLU A 48 107.888 6.107 -7.241 1.00 0.00 O ATOM 832 OE2 GLU A 48 107.248 7.709 -5.951 1.00 0.00 O ATOM 0 H GLU A 48 111.515 6.104 -5.266 1.00 0.00 H new ATOM 0 HA GLU A 48 111.748 8.887 -4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 48 109.191 8.730 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 48 110.178 8.607 -6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 48 110.059 6.121 -6.040 1.00 0.00 H new ATOM 0 HG3 GLU A 48 109.138 6.207 -4.551 1.00 0.00 H new ATOM 839 N GLY A 49 110.803 6.417 -2.503 1.00 0.00 N ATOM 840 CA GLY A 49 110.414 6.031 -1.148 1.00 0.00 C ATOM 841 C GLY A 49 108.928 6.299 -0.917 1.00 0.00 C ATOM 842 O GLY A 49 108.558 7.250 -0.228 1.00 0.00 O ATOM 0 H GLY A 49 111.089 5.641 -3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 49 110.627 4.974 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 49 111.006 6.587 -0.422 1.00 0.00 H new ATOM 846 N THR A 50 108.080 5.467 -1.516 1.00 0.00 N ATOM 847 CA THR A 50 106.636 5.636 -1.381 1.00 0.00 C ATOM 848 C THR A 50 105.941 4.283 -1.273 1.00 0.00 C ATOM 849 O THR A 50 106.551 3.241 -1.510 1.00 0.00 O ATOM 850 CB THR A 50 106.088 6.388 -2.598 1.00 0.00 C ATOM 851 OG1 THR A 50 104.727 6.725 -2.372 1.00 0.00 O ATOM 852 CG2 THR A 50 106.192 5.497 -3.842 1.00 0.00 C ATOM 0 H THR A 50 108.364 4.676 -2.094 1.00 0.00 H new ATOM 0 HA THR A 50 106.441 6.206 -0.473 1.00 0.00 H new ATOM 0 HB THR A 50 106.669 7.297 -2.753 1.00 0.00 H new ATOM 0 HG1 THR A 50 104.662 7.320 -1.596 1.00 0.00 H new ATOM 0 HG21 THR A 50 105.802 6.033 -4.707 1.00 0.00 H new ATOM 0 HG22 THR A 50 107.236 5.237 -4.017 1.00 0.00 H new ATOM 0 HG23 THR A 50 105.612 4.587 -3.687 1.00 0.00 H new ATOM 860 N ILE A 51 104.660 4.310 -0.927 1.00 0.00 N ATOM 861 CA ILE A 51 103.891 3.079 -0.802 1.00 0.00 C ATOM 862 C ILE A 51 103.234 2.733 -2.136 1.00 0.00 C ATOM 863 O ILE A 51 102.801 3.622 -2.868 1.00 0.00 O ATOM 864 CB ILE A 51 102.811 3.238 0.267 1.00 0.00 C ATOM 865 CG1 ILE A 51 103.321 4.161 1.372 1.00 0.00 C ATOM 866 CG2 ILE A 51 102.484 1.869 0.867 1.00 0.00 C ATOM 867 CD1 ILE A 51 102.445 4.016 2.611 1.00 0.00 C ATOM 0 H ILE A 51 104.136 5.162 -0.730 1.00 0.00 H new ATOM 0 HA ILE A 51 104.569 2.276 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 51 101.915 3.665 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 51 104.355 3.915 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 51 103.312 5.195 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 51 101.714 1.981 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 51 102.124 1.204 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 51 103.382 1.445 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 51 102.813 4.676 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 51 101.418 4.284 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 51 102.477 2.984 2.960 1.00 0.00 H new ATOM 879 N ASP A 52 103.155 1.444 -2.444 1.00 0.00 N ATOM 880 CA ASP A 52 102.534 1.004 -3.689 1.00 0.00 C ATOM 881 C ASP A 52 101.702 -0.254 -3.449 1.00 0.00 C ATOM 882 O ASP A 52 102.214 -1.286 -3.013 1.00 0.00 O ATOM 883 CB ASP A 52 103.621 0.705 -4.719 1.00 0.00 C ATOM 884 CG ASP A 52 102.989 0.301 -6.047 1.00 0.00 C ATOM 885 OD1 ASP A 52 103.711 0.221 -7.027 1.00 0.00 O ATOM 886 OD2 ASP A 52 101.789 0.082 -6.064 1.00 0.00 O ATOM 0 H ASP A 52 103.510 0.690 -1.855 1.00 0.00 H new ATOM 0 HA ASP A 52 101.881 1.795 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 52 104.251 1.583 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 52 104.266 -0.095 -4.356 1.00 0.00 H new ATOM 891 N ILE A 53 100.412 -0.154 -3.738 1.00 0.00 N ATOM 892 CA ILE A 53 99.501 -1.280 -3.558 1.00 0.00 C ATOM 893 C ILE A 53 99.734 -2.348 -4.618 1.00 0.00 C ATOM 894 O ILE A 53 99.683 -3.545 -4.332 1.00 0.00 O ATOM 895 CB ILE A 53 98.046 -0.802 -3.619 1.00 0.00 C ATOM 896 CG1 ILE A 53 97.867 0.395 -2.668 1.00 0.00 C ATOM 897 CG2 ILE A 53 97.114 -1.942 -3.187 1.00 0.00 C ATOM 898 CD1 ILE A 53 98.338 0.015 -1.255 1.00 0.00 C ATOM 0 H ILE A 53 99.972 0.693 -4.098 1.00 0.00 H new ATOM 0 HA ILE A 53 99.697 -1.716 -2.578 1.00 0.00 H new ATOM 0 HB ILE A 53 97.801 -0.501 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 53 98.437 1.249 -3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 53 96.820 0.697 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 53 96.079 -1.602 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 53 97.245 -2.792 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 53 97.355 -2.242 -2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 53 98.209 0.867 -0.587 1.00 0.00 H new ATOM 0 HD12 ILE A 53 97.749 -0.826 -0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 53 99.391 -0.265 -1.286 1.00 0.00 H new ATOM 910 N LYS A 54 99.962 -1.904 -5.850 1.00 0.00 N ATOM 911 CA LYS A 54 100.171 -2.833 -6.957 1.00 0.00 C ATOM 912 C LYS A 54 101.426 -3.681 -6.739 1.00 0.00 C ATOM 913 O LYS A 54 101.367 -4.919 -6.719 1.00 0.00 O ATOM 914 CB LYS A 54 100.311 -2.051 -8.270 1.00 0.00 C ATOM 915 CG LYS A 54 98.990 -1.347 -8.590 1.00 0.00 C ATOM 916 CD LYS A 54 99.111 -0.621 -9.932 1.00 0.00 C ATOM 917 CE LYS A 54 97.795 0.093 -10.247 1.00 0.00 C ATOM 918 NZ LYS A 54 97.906 0.780 -11.565 1.00 0.00 N ATOM 0 H LYS A 54 100.007 -0.918 -6.106 1.00 0.00 H new ATOM 0 HA LYS A 54 99.308 -3.497 -7.008 1.00 0.00 H new ATOM 0 HB2 LYS A 54 101.114 -1.319 -8.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 100.580 -2.727 -9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 54 98.179 -2.074 -8.629 1.00 0.00 H new ATOM 0 HG3 LYS A 54 98.744 -0.637 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 54 99.928 0.099 -9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 54 99.349 -1.333 -10.722 1.00 0.00 H new ATOM 0 HE2 LYS A 54 96.975 -0.625 -10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 54 97.566 0.817 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 97.012 1.266 -11.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 98.678 1.476 -11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 98.106 0.079 -12.306 1.00 0.00 H new ATOM 932 N ARG A 55 102.556 -3.010 -6.560 1.00 0.00 N ATOM 933 CA ARG A 55 103.816 -3.706 -6.337 1.00 0.00 C ATOM 934 C ARG A 55 103.765 -4.513 -5.046 1.00 0.00 C ATOM 935 O ARG A 55 104.350 -5.592 -4.958 1.00 0.00 O ATOM 936 CB ARG A 55 104.974 -2.711 -6.285 1.00 0.00 C ATOM 937 CG ARG A 55 105.279 -2.198 -7.691 1.00 0.00 C ATOM 938 CD ARG A 55 106.411 -1.172 -7.622 1.00 0.00 C ATOM 939 NE ARG A 55 106.700 -0.652 -8.954 1.00 0.00 N ATOM 940 CZ ARG A 55 107.542 -1.280 -9.770 1.00 0.00 C ATOM 941 NH1 ARG A 55 107.785 -0.795 -10.957 1.00 0.00 N ATOM 942 NH2 ARG A 55 108.125 -2.382 -9.382 1.00 0.00 N ATOM 0 H ARG A 55 102.626 -1.992 -6.565 1.00 0.00 H new ATOM 0 HA ARG A 55 103.977 -4.391 -7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 55 104.720 -1.877 -5.631 1.00 0.00 H new ATOM 0 HB3 ARG A 55 105.858 -3.189 -5.863 1.00 0.00 H new ATOM 0 HG2 ARG A 55 105.564 -3.027 -8.339 1.00 0.00 H new ATOM 0 HG3 ARG A 55 104.388 -1.745 -8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 55 106.131 -0.355 -6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 55 107.305 -1.633 -7.202 1.00 0.00 H new ATOM 0 HE ARG A 55 106.249 0.208 -9.265 1.00 0.00 H new ATOM 0 HH11 ARG A 55 107.329 0.066 -11.259 1.00 0.00 H new ATOM 0 HH12 ARG A 55 108.431 -1.277 -11.582 1.00 0.00 H new ATOM 0 HH21 ARG A 55 107.935 -2.760 -8.454 1.00 0.00 H new ATOM 0 HH22 ARG A 55 108.771 -2.865 -10.007 1.00 0.00 H new ATOM 956 N TRP A 56 103.058 -3.986 -4.051 1.00 0.00 N ATOM 957 CA TRP A 56 102.931 -4.662 -2.771 1.00 0.00 C ATOM 958 C TRP A 56 102.346 -6.059 -2.959 1.00 0.00 C ATOM 959 O TRP A 56 102.716 -7.003 -2.260 1.00 0.00 O ATOM 960 CB TRP A 56 102.044 -3.852 -1.832 1.00 0.00 C ATOM 961 CG TRP A 56 101.577 -4.724 -0.712 1.00 0.00 C ATOM 962 CD1 TRP A 56 100.281 -4.979 -0.420 1.00 0.00 C ATOM 963 CD2 TRP A 56 102.369 -5.459 0.266 1.00 0.00 C ATOM 964 NE1 TRP A 56 100.226 -5.823 0.675 1.00 0.00 N ATOM 965 CE2 TRP A 56 101.487 -6.148 1.133 1.00 0.00 C ATOM 966 CE3 TRP A 56 103.752 -5.594 0.484 1.00 0.00 C ATOM 967 CZ2 TRP A 56 101.961 -6.942 2.179 1.00 0.00 C ATOM 968 CZ3 TRP A 56 104.232 -6.393 1.534 1.00 0.00 C ATOM 969 CH2 TRP A 56 103.338 -7.066 2.380 1.00 0.00 C ATOM 0 H TRP A 56 102.566 -3.094 -4.109 1.00 0.00 H new ATOM 0 HA TRP A 56 103.924 -4.754 -2.332 1.00 0.00 H new ATOM 0 HB2 TRP A 56 102.597 -3.000 -1.437 1.00 0.00 H new ATOM 0 HB3 TRP A 56 101.189 -3.452 -2.377 1.00 0.00 H new ATOM 0 HD1 TRP A 56 99.428 -4.588 -0.955 1.00 0.00 H new ATOM 0 HE1 TRP A 56 99.360 -6.163 1.093 1.00 0.00 H new ATOM 0 HE3 TRP A 56 104.449 -5.080 -0.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 101.268 -7.457 2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 105.296 -6.490 1.691 1.00 0.00 H new ATOM 0 HH2 TRP A 56 103.714 -7.679 3.186 1.00 0.00 H new ATOM 980 N ARG A 57 101.428 -6.181 -3.908 1.00 0.00 N ATOM 981 CA ARG A 57 100.801 -7.467 -4.190 1.00 0.00 C ATOM 982 C ARG A 57 101.817 -8.431 -4.792 1.00 0.00 C ATOM 983 O ARG A 57 101.833 -9.619 -4.461 1.00 0.00 O ATOM 984 CB ARG A 57 99.629 -7.283 -5.158 1.00 0.00 C ATOM 985 CG ARG A 57 98.946 -8.630 -5.402 1.00 0.00 C ATOM 986 CD ARG A 57 97.734 -8.430 -6.309 1.00 0.00 C ATOM 987 NE ARG A 57 96.953 -9.660 -6.383 1.00 0.00 N ATOM 988 CZ ARG A 57 97.261 -10.620 -7.249 1.00 0.00 C ATOM 989 NH1 ARG A 57 96.545 -11.711 -7.294 1.00 0.00 N ATOM 990 NH2 ARG A 57 98.279 -10.474 -8.052 1.00 0.00 N ATOM 0 H ARG A 57 101.102 -5.411 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 57 100.429 -7.882 -3.253 1.00 0.00 H new ATOM 0 HB2 ARG A 57 98.914 -6.571 -4.747 1.00 0.00 H new ATOM 0 HB3 ARG A 57 99.985 -6.869 -6.101 1.00 0.00 H new ATOM 0 HG2 ARG A 57 99.647 -9.327 -5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 57 98.636 -9.069 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 57 97.114 -7.619 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 57 98.061 -8.138 -7.307 1.00 0.00 H new ATOM 0 HE ARG A 57 96.156 -9.785 -5.759 1.00 0.00 H new ATOM 0 HH11 ARG A 57 95.750 -11.826 -6.665 1.00 0.00 H new ATOM 0 HH12 ARG A 57 96.780 -12.448 -7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 57 98.839 -9.622 -8.015 1.00 0.00 H new ATOM 0 HH22 ARG A 57 98.514 -11.211 -8.716 1.00 0.00 H new ATOM 1004 N ARG A 58 102.653 -7.916 -5.691 1.00 0.00 N ATOM 1005 CA ARG A 58 103.658 -8.756 -6.341 1.00 0.00 C ATOM 1006 C ARG A 58 104.582 -9.396 -5.310 1.00 0.00 C ATOM 1007 O ARG A 58 104.784 -10.610 -5.312 1.00 0.00 O ATOM 1008 CB ARG A 58 104.492 -7.912 -7.305 1.00 0.00 C ATOM 1009 CG ARG A 58 103.663 -7.586 -8.549 1.00 0.00 C ATOM 1010 CD ARG A 58 104.482 -6.703 -9.493 1.00 0.00 C ATOM 1011 NE ARG A 58 103.729 -6.439 -10.715 1.00 0.00 N ATOM 1012 CZ ARG A 58 102.846 -5.447 -10.777 1.00 0.00 C ATOM 1013 NH1 ARG A 58 102.186 -5.230 -11.881 1.00 0.00 N ATOM 1014 NH2 ARG A 58 102.641 -4.691 -9.734 1.00 0.00 N ATOM 0 H ARG A 58 102.657 -6.939 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 58 103.140 -9.544 -6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 58 104.811 -6.991 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 58 105.396 -8.452 -7.589 1.00 0.00 H new ATOM 0 HG2 ARG A 58 103.372 -8.506 -9.056 1.00 0.00 H new ATOM 0 HG3 ARG A 58 102.744 -7.075 -8.263 1.00 0.00 H new ATOM 0 HD2 ARG A 58 104.730 -5.763 -9.000 1.00 0.00 H new ATOM 0 HD3 ARG A 58 105.424 -7.194 -9.736 1.00 0.00 H new ATOM 0 HE ARG A 58 103.883 -7.025 -11.535 1.00 0.00 H new ATOM 0 HH11 ARG A 58 102.347 -5.821 -12.696 1.00 0.00 H new ATOM 0 HH12 ARG A 58 101.508 -4.469 -11.929 1.00 0.00 H new ATOM 0 HH21 ARG A 58 103.158 -4.861 -8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 58 101.964 -3.930 -9.781 1.00 0.00 H new ATOM 1028 N VAL A 59 105.124 -8.579 -4.423 1.00 0.00 N ATOM 1029 CA VAL A 59 106.017 -9.080 -3.377 1.00 0.00 C ATOM 1030 C VAL A 59 105.268 -10.016 -2.435 1.00 0.00 C ATOM 1031 O VAL A 59 105.818 -11.010 -1.966 1.00 0.00 O ATOM 1032 CB VAL A 59 106.606 -7.908 -2.585 1.00 0.00 C ATOM 1033 CG1 VAL A 59 105.480 -6.991 -2.117 1.00 0.00 C ATOM 1034 CG2 VAL A 59 107.357 -8.443 -1.365 1.00 0.00 C ATOM 0 H VAL A 59 104.967 -7.571 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 59 106.826 -9.636 -3.851 1.00 0.00 H new ATOM 0 HB VAL A 59 107.291 -7.350 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 59 105.900 -6.158 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 59 104.939 -6.608 -2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 59 104.796 -7.551 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 59 107.776 -7.609 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 59 106.669 -9.001 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 59 108.162 -9.101 -1.693 1.00 0.00 H new ATOM 1044 N GLY A 60 104.011 -9.691 -2.161 1.00 0.00 N ATOM 1045 CA GLY A 60 103.201 -10.515 -1.273 1.00 0.00 C ATOM 1046 C GLY A 60 102.998 -11.907 -1.859 1.00 0.00 C ATOM 1047 O GLY A 60 103.138 -12.910 -1.162 1.00 0.00 O ATOM 0 H GLY A 60 103.534 -8.871 -2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 60 103.685 -10.593 -0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 60 102.234 -10.040 -1.111 1.00 0.00 H new ATOM 1051 N ASP A 61 102.666 -11.961 -3.144 1.00 0.00 N ATOM 1052 CA ASP A 61 102.446 -13.238 -3.815 1.00 0.00 C ATOM 1053 C ASP A 61 103.765 -13.980 -4.004 1.00 0.00 C ATOM 1054 O ASP A 61 103.833 -15.197 -3.844 1.00 0.00 O ATOM 1055 CB ASP A 61 101.785 -13.002 -5.177 1.00 0.00 C ATOM 1056 CG ASP A 61 100.273 -12.819 -5.011 1.00 0.00 C ATOM 1057 OD1 ASP A 61 99.794 -13.009 -3.905 1.00 0.00 O ATOM 1058 OD2 ASP A 61 99.623 -12.482 -5.987 1.00 0.00 O ATOM 0 H ASP A 61 102.544 -11.142 -3.739 1.00 0.00 H new ATOM 0 HA ASP A 61 101.790 -13.848 -3.194 1.00 0.00 H new ATOM 0 HB2 ASP A 61 102.215 -12.119 -5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 61 101.986 -13.846 -5.837 1.00 0.00 H new ATOM 1063 N CYS A 62 104.808 -13.235 -4.357 1.00 0.00 N ATOM 1064 CA CYS A 62 106.119 -13.833 -4.581 1.00 0.00 C ATOM 1065 C CYS A 62 106.625 -14.517 -3.312 1.00 0.00 C ATOM 1066 O CYS A 62 107.248 -15.581 -3.368 1.00 0.00 O ATOM 1067 CB CYS A 62 107.120 -12.756 -5.007 1.00 0.00 C ATOM 1068 SG CYS A 62 106.626 -12.074 -6.608 1.00 0.00 S ATOM 0 H CYS A 62 104.772 -12.225 -4.493 1.00 0.00 H new ATOM 0 HA CYS A 62 106.023 -14.578 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 62 107.159 -11.964 -4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 62 108.121 -13.181 -5.074 1.00 0.00 H new ATOM 0 HG CYS A 62 105.654 -11.228 -6.438 1.00 0.00 H new ATOM 1074 N PHE A 63 106.339 -13.908 -2.166 1.00 0.00 N ATOM 1075 CA PHE A 63 106.760 -14.470 -0.888 1.00 0.00 C ATOM 1076 C PHE A 63 105.769 -15.520 -0.401 1.00 0.00 C ATOM 1077 O PHE A 63 106.159 -16.535 0.167 1.00 0.00 O ATOM 1078 CB PHE A 63 106.888 -13.357 0.151 1.00 0.00 C ATOM 1079 CG PHE A 63 108.282 -12.776 0.101 1.00 0.00 C ATOM 1080 CD1 PHE A 63 109.170 -12.999 1.160 1.00 0.00 C ATOM 1081 CD2 PHE A 63 108.686 -12.016 -1.004 1.00 0.00 C ATOM 1082 CE1 PHE A 63 110.462 -12.462 1.114 1.00 0.00 C ATOM 1083 CE2 PHE A 63 109.978 -11.479 -1.049 1.00 0.00 C ATOM 1084 CZ PHE A 63 110.866 -11.702 0.010 1.00 0.00 C ATOM 0 H PHE A 63 105.821 -13.032 -2.096 1.00 0.00 H new ATOM 0 HA PHE A 63 107.728 -14.951 -1.027 1.00 0.00 H new ATOM 0 HB2 PHE A 63 106.151 -12.578 -0.043 1.00 0.00 H new ATOM 0 HB3 PHE A 63 106.682 -13.750 1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 63 108.858 -13.585 2.012 1.00 0.00 H new ATOM 0 HD2 PHE A 63 108.001 -11.844 -1.821 1.00 0.00 H new ATOM 0 HE1 PHE A 63 111.147 -12.634 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 63 110.290 -10.893 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 63 111.863 -11.288 -0.025 1.00 0.00 H new ATOM 1094 N GLN A 64 104.486 -15.256 -0.611 1.00 0.00 N ATOM 1095 CA GLN A 64 103.447 -16.182 -0.177 1.00 0.00 C ATOM 1096 C GLN A 64 103.570 -17.512 -0.907 1.00 0.00 C ATOM 1097 O GLN A 64 103.420 -18.576 -0.309 1.00 0.00 O ATOM 1098 CB GLN A 64 102.065 -15.576 -0.438 1.00 0.00 C ATOM 1099 CG GLN A 64 100.981 -16.544 0.037 1.00 0.00 C ATOM 1100 CD GLN A 64 99.614 -15.875 -0.031 1.00 0.00 C ATOM 1101 OE1 GLN A 64 99.150 -15.513 -1.113 1.00 0.00 O ATOM 1102 NE2 GLN A 64 98.937 -15.686 1.069 1.00 0.00 N ATOM 0 H GLN A 64 104.141 -14.416 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 64 103.570 -16.359 0.891 1.00 0.00 H new ATOM 0 HB2 GLN A 64 101.970 -14.624 0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 64 101.942 -15.370 -1.501 1.00 0.00 H new ATOM 0 HG2 GLN A 64 100.987 -17.441 -0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 64 101.189 -16.861 1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 64 99.323 -15.987 1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 64 98.022 -15.238 1.034 1.00 0.00 H new ATOM 1111 N ASP A 65 103.836 -17.443 -2.206 1.00 0.00 N ATOM 1112 CA ASP A 65 103.969 -18.652 -3.010 1.00 0.00 C ATOM 1113 C ASP A 65 105.237 -19.410 -2.636 1.00 0.00 C ATOM 1114 O ASP A 65 105.218 -20.632 -2.483 1.00 0.00 O ATOM 1115 CB ASP A 65 104.013 -18.288 -4.494 1.00 0.00 C ATOM 1116 CG ASP A 65 105.439 -17.943 -4.903 1.00 0.00 C ATOM 1117 OD1 ASP A 65 105.802 -16.784 -4.784 1.00 0.00 O ATOM 1118 OD2 ASP A 65 106.148 -18.839 -5.327 1.00 0.00 O ATOM 0 H ASP A 65 103.963 -16.572 -2.721 1.00 0.00 H new ATOM 0 HA ASP A 65 103.107 -19.290 -2.815 1.00 0.00 H new ATOM 0 HB2 ASP A 65 103.646 -19.122 -5.093 1.00 0.00 H new ATOM 0 HB3 ASP A 65 103.355 -17.441 -4.689 1.00 0.00 H new ATOM 1123 N TYR A 66 106.339 -18.677 -2.488 1.00 0.00 N ATOM 1124 CA TYR A 66 107.609 -19.295 -2.128 1.00 0.00 C ATOM 1125 C TYR A 66 107.549 -19.864 -0.716 1.00 0.00 C ATOM 1126 O TYR A 66 108.019 -20.965 -0.461 1.00 0.00 O ATOM 1127 CB TYR A 66 108.735 -18.267 -2.226 1.00 0.00 C ATOM 1128 CG TYR A 66 110.034 -18.895 -1.777 1.00 0.00 C ATOM 1129 CD1 TYR A 66 110.690 -18.414 -0.638 1.00 0.00 C ATOM 1130 CD2 TYR A 66 110.583 -19.961 -2.503 1.00 0.00 C ATOM 1131 CE1 TYR A 66 111.894 -18.998 -0.224 1.00 0.00 C ATOM 1132 CE2 TYR A 66 111.785 -20.544 -2.089 1.00 0.00 C ATOM 1133 CZ TYR A 66 112.441 -20.062 -0.950 1.00 0.00 C ATOM 1134 OH TYR A 66 113.628 -20.638 -0.543 1.00 0.00 O ATOM 0 H TYR A 66 106.377 -17.665 -2.611 1.00 0.00 H new ATOM 0 HA TYR A 66 107.805 -20.112 -2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 66 108.827 -17.910 -3.252 1.00 0.00 H new ATOM 0 HB3 TYR A 66 108.505 -17.400 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 66 110.268 -17.592 -0.078 1.00 0.00 H new ATOM 0 HD2 TYR A 66 110.078 -20.332 -3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 66 112.400 -18.627 0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 66 112.207 -21.366 -2.648 1.00 0.00 H new ATOM 0 HH TYR A 66 113.867 -21.364 -1.157 1.00 0.00 H new ATOM 1144 N TYR A 67 106.977 -19.096 0.200 1.00 0.00 N ATOM 1145 CA TYR A 67 106.864 -19.524 1.589 1.00 0.00 C ATOM 1146 C TYR A 67 105.914 -20.709 1.710 1.00 0.00 C ATOM 1147 O TYR A 67 106.138 -21.620 2.506 1.00 0.00 O ATOM 1148 CB TYR A 67 106.360 -18.368 2.459 1.00 0.00 C ATOM 1149 CG TYR A 67 106.259 -18.822 3.896 1.00 0.00 C ATOM 1150 CD1 TYR A 67 107.417 -19.182 4.597 1.00 0.00 C ATOM 1151 CD2 TYR A 67 105.011 -18.883 4.527 1.00 0.00 C ATOM 1152 CE1 TYR A 67 107.325 -19.603 5.929 1.00 0.00 C ATOM 1153 CE2 TYR A 67 104.920 -19.306 5.859 1.00 0.00 C ATOM 1154 CZ TYR A 67 106.077 -19.666 6.560 1.00 0.00 C ATOM 1155 OH TYR A 67 105.987 -20.083 7.872 1.00 0.00 O ATOM 0 H TYR A 67 106.584 -18.174 0.008 1.00 0.00 H new ATOM 0 HA TYR A 67 107.852 -19.829 1.934 1.00 0.00 H new ATOM 0 HB2 TYR A 67 107.039 -17.519 2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 67 105.386 -18.030 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 67 108.380 -19.135 4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 67 104.118 -18.604 3.987 1.00 0.00 H new ATOM 0 HE1 TYR A 67 108.218 -19.879 6.470 1.00 0.00 H new ATOM 0 HE2 TYR A 67 103.957 -19.354 6.345 1.00 0.00 H new ATOM 0 HH TYR A 67 105.049 -20.068 8.157 1.00 0.00 H new ATOM 1165 N ASN A 68 104.837 -20.677 0.930 1.00 0.00 N ATOM 1166 CA ASN A 68 103.845 -21.742 0.974 1.00 0.00 C ATOM 1167 C ASN A 68 104.459 -23.078 0.578 1.00 0.00 C ATOM 1168 O ASN A 68 104.162 -24.110 1.179 1.00 0.00 O ATOM 1169 CB ASN A 68 102.686 -21.417 0.027 1.00 0.00 C ATOM 1170 CG ASN A 68 101.775 -20.367 0.652 1.00 0.00 C ATOM 1171 OD1 ASN A 68 101.869 -20.096 1.849 1.00 0.00 O ATOM 1172 ND2 ASN A 68 100.894 -19.755 -0.091 1.00 0.00 N ATOM 0 H ASN A 68 104.632 -19.931 0.266 1.00 0.00 H new ATOM 0 HA ASN A 68 103.476 -21.817 1.997 1.00 0.00 H new ATOM 0 HB2 ASN A 68 103.075 -21.052 -0.924 1.00 0.00 H new ATOM 0 HB3 ASN A 68 102.117 -22.322 -0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 68 100.282 -19.050 0.320 1.00 0.00 H new ATOM 0 HD22 ASN A 68 100.818 -19.981 -1.083 1.00 0.00 H new ATOM 1179 N THR A 69 105.306 -23.054 -0.442 1.00 0.00 N ATOM 1180 CA THR A 69 105.946 -24.280 -0.919 1.00 0.00 C ATOM 1181 C THR A 69 106.526 -25.074 0.242 1.00 0.00 C ATOM 1182 O THR A 69 106.696 -26.289 0.147 1.00 0.00 O ATOM 1183 CB THR A 69 107.055 -23.937 -1.919 1.00 0.00 C ATOM 1184 OG1 THR A 69 108.032 -23.132 -1.277 1.00 0.00 O ATOM 1185 CG2 THR A 69 106.461 -23.169 -3.102 1.00 0.00 C ATOM 0 H THR A 69 105.566 -22.210 -0.953 1.00 0.00 H new ATOM 0 HA THR A 69 105.191 -24.891 -1.413 1.00 0.00 H new ATOM 0 HB THR A 69 107.516 -24.856 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.730 -22.200 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 69 107.252 -22.926 -3.812 1.00 0.00 H new ATOM 0 HG22 THR A 69 105.708 -23.784 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 69 106.000 -22.249 -2.744 1.00 0.00 H new ATOM 1193 N PHE A 70 106.821 -24.384 1.333 1.00 0.00 N ATOM 1194 CA PHE A 70 107.380 -25.039 2.506 1.00 0.00 C ATOM 1195 C PHE A 70 106.271 -25.596 3.394 1.00 0.00 C ATOM 1196 O PHE A 70 106.504 -25.922 4.559 1.00 0.00 O ATOM 1197 CB PHE A 70 108.231 -24.048 3.305 1.00 0.00 C ATOM 1198 CG PHE A 70 109.470 -23.699 2.520 1.00 0.00 C ATOM 1199 CD1 PHE A 70 110.628 -24.474 2.658 1.00 0.00 C ATOM 1200 CD2 PHE A 70 109.463 -22.601 1.651 1.00 0.00 C ATOM 1201 CE1 PHE A 70 111.777 -24.151 1.927 1.00 0.00 C ATOM 1202 CE2 PHE A 70 110.612 -22.278 0.921 1.00 0.00 C ATOM 1203 CZ PHE A 70 111.770 -23.053 1.059 1.00 0.00 C ATOM 0 H PHE A 70 106.684 -23.378 1.431 1.00 0.00 H new ATOM 0 HA PHE A 70 108.006 -25.865 2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 70 107.656 -23.146 3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 70 108.507 -24.482 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 70 110.635 -25.321 3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 70 108.570 -22.003 1.544 1.00 0.00 H new ATOM 0 HE1 PHE A 70 112.670 -24.749 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 70 110.606 -21.431 0.251 1.00 0.00 H new ATOM 0 HZ PHE A 70 112.657 -22.804 0.496 1.00 0.00 H new ATOM 1213 N GLY A 71 105.066 -25.681 2.841 1.00 0.00 N ATOM 1214 CA GLY A 71 103.921 -26.178 3.596 1.00 0.00 C ATOM 1215 C GLY A 71 103.953 -25.668 5.035 1.00 0.00 C ATOM 1216 O GLY A 71 103.988 -26.454 5.982 1.00 0.00 O ATOM 0 H GLY A 71 104.857 -25.414 1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 71 102.997 -25.860 3.114 1.00 0.00 H new ATOM 0 HA3 GLY A 71 103.923 -27.268 3.592 1.00 0.00 H new ATOM 1220 N PRO A 72 103.945 -24.373 5.209 1.00 0.00 N ATOM 1221 CA PRO A 72 103.976 -23.740 6.556 1.00 0.00 C ATOM 1222 C PRO A 72 102.608 -23.746 7.231 1.00 0.00 C ATOM 1223 O PRO A 72 101.612 -23.332 6.638 1.00 0.00 O ATOM 1224 CB PRO A 72 104.437 -22.313 6.270 1.00 0.00 C ATOM 1225 CG PRO A 72 104.012 -22.028 4.865 1.00 0.00 C ATOM 1226 CD PRO A 72 103.896 -23.368 4.139 1.00 0.00 C ATOM 0 HA PRO A 72 104.629 -24.276 7.245 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.985 -21.608 6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 72 105.518 -22.221 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 72 103.058 -21.501 4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.738 -21.384 4.368 1.00 0.00 H new ATOM 0 HD2 PRO A 72 102.966 -23.434 3.575 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.711 -23.506 3.428 1.00 0.00 H new ATOM 1234 N GLU A 73 102.566 -24.210 8.475 1.00 0.00 N ATOM 1235 CA GLU A 73 101.318 -24.253 9.220 1.00 0.00 C ATOM 1236 C GLU A 73 101.095 -22.939 9.965 1.00 0.00 C ATOM 1237 O GLU A 73 99.958 -22.545 10.227 1.00 0.00 O ATOM 1238 CB GLU A 73 101.345 -25.416 10.217 1.00 0.00 C ATOM 1239 CG GLU A 73 99.947 -25.618 10.809 1.00 0.00 C ATOM 1240 CD GLU A 73 99.020 -26.223 9.759 1.00 0.00 C ATOM 1241 OE1 GLU A 73 99.511 -26.584 8.702 1.00 0.00 O ATOM 1242 OE2 GLU A 73 97.834 -26.316 10.029 1.00 0.00 O ATOM 0 H GLU A 73 103.378 -24.559 8.984 1.00 0.00 H new ATOM 0 HA GLU A 73 100.498 -24.400 8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.675 -26.328 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 73 102.061 -25.210 11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 73 100.002 -26.273 11.679 1.00 0.00 H new ATOM 0 HG3 GLU A 73 99.547 -24.664 11.153 1.00 0.00 H new ATOM 1249 N LYS A 74 102.191 -22.286 10.337 1.00 0.00 N ATOM 1250 CA LYS A 74 102.104 -21.039 11.086 1.00 0.00 C ATOM 1251 C LYS A 74 101.446 -19.955 10.255 1.00 0.00 C ATOM 1252 O LYS A 74 100.557 -19.261 10.746 1.00 0.00 O ATOM 1253 CB LYS A 74 103.501 -20.580 11.508 1.00 0.00 C ATOM 1254 CG LYS A 74 104.322 -21.793 11.965 1.00 0.00 C ATOM 1255 CD LYS A 74 103.531 -22.582 13.011 1.00 0.00 C ATOM 1256 CE LYS A 74 104.456 -23.581 13.708 1.00 0.00 C ATOM 1257 NZ LYS A 74 103.743 -24.191 14.865 1.00 0.00 N ATOM 0 H LYS A 74 103.141 -22.596 10.134 1.00 0.00 H new ATOM 0 HA LYS A 74 101.496 -21.219 11.973 1.00 0.00 H new ATOM 0 HB2 LYS A 74 103.999 -20.083 10.675 1.00 0.00 H new ATOM 0 HB3 LYS A 74 103.428 -19.852 12.316 1.00 0.00 H new ATOM 0 HG2 LYS A 74 104.554 -22.431 11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 74 105.273 -21.464 12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 74 103.097 -21.901 13.743 1.00 0.00 H new ATOM 0 HD3 LYS A 74 102.703 -23.108 12.535 1.00 0.00 H new ATOM 0 HE2 LYS A 74 104.766 -24.357 13.008 1.00 0.00 H new ATOM 0 HE3 LYS A 74 105.362 -23.079 14.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 104.370 -24.871 15.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 103.469 -23.445 15.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 102.891 -24.683 14.528 1.00 0.00 H new ATOM 1271 N VAL A 75 101.886 -19.827 8.998 1.00 0.00 N ATOM 1272 CA VAL A 75 101.333 -18.822 8.092 1.00 0.00 C ATOM 1273 C VAL A 75 100.765 -17.639 8.876 1.00 0.00 C ATOM 1274 O VAL A 75 99.570 -17.599 9.165 1.00 0.00 O ATOM 1275 CB VAL A 75 100.244 -19.434 7.226 1.00 0.00 C ATOM 1276 CG1 VAL A 75 99.634 -18.348 6.339 1.00 0.00 C ATOM 1277 CG2 VAL A 75 100.861 -20.521 6.346 1.00 0.00 C ATOM 0 H VAL A 75 102.620 -20.405 8.589 1.00 0.00 H new ATOM 0 HA VAL A 75 102.139 -18.463 7.452 1.00 0.00 H new ATOM 0 HB VAL A 75 99.468 -19.867 7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 75 98.852 -18.783 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 75 99.205 -17.565 6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 75 100.409 -17.920 5.703 1.00 0.00 H new ATOM 0 HG21 VAL A 75 100.087 -20.966 5.721 1.00 0.00 H new ATOM 0 HG22 VAL A 75 101.632 -20.082 5.712 1.00 0.00 H new ATOM 0 HG23 VAL A 75 101.305 -21.291 6.977 1.00 0.00 H new ATOM 1287 N PRO A 76 101.598 -16.701 9.248 1.00 0.00 N ATOM 1288 CA PRO A 76 101.161 -15.510 10.035 1.00 0.00 C ATOM 1289 C PRO A 76 100.033 -14.758 9.336 1.00 0.00 C ATOM 1290 O PRO A 76 100.160 -14.360 8.178 1.00 0.00 O ATOM 1291 CB PRO A 76 102.430 -14.653 10.115 1.00 0.00 C ATOM 1292 CG PRO A 76 103.563 -15.601 9.902 1.00 0.00 C ATOM 1293 CD PRO A 76 103.038 -16.675 8.969 1.00 0.00 C ATOM 0 HA PRO A 76 100.762 -15.777 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 76 102.424 -13.871 9.356 1.00 0.00 H new ATOM 0 HB3 PRO A 76 102.509 -14.157 11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 76 104.422 -15.091 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 76 103.894 -16.032 10.847 1.00 0.00 H new ATOM 0 HD2 PRO A 76 103.240 -16.433 7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 76 103.502 -17.641 9.168 1.00 0.00 H new ATOM 1301 N VAL A 77 98.939 -14.560 10.054 1.00 0.00 N ATOM 1302 CA VAL A 77 97.788 -13.845 9.504 1.00 0.00 C ATOM 1303 C VAL A 77 97.980 -12.338 9.617 1.00 0.00 C ATOM 1304 O VAL A 77 97.293 -11.564 8.949 1.00 0.00 O ATOM 1305 CB VAL A 77 96.510 -14.267 10.228 1.00 0.00 C ATOM 1306 CG1 VAL A 77 95.322 -13.477 9.676 1.00 0.00 C ATOM 1307 CG2 VAL A 77 96.268 -15.775 10.010 1.00 0.00 C ATOM 0 H VAL A 77 98.819 -14.881 11.015 1.00 0.00 H new ATOM 0 HA VAL A 77 97.700 -14.101 8.448 1.00 0.00 H new ATOM 0 HB VAL A 77 96.616 -14.065 11.294 1.00 0.00 H new ATOM 0 HG11 VAL A 77 94.412 -13.780 10.194 1.00 0.00 H new ATOM 0 HG12 VAL A 77 95.490 -12.411 9.831 1.00 0.00 H new ATOM 0 HG13 VAL A 77 95.216 -13.677 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 77 95.356 -16.076 10.527 1.00 0.00 H new ATOM 0 HG22 VAL A 77 96.164 -15.976 8.944 1.00 0.00 H new ATOM 0 HG23 VAL A 77 97.112 -16.340 10.405 1.00 0.00 H new ATOM 1317 N THR A 78 98.901 -11.930 10.481 1.00 0.00 N ATOM 1318 CA THR A 78 99.163 -10.512 10.690 1.00 0.00 C ATOM 1319 C THR A 78 99.349 -9.809 9.352 1.00 0.00 C ATOM 1320 O THR A 78 99.130 -8.604 9.239 1.00 0.00 O ATOM 1321 CB THR A 78 100.417 -10.334 11.549 1.00 0.00 C ATOM 1322 OG1 THR A 78 101.564 -10.674 10.784 1.00 0.00 O ATOM 1323 CG2 THR A 78 100.332 -11.249 12.775 1.00 0.00 C ATOM 0 H THR A 78 99.476 -12.556 11.045 1.00 0.00 H new ATOM 0 HA THR A 78 98.311 -10.070 11.206 1.00 0.00 H new ATOM 0 HB THR A 78 100.490 -9.297 11.875 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.368 -10.559 11.332 1.00 0.00 H new ATOM 0 HG21 THR A 78 101.225 -11.122 13.386 1.00 0.00 H new ATOM 0 HG22 THR A 78 99.451 -10.990 13.362 1.00 0.00 H new ATOM 0 HG23 THR A 78 100.259 -12.287 12.450 1.00 0.00 H new ATOM 1331 N ALA A 79 99.766 -10.568 8.341 1.00 0.00 N ATOM 1332 CA ALA A 79 99.984 -10.002 7.016 1.00 0.00 C ATOM 1333 C ALA A 79 98.721 -9.306 6.512 1.00 0.00 C ATOM 1334 O ALA A 79 98.788 -8.366 5.714 1.00 0.00 O ATOM 1335 CB ALA A 79 100.369 -11.113 6.038 1.00 0.00 C ATOM 0 H ALA A 79 99.958 -11.567 8.414 1.00 0.00 H new ATOM 0 HA ALA A 79 100.789 -9.270 7.083 1.00 0.00 H new ATOM 0 HB1 ALA A 79 100.531 -10.686 5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 79 101.284 -11.597 6.379 1.00 0.00 H new ATOM 0 HB3 ALA A 79 99.566 -11.849 5.989 1.00 0.00 H new ATOM 1341 N PHE A 80 97.571 -9.764 6.996 1.00 0.00 N ATOM 1342 CA PHE A 80 96.297 -9.180 6.599 1.00 0.00 C ATOM 1343 C PHE A 80 96.121 -7.791 7.203 1.00 0.00 C ATOM 1344 O PHE A 80 95.528 -6.906 6.584 1.00 0.00 O ATOM 1345 CB PHE A 80 95.145 -10.081 7.046 1.00 0.00 C ATOM 1346 CG PHE A 80 93.851 -9.582 6.442 1.00 0.00 C ATOM 1347 CD1 PHE A 80 92.852 -9.054 7.267 1.00 0.00 C ATOM 1348 CD2 PHE A 80 93.654 -9.650 5.058 1.00 0.00 C ATOM 1349 CE1 PHE A 80 91.654 -8.593 6.707 1.00 0.00 C ATOM 1350 CE2 PHE A 80 92.456 -9.188 4.498 1.00 0.00 C ATOM 1351 CZ PHE A 80 91.456 -8.660 5.323 1.00 0.00 C ATOM 0 H PHE A 80 97.496 -10.534 7.661 1.00 0.00 H new ATOM 0 HA PHE A 80 96.290 -9.091 5.513 1.00 0.00 H new ATOM 0 HB2 PHE A 80 95.331 -11.109 6.735 1.00 0.00 H new ATOM 0 HB3 PHE A 80 95.073 -10.085 8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 80 93.005 -9.002 8.335 1.00 0.00 H new ATOM 0 HD2 PHE A 80 94.425 -10.059 4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 80 90.882 -8.186 7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 80 92.304 -9.239 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 80 90.532 -8.304 4.892 1.00 0.00 H new ATOM 1361 N SER A 81 96.643 -7.604 8.412 1.00 0.00 N ATOM 1362 CA SER A 81 96.539 -6.319 9.088 1.00 0.00 C ATOM 1363 C SER A 81 97.383 -5.266 8.380 1.00 0.00 C ATOM 1364 O SER A 81 96.956 -4.123 8.210 1.00 0.00 O ATOM 1365 CB SER A 81 96.997 -6.456 10.540 1.00 0.00 C ATOM 1366 OG SER A 81 96.827 -5.211 11.205 1.00 0.00 O ATOM 0 H SER A 81 97.139 -8.323 8.939 1.00 0.00 H new ATOM 0 HA SER A 81 95.496 -6.002 9.064 1.00 0.00 H new ATOM 0 HB2 SER A 81 96.421 -7.232 11.044 1.00 0.00 H new ATOM 0 HB3 SER A 81 98.043 -6.761 10.576 1.00 0.00 H new ATOM 0 HG SER A 81 97.118 -5.295 12.137 1.00 0.00 H new ATOM 1372 N TYR A 82 98.593 -5.654 7.981 1.00 0.00 N ATOM 1373 CA TYR A 82 99.493 -4.726 7.307 1.00 0.00 C ATOM 1374 C TYR A 82 98.848 -4.171 6.048 1.00 0.00 C ATOM 1375 O TYR A 82 98.764 -2.962 5.873 1.00 0.00 O ATOM 1376 CB TYR A 82 100.791 -5.443 6.928 1.00 0.00 C ATOM 1377 CG TYR A 82 101.829 -5.218 7.998 1.00 0.00 C ATOM 1378 CD1 TYR A 82 102.621 -4.063 7.968 1.00 0.00 C ATOM 1379 CD2 TYR A 82 101.999 -6.156 9.022 1.00 0.00 C ATOM 1380 CE1 TYR A 82 103.583 -3.848 8.962 1.00 0.00 C ATOM 1381 CE2 TYR A 82 102.961 -5.942 10.017 1.00 0.00 C ATOM 1382 CZ TYR A 82 103.753 -4.787 9.986 1.00 0.00 C ATOM 1383 OH TYR A 82 104.701 -4.574 10.967 1.00 0.00 O ATOM 0 H TYR A 82 98.968 -6.594 8.112 1.00 0.00 H new ATOM 0 HA TYR A 82 99.708 -3.904 7.989 1.00 0.00 H new ATOM 0 HB2 TYR A 82 100.606 -6.510 6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 82 101.156 -5.072 5.970 1.00 0.00 H new ATOM 0 HD1 TYR A 82 102.489 -3.338 7.178 1.00 0.00 H new ATOM 0 HD2 TYR A 82 101.388 -7.046 9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 82 104.194 -2.958 8.939 1.00 0.00 H new ATOM 0 HE2 TYR A 82 103.092 -6.666 10.807 1.00 0.00 H new ATOM 0 HH TYR A 82 104.688 -5.321 11.602 1.00 0.00 H new ATOM 1393 N TRP A 83 98.388 -5.063 5.177 1.00 0.00 N ATOM 1394 CA TRP A 83 97.752 -4.641 3.934 1.00 0.00 C ATOM 1395 C TRP A 83 96.545 -3.755 4.210 1.00 0.00 C ATOM 1396 O TRP A 83 96.296 -2.789 3.490 1.00 0.00 O ATOM 1397 CB TRP A 83 97.313 -5.867 3.130 1.00 0.00 C ATOM 1398 CG TRP A 83 96.378 -5.443 2.041 1.00 0.00 C ATOM 1399 CD1 TRP A 83 96.741 -4.782 0.919 1.00 0.00 C ATOM 1400 CD2 TRP A 83 94.937 -5.639 1.954 1.00 0.00 C ATOM 1401 NE1 TRP A 83 95.614 -4.560 0.147 1.00 0.00 N ATOM 1402 CE2 TRP A 83 94.478 -5.068 0.743 1.00 0.00 C ATOM 1403 CE3 TRP A 83 93.993 -6.249 2.800 1.00 0.00 C ATOM 1404 CZ2 TRP A 83 93.130 -5.103 0.384 1.00 0.00 C ATOM 1405 CZ3 TRP A 83 92.635 -6.285 2.441 1.00 0.00 C ATOM 1406 CH2 TRP A 83 92.205 -5.713 1.235 1.00 0.00 C ATOM 0 H TRP A 83 98.443 -6.073 5.306 1.00 0.00 H new ATOM 0 HA TRP A 83 98.479 -4.067 3.360 1.00 0.00 H new ATOM 0 HB2 TRP A 83 98.183 -6.365 2.703 1.00 0.00 H new ATOM 0 HB3 TRP A 83 96.823 -6.587 3.785 1.00 0.00 H new ATOM 0 HD1 TRP A 83 97.746 -4.477 0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 83 95.622 -4.080 -0.753 1.00 0.00 H new ATOM 0 HE3 TRP A 83 94.314 -6.692 3.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 92.804 -4.661 -0.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 91.918 -6.756 3.098 1.00 0.00 H new ATOM 0 HH2 TRP A 83 91.160 -5.744 0.964 1.00 0.00 H new ATOM 1417 N ASN A 84 95.782 -4.105 5.238 1.00 0.00 N ATOM 1418 CA ASN A 84 94.592 -3.340 5.579 1.00 0.00 C ATOM 1419 C ASN A 84 94.950 -1.922 6.015 1.00 0.00 C ATOM 1420 O ASN A 84 94.337 -0.948 5.562 1.00 0.00 O ATOM 1421 CB ASN A 84 93.831 -4.046 6.710 1.00 0.00 C ATOM 1422 CG ASN A 84 92.955 -5.154 6.143 1.00 0.00 C ATOM 1423 OD1 ASN A 84 92.188 -4.904 5.117 1.00 0.00 O flip ATOM 1424 ND2 ASN A 84 92.966 -6.277 6.646 1.00 0.00 N flip ATOM 0 H ASN A 84 95.964 -4.905 5.844 1.00 0.00 H new ATOM 0 HA ASN A 84 93.964 -3.276 4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 84 94.537 -4.462 7.428 1.00 0.00 H new ATOM 0 HB3 ASN A 84 93.215 -3.326 7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 84 93.566 -6.471 7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 84 92.375 -7.014 6.261 1.00 0.00 H new ATOM 1431 N LEU A 85 95.943 -1.807 6.895 1.00 0.00 N ATOM 1432 CA LEU A 85 96.359 -0.512 7.383 1.00 0.00 C ATOM 1433 C LEU A 85 97.026 0.292 6.276 1.00 0.00 C ATOM 1434 O LEU A 85 96.677 1.443 6.044 1.00 0.00 O ATOM 1435 CB LEU A 85 97.330 -0.685 8.553 1.00 0.00 C ATOM 1436 CG LEU A 85 97.775 0.691 9.061 1.00 0.00 C ATOM 1437 CD1 LEU A 85 96.559 1.470 9.569 1.00 0.00 C ATOM 1438 CD2 LEU A 85 98.770 0.510 10.205 1.00 0.00 C ATOM 0 H LEU A 85 96.466 -2.595 7.277 1.00 0.00 H new ATOM 0 HA LEU A 85 95.475 0.029 7.721 1.00 0.00 H new ATOM 0 HB2 LEU A 85 96.850 -1.243 9.357 1.00 0.00 H new ATOM 0 HB3 LEU A 85 98.197 -1.265 8.236 1.00 0.00 H new ATOM 0 HG LEU A 85 98.245 1.242 8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 85 96.878 2.448 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 85 95.844 1.598 8.757 1.00 0.00 H new ATOM 0 HD13 LEU A 85 96.088 0.919 10.383 1.00 0.00 H new ATOM 0 HD21 LEU A 85 99.088 1.487 10.568 1.00 0.00 H new ATOM 0 HD22 LEU A 85 98.295 -0.042 11.016 1.00 0.00 H new ATOM 0 HD23 LEU A 85 99.638 -0.045 9.848 1.00 0.00 H new ATOM 1450 N ILE A 86 97.987 -0.321 5.603 1.00 0.00 N ATOM 1451 CA ILE A 86 98.698 0.351 4.527 1.00 0.00 C ATOM 1452 C ILE A 86 97.731 0.742 3.419 1.00 0.00 C ATOM 1453 O ILE A 86 97.876 1.797 2.796 1.00 0.00 O ATOM 1454 CB ILE A 86 99.808 -0.558 3.979 1.00 0.00 C ATOM 1455 CG1 ILE A 86 101.169 -0.098 4.529 1.00 0.00 C ATOM 1456 CG2 ILE A 86 99.833 -0.496 2.449 1.00 0.00 C ATOM 1457 CD1 ILE A 86 102.126 -1.285 4.567 1.00 0.00 C ATOM 0 H ILE A 86 98.291 -1.278 5.782 1.00 0.00 H new ATOM 0 HA ILE A 86 99.156 1.259 4.920 1.00 0.00 H new ATOM 0 HB ILE A 86 99.612 -1.583 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 86 101.579 0.694 3.902 1.00 0.00 H new ATOM 0 HG13 ILE A 86 101.048 0.318 5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 86 100.624 -1.144 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 86 98.872 -0.829 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 86 100.021 0.529 2.129 1.00 0.00 H new ATOM 0 HD11 ILE A 86 103.091 -0.962 4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 86 101.716 -2.062 5.212 1.00 0.00 H new ATOM 0 HD13 ILE A 86 102.255 -1.681 3.560 1.00 0.00 H new ATOM 1469 N LYS A 87 96.770 -0.134 3.152 1.00 0.00 N ATOM 1470 CA LYS A 87 95.809 0.115 2.094 1.00 0.00 C ATOM 1471 C LYS A 87 95.130 1.457 2.296 1.00 0.00 C ATOM 1472 O LYS A 87 95.030 2.255 1.363 1.00 0.00 O ATOM 1473 CB LYS A 87 94.748 -0.993 2.086 1.00 0.00 C ATOM 1474 CG LYS A 87 93.493 -0.504 1.355 1.00 0.00 C ATOM 1475 CD LYS A 87 92.533 -1.671 1.144 1.00 0.00 C ATOM 1476 CE LYS A 87 91.307 -1.186 0.366 1.00 0.00 C ATOM 1477 NZ LYS A 87 90.419 -2.345 0.068 1.00 0.00 N ATOM 0 H LYS A 87 96.639 -1.014 3.650 1.00 0.00 H new ATOM 0 HA LYS A 87 96.339 0.126 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 87 95.142 -1.883 1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 87 94.497 -1.277 3.108 1.00 0.00 H new ATOM 0 HG2 LYS A 87 93.006 0.280 1.934 1.00 0.00 H new ATOM 0 HG3 LYS A 87 93.767 -0.068 0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 87 93.031 -2.472 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 87 92.228 -2.084 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 87 90.766 -0.439 0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 87 91.618 -0.704 -0.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 89.586 -2.017 -0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 90.938 -3.043 -0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 90.113 -2.786 0.959 1.00 0.00 H new ATOM 1491 N GLU A 88 94.671 1.707 3.515 1.00 0.00 N ATOM 1492 CA GLU A 88 94.007 2.962 3.820 1.00 0.00 C ATOM 1493 C GLU A 88 95.018 4.050 4.156 1.00 0.00 C ATOM 1494 O GLU A 88 94.681 5.234 4.199 1.00 0.00 O ATOM 1495 CB GLU A 88 93.039 2.752 4.992 1.00 0.00 C ATOM 1496 CG GLU A 88 93.732 3.067 6.322 1.00 0.00 C ATOM 1497 CD GLU A 88 93.726 4.568 6.580 1.00 0.00 C ATOM 1498 OE1 GLU A 88 92.712 5.191 6.314 1.00 0.00 O ATOM 1499 OE2 GLU A 88 94.740 5.076 7.030 1.00 0.00 O ATOM 0 H GLU A 88 94.746 1.062 4.301 1.00 0.00 H new ATOM 0 HA GLU A 88 93.450 3.287 2.941 1.00 0.00 H new ATOM 0 HB2 GLU A 88 92.166 3.392 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 88 92.681 1.722 4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 88 93.224 2.549 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 88 94.758 2.699 6.301 1.00 0.00 H new ATOM 1506 N LEU A 89 96.234 3.635 4.485 1.00 0.00 N ATOM 1507 CA LEU A 89 97.253 4.580 4.906 1.00 0.00 C ATOM 1508 C LEU A 89 97.526 5.587 3.807 1.00 0.00 C ATOM 1509 O LEU A 89 97.711 6.776 4.071 1.00 0.00 O ATOM 1510 CB LEU A 89 98.551 3.838 5.240 1.00 0.00 C ATOM 1511 CG LEU A 89 99.561 4.785 5.872 1.00 0.00 C ATOM 1512 CD1 LEU A 89 99.030 5.297 7.215 1.00 0.00 C ATOM 1513 CD2 LEU A 89 100.888 4.060 6.092 1.00 0.00 C ATOM 0 H LEU A 89 96.534 2.660 4.468 1.00 0.00 H new ATOM 0 HA LEU A 89 96.891 5.103 5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 89 98.340 3.014 5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 89 98.971 3.402 4.333 1.00 0.00 H new ATOM 0 HG LEU A 89 99.718 5.630 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 89 99.759 5.974 7.660 1.00 0.00 H new ATOM 0 HD12 LEU A 89 98.091 5.828 7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 89 98.861 4.454 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 89 101.606 4.744 6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 89 100.732 3.208 6.754 1.00 0.00 H new ATOM 0 HD23 LEU A 89 101.274 3.710 5.135 1.00 0.00 H new ATOM 1525 N ILE A 90 97.564 5.101 2.574 1.00 0.00 N ATOM 1526 CA ILE A 90 97.829 5.968 1.440 1.00 0.00 C ATOM 1527 C ILE A 90 96.747 7.044 1.325 1.00 0.00 C ATOM 1528 O ILE A 90 97.036 8.208 1.042 1.00 0.00 O ATOM 1529 CB ILE A 90 97.877 5.148 0.141 1.00 0.00 C ATOM 1530 CG1 ILE A 90 99.105 4.234 0.182 1.00 0.00 C ATOM 1531 CG2 ILE A 90 97.974 6.098 -1.068 1.00 0.00 C ATOM 1532 CD1 ILE A 90 99.225 3.482 -1.149 1.00 0.00 C ATOM 0 H ILE A 90 97.416 4.120 2.337 1.00 0.00 H new ATOM 0 HA ILE A 90 98.795 6.449 1.597 1.00 0.00 H new ATOM 0 HB ILE A 90 96.972 4.548 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 90 100.004 4.823 0.362 1.00 0.00 H new ATOM 0 HG13 ILE A 90 99.018 3.526 1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 90 98.008 5.514 -1.988 1.00 0.00 H new ATOM 0 HG22 ILE A 90 97.103 6.754 -1.086 1.00 0.00 H new ATOM 0 HG23 ILE A 90 98.879 6.699 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 90 100.099 2.831 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 90 98.330 2.881 -1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 90 99.332 4.199 -1.963 1.00 0.00 H new ATOM 1544 N ASP A 91 95.496 6.642 1.517 1.00 0.00 N ATOM 1545 CA ASP A 91 94.376 7.572 1.411 1.00 0.00 C ATOM 1546 C ASP A 91 94.593 8.769 2.328 1.00 0.00 C ATOM 1547 O ASP A 91 94.312 9.907 1.950 1.00 0.00 O ATOM 1548 CB ASP A 91 93.070 6.860 1.788 1.00 0.00 C ATOM 1549 CG ASP A 91 92.492 6.116 0.578 1.00 0.00 C ATOM 1550 OD1 ASP A 91 91.649 5.259 0.777 1.00 0.00 O ATOM 1551 OD2 ASP A 91 92.910 6.419 -0.528 1.00 0.00 O ATOM 0 H ASP A 91 95.232 5.684 1.746 1.00 0.00 H new ATOM 0 HA ASP A 91 94.310 7.925 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.254 6.157 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 91 92.346 7.587 2.154 1.00 0.00 H new ATOM 1556 N LYS A 92 95.105 8.510 3.523 1.00 0.00 N ATOM 1557 CA LYS A 92 95.367 9.580 4.477 1.00 0.00 C ATOM 1558 C LYS A 92 96.463 10.508 3.961 1.00 0.00 C ATOM 1559 O LYS A 92 97.407 10.066 3.309 1.00 0.00 O ATOM 1560 CB LYS A 92 95.787 8.995 5.826 1.00 0.00 C ATOM 1561 CG LYS A 92 94.565 8.405 6.534 1.00 0.00 C ATOM 1562 CD LYS A 92 94.971 7.904 7.920 1.00 0.00 C ATOM 1563 CE LYS A 92 93.734 7.391 8.660 1.00 0.00 C ATOM 1564 NZ LYS A 92 94.132 6.879 10.001 1.00 0.00 N ATOM 0 H LYS A 92 95.346 7.576 3.854 1.00 0.00 H new ATOM 0 HA LYS A 92 94.449 10.154 4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 92 96.543 8.223 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 92 96.239 9.770 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.784 9.160 6.623 1.00 0.00 H new ATOM 0 HG3 LYS A 92 94.151 7.586 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 92 95.709 7.107 7.828 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.439 8.709 8.487 1.00 0.00 H new ATOM 0 HE2 LYS A 92 93.003 8.193 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 92 93.256 6.599 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 93.291 6.531 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 94.814 6.102 9.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 94.570 7.646 10.550 1.00 0.00 H new ATOM 1578 N LYS A 93 96.325 11.797 4.254 1.00 0.00 N ATOM 1579 CA LYS A 93 97.307 12.781 3.811 1.00 0.00 C ATOM 1580 C LYS A 93 98.638 12.570 4.524 1.00 0.00 C ATOM 1581 O LYS A 93 99.553 13.385 4.406 1.00 0.00 O ATOM 1582 CB LYS A 93 96.789 14.194 4.090 1.00 0.00 C ATOM 1583 CG LYS A 93 96.623 14.393 5.599 1.00 0.00 C ATOM 1584 CD LYS A 93 95.984 15.756 5.868 1.00 0.00 C ATOM 1585 CE LYS A 93 95.826 15.956 7.376 1.00 0.00 C ATOM 1586 NZ LYS A 93 95.222 17.292 7.639 1.00 0.00 N ATOM 0 H LYS A 93 95.549 12.183 4.792 1.00 0.00 H new ATOM 0 HA LYS A 93 97.463 12.657 2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.484 14.932 3.690 1.00 0.00 H new ATOM 0 HB3 LYS A 93 95.835 14.348 3.586 1.00 0.00 H new ATOM 0 HG2 LYS A 93 96.001 13.600 6.015 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.592 14.330 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 93 96.603 16.549 5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 93 95.012 15.817 5.378 1.00 0.00 H new ATOM 0 HE2 LYS A 93 95.195 15.171 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 93 96.796 15.880 7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 95.114 17.429 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 95.840 18.034 7.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 94.289 17.347 7.183 1.00 0.00 H new ATOM 1600 N GLU A 94 98.738 11.476 5.270 1.00 0.00 N ATOM 1601 CA GLU A 94 99.959 11.168 6.005 1.00 0.00 C ATOM 1602 C GLU A 94 101.062 10.728 5.044 1.00 0.00 C ATOM 1603 O GLU A 94 101.631 9.648 5.186 1.00 0.00 O ATOM 1604 CB GLU A 94 99.692 10.064 7.028 1.00 0.00 C ATOM 1605 CG GLU A 94 100.884 9.951 7.986 1.00 0.00 C ATOM 1606 CD GLU A 94 100.571 8.953 9.092 1.00 0.00 C ATOM 1607 OE1 GLU A 94 99.414 8.585 9.221 1.00 0.00 O ATOM 1608 OE2 GLU A 94 101.491 8.575 9.798 1.00 0.00 O ATOM 0 H GLU A 94 97.992 10.790 5.382 1.00 0.00 H new ATOM 0 HA GLU A 94 100.285 12.067 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 94 98.783 10.285 7.587 1.00 0.00 H new ATOM 0 HB3 GLU A 94 99.530 9.114 6.519 1.00 0.00 H new ATOM 0 HG2 GLU A 94 101.772 9.633 7.439 1.00 0.00 H new ATOM 0 HG3 GLU A 94 101.108 10.926 8.418 1.00 0.00 H new ATOM 1615 N VAL A 95 101.344 11.563 4.052 1.00 0.00 N ATOM 1616 CA VAL A 95 102.370 11.241 3.064 1.00 0.00 C ATOM 1617 C VAL A 95 103.595 12.125 3.269 1.00 0.00 C ATOM 1618 O VAL A 95 103.473 13.309 3.590 1.00 0.00 O ATOM 1619 CB VAL A 95 101.818 11.441 1.652 1.00 0.00 C ATOM 1620 CG1 VAL A 95 100.378 10.936 1.585 1.00 0.00 C ATOM 1621 CG2 VAL A 95 101.853 12.932 1.300 1.00 0.00 C ATOM 0 H VAL A 95 100.882 12.461 3.909 1.00 0.00 H new ATOM 0 HA VAL A 95 102.661 10.198 3.190 1.00 0.00 H new ATOM 0 HB VAL A 95 102.428 10.882 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 95 99.988 11.080 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 95 100.352 9.876 1.836 1.00 0.00 H new ATOM 0 HG13 VAL A 95 99.764 11.491 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 95 101.460 13.078 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 95 101.243 13.488 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 95 102.881 13.292 1.344 1.00 0.00 H new ATOM 1631 N ASN A 96 104.774 11.540 3.092 1.00 0.00 N ATOM 1632 CA ASN A 96 106.011 12.279 3.271 1.00 0.00 C ATOM 1633 C ASN A 96 106.371 13.052 2.002 1.00 0.00 C ATOM 1634 O ASN A 96 105.752 12.865 0.953 1.00 0.00 O ATOM 1635 CB ASN A 96 107.149 11.317 3.630 1.00 0.00 C ATOM 1636 CG ASN A 96 106.602 9.910 3.810 1.00 0.00 C ATOM 1637 OD1 ASN A 96 107.145 8.954 3.255 1.00 0.00 O ATOM 1638 ND2 ASN A 96 105.552 9.720 4.562 1.00 0.00 N ATOM 0 H ASN A 96 104.896 10.563 2.827 1.00 0.00 H new ATOM 0 HA ASN A 96 105.869 12.992 4.083 1.00 0.00 H new ATOM 0 HB2 ASN A 96 107.904 11.325 2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 96 107.639 11.646 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 96 105.180 8.779 4.691 1.00 0.00 H new ATOM 0 HD22 ASN A 96 105.103 10.513 5.021 1.00 0.00 H new ATOM 1645 N PRO A 97 107.365 13.902 2.077 1.00 0.00 N ATOM 1646 CA PRO A 97 107.826 14.714 0.913 1.00 0.00 C ATOM 1647 C PRO A 97 108.037 13.866 -0.331 1.00 0.00 C ATOM 1648 O PRO A 97 108.168 14.396 -1.434 1.00 0.00 O ATOM 1649 CB PRO A 97 109.142 15.322 1.393 1.00 0.00 C ATOM 1650 CG PRO A 97 109.045 15.357 2.880 1.00 0.00 C ATOM 1651 CD PRO A 97 108.160 14.191 3.286 1.00 0.00 C ATOM 0 HA PRO A 97 107.090 15.463 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 97 109.993 14.722 1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 97 109.284 16.323 0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 97 110.032 15.271 3.335 1.00 0.00 H new ATOM 0 HG3 PRO A 97 108.620 16.302 3.218 1.00 0.00 H new ATOM 0 HD2 PRO A 97 108.753 13.328 3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 97 107.521 14.451 4.130 1.00 0.00 H new ATOM 1659 N GLN A 98 108.054 12.551 -0.151 1.00 0.00 N ATOM 1660 CA GLN A 98 108.237 11.640 -1.276 1.00 0.00 C ATOM 1661 C GLN A 98 107.352 12.047 -2.443 1.00 0.00 C ATOM 1662 O GLN A 98 107.521 11.554 -3.549 1.00 0.00 O ATOM 1663 CB GLN A 98 107.899 10.212 -0.848 1.00 0.00 C ATOM 1664 CG GLN A 98 106.395 9.978 -0.975 1.00 0.00 C ATOM 1665 CD GLN A 98 105.967 8.772 -0.134 1.00 0.00 C ATOM 1666 OE1 GLN A 98 105.012 8.077 -0.479 1.00 0.00 O ATOM 1667 NE2 GLN A 98 106.629 8.481 0.953 1.00 0.00 N ATOM 0 H GLN A 98 107.944 12.094 0.754 1.00 0.00 H new ATOM 0 HA GLN A 98 109.279 11.687 -1.594 1.00 0.00 H new ATOM 0 HB2 GLN A 98 108.441 9.498 -1.468 1.00 0.00 H new ATOM 0 HB3 GLN A 98 108.217 10.046 0.181 1.00 0.00 H new ATOM 0 HG2 GLN A 98 105.854 10.866 -0.649 1.00 0.00 H new ATOM 0 HG3 GLN A 98 106.134 9.811 -2.020 1.00 0.00 H new ATOM 0 HE21 GLN A 98 107.420 9.058 1.238 1.00 0.00 H new ATOM 0 HE22 GLN A 98 106.355 7.677 1.517 1.00 0.00 H new ATOM 1676 N VAL A 99 106.395 12.931 -2.184 1.00 0.00 N ATOM 1677 CA VAL A 99 105.478 13.375 -3.229 1.00 0.00 C ATOM 1678 C VAL A 99 106.242 14.038 -4.370 1.00 0.00 C ATOM 1679 O VAL A 99 106.043 13.701 -5.538 1.00 0.00 O ATOM 1680 CB VAL A 99 104.481 14.378 -2.644 1.00 0.00 C ATOM 1681 CG1 VAL A 99 103.626 14.963 -3.768 1.00 0.00 C ATOM 1682 CG2 VAL A 99 103.581 13.668 -1.635 1.00 0.00 C ATOM 0 H VAL A 99 106.234 13.351 -1.269 1.00 0.00 H new ATOM 0 HA VAL A 99 104.949 12.505 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 99 105.023 15.182 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 99 102.916 15.677 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 99 104.269 15.469 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 99 103.083 14.161 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 99 102.870 14.381 -1.217 1.00 0.00 H new ATOM 0 HG22 VAL A 99 103.039 12.864 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 99 104.191 13.251 -0.833 1.00 0.00 H new ATOM 1692 N MET A 100 107.125 14.970 -4.029 1.00 0.00 N ATOM 1693 CA MET A 100 107.920 15.663 -5.039 1.00 0.00 C ATOM 1694 C MET A 100 108.828 14.683 -5.774 1.00 0.00 C ATOM 1695 O MET A 100 108.938 14.724 -6.998 1.00 0.00 O ATOM 1696 CB MET A 100 108.762 16.755 -4.382 1.00 0.00 C ATOM 1697 CG MET A 100 109.540 17.518 -5.455 1.00 0.00 C ATOM 1698 SD MET A 100 110.407 18.911 -4.691 1.00 0.00 S ATOM 1699 CE MET A 100 111.516 17.941 -3.642 1.00 0.00 C ATOM 0 H MET A 100 107.308 15.262 -3.069 1.00 0.00 H new ATOM 0 HA MET A 100 107.241 16.117 -5.761 1.00 0.00 H new ATOM 0 HB2 MET A 100 108.120 17.440 -3.828 1.00 0.00 H new ATOM 0 HB3 MET A 100 109.452 16.313 -3.663 1.00 0.00 H new ATOM 0 HG2 MET A 100 110.254 16.855 -5.943 1.00 0.00 H new ATOM 0 HG3 MET A 100 108.860 17.878 -6.227 1.00 0.00 H new ATOM 0 HE1 MET A 100 112.419 18.516 -3.437 1.00 0.00 H new ATOM 0 HE2 MET A 100 111.015 17.705 -2.703 1.00 0.00 H new ATOM 0 HE3 MET A 100 111.784 17.016 -4.153 1.00 0.00 H new ATOM 1709 N ALA A 101 109.478 13.808 -5.020 1.00 0.00 N ATOM 1710 CA ALA A 101 110.377 12.819 -5.602 1.00 0.00 C ATOM 1711 C ALA A 101 109.588 11.706 -6.283 1.00 0.00 C ATOM 1712 O ALA A 101 110.141 10.907 -7.038 1.00 0.00 O ATOM 1713 CB ALA A 101 111.277 12.226 -4.510 1.00 0.00 C ATOM 0 H ALA A 101 109.400 13.762 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 101 110.995 13.313 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 101 111.946 11.488 -4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 101 111.865 13.021 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 101 110.660 11.747 -3.750 1.00 0.00 H new ATOM 1719 N ALA A 102 108.296 11.649 -5.989 1.00 0.00 N ATOM 1720 CA ALA A 102 107.432 10.627 -6.567 1.00 0.00 C ATOM 1721 C ALA A 102 106.788 11.116 -7.860 1.00 0.00 C ATOM 1722 O ALA A 102 106.450 10.322 -8.738 1.00 0.00 O ATOM 1723 CB ALA A 102 106.349 10.233 -5.564 1.00 0.00 C ATOM 0 H ALA A 102 107.824 12.295 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 102 108.045 9.757 -6.801 1.00 0.00 H new ATOM 0 HB1 ALA A 102 105.707 9.469 -6.003 1.00 0.00 H new ATOM 0 HB2 ALA A 102 106.815 9.840 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA A 102 105.751 11.109 -5.312 1.00 0.00 H new ATOM 1729 N VAL A 103 106.610 12.428 -7.964 1.00 0.00 N ATOM 1730 CA VAL A 103 105.993 13.013 -9.149 1.00 0.00 C ATOM 1731 C VAL A 103 106.812 12.682 -10.390 1.00 0.00 C ATOM 1732 O VAL A 103 106.261 12.295 -11.421 1.00 0.00 O ATOM 1733 CB VAL A 103 105.894 14.531 -8.991 1.00 0.00 C ATOM 1734 CG1 VAL A 103 105.504 15.161 -10.330 1.00 0.00 C ATOM 1735 CG2 VAL A 103 104.826 14.864 -7.945 1.00 0.00 C ATOM 0 H VAL A 103 106.882 13.102 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 103 104.993 12.595 -9.262 1.00 0.00 H new ATOM 0 HB VAL A 103 106.858 14.926 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 103 105.434 16.243 -10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 103 106.260 14.923 -11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 103 104.540 14.766 -10.651 1.00 0.00 H new ATOM 0 HG21 VAL A 103 104.754 15.946 -7.831 1.00 0.00 H new ATOM 0 HG22 VAL A 103 103.864 14.468 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 103 105.100 14.416 -6.990 1.00 0.00 H new ATOM 1745 N ALA A 104 108.128 12.839 -10.290 1.00 0.00 N ATOM 1746 CA ALA A 104 109.007 12.553 -11.416 1.00 0.00 C ATOM 1747 C ALA A 104 108.839 11.108 -11.873 1.00 0.00 C ATOM 1748 O ALA A 104 108.881 10.817 -13.068 1.00 0.00 O ATOM 1749 CB ALA A 104 110.463 12.793 -11.008 1.00 0.00 C ATOM 0 H ALA A 104 108.605 13.160 -9.448 1.00 0.00 H new ATOM 0 HA ALA A 104 108.742 13.215 -12.240 1.00 0.00 H new ATOM 0 HB1 ALA A 104 111.118 12.578 -11.853 1.00 0.00 H new ATOM 0 HB2 ALA A 104 110.590 13.833 -10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 104 110.720 12.139 -10.174 1.00 0.00 H new ATOM 1755 N GLN A 105 108.651 10.207 -10.915 1.00 0.00 N ATOM 1756 CA GLN A 105 108.479 8.793 -11.232 1.00 0.00 C ATOM 1757 C GLN A 105 107.179 8.573 -12.002 1.00 0.00 C ATOM 1758 O GLN A 105 107.126 7.769 -12.933 1.00 0.00 O ATOM 1759 CB GLN A 105 108.461 7.969 -9.945 1.00 0.00 C ATOM 1760 CG GLN A 105 109.757 8.206 -9.169 1.00 0.00 C ATOM 1761 CD GLN A 105 110.949 7.696 -9.969 1.00 0.00 C ATOM 1762 OE1 GLN A 105 110.950 6.549 -10.415 1.00 0.00 O ATOM 1763 NE2 GLN A 105 111.970 8.480 -10.176 1.00 0.00 N ATOM 0 H GLN A 105 108.614 10.427 -9.920 1.00 0.00 H new ATOM 0 HA GLN A 105 109.315 8.473 -11.854 1.00 0.00 H new ATOM 0 HB2 GLN A 105 107.603 8.248 -9.334 1.00 0.00 H new ATOM 0 HB3 GLN A 105 108.354 6.910 -10.180 1.00 0.00 H new ATOM 0 HG2 GLN A 105 109.877 9.270 -8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 105 109.711 7.697 -8.206 1.00 0.00 H new ATOM 0 HE21 GLN A 105 111.967 9.430 -9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 105 112.772 8.143 -10.709 1.00 0.00 H new ATOM 1772 N THR A 106 106.132 9.288 -11.601 1.00 0.00 N ATOM 1773 CA THR A 106 104.836 9.164 -12.259 1.00 0.00 C ATOM 1774 C THR A 106 104.909 9.679 -13.692 1.00 0.00 C ATOM 1775 O THR A 106 105.496 10.729 -13.954 1.00 0.00 O ATOM 1776 CB THR A 106 103.777 9.951 -11.485 1.00 0.00 C ATOM 1777 OG1 THR A 106 103.788 9.542 -10.124 1.00 0.00 O ATOM 1778 CG2 THR A 106 102.398 9.690 -12.091 1.00 0.00 C ATOM 0 H THR A 106 106.155 9.955 -10.829 1.00 0.00 H new ATOM 0 HA THR A 106 104.561 8.109 -12.278 1.00 0.00 H new ATOM 0 HB THR A 106 103.998 11.017 -11.546 1.00 0.00 H new ATOM 0 HG1 THR A 106 104.580 9.909 -9.679 1.00 0.00 H new ATOM 0 HG21 THR A 106 101.645 10.252 -11.538 1.00 0.00 H new ATOM 0 HG22 THR A 106 102.393 10.006 -13.134 1.00 0.00 H new ATOM 0 HG23 THR A 106 102.171 8.625 -12.034 1.00 0.00 H new ATOM 1786 N GLU A 107 104.313 8.932 -14.617 1.00 0.00 N ATOM 1787 CA GLU A 107 104.321 9.324 -16.021 1.00 0.00 C ATOM 1788 C GLU A 107 102.973 9.920 -16.417 1.00 0.00 C ATOM 1789 O GLU A 107 101.924 9.461 -15.965 1.00 0.00 O ATOM 1790 CB GLU A 107 104.619 8.110 -16.902 1.00 0.00 C ATOM 1791 CG GLU A 107 105.998 7.548 -16.543 1.00 0.00 C ATOM 1792 CD GLU A 107 106.326 6.361 -17.443 1.00 0.00 C ATOM 1793 OE1 GLU A 107 107.283 5.666 -17.148 1.00 0.00 O ATOM 1794 OE2 GLU A 107 105.617 6.167 -18.417 1.00 0.00 O ATOM 0 H GLU A 107 103.823 8.059 -14.421 1.00 0.00 H new ATOM 0 HA GLU A 107 105.097 10.076 -16.164 1.00 0.00 H new ATOM 0 HB2 GLU A 107 103.854 7.346 -16.759 1.00 0.00 H new ATOM 0 HB3 GLU A 107 104.593 8.395 -17.954 1.00 0.00 H new ATOM 0 HG2 GLU A 107 106.757 8.322 -16.657 1.00 0.00 H new ATOM 0 HG3 GLU A 107 106.013 7.238 -15.498 1.00 0.00 H new ATOM 1801 N GLU A 108 103.010 10.943 -17.266 1.00 0.00 N ATOM 1802 CA GLU A 108 101.783 11.590 -17.716 1.00 0.00 C ATOM 1803 C GLU A 108 100.982 10.651 -18.610 1.00 0.00 C ATOM 1804 O GLU A 108 101.456 10.225 -19.663 1.00 0.00 O ATOM 1805 CB GLU A 108 102.121 12.869 -18.487 1.00 0.00 C ATOM 1806 CG GLU A 108 102.709 13.904 -17.526 1.00 0.00 C ATOM 1807 CD GLU A 108 103.103 15.163 -18.292 1.00 0.00 C ATOM 1808 OE1 GLU A 108 103.532 16.109 -17.655 1.00 0.00 O ATOM 1809 OE2 GLU A 108 102.965 15.162 -19.504 1.00 0.00 O ATOM 0 H GLU A 108 103.867 11.338 -17.653 1.00 0.00 H new ATOM 0 HA GLU A 108 101.183 11.841 -16.842 1.00 0.00 H new ATOM 0 HB2 GLU A 108 102.833 12.649 -19.282 1.00 0.00 H new ATOM 0 HB3 GLU A 108 101.225 13.267 -18.963 1.00 0.00 H new ATOM 0 HG2 GLU A 108 101.980 14.151 -16.754 1.00 0.00 H new ATOM 0 HG3 GLU A 108 103.580 13.489 -17.020 1.00 0.00 H new ATOM 1816 N ILE A 109 99.764 10.333 -18.187 1.00 0.00 N ATOM 1817 CA ILE A 109 98.909 9.441 -18.960 1.00 0.00 C ATOM 1818 C ILE A 109 98.995 9.766 -20.445 1.00 0.00 C ATOM 1819 O ILE A 109 98.772 8.902 -21.293 1.00 0.00 O ATOM 1820 CB ILE A 109 97.455 9.573 -18.481 1.00 0.00 C ATOM 1821 CG1 ILE A 109 97.004 11.035 -18.617 1.00 0.00 C ATOM 1822 CG2 ILE A 109 97.354 9.141 -17.011 1.00 0.00 C ATOM 1823 CD1 ILE A 109 95.507 11.141 -18.319 1.00 0.00 C ATOM 0 H ILE A 109 99.349 10.676 -17.321 1.00 0.00 H new ATOM 0 HA ILE A 109 99.250 8.417 -18.810 1.00 0.00 H new ATOM 0 HB ILE A 109 96.814 8.935 -19.089 1.00 0.00 H new ATOM 0 HG12 ILE A 109 97.567 11.665 -17.929 1.00 0.00 H new ATOM 0 HG13 ILE A 109 97.211 11.398 -19.624 1.00 0.00 H new ATOM 0 HG21 ILE A 109 96.322 9.236 -16.674 1.00 0.00 H new ATOM 0 HG22 ILE A 109 97.674 8.103 -16.914 1.00 0.00 H new ATOM 0 HG23 ILE A 109 97.995 9.777 -16.400 1.00 0.00 H new ATOM 0 HD11 ILE A 109 95.189 12.179 -18.416 1.00 0.00 H new ATOM 0 HD12 ILE A 109 94.951 10.524 -19.025 1.00 0.00 H new ATOM 0 HD13 ILE A 109 95.313 10.796 -17.304 1.00 0.00 H new ATOM 1835 N LEU A 110 99.312 11.018 -20.753 1.00 0.00 N ATOM 1836 CA LEU A 110 99.424 11.448 -22.141 1.00 0.00 C ATOM 1837 C LEU A 110 100.560 10.712 -22.841 1.00 0.00 C ATOM 1838 O LEU A 110 100.422 10.288 -23.987 1.00 0.00 O ATOM 1839 CB LEU A 110 99.678 12.956 -22.200 1.00 0.00 C ATOM 1840 CG LEU A 110 98.465 13.704 -21.638 1.00 0.00 C ATOM 1841 CD1 LEU A 110 98.775 15.200 -21.565 1.00 0.00 C ATOM 1842 CD2 LEU A 110 97.247 13.478 -22.540 1.00 0.00 C ATOM 0 H LEU A 110 99.495 11.749 -20.065 1.00 0.00 H new ATOM 0 HA LEU A 110 98.489 11.216 -22.650 1.00 0.00 H new ATOM 0 HB2 LEU A 110 100.570 13.207 -21.627 1.00 0.00 H new ATOM 0 HB3 LEU A 110 99.863 13.264 -23.229 1.00 0.00 H new ATOM 0 HG LEU A 110 98.245 13.327 -20.639 1.00 0.00 H new ATOM 0 HD11 LEU A 110 97.911 15.731 -21.165 1.00 0.00 H new ATOM 0 HD12 LEU A 110 99.634 15.362 -20.914 1.00 0.00 H new ATOM 0 HD13 LEU A 110 99.001 15.574 -22.564 1.00 0.00 H new ATOM 0 HD21 LEU A 110 96.389 14.013 -22.133 1.00 0.00 H new ATOM 0 HD22 LEU A 110 97.463 13.847 -23.543 1.00 0.00 H new ATOM 0 HD23 LEU A 110 97.021 12.413 -22.587 1.00 0.00 H new ATOM 1854 N LYS A 111 101.677 10.558 -22.139 1.00 0.00 N ATOM 1855 CA LYS A 111 102.831 9.867 -22.696 1.00 0.00 C ATOM 1856 C LYS A 111 102.487 8.418 -23.007 1.00 0.00 C ATOM 1857 O LYS A 111 103.026 7.833 -23.947 1.00 0.00 O ATOM 1858 CB LYS A 111 104.001 9.920 -21.713 1.00 0.00 C ATOM 1859 CG LYS A 111 105.240 9.294 -22.360 1.00 0.00 C ATOM 1860 CD LYS A 111 106.422 9.386 -21.392 1.00 0.00 C ATOM 1861 CE LYS A 111 107.667 8.786 -22.049 1.00 0.00 C ATOM 1862 NZ LYS A 111 108.833 8.943 -21.135 1.00 0.00 N ATOM 0 H LYS A 111 101.807 10.901 -21.187 1.00 0.00 H new ATOM 0 HA LYS A 111 103.117 10.367 -23.622 1.00 0.00 H new ATOM 0 HB2 LYS A 111 104.207 10.953 -21.432 1.00 0.00 H new ATOM 0 HB3 LYS A 111 103.746 9.385 -20.798 1.00 0.00 H new ATOM 0 HG2 LYS A 111 105.044 8.252 -22.614 1.00 0.00 H new ATOM 0 HG3 LYS A 111 105.477 9.809 -23.291 1.00 0.00 H new ATOM 0 HD2 LYS A 111 106.605 10.426 -21.123 1.00 0.00 H new ATOM 0 HD3 LYS A 111 106.192 8.854 -20.469 1.00 0.00 H new ATOM 0 HE2 LYS A 111 107.503 7.731 -22.269 1.00 0.00 H new ATOM 0 HE3 LYS A 111 107.866 9.283 -22.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 109.680 8.536 -21.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 108.993 9.953 -20.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 108.641 8.450 -20.240 1.00 0.00 H new ATOM 1876 N SER A 112 101.598 7.842 -22.204 1.00 0.00 N ATOM 1877 CA SER A 112 101.197 6.457 -22.396 1.00 0.00 C ATOM 1878 C SER A 112 101.061 6.135 -23.878 1.00 0.00 C ATOM 1879 O SER A 112 101.870 5.395 -24.442 1.00 0.00 O ATOM 1880 CB SER A 112 99.868 6.193 -21.690 1.00 0.00 C ATOM 1881 OG SER A 112 99.586 4.800 -21.718 1.00 0.00 O ATOM 0 H SER A 112 101.145 8.311 -21.420 1.00 0.00 H new ATOM 0 HA SER A 112 101.968 5.816 -21.968 1.00 0.00 H new ATOM 0 HB2 SER A 112 99.915 6.545 -20.659 1.00 0.00 H new ATOM 0 HB3 SER A 112 99.067 6.747 -22.180 1.00 0.00 H new ATOM 0 HG SER A 112 98.735 4.629 -21.264 1.00 0.00 H new ATOM 1887 N ASN A 113 100.028 6.687 -24.504 1.00 0.00 N ATOM 1888 CA ASN A 113 99.795 6.444 -25.924 1.00 0.00 C ATOM 1889 C ASN A 113 100.938 7.006 -26.764 1.00 0.00 C ATOM 1890 O ASN A 113 101.501 6.311 -27.609 1.00 0.00 O ATOM 1891 CB ASN A 113 98.481 7.102 -26.350 1.00 0.00 C ATOM 1892 CG ASN A 113 97.353 6.666 -25.421 1.00 0.00 C ATOM 1893 OD1 ASN A 113 97.547 5.675 -24.595 1.00 0.00 O flip ATOM 1894 ND2 ASN A 113 96.268 7.247 -25.446 1.00 0.00 N flip ATOM 0 H ASN A 113 99.345 7.299 -24.058 1.00 0.00 H new ATOM 0 HA ASN A 113 99.739 5.367 -26.085 1.00 0.00 H new ATOM 0 HB2 ASN A 113 98.584 8.187 -26.326 1.00 0.00 H new ATOM 0 HB3 ASN A 113 98.244 6.827 -27.378 1.00 0.00 H new ATOM 0 HD21 ASN A 113 96.119 8.022 -26.093 1.00 0.00 H new ATOM 0 HD22 ASN A 113 95.518 6.954 -24.820 1.00 0.00 H new ATOM 1901 N SER A 114 101.278 8.268 -26.523 1.00 0.00 N ATOM 1902 CA SER A 114 102.358 8.914 -27.261 1.00 0.00 C ATOM 1903 C SER A 114 102.809 10.186 -26.550 1.00 0.00 C ATOM 1904 O SER A 114 102.110 10.699 -25.678 1.00 0.00 O ATOM 1905 CB SER A 114 101.895 9.254 -28.676 1.00 0.00 C ATOM 1906 OG SER A 114 100.843 10.208 -28.608 1.00 0.00 O ATOM 0 H SER A 114 100.825 8.861 -25.827 1.00 0.00 H new ATOM 0 HA SER A 114 103.200 8.223 -27.312 1.00 0.00 H new ATOM 0 HB2 SER A 114 102.726 9.653 -29.257 1.00 0.00 H new ATOM 0 HB3 SER A 114 101.553 8.353 -29.186 1.00 0.00 H new ATOM 0 HG SER A 114 100.544 10.430 -29.514 1.00 0.00 H new ATOM 1912 N GLN A 115 103.978 10.691 -26.932 1.00 0.00 N ATOM 1913 CA GLN A 115 104.510 11.906 -26.323 1.00 0.00 C ATOM 1914 C GLN A 115 103.800 13.139 -26.875 1.00 0.00 C ATOM 1915 O GLN A 115 104.326 13.839 -27.738 1.00 0.00 O ATOM 1916 CB GLN A 115 106.010 12.012 -26.604 1.00 0.00 C ATOM 1917 CG GLN A 115 106.749 10.899 -25.861 1.00 0.00 C ATOM 1918 CD GLN A 115 108.219 10.891 -26.258 1.00 0.00 C ATOM 1919 OE1 GLN A 115 108.678 11.795 -26.958 1.00 0.00 O ATOM 1920 NE2 GLN A 115 108.991 9.919 -25.856 1.00 0.00 N ATOM 0 H GLN A 115 104.571 10.282 -27.654 1.00 0.00 H new ATOM 0 HA GLN A 115 104.341 11.856 -25.247 1.00 0.00 H new ATOM 0 HB2 GLN A 115 106.196 11.934 -27.675 1.00 0.00 H new ATOM 0 HB3 GLN A 115 106.382 12.986 -26.285 1.00 0.00 H new ATOM 0 HG2 GLN A 115 106.656 11.045 -24.785 1.00 0.00 H new ATOM 0 HG3 GLN A 115 106.297 9.935 -26.092 1.00 0.00 H new ATOM 0 HE21 GLN A 115 108.610 9.171 -25.276 1.00 0.00 H new ATOM 0 HE22 GLN A 115 109.976 9.907 -26.121 1.00 0.00 H new ATOM 1929 N THR A 116 102.599 13.391 -26.373 1.00 0.00 N ATOM 1930 CA THR A 116 101.817 14.540 -26.825 1.00 0.00 C ATOM 1931 C THR A 116 102.531 15.841 -26.464 1.00 0.00 C ATOM 1932 O THR A 116 102.603 16.767 -27.273 1.00 0.00 O ATOM 1933 CB THR A 116 100.429 14.524 -26.175 1.00 0.00 C ATOM 1934 OG1 THR A 116 99.901 13.206 -26.235 1.00 0.00 O ATOM 1935 CG2 THR A 116 99.500 15.467 -26.939 1.00 0.00 C ATOM 0 H THR A 116 102.145 12.822 -25.658 1.00 0.00 H new ATOM 0 HA THR A 116 101.709 14.478 -27.908 1.00 0.00 H new ATOM 0 HB THR A 116 100.508 14.846 -25.137 1.00 0.00 H new ATOM 0 HG1 THR A 116 99.014 13.190 -25.819 1.00 0.00 H new ATOM 0 HG21 THR A 116 98.512 15.457 -26.478 1.00 0.00 H new ATOM 0 HG22 THR A 116 99.904 16.479 -26.909 1.00 0.00 H new ATOM 0 HG23 THR A 116 99.420 15.139 -27.975 1.00 0.00 H new ATOM 1943 N ASP A 117 103.048 15.907 -25.241 1.00 0.00 N ATOM 1944 CA ASP A 117 103.744 17.103 -24.780 1.00 0.00 C ATOM 1945 C ASP A 117 104.900 17.444 -25.713 1.00 0.00 C ATOM 1946 O ASP A 117 105.028 18.585 -26.159 1.00 0.00 O ATOM 1947 CB ASP A 117 104.284 16.880 -23.365 1.00 0.00 C ATOM 1948 CG ASP A 117 104.902 18.169 -22.833 1.00 0.00 C ATOM 1949 OD1 ASP A 117 104.984 19.120 -23.593 1.00 0.00 O ATOM 1950 OD2 ASP A 117 105.283 18.186 -21.674 1.00 0.00 O ATOM 0 H ASP A 117 102.999 15.153 -24.556 1.00 0.00 H new ATOM 0 HA ASP A 117 103.036 17.932 -24.776 1.00 0.00 H new ATOM 0 HB2 ASP A 117 103.479 16.555 -22.707 1.00 0.00 H new ATOM 0 HB3 ASP A 117 105.030 16.085 -23.373 1.00 0.00 H new ATOM 1955 N LEU A 118 105.731 16.448 -26.008 1.00 0.00 N ATOM 1956 CA LEU A 118 106.871 16.652 -26.894 1.00 0.00 C ATOM 1957 C LEU A 118 106.741 15.790 -28.145 1.00 0.00 C ATOM 1958 O LEU A 118 106.546 14.579 -28.051 1.00 0.00 O ATOM 1959 CB LEU A 118 108.169 16.302 -26.163 1.00 0.00 C ATOM 1960 CG LEU A 118 108.330 17.216 -24.946 1.00 0.00 C ATOM 1961 CD1 LEU A 118 109.563 16.793 -24.148 1.00 0.00 C ATOM 1962 CD2 LEU A 118 108.496 18.669 -25.407 1.00 0.00 C ATOM 0 H LEU A 118 105.637 15.498 -25.649 1.00 0.00 H new ATOM 0 HA LEU A 118 106.892 17.700 -27.191 1.00 0.00 H new ATOM 0 HB2 LEU A 118 108.152 15.259 -25.848 1.00 0.00 H new ATOM 0 HB3 LEU A 118 109.020 16.419 -26.834 1.00 0.00 H new ATOM 0 HG LEU A 118 107.443 17.135 -24.318 1.00 0.00 H new ATOM 0 HD11 LEU A 118 109.677 17.445 -23.282 1.00 0.00 H new ATOM 0 HD12 LEU A 118 109.444 15.762 -23.814 1.00 0.00 H new ATOM 0 HD13 LEU A 118 110.449 16.870 -24.779 1.00 0.00 H new ATOM 0 HD21 LEU A 118 108.610 19.316 -24.537 1.00 0.00 H new ATOM 0 HD22 LEU A 118 109.380 18.751 -26.039 1.00 0.00 H new ATOM 0 HD23 LEU A 118 107.616 18.974 -25.973 1.00 0.00 H new ATOM 1974 N GLU A 119 106.855 16.420 -29.315 1.00 0.00 N ATOM 1975 CA GLU A 119 106.748 15.696 -30.572 1.00 0.00 C ATOM 1976 C GLU A 119 108.116 15.571 -31.230 1.00 0.00 C ATOM 1977 O GLU A 119 108.775 16.573 -31.505 1.00 0.00 O ATOM 1978 CB GLU A 119 105.792 16.431 -31.514 1.00 0.00 C ATOM 1979 CG GLU A 119 105.588 15.600 -32.782 1.00 0.00 C ATOM 1980 CD GLU A 119 104.558 16.270 -33.684 1.00 0.00 C ATOM 1981 OE1 GLU A 119 104.098 15.620 -34.608 1.00 0.00 O ATOM 1982 OE2 GLU A 119 104.242 17.422 -33.436 1.00 0.00 O ATOM 0 H GLU A 119 107.020 17.422 -29.413 1.00 0.00 H new ATOM 0 HA GLU A 119 106.361 14.698 -30.368 1.00 0.00 H new ATOM 0 HB2 GLU A 119 104.836 16.600 -31.019 1.00 0.00 H new ATOM 0 HB3 GLU A 119 106.197 17.410 -31.769 1.00 0.00 H new ATOM 0 HG2 GLU A 119 106.534 15.493 -33.313 1.00 0.00 H new ATOM 0 HG3 GLU A 119 105.255 14.596 -32.519 1.00 0.00 H new ATOM 1989 N HIS A 120 108.536 14.333 -31.479 1.00 0.00 N ATOM 1990 CA HIS A 120 109.829 14.081 -32.106 1.00 0.00 C ATOM 1991 C HIS A 120 109.654 13.281 -33.392 1.00 0.00 C ATOM 1992 O HIS A 120 108.730 12.477 -33.513 1.00 0.00 O ATOM 1993 CB HIS A 120 110.737 13.313 -31.145 1.00 0.00 C ATOM 1994 CG HIS A 120 110.999 14.154 -29.925 1.00 0.00 C ATOM 1995 ND1 HIS A 120 111.829 15.264 -29.955 1.00 0.00 N ATOM 1996 CD2 HIS A 120 110.549 14.057 -28.631 1.00 0.00 C ATOM 1997 CE1 HIS A 120 111.852 15.786 -28.715 1.00 0.00 C ATOM 1998 NE2 HIS A 120 111.089 15.089 -27.869 1.00 0.00 N ATOM 0 H HIS A 120 108.002 13.493 -31.257 1.00 0.00 H new ATOM 0 HA HIS A 120 110.286 15.041 -32.347 1.00 0.00 H new ATOM 0 HB2 HIS A 120 110.268 12.372 -30.858 1.00 0.00 H new ATOM 0 HB3 HIS A 120 111.677 13.063 -31.637 1.00 0.00 H new ATOM 0 HD2 HIS A 120 109.878 13.296 -28.261 1.00 0.00 H new ATOM 0 HE1 HIS A 120 112.419 16.662 -28.437 1.00 0.00 H new ATOM 0 HE2 HIS A 120 110.935 15.273 -26.878 1.00 0.00 H new ATOM 2007 N HIS A 121 110.545 13.510 -34.351 1.00 0.00 N ATOM 2008 CA HIS A 121 110.481 12.806 -35.627 1.00 0.00 C ATOM 2009 C HIS A 121 111.868 12.330 -36.047 1.00 0.00 C ATOM 2010 O HIS A 121 112.868 13.004 -35.797 1.00 0.00 O ATOM 2011 CB HIS A 121 109.907 13.726 -36.704 1.00 0.00 C ATOM 2012 CG HIS A 121 108.493 14.095 -36.347 1.00 0.00 C ATOM 2013 ND1 HIS A 121 107.434 13.217 -36.523 1.00 0.00 N ATOM 2014 CD2 HIS A 121 107.947 15.241 -35.825 1.00 0.00 C ATOM 2015 CE1 HIS A 121 106.316 13.844 -36.113 1.00 0.00 C ATOM 2016 NE2 HIS A 121 106.573 15.080 -35.678 1.00 0.00 N ATOM 0 H HIS A 121 111.316 14.173 -34.270 1.00 0.00 H new ATOM 0 HA HIS A 121 109.832 11.938 -35.509 1.00 0.00 H new ATOM 0 HB2 HIS A 121 110.517 14.625 -36.793 1.00 0.00 H new ATOM 0 HB3 HIS A 121 109.930 13.228 -37.673 1.00 0.00 H new ATOM 0 HD1 HIS A 121 107.492 12.269 -36.895 1.00 0.00 H new ATOM 0 HD2 HIS A 121 108.500 16.132 -35.568 1.00 0.00 H new ATOM 0 HE1 HIS A 121 105.331 13.401 -36.133 1.00 0.00 H new ATOM 2025 N HIS A 122 111.921 11.166 -36.687 1.00 0.00 N ATOM 2026 CA HIS A 122 113.192 10.611 -37.138 1.00 0.00 C ATOM 2027 C HIS A 122 113.818 11.507 -38.203 1.00 0.00 C ATOM 2028 O HIS A 122 115.017 11.779 -38.171 1.00 0.00 O ATOM 2029 CB HIS A 122 112.975 9.210 -37.713 1.00 0.00 C ATOM 2030 CG HIS A 122 112.614 8.262 -36.603 1.00 0.00 C ATOM 2031 ND1 HIS A 122 113.559 7.771 -35.716 1.00 0.00 N ATOM 2032 CD2 HIS A 122 111.417 7.708 -36.222 1.00 0.00 C ATOM 2033 CE1 HIS A 122 112.921 6.957 -34.855 1.00 0.00 C ATOM 2034 NE2 HIS A 122 111.614 6.884 -35.119 1.00 0.00 N ATOM 0 H HIS A 122 111.106 10.593 -36.904 1.00 0.00 H new ATOM 0 HA HIS A 122 113.866 10.553 -36.283 1.00 0.00 H new ATOM 0 HB2 HIS A 122 112.181 9.231 -38.460 1.00 0.00 H new ATOM 0 HB3 HIS A 122 113.879 8.869 -38.218 1.00 0.00 H new ATOM 0 HD2 HIS A 122 110.467 7.885 -36.705 1.00 0.00 H new ATOM 0 HE1 HIS A 122 113.407 6.427 -34.049 1.00 0.00 H new ATOM 0 HE2 HIS A 122 110.911 6.340 -34.619 1.00 0.00 H new ATOM 2043 N HIS A 123 112.999 11.963 -39.143 1.00 0.00 N ATOM 2044 CA HIS A 123 113.487 12.828 -40.211 1.00 0.00 C ATOM 2045 C HIS A 123 114.077 14.111 -39.635 1.00 0.00 C ATOM 2046 O HIS A 123 115.118 14.586 -40.087 1.00 0.00 O ATOM 2047 CB HIS A 123 112.341 13.177 -41.164 1.00 0.00 C ATOM 2048 CG HIS A 123 111.929 11.947 -41.925 1.00 0.00 C ATOM 2049 ND1 HIS A 123 110.927 11.101 -41.476 1.00 0.00 N ATOM 2050 CD2 HIS A 123 112.376 11.406 -43.105 1.00 0.00 C ATOM 2051 CE1 HIS A 123 110.804 10.106 -42.374 1.00 0.00 C ATOM 2052 NE2 HIS A 123 111.663 10.244 -43.386 1.00 0.00 N ATOM 0 H HIS A 123 112.002 11.751 -39.188 1.00 0.00 H new ATOM 0 HA HIS A 123 114.266 12.295 -40.756 1.00 0.00 H new ATOM 0 HB2 HIS A 123 111.494 13.571 -40.602 1.00 0.00 H new ATOM 0 HB3 HIS A 123 112.655 13.958 -41.857 1.00 0.00 H new ATOM 0 HD2 HIS A 123 113.161 11.819 -43.721 1.00 0.00 H new ATOM 0 HE1 HIS A 123 110.096 9.295 -42.286 1.00 0.00 H new ATOM 0 HE2 HIS A 123 111.773 9.630 -44.193 1.00 0.00 H new ATOM 2061 N HIS A 124 113.403 14.669 -38.633 1.00 0.00 N ATOM 2062 CA HIS A 124 113.870 15.898 -38.003 1.00 0.00 C ATOM 2063 C HIS A 124 115.247 15.694 -37.381 1.00 0.00 C ATOM 2064 O HIS A 124 116.123 16.551 -37.496 1.00 0.00 O ATOM 2065 CB HIS A 124 112.880 16.339 -36.923 1.00 0.00 C ATOM 2066 CG HIS A 124 113.360 17.620 -36.296 1.00 0.00 C ATOM 2067 ND1 HIS A 124 113.280 18.839 -36.950 1.00 0.00 N ATOM 2068 CD2 HIS A 124 113.928 17.886 -35.074 1.00 0.00 C ATOM 2069 CE1 HIS A 124 113.787 19.774 -36.126 1.00 0.00 C ATOM 2070 NE2 HIS A 124 114.197 19.248 -34.970 1.00 0.00 N ATOM 0 H HIS A 124 112.539 14.293 -38.243 1.00 0.00 H new ATOM 0 HA HIS A 124 113.942 16.671 -38.768 1.00 0.00 H new ATOM 0 HB2 HIS A 124 111.891 16.483 -37.358 1.00 0.00 H new ATOM 0 HB3 HIS A 124 112.784 15.563 -36.163 1.00 0.00 H new ATOM 0 HD2 HIS A 124 114.134 17.151 -34.310 1.00 0.00 H new ATOM 0 HE1 HIS A 124 113.854 20.824 -36.371 1.00 0.00 H new ATOM 0 HE2 HIS A 124 114.617 19.738 -34.180 1.00 0.00 H new ATOM 2079 N HIS A 125 115.430 14.554 -36.720 1.00 0.00 N ATOM 2080 CA HIS A 125 116.706 14.249 -36.082 1.00 0.00 C ATOM 2081 C HIS A 125 117.112 12.806 -36.361 1.00 0.00 C ATOM 2082 O HIS A 125 116.280 11.932 -36.182 1.00 0.00 O ATOM 2083 CB HIS A 125 116.600 14.468 -34.573 1.00 0.00 C ATOM 2084 CG HIS A 125 115.833 13.332 -33.952 1.00 0.00 C ATOM 2085 ND1 HIS A 125 114.449 13.320 -33.890 1.00 0.00 N ATOM 2086 CD2 HIS A 125 116.245 12.162 -33.364 1.00 0.00 C ATOM 2087 CE1 HIS A 125 114.080 12.178 -33.283 1.00 0.00 C ATOM 2088 NE2 HIS A 125 115.136 11.434 -32.942 1.00 0.00 N ATOM 2089 OXT HIS A 125 118.250 12.595 -36.747 1.00 0.00 O ATOM 0 H HIS A 125 114.717 13.832 -36.613 1.00 0.00 H new ATOM 0 HA HIS A 125 117.465 14.914 -36.493 1.00 0.00 H new ATOM 0 HB2 HIS A 125 117.595 14.531 -34.134 1.00 0.00 H new ATOM 0 HB3 HIS A 125 116.100 15.414 -34.367 1.00 0.00 H new ATOM 0 HD1 HIS A 125 113.824 14.045 -34.241 1.00 0.00 H new ATOM 0 HD2 HIS A 125 117.273 11.853 -33.247 1.00 0.00 H new ATOM 0 HE1 HIS A 125 113.055 11.897 -33.094 1.00 0.00 H new TER 2098 HIS A 125