USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 980 hydrogens (31 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 NoAdj-H: A 46 HIS HE2 : A 46 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 70 HIS HE2 : A 70 HIS NE2 : A 125 HEBFE :(H bumps) USER MOD NoAdj-H: A 117 HIS HE2 : A 117 HIS NE2 : A 125 HEB CAB :(H bumps) USER MOD NoAdj-H: A 125 HEBHAB2 : A 125 HEB CAB : A 117 HIS NE2 :(H bumps) USER MOD NoAdj-H: A 125 HEB H2D : A 125 HEB O2D : A 125 HEB CGD :(short bond) USER MOD NoAdj-H: A 125 HEB H2A : A 125 HEB O2A : A 125 HEB CGA :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -33:sc= -1.68! USER MOD Set 1.2: A 83 HIS : no HD1:sc= 1.31 K(o=-0.37,f=-7.3!) USER MOD Set 2.1: A 22 TYR OH : rot 49:sc=0.000681 USER MOD Set 2.2: A 43 GLN :FLIP amide:sc= -0.185 F(o=-10!,f=-9) USER MOD Set 2.3: A 47 GLN : amide:sc= -8.81! C(o=-9!,f=-20!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.115 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.603 (180deg=-1.77!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 173:sc= -1.13 (180deg=-1.27) USER MOD Single : A 32 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc=-0.00776 K(o=-0.0078,f=-1.6!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -0.0341 (180deg=-0.465) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0971) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 76:sc= 1.1 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 180:sc= -0.0218 (180deg=-0.0218) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-2.5!) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 90 ASN : amide:sc= -0.04 K(o=-0.04,f=-1.6!) USER MOD Single : A 94 THR OG1 : rot 72:sc= 0.957 USER MOD Single : A 96 GLN : amide:sc= -1.52 K(o=-1.5,f=-3.9!) USER MOD Single : A 99 ASN : amide:sc= -0.121 K(o=-0.12,f=-2.4!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.91 K(o=-0.91,f=-1.8) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 73:sc= 1.31 USER MOD Single : A 116 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.183 K(o=-0.18,f=-1.6!) USER MOD Single : A 123 ASN : amide:sc= -3.6! C(o=-3.6!,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -13.856 9.248 -2.959 1.00 0.00 N ATOM 2 CA ALA A 2 -12.375 9.377 -2.851 1.00 0.00 C ATOM 3 C ALA A 2 -11.842 8.302 -1.910 1.00 0.00 C ATOM 4 O ALA A 2 -10.688 8.353 -1.485 1.00 0.00 O ATOM 5 CB ALA A 2 -12.025 10.764 -2.310 1.00 0.00 C ATOM 0 HA ALA A 2 -11.921 9.251 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.942 10.861 -2.230 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.408 11.526 -2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -12.475 10.895 -1.326 1.00 0.00 H new ATOM 13 N SER A 3 -12.689 7.329 -1.590 1.00 0.00 N ATOM 14 CA SER A 3 -12.291 6.246 -0.698 1.00 0.00 C ATOM 15 C SER A 3 -12.514 4.893 -1.366 1.00 0.00 C ATOM 16 O SER A 3 -13.337 4.766 -2.272 1.00 0.00 O ATOM 17 CB SER A 3 -13.097 6.315 0.599 1.00 0.00 C ATOM 18 OG SER A 3 -14.468 6.067 0.316 1.00 0.00 O ATOM 0 H SER A 3 -13.648 7.268 -1.932 1.00 0.00 H new ATOM 0 HA SER A 3 -11.230 6.357 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.723 5.581 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.981 7.296 1.061 1.00 0.00 H new ATOM 0 HG SER A 3 -14.986 6.109 1.147 1.00 0.00 H new ATOM 24 N LEU A 4 -11.774 3.887 -0.914 1.00 0.00 N ATOM 25 CA LEU A 4 -11.898 2.547 -1.477 1.00 0.00 C ATOM 26 C LEU A 4 -13.345 2.070 -1.400 1.00 0.00 C ATOM 27 O LEU A 4 -13.858 1.458 -2.337 1.00 0.00 O ATOM 28 CB LEU A 4 -10.993 1.578 -0.711 1.00 0.00 C ATOM 29 CG LEU A 4 -11.045 0.194 -1.363 1.00 0.00 C ATOM 30 CD1 LEU A 4 -10.402 0.252 -2.750 1.00 0.00 C ATOM 31 CD2 LEU A 4 -10.278 -0.804 -0.492 1.00 0.00 C ATOM 0 H LEU A 4 -11.087 3.972 -0.165 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.594 2.577 -2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.968 1.950 -0.706 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -11.313 1.512 0.329 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.084 -0.121 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.441 -0.735 -3.211 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.943 0.965 -3.372 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.363 0.568 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.313 -1.791 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.240 -0.483 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.734 -0.849 0.497 1.00 0.00 H new ATOM 43 N TYR A 5 -13.998 2.356 -0.279 1.00 0.00 N ATOM 44 CA TYR A 5 -15.387 1.955 -0.091 1.00 0.00 C ATOM 45 C TYR A 5 -16.283 2.609 -1.137 1.00 0.00 C ATOM 46 O TYR A 5 -17.166 1.966 -1.704 1.00 0.00 O ATOM 47 CB TYR A 5 -15.858 2.363 1.306 1.00 0.00 C ATOM 48 CG TYR A 5 -17.286 1.919 1.508 1.00 0.00 C ATOM 49 CD1 TYR A 5 -18.339 2.771 1.154 1.00 0.00 C ATOM 50 CD2 TYR A 5 -17.559 0.659 2.054 1.00 0.00 C ATOM 51 CE1 TYR A 5 -19.665 2.362 1.344 1.00 0.00 C ATOM 52 CE2 TYR A 5 -18.885 0.251 2.244 1.00 0.00 C ATOM 53 CZ TYR A 5 -19.937 1.103 1.889 1.00 0.00 C ATOM 54 OH TYR A 5 -21.244 0.700 2.077 1.00 0.00 O ATOM 0 H TYR A 5 -13.591 2.861 0.508 1.00 0.00 H new ATOM 0 HA TYR A 5 -15.451 0.872 -0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -15.216 1.913 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -15.782 3.444 1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -18.129 3.744 0.734 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -16.747 0.002 2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -20.477 3.019 1.070 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -19.096 -0.721 2.664 1.00 0.00 H new ATOM 0 HH TYR A 5 -21.256 -0.200 2.463 1.00 0.00 H new ATOM 64 N GLU A 6 -16.053 3.894 -1.377 1.00 0.00 N ATOM 65 CA GLU A 6 -16.846 4.639 -2.348 1.00 0.00 C ATOM 66 C GLU A 6 -16.627 4.113 -3.763 1.00 0.00 C ATOM 67 O GLU A 6 -17.542 4.132 -4.587 1.00 0.00 O ATOM 68 CB GLU A 6 -16.472 6.123 -2.291 1.00 0.00 C ATOM 69 CG GLU A 6 -17.420 6.925 -3.185 1.00 0.00 C ATOM 70 CD GLU A 6 -18.825 6.921 -2.593 1.00 0.00 C ATOM 71 OE1 GLU A 6 -18.939 6.744 -1.392 1.00 0.00 O ATOM 72 OE2 GLU A 6 -19.766 7.094 -3.350 1.00 0.00 O ATOM 0 H GLU A 6 -15.327 4.441 -0.915 1.00 0.00 H new ATOM 0 HA GLU A 6 -17.898 4.511 -2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.531 6.484 -1.264 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.442 6.262 -2.619 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.061 7.949 -3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.438 6.496 -4.187 1.00 0.00 H new ATOM 79 N LYS A 7 -15.409 3.661 -4.048 1.00 0.00 N ATOM 80 CA LYS A 7 -15.093 3.155 -5.381 1.00 0.00 C ATOM 81 C LYS A 7 -16.018 1.999 -5.758 1.00 0.00 C ATOM 82 O LYS A 7 -16.675 2.037 -6.798 1.00 0.00 O ATOM 83 CB LYS A 7 -13.636 2.683 -5.420 1.00 0.00 C ATOM 84 CG LYS A 7 -13.235 2.314 -6.855 1.00 0.00 C ATOM 85 CD LYS A 7 -12.883 3.581 -7.641 1.00 0.00 C ATOM 86 CE LYS A 7 -12.275 3.193 -8.989 1.00 0.00 C ATOM 87 NZ LYS A 7 -11.156 2.233 -8.771 1.00 0.00 N ATOM 0 H LYS A 7 -14.634 3.634 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 7 -15.238 3.961 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.982 3.469 -5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.508 1.820 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.382 1.636 -6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.053 1.787 -7.346 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.776 4.187 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.178 4.189 -7.074 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.036 2.743 -9.627 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.911 4.081 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.464 2.325 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.692 2.441 -7.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.529 1.262 -8.755 1.00 0.00 H new ATOM 101 N LEU A 8 -16.071 0.978 -4.908 1.00 0.00 N ATOM 102 CA LEU A 8 -16.929 -0.173 -5.174 1.00 0.00 C ATOM 103 C LEU A 8 -18.297 0.016 -4.526 1.00 0.00 C ATOM 104 O LEU A 8 -19.315 -0.423 -5.063 1.00 0.00 O ATOM 105 CB LEU A 8 -16.274 -1.454 -4.650 1.00 0.00 C ATOM 106 CG LEU A 8 -14.893 -1.629 -5.290 1.00 0.00 C ATOM 107 CD1 LEU A 8 -14.289 -2.964 -4.851 1.00 0.00 C ATOM 108 CD2 LEU A 8 -15.025 -1.617 -6.815 1.00 0.00 C ATOM 0 H LEU A 8 -15.538 0.923 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.064 -0.259 -6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.179 -1.407 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.903 -2.315 -4.878 1.00 0.00 H new ATOM 0 HG LEU A 8 -14.247 -0.811 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.307 -3.087 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.189 -2.979 -3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.940 -3.779 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -14.041 -1.742 -7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.675 -2.433 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.454 -0.667 -7.136 1.00 0.00 H new ATOM 120 N GLY A 9 -18.312 0.671 -3.370 1.00 0.00 N ATOM 121 CA GLY A 9 -19.561 0.914 -2.658 1.00 0.00 C ATOM 122 C GLY A 9 -19.869 -0.222 -1.686 1.00 0.00 C ATOM 123 O GLY A 9 -20.953 -0.274 -1.106 1.00 0.00 O ATOM 0 H GLY A 9 -17.480 1.041 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -19.495 1.856 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -20.377 1.016 -3.373 1.00 0.00 H new ATOM 127 N GLY A 10 -18.912 -1.130 -1.513 1.00 0.00 N ATOM 128 CA GLY A 10 -19.102 -2.258 -0.607 1.00 0.00 C ATOM 129 C GLY A 10 -17.773 -2.713 -0.009 1.00 0.00 C ATOM 130 O GLY A 10 -16.933 -3.283 -0.702 1.00 0.00 O ATOM 0 H GLY A 10 -18.007 -1.108 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -19.786 -1.975 0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -19.565 -3.086 -1.144 1.00 0.00 H new ATOM 134 N ALA A 11 -17.596 -2.457 1.284 1.00 0.00 N ATOM 135 CA ALA A 11 -16.369 -2.847 1.969 1.00 0.00 C ATOM 136 C ALA A 11 -16.236 -4.366 2.018 1.00 0.00 C ATOM 137 O ALA A 11 -15.138 -4.907 1.887 1.00 0.00 O ATOM 138 CB ALA A 11 -16.366 -2.291 3.395 1.00 0.00 C ATOM 0 H ALA A 11 -18.281 -1.985 1.874 1.00 0.00 H new ATOM 0 HA ALA A 11 -15.525 -2.437 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.446 -2.587 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -16.427 -1.203 3.362 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -17.222 -2.686 3.941 1.00 0.00 H new ATOM 144 N ALA A 12 -17.360 -5.047 2.211 1.00 0.00 N ATOM 145 CA ALA A 12 -17.353 -6.504 2.280 1.00 0.00 C ATOM 146 C ALA A 12 -16.911 -7.107 0.951 1.00 0.00 C ATOM 147 O ALA A 12 -16.128 -8.055 0.921 1.00 0.00 O ATOM 148 CB ALA A 12 -18.752 -7.015 2.634 1.00 0.00 C ATOM 0 H ALA A 12 -18.279 -4.619 2.322 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.646 -6.807 3.053 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -18.740 -8.104 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.053 -6.611 3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -19.460 -6.695 1.870 1.00 0.00 H new ATOM 154 N ALA A 13 -17.416 -6.552 -0.147 1.00 0.00 N ATOM 155 CA ALA A 13 -17.061 -7.048 -1.472 1.00 0.00 C ATOM 156 C ALA A 13 -15.575 -6.838 -1.743 1.00 0.00 C ATOM 157 O ALA A 13 -14.932 -7.650 -2.408 1.00 0.00 O ATOM 158 CB ALA A 13 -17.885 -6.326 -2.540 1.00 0.00 C ATOM 0 H ALA A 13 -18.066 -5.766 -0.146 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.277 -8.116 -1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.613 -6.703 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.946 -6.504 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.684 -5.256 -2.493 1.00 0.00 H new ATOM 164 N VAL A 14 -15.038 -5.740 -1.222 1.00 0.00 N ATOM 165 CA VAL A 14 -13.627 -5.427 -1.413 1.00 0.00 C ATOM 166 C VAL A 14 -12.749 -6.512 -0.796 1.00 0.00 C ATOM 167 O VAL A 14 -11.732 -6.902 -1.369 1.00 0.00 O ATOM 168 CB VAL A 14 -13.302 -4.078 -0.767 1.00 0.00 C ATOM 169 CG1 VAL A 14 -11.812 -3.774 -0.934 1.00 0.00 C ATOM 170 CG2 VAL A 14 -14.125 -2.977 -1.439 1.00 0.00 C ATOM 0 H VAL A 14 -15.554 -5.056 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.426 -5.377 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.547 -4.118 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.583 -2.813 -0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.225 -4.556 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.565 -3.736 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -13.893 -2.017 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.882 -2.938 -2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -15.187 -3.191 -1.317 1.00 0.00 H new ATOM 180 N ASP A 15 -13.146 -6.986 0.380 1.00 0.00 N ATOM 181 CA ASP A 15 -12.385 -8.019 1.074 1.00 0.00 C ATOM 182 C ASP A 15 -12.246 -9.273 0.215 1.00 0.00 C ATOM 183 O ASP A 15 -11.189 -9.902 0.192 1.00 0.00 O ATOM 184 CB ASP A 15 -13.075 -8.379 2.391 1.00 0.00 C ATOM 185 CG ASP A 15 -12.184 -9.305 3.210 1.00 0.00 C ATOM 186 OD1 ASP A 15 -11.310 -8.801 3.896 1.00 0.00 O ATOM 187 OD2 ASP A 15 -12.385 -10.506 3.137 1.00 0.00 O ATOM 0 H ASP A 15 -13.984 -6.674 0.870 1.00 0.00 H new ATOM 0 HA ASP A 15 -11.389 -7.625 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.290 -7.473 2.958 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.030 -8.864 2.190 1.00 0.00 H new ATOM 192 N LEU A 16 -13.316 -9.637 -0.486 1.00 0.00 N ATOM 193 CA LEU A 16 -13.287 -10.826 -1.333 1.00 0.00 C ATOM 194 C LEU A 16 -12.170 -10.727 -2.366 1.00 0.00 C ATOM 195 O LEU A 16 -11.448 -11.694 -2.605 1.00 0.00 O ATOM 196 CB LEU A 16 -14.630 -11.001 -2.047 1.00 0.00 C ATOM 197 CG LEU A 16 -15.593 -11.796 -1.157 1.00 0.00 C ATOM 198 CD1 LEU A 16 -15.141 -13.257 -1.082 1.00 0.00 C ATOM 199 CD2 LEU A 16 -15.608 -11.196 0.251 1.00 0.00 C ATOM 0 H LEU A 16 -14.203 -9.134 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 16 -13.101 -11.691 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -15.058 -10.026 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -14.484 -11.520 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 16 -16.595 -11.748 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.828 -13.818 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.136 -13.688 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.137 -13.306 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.293 -11.763 0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.605 -11.239 0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.936 -10.158 0.201 1.00 0.00 H new ATOM 211 N ALA A 17 -12.026 -9.554 -2.973 1.00 0.00 N ATOM 212 CA ALA A 17 -10.986 -9.351 -3.974 1.00 0.00 C ATOM 213 C ALA A 17 -9.603 -9.428 -3.333 1.00 0.00 C ATOM 214 O ALA A 17 -8.656 -9.937 -3.932 1.00 0.00 O ATOM 215 CB ALA A 17 -11.165 -7.990 -4.648 1.00 0.00 C ATOM 0 H ALA A 17 -12.610 -8.737 -2.792 1.00 0.00 H new ATOM 0 HA ALA A 17 -11.071 -10.138 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.383 -7.848 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.141 -7.949 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.099 -7.201 -3.899 1.00 0.00 H new ATOM 221 N VAL A 18 -9.497 -8.912 -2.113 1.00 0.00 N ATOM 222 CA VAL A 18 -8.227 -8.917 -1.395 1.00 0.00 C ATOM 223 C VAL A 18 -7.772 -10.344 -1.089 1.00 0.00 C ATOM 224 O VAL A 18 -6.589 -10.663 -1.206 1.00 0.00 O ATOM 225 CB VAL A 18 -8.365 -8.135 -0.089 1.00 0.00 C ATOM 226 CG1 VAL A 18 -7.085 -8.285 0.735 1.00 0.00 C ATOM 227 CG2 VAL A 18 -8.598 -6.656 -0.404 1.00 0.00 C ATOM 0 H VAL A 18 -10.271 -8.487 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.478 -8.444 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.210 -8.524 0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.184 -7.727 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.918 -9.339 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.239 -7.896 0.168 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.697 -6.097 0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.753 -6.268 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.510 -6.548 -0.990 1.00 0.00 H new ATOM 237 N GLU A 19 -8.714 -11.193 -0.688 1.00 0.00 N ATOM 238 CA GLU A 19 -8.384 -12.577 -0.360 1.00 0.00 C ATOM 239 C GLU A 19 -7.830 -13.310 -1.578 1.00 0.00 C ATOM 240 O GLU A 19 -6.902 -14.110 -1.459 1.00 0.00 O ATOM 241 CB GLU A 19 -9.627 -13.306 0.154 1.00 0.00 C ATOM 242 CG GLU A 19 -10.052 -12.708 1.497 1.00 0.00 C ATOM 243 CD GLU A 19 -11.246 -13.478 2.054 1.00 0.00 C ATOM 244 OE1 GLU A 19 -12.339 -13.283 1.549 1.00 0.00 O ATOM 245 OE2 GLU A 19 -11.048 -14.249 2.979 1.00 0.00 O ATOM 0 H GLU A 19 -9.700 -10.952 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.620 -12.567 0.417 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.438 -13.217 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -9.417 -14.369 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.222 -12.748 2.202 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.313 -11.657 1.371 1.00 0.00 H new ATOM 252 N LYS A 20 -8.399 -13.036 -2.746 1.00 0.00 N ATOM 253 CA LYS A 20 -7.940 -13.683 -3.971 1.00 0.00 C ATOM 254 C LYS A 20 -6.483 -13.330 -4.244 1.00 0.00 C ATOM 255 O LYS A 20 -5.688 -14.185 -4.635 1.00 0.00 O ATOM 256 CB LYS A 20 -8.807 -13.243 -5.152 1.00 0.00 C ATOM 257 CG LYS A 20 -10.238 -13.744 -4.948 1.00 0.00 C ATOM 258 CD LYS A 20 -11.079 -13.406 -6.181 1.00 0.00 C ATOM 259 CE LYS A 20 -12.536 -13.794 -5.926 1.00 0.00 C ATOM 260 NZ LYS A 20 -13.060 -14.555 -7.096 1.00 0.00 N ATOM 0 H LYS A 20 -9.169 -12.379 -2.872 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.024 -14.763 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.799 -12.156 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.401 -13.639 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.237 -14.821 -4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.673 -13.283 -4.061 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.008 -12.341 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.697 -13.938 -7.052 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.609 -14.399 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.138 -12.900 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.051 -14.819 -6.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.003 -13.963 -7.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.492 -15.415 -7.234 1.00 0.00 H new ATOM 274 N PHE A 21 -6.137 -12.064 -4.030 1.00 0.00 N ATOM 275 CA PHE A 21 -4.771 -11.606 -4.249 1.00 0.00 C ATOM 276 C PHE A 21 -3.813 -12.272 -3.268 1.00 0.00 C ATOM 277 O PHE A 21 -2.725 -12.706 -3.645 1.00 0.00 O ATOM 278 CB PHE A 21 -4.697 -10.087 -4.087 1.00 0.00 C ATOM 279 CG PHE A 21 -3.297 -9.616 -4.399 1.00 0.00 C ATOM 280 CD1 PHE A 21 -2.919 -9.374 -5.725 1.00 0.00 C ATOM 281 CD2 PHE A 21 -2.376 -9.424 -3.362 1.00 0.00 C ATOM 282 CE1 PHE A 21 -1.621 -8.938 -6.014 1.00 0.00 C ATOM 283 CE2 PHE A 21 -1.078 -8.989 -3.651 1.00 0.00 C ATOM 284 CZ PHE A 21 -0.700 -8.746 -4.977 1.00 0.00 C ATOM 0 H PHE A 21 -6.780 -11.341 -3.707 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.477 -11.879 -5.263 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.412 -9.604 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.969 -9.805 -3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.629 -9.524 -6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.668 -9.612 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.330 -8.750 -7.037 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.368 -8.841 -2.851 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.302 -8.410 -5.200 1.00 0.00 H new ATOM 294 N TYR A 22 -4.224 -12.344 -2.006 1.00 0.00 N ATOM 295 CA TYR A 22 -3.391 -12.953 -0.975 1.00 0.00 C ATOM 296 C TYR A 22 -3.056 -14.397 -1.332 1.00 0.00 C ATOM 297 O TYR A 22 -1.916 -14.835 -1.174 1.00 0.00 O ATOM 298 CB TYR A 22 -4.115 -12.914 0.371 1.00 0.00 C ATOM 299 CG TYR A 22 -3.206 -13.458 1.447 1.00 0.00 C ATOM 300 CD1 TYR A 22 -2.270 -12.619 2.063 1.00 0.00 C ATOM 301 CD2 TYR A 22 -3.299 -14.803 1.827 1.00 0.00 C ATOM 302 CE1 TYR A 22 -1.427 -13.124 3.061 1.00 0.00 C ATOM 303 CE2 TYR A 22 -2.457 -15.308 2.824 1.00 0.00 C ATOM 304 CZ TYR A 22 -1.520 -14.469 3.440 1.00 0.00 C ATOM 305 OH TYR A 22 -0.689 -14.967 4.423 1.00 0.00 O ATOM 0 H TYR A 22 -5.122 -11.991 -1.674 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.463 -12.386 -0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.407 -11.891 0.609 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.030 -13.504 0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.198 -11.582 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -4.020 -15.450 1.351 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -0.706 -12.477 3.538 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.530 -16.345 3.118 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.709 -14.372 5.201 1.00 0.00 H new ATOM 315 N GLY A 23 -4.052 -15.133 -1.813 1.00 0.00 N ATOM 316 CA GLY A 23 -3.839 -16.527 -2.186 1.00 0.00 C ATOM 317 C GLY A 23 -2.773 -16.642 -3.268 1.00 0.00 C ATOM 318 O GLY A 23 -1.887 -17.494 -3.194 1.00 0.00 O ATOM 0 H GLY A 23 -5.004 -14.793 -1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.537 -17.100 -1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.774 -16.959 -2.543 1.00 0.00 H new ATOM 322 N LYS A 24 -2.862 -15.775 -4.272 1.00 0.00 N ATOM 323 CA LYS A 24 -1.896 -15.783 -5.364 1.00 0.00 C ATOM 324 C LYS A 24 -0.494 -15.485 -4.840 1.00 0.00 C ATOM 325 O LYS A 24 0.489 -16.073 -5.292 1.00 0.00 O ATOM 326 CB LYS A 24 -2.285 -14.739 -6.412 1.00 0.00 C ATOM 327 CG LYS A 24 -1.369 -14.870 -7.629 1.00 0.00 C ATOM 328 CD LYS A 24 -1.729 -13.794 -8.657 1.00 0.00 C ATOM 329 CE LYS A 24 -0.948 -14.040 -9.949 1.00 0.00 C ATOM 330 NZ LYS A 24 -1.904 -14.259 -11.071 1.00 0.00 N ATOM 0 H LYS A 24 -3.588 -15.063 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.898 -16.773 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.324 -14.877 -6.710 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.205 -13.737 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.327 -14.765 -7.326 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.474 -15.861 -8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.800 -13.812 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.496 -12.806 -8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.305 -13.187 -10.166 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.299 -14.908 -9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.381 -14.308 -11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.418 -15.151 -10.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.582 -13.471 -11.108 1.00 0.00 H new ATOM 344 N VAL A 25 -0.412 -14.565 -3.883 1.00 0.00 N ATOM 345 CA VAL A 25 0.871 -14.192 -3.301 1.00 0.00 C ATOM 346 C VAL A 25 1.533 -15.395 -2.641 1.00 0.00 C ATOM 347 O VAL A 25 2.745 -15.583 -2.744 1.00 0.00 O ATOM 348 CB VAL A 25 0.668 -13.087 -2.263 1.00 0.00 C ATOM 349 CG1 VAL A 25 1.980 -12.841 -1.515 1.00 0.00 C ATOM 350 CG2 VAL A 25 0.237 -11.799 -2.968 1.00 0.00 C ATOM 0 H VAL A 25 -1.214 -14.067 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 25 1.519 -13.830 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.103 -13.392 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.835 -12.054 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.290 -13.758 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.751 -12.536 -2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.092 -11.011 -2.229 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.009 -11.496 -3.675 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.697 -11.972 -3.502 1.00 0.00 H new ATOM 360 N LEU A 26 0.730 -16.206 -1.963 1.00 0.00 N ATOM 361 CA LEU A 26 1.249 -17.389 -1.287 1.00 0.00 C ATOM 362 C LEU A 26 1.919 -18.324 -2.289 1.00 0.00 C ATOM 363 O LEU A 26 2.914 -18.978 -1.973 1.00 0.00 O ATOM 364 CB LEU A 26 0.109 -18.127 -0.581 1.00 0.00 C ATOM 365 CG LEU A 26 0.473 -18.355 0.888 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.802 -19.109 0.979 1.00 0.00 C ATOM 367 CD2 LEU A 26 0.604 -17.003 1.593 1.00 0.00 C ATOM 0 H LEU A 26 -0.276 -16.068 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 26 1.988 -17.072 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.811 -17.547 -0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.078 -19.082 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.308 -18.944 1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.058 -19.270 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.709 -20.072 0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.586 -18.523 0.499 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.863 -17.162 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.385 -16.415 1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.343 -16.467 1.531 1.00 0.00 H new ATOM 379 N ALA A 27 1.366 -18.384 -3.495 1.00 0.00 N ATOM 380 CA ALA A 27 1.917 -19.246 -4.534 1.00 0.00 C ATOM 381 C ALA A 27 3.344 -18.831 -4.883 1.00 0.00 C ATOM 382 O ALA A 27 4.195 -19.678 -5.155 1.00 0.00 O ATOM 383 CB ALA A 27 1.043 -19.172 -5.788 1.00 0.00 C ATOM 0 H ALA A 27 0.543 -17.851 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 27 1.933 -20.269 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.460 -19.818 -6.561 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.032 -19.500 -5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.014 -18.145 -6.151 1.00 0.00 H new ATOM 389 N ASP A 28 3.601 -17.527 -4.872 1.00 0.00 N ATOM 390 CA ASP A 28 4.933 -17.022 -5.191 1.00 0.00 C ATOM 391 C ASP A 28 5.829 -17.039 -3.954 1.00 0.00 C ATOM 392 O ASP A 28 5.705 -16.192 -3.071 1.00 0.00 O ATOM 393 CB ASP A 28 4.831 -15.596 -5.735 1.00 0.00 C ATOM 394 CG ASP A 28 6.211 -15.093 -6.144 1.00 0.00 C ATOM 395 OD1 ASP A 28 7.143 -15.880 -6.102 1.00 0.00 O ATOM 396 OD2 ASP A 28 6.317 -13.929 -6.494 1.00 0.00 O ATOM 0 H ASP A 28 2.914 -16.807 -4.648 1.00 0.00 H new ATOM 0 HA ASP A 28 5.375 -17.670 -5.948 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.158 -15.572 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.405 -14.939 -4.977 1.00 0.00 H new ATOM 401 N GLU A 29 6.730 -18.013 -3.904 1.00 0.00 N ATOM 402 CA GLU A 29 7.648 -18.143 -2.776 1.00 0.00 C ATOM 403 C GLU A 29 8.721 -17.056 -2.806 1.00 0.00 C ATOM 404 O GLU A 29 9.252 -16.670 -1.765 1.00 0.00 O ATOM 405 CB GLU A 29 8.316 -19.518 -2.805 1.00 0.00 C ATOM 406 CG GLU A 29 9.161 -19.703 -1.544 1.00 0.00 C ATOM 407 CD GLU A 29 9.909 -21.031 -1.605 1.00 0.00 C ATOM 408 OE1 GLU A 29 9.768 -21.721 -2.602 1.00 0.00 O ATOM 409 OE2 GLU A 29 10.610 -21.338 -0.655 1.00 0.00 O ATOM 0 H GLU A 29 6.845 -18.722 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 29 7.070 -18.031 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.559 -20.300 -2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.943 -19.611 -3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.870 -18.881 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.522 -19.677 -0.661 1.00 0.00 H new ATOM 416 N ARG A 30 9.054 -16.585 -4.005 1.00 0.00 N ATOM 417 CA ARG A 30 10.088 -15.564 -4.153 1.00 0.00 C ATOM 418 C ARG A 30 9.798 -14.345 -3.282 1.00 0.00 C ATOM 419 O ARG A 30 10.704 -13.796 -2.653 1.00 0.00 O ATOM 420 CB ARG A 30 10.182 -15.128 -5.617 1.00 0.00 C ATOM 421 CG ARG A 30 10.619 -16.314 -6.477 1.00 0.00 C ATOM 422 CD ARG A 30 10.824 -15.851 -7.920 1.00 0.00 C ATOM 423 NE ARG A 30 9.603 -15.238 -8.431 1.00 0.00 N ATOM 424 CZ ARG A 30 9.451 -14.987 -9.727 1.00 0.00 C ATOM 425 NH1 ARG A 30 10.402 -15.289 -10.568 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.349 -14.437 -10.160 1.00 0.00 N ATOM 0 H ARG A 30 8.628 -16.890 -4.880 1.00 0.00 H new ATOM 0 HA ARG A 30 11.034 -15.999 -3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.217 -14.754 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.895 -14.310 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.543 -16.739 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.865 -17.101 -6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 30 11.646 -15.136 -7.967 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.103 -16.699 -8.545 1.00 0.00 H new ATOM 0 HE ARG A 30 8.853 -14.998 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.264 -15.718 -10.231 1.00 0.00 H new ATOM 0 HH12 ARG A 30 10.284 -15.096 -11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.605 -14.200 -9.504 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.232 -14.244 -11.155 1.00 0.00 H new ATOM 440 N VAL A 31 8.539 -13.923 -3.242 1.00 0.00 N ATOM 441 CA VAL A 31 8.168 -12.764 -2.435 1.00 0.00 C ATOM 442 C VAL A 31 8.017 -13.153 -0.969 1.00 0.00 C ATOM 443 O VAL A 31 8.269 -12.348 -0.073 1.00 0.00 O ATOM 444 CB VAL A 31 6.860 -12.163 -2.949 1.00 0.00 C ATOM 445 CG1 VAL A 31 7.055 -11.665 -4.382 1.00 0.00 C ATOM 446 CG2 VAL A 31 5.768 -13.232 -2.930 1.00 0.00 C ATOM 0 H VAL A 31 7.768 -14.357 -3.750 1.00 0.00 H new ATOM 0 HA VAL A 31 8.962 -12.021 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 31 6.568 -11.330 -2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.122 -11.236 -4.748 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.835 -10.904 -4.400 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.347 -12.499 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.834 -12.805 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.062 -14.064 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.628 -13.591 -1.910 1.00 0.00 H new ATOM 456 N ASN A 32 7.602 -14.394 -0.733 1.00 0.00 N ATOM 457 CA ASN A 32 7.417 -14.886 0.628 1.00 0.00 C ATOM 458 C ASN A 32 8.705 -14.756 1.436 1.00 0.00 C ATOM 459 O ASN A 32 8.670 -14.561 2.651 1.00 0.00 O ATOM 460 CB ASN A 32 6.977 -16.351 0.597 1.00 0.00 C ATOM 461 CG ASN A 32 5.610 -16.471 -0.065 1.00 0.00 C ATOM 462 OD1 ASN A 32 4.891 -15.479 -0.191 1.00 0.00 O ATOM 463 ND2 ASN A 32 5.204 -17.633 -0.498 1.00 0.00 N ATOM 0 H ASN A 32 7.388 -15.074 -1.462 1.00 0.00 H new ATOM 0 HA ASN A 32 6.646 -14.282 1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.708 -16.947 0.051 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.935 -16.748 1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.290 -17.721 -0.942 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.801 -18.453 -0.393 1.00 0.00 H new ATOM 470 N ARG A 33 9.842 -14.877 0.756 1.00 0.00 N ATOM 471 CA ARG A 33 11.133 -14.783 1.428 1.00 0.00 C ATOM 472 C ARG A 33 11.245 -13.478 2.214 1.00 0.00 C ATOM 473 O ARG A 33 11.773 -13.458 3.326 1.00 0.00 O ATOM 474 CB ARG A 33 12.260 -14.850 0.395 1.00 0.00 C ATOM 475 CG ARG A 33 12.247 -16.219 -0.288 1.00 0.00 C ATOM 476 CD ARG A 33 13.438 -16.324 -1.242 1.00 0.00 C ATOM 477 NE ARG A 33 13.404 -15.236 -2.213 1.00 0.00 N ATOM 478 CZ ARG A 33 14.252 -15.199 -3.235 1.00 0.00 C ATOM 479 NH1 ARG A 33 15.134 -16.150 -3.386 1.00 0.00 N ATOM 480 NH2 ARG A 33 14.202 -14.214 -4.089 1.00 0.00 N ATOM 0 H ARG A 33 9.895 -15.039 -0.250 1.00 0.00 H new ATOM 0 HA ARG A 33 11.217 -15.618 2.123 1.00 0.00 H new ATOM 0 HB2 ARG A 33 12.135 -14.061 -0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.222 -14.683 0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.295 -17.011 0.460 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.315 -16.355 -0.836 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.370 -16.288 -0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 33 13.415 -17.283 -1.759 1.00 0.00 H new ATOM 0 HE ARG A 33 12.717 -14.490 -2.105 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.172 -16.921 -2.719 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.785 -16.122 -4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.512 -13.472 -3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.853 -14.186 -4.874 1.00 0.00 H new ATOM 494 N PHE A 34 10.748 -12.395 1.630 1.00 0.00 N ATOM 495 CA PHE A 34 10.800 -11.092 2.285 1.00 0.00 C ATOM 496 C PHE A 34 9.839 -11.031 3.471 1.00 0.00 C ATOM 497 O PHE A 34 10.073 -10.299 4.431 1.00 0.00 O ATOM 498 CB PHE A 34 10.449 -9.988 1.285 1.00 0.00 C ATOM 499 CG PHE A 34 11.548 -9.879 0.255 1.00 0.00 C ATOM 500 CD1 PHE A 34 12.677 -9.095 0.517 1.00 0.00 C ATOM 501 CD2 PHE A 34 11.437 -10.563 -0.961 1.00 0.00 C ATOM 502 CE1 PHE A 34 13.695 -8.994 -0.438 1.00 0.00 C ATOM 503 CE2 PHE A 34 12.456 -10.463 -1.916 1.00 0.00 C ATOM 504 CZ PHE A 34 13.585 -9.679 -1.654 1.00 0.00 C ATOM 0 H PHE A 34 10.307 -12.391 0.710 1.00 0.00 H new ATOM 0 HA PHE A 34 11.814 -10.943 2.655 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.500 -10.211 0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.326 -9.037 1.804 1.00 0.00 H new ATOM 0 HD1 PHE A 34 12.763 -8.568 1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.565 -11.168 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 34 14.566 -8.387 -0.237 1.00 0.00 H new ATOM 0 HE2 PHE A 34 12.371 -10.991 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 34 14.372 -9.602 -2.390 1.00 0.00 H new ATOM 514 N PHE A 35 8.752 -11.792 3.390 1.00 0.00 N ATOM 515 CA PHE A 35 7.759 -11.800 4.460 1.00 0.00 C ATOM 516 C PHE A 35 8.099 -12.832 5.531 1.00 0.00 C ATOM 517 O PHE A 35 7.322 -13.047 6.459 1.00 0.00 O ATOM 518 CB PHE A 35 6.373 -12.098 3.887 1.00 0.00 C ATOM 519 CG PHE A 35 5.943 -10.963 2.989 1.00 0.00 C ATOM 520 CD1 PHE A 35 5.478 -9.767 3.550 1.00 0.00 C ATOM 521 CD2 PHE A 35 6.013 -11.103 1.599 1.00 0.00 C ATOM 522 CE1 PHE A 35 5.081 -8.712 2.720 1.00 0.00 C ATOM 523 CE2 PHE A 35 5.618 -10.047 0.768 1.00 0.00 C ATOM 524 CZ PHE A 35 5.152 -8.852 1.329 1.00 0.00 C ATOM 0 H PHE A 35 8.537 -12.405 2.604 1.00 0.00 H new ATOM 0 HA PHE A 35 7.763 -10.813 4.923 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.393 -13.032 3.325 1.00 0.00 H new ATOM 0 HB3 PHE A 35 5.654 -12.228 4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.426 -9.659 4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.372 -12.025 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.720 -7.791 3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.673 -10.155 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.847 -8.038 0.688 1.00 0.00 H new ATOM 534 N VAL A 36 9.258 -13.467 5.405 1.00 0.00 N ATOM 535 CA VAL A 36 9.666 -14.469 6.385 1.00 0.00 C ATOM 536 C VAL A 36 9.714 -13.857 7.782 1.00 0.00 C ATOM 537 O VAL A 36 9.233 -14.452 8.747 1.00 0.00 O ATOM 538 CB VAL A 36 11.043 -15.028 6.025 1.00 0.00 C ATOM 539 CG1 VAL A 36 11.577 -15.859 7.194 1.00 0.00 C ATOM 540 CG2 VAL A 36 10.922 -15.916 4.786 1.00 0.00 C ATOM 0 H VAL A 36 9.923 -13.311 4.648 1.00 0.00 H new ATOM 0 HA VAL A 36 8.935 -15.278 6.375 1.00 0.00 H new ATOM 0 HB VAL A 36 11.728 -14.205 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 36 12.559 -16.258 6.938 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.661 -15.229 8.080 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.892 -16.682 7.398 1.00 0.00 H new ATOM 0 HG21 VAL A 36 11.903 -16.316 4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.238 -16.739 4.994 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.539 -15.327 3.952 1.00 0.00 H new ATOM 550 N ASN A 37 10.289 -12.664 7.880 1.00 0.00 N ATOM 551 CA ASN A 37 10.389 -11.976 9.162 1.00 0.00 C ATOM 552 C ASN A 37 9.001 -11.701 9.731 1.00 0.00 C ATOM 553 O ASN A 37 8.797 -11.729 10.945 1.00 0.00 O ATOM 554 CB ASN A 37 11.142 -10.656 8.989 1.00 0.00 C ATOM 555 CG ASN A 37 12.578 -10.929 8.554 1.00 0.00 C ATOM 556 OD1 ASN A 37 13.071 -12.047 8.703 1.00 0.00 O ATOM 557 ND2 ASN A 37 13.282 -9.969 8.022 1.00 0.00 N ATOM 0 H ASN A 37 10.691 -12.155 7.092 1.00 0.00 H new ATOM 0 HA ASN A 37 10.934 -12.616 9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.640 -10.036 8.247 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.137 -10.099 9.926 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.243 -10.144 7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.872 -9.043 7.899 1.00 0.00 H new ATOM 564 N THR A 38 8.049 -11.429 8.842 1.00 0.00 N ATOM 565 CA THR A 38 6.682 -11.143 9.260 1.00 0.00 C ATOM 566 C THR A 38 5.826 -12.406 9.213 1.00 0.00 C ATOM 567 O THR A 38 5.968 -13.230 8.311 1.00 0.00 O ATOM 568 CB THR A 38 6.073 -10.079 8.343 1.00 0.00 C ATOM 569 OG1 THR A 38 6.901 -8.924 8.347 1.00 0.00 O ATOM 570 CG2 THR A 38 4.678 -9.711 8.843 1.00 0.00 C ATOM 0 H THR A 38 8.199 -11.401 7.833 1.00 0.00 H new ATOM 0 HA THR A 38 6.705 -10.775 10.286 1.00 0.00 H new ATOM 0 HB THR A 38 6.000 -10.471 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.514 -8.242 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.245 -8.953 8.190 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.044 -10.598 8.839 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.747 -9.318 9.858 1.00 0.00 H new ATOM 578 N ASP A 39 4.939 -12.553 10.193 1.00 0.00 N ATOM 579 CA ASP A 39 4.069 -13.722 10.247 1.00 0.00 C ATOM 580 C ASP A 39 2.992 -13.639 9.168 1.00 0.00 C ATOM 581 O ASP A 39 2.734 -12.571 8.615 1.00 0.00 O ATOM 582 CB ASP A 39 3.413 -13.824 11.626 1.00 0.00 C ATOM 583 CG ASP A 39 2.498 -12.628 11.860 1.00 0.00 C ATOM 584 OD1 ASP A 39 2.202 -11.937 10.901 1.00 0.00 O ATOM 585 OD2 ASP A 39 2.107 -12.422 12.998 1.00 0.00 O ATOM 0 H ASP A 39 4.805 -11.885 10.952 1.00 0.00 H new ATOM 0 HA ASP A 39 4.674 -14.611 10.070 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.841 -14.749 11.698 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.179 -13.862 12.400 1.00 0.00 H new ATOM 590 N MET A 40 2.373 -14.778 8.872 1.00 0.00 N ATOM 591 CA MET A 40 1.331 -14.831 7.853 1.00 0.00 C ATOM 592 C MET A 40 0.150 -13.934 8.218 1.00 0.00 C ATOM 593 O MET A 40 -0.484 -13.346 7.342 1.00 0.00 O ATOM 594 CB MET A 40 0.843 -16.271 7.681 1.00 0.00 C ATOM 595 CG MET A 40 1.968 -17.126 7.096 1.00 0.00 C ATOM 596 SD MET A 40 1.349 -18.795 6.768 1.00 0.00 S ATOM 597 CE MET A 40 2.914 -19.511 6.208 1.00 0.00 C ATOM 0 H MET A 40 2.574 -15.672 9.321 1.00 0.00 H new ATOM 0 HA MET A 40 1.759 -14.471 6.917 1.00 0.00 H new ATOM 0 HB2 MET A 40 0.527 -16.676 8.642 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.026 -16.295 7.023 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.339 -16.677 6.175 1.00 0.00 H new ATOM 0 HG3 MET A 40 2.807 -17.168 7.791 1.00 0.00 H new ATOM 0 HE1 MET A 40 2.762 -20.559 5.948 1.00 0.00 H new ATOM 0 HE2 MET A 40 3.270 -18.968 5.333 1.00 0.00 H new ATOM 0 HE3 MET A 40 3.653 -19.439 7.006 1.00 0.00 H new ATOM 607 N ALA A 41 -0.150 -13.842 9.509 1.00 0.00 N ATOM 608 CA ALA A 41 -1.271 -13.023 9.962 1.00 0.00 C ATOM 609 C ALA A 41 -1.077 -11.563 9.563 1.00 0.00 C ATOM 610 O ALA A 41 -1.920 -10.981 8.881 1.00 0.00 O ATOM 611 CB ALA A 41 -1.407 -13.122 11.483 1.00 0.00 C ATOM 0 H ALA A 41 0.360 -14.318 10.253 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.178 -13.396 9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.245 -12.509 11.814 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.583 -14.160 11.766 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.490 -12.768 11.954 1.00 0.00 H new ATOM 617 N LYS A 42 0.036 -10.977 9.990 1.00 0.00 N ATOM 618 CA LYS A 42 0.324 -9.584 9.666 1.00 0.00 C ATOM 619 C LYS A 42 0.453 -9.397 8.157 1.00 0.00 C ATOM 620 O LYS A 42 0.094 -8.350 7.619 1.00 0.00 O ATOM 621 CB LYS A 42 1.618 -9.142 10.350 1.00 0.00 C ATOM 622 CG LYS A 42 1.433 -9.173 11.868 1.00 0.00 C ATOM 623 CD LYS A 42 2.688 -8.624 12.548 1.00 0.00 C ATOM 624 CE LYS A 42 2.552 -8.768 14.065 1.00 0.00 C ATOM 625 NZ LYS A 42 1.375 -7.984 14.535 1.00 0.00 N ATOM 0 H LYS A 42 0.748 -11.439 10.556 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.503 -8.972 10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.437 -9.800 10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.887 -8.136 10.027 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.564 -8.579 12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.243 -10.193 12.201 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.569 -9.163 12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.829 -7.576 12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.433 -9.818 14.332 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.458 -8.414 14.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.442 -7.840 15.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.359 -7.061 14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.501 -8.503 14.315 1.00 0.00 H new ATOM 639 N GLN A 43 0.976 -10.417 7.483 1.00 0.00 N ATOM 640 CA GLN A 43 1.155 -10.350 6.037 1.00 0.00 C ATOM 641 C GLN A 43 -0.160 -10.012 5.342 1.00 0.00 C ATOM 642 O GLN A 43 -0.183 -9.240 4.384 1.00 0.00 O ATOM 643 CB GLN A 43 1.678 -11.689 5.515 1.00 0.00 C ATOM 644 CG GLN A 43 2.047 -11.552 4.037 1.00 0.00 C ATOM 645 CD GLN A 43 2.473 -12.905 3.477 1.00 0.00 C ATOM 646 OE1 GLN A 43 2.589 -13.926 4.283 1.00 0.00 O flip ATOM 647 NE2 GLN A 43 2.704 -13.038 2.276 1.00 0.00 N flip ATOM 0 H GLN A 43 1.281 -11.292 7.910 1.00 0.00 H new ATOM 0 HA GLN A 43 1.877 -9.564 5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.549 -12.000 6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.920 -12.462 5.641 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.195 -11.169 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.856 -10.830 3.921 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.613 -12.240 1.648 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.987 -13.947 1.909 1.00 0.00 H new ATOM 656 N LYS A 44 -1.252 -10.592 5.828 1.00 0.00 N ATOM 657 CA LYS A 44 -2.561 -10.337 5.236 1.00 0.00 C ATOM 658 C LYS A 44 -2.898 -8.851 5.300 1.00 0.00 C ATOM 659 O LYS A 44 -3.458 -8.291 4.359 1.00 0.00 O ATOM 660 CB LYS A 44 -3.634 -11.137 5.977 1.00 0.00 C ATOM 661 CG LYS A 44 -3.386 -12.633 5.776 1.00 0.00 C ATOM 662 CD LYS A 44 -4.525 -13.431 6.416 1.00 0.00 C ATOM 663 CE LYS A 44 -4.221 -14.926 6.313 1.00 0.00 C ATOM 664 NZ LYS A 44 -5.134 -15.682 7.217 1.00 0.00 N ATOM 0 H LYS A 44 -1.259 -11.234 6.620 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.533 -10.647 4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.615 -10.894 7.039 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.623 -10.869 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.321 -12.862 4.712 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.433 -12.917 6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.642 -13.144 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.467 -13.205 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.348 -15.264 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.183 -15.117 6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.928 -16.699 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.991 -15.366 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.121 -15.509 6.938 1.00 0.00 H new ATOM 678 N GLN A 45 -2.552 -8.218 6.416 1.00 0.00 N ATOM 679 CA GLN A 45 -2.822 -6.797 6.592 1.00 0.00 C ATOM 680 C GLN A 45 -2.081 -5.972 5.543 1.00 0.00 C ATOM 681 O GLN A 45 -2.622 -5.009 5.001 1.00 0.00 O ATOM 682 CB GLN A 45 -2.390 -6.353 7.990 1.00 0.00 C ATOM 683 CG GLN A 45 -2.846 -4.913 8.232 1.00 0.00 C ATOM 684 CD GLN A 45 -2.331 -4.423 9.581 1.00 0.00 C ATOM 685 OE1 GLN A 45 -1.717 -5.256 10.377 1.00 0.00 O flip ATOM 686 NE2 GLN A 45 -2.492 -3.250 9.919 1.00 0.00 N flip ATOM 0 H GLN A 45 -2.087 -8.664 7.207 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.893 -6.635 6.473 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.821 -7.013 8.742 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.307 -6.424 8.087 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.476 -4.267 7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -3.934 -4.858 8.207 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.972 -2.601 9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.145 -2.927 10.822 1.00 0.00 H new ATOM 695 N HIS A 46 -0.839 -6.356 5.265 1.00 0.00 N ATOM 696 CA HIS A 46 -0.032 -5.641 4.282 1.00 0.00 C ATOM 697 C HIS A 46 -0.685 -5.688 2.906 1.00 0.00 C ATOM 698 O HIS A 46 -0.766 -4.674 2.213 1.00 0.00 O ATOM 699 CB HIS A 46 1.367 -6.255 4.207 1.00 0.00 C ATOM 700 CG HIS A 46 2.211 -5.456 3.253 1.00 0.00 C ATOM 701 ND1 HIS A 46 2.497 -5.895 1.970 1.00 0.00 N ATOM 702 CD2 HIS A 46 2.837 -4.241 3.381 1.00 0.00 C ATOM 703 CE1 HIS A 46 3.263 -4.959 1.381 1.00 0.00 C ATOM 704 NE2 HIS A 46 3.501 -3.928 2.198 1.00 0.00 N ATOM 0 H HIS A 46 -0.373 -7.151 5.702 1.00 0.00 H new ATOM 0 HA HIS A 46 0.044 -4.600 4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.826 -6.265 5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 46 1.304 -7.291 3.875 1.00 0.00 H new ATOM 0 HD1 HIS A 46 2.184 -6.769 1.549 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.817 -3.622 4.266 1.00 0.00 H new ATOM 0 HE1 HIS A 46 3.640 -5.032 0.371 1.00 0.00 H new ATOM 712 N GLN A 47 -1.148 -6.870 2.515 1.00 0.00 N ATOM 713 CA GLN A 47 -1.789 -7.032 1.216 1.00 0.00 C ATOM 714 C GLN A 47 -3.033 -6.155 1.122 1.00 0.00 C ATOM 715 O GLN A 47 -3.324 -5.587 0.070 1.00 0.00 O ATOM 716 CB GLN A 47 -2.179 -8.499 0.996 1.00 0.00 C ATOM 717 CG GLN A 47 -1.025 -9.266 0.334 1.00 0.00 C ATOM 718 CD GLN A 47 0.117 -9.472 1.323 1.00 0.00 C ATOM 719 OE1 GLN A 47 0.327 -8.653 2.215 1.00 0.00 O ATOM 720 NE2 GLN A 47 0.875 -10.529 1.216 1.00 0.00 N ATOM 0 H GLN A 47 -1.092 -7.722 3.073 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.081 -6.728 0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.432 -8.962 1.950 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.069 -8.555 0.369 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.381 -10.231 -0.025 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.666 -8.715 -0.535 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.701 -11.209 0.476 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.642 -10.675 1.873 1.00 0.00 H new ATOM 729 N LYS A 48 -3.762 -6.045 2.227 1.00 0.00 N ATOM 730 CA LYS A 48 -4.969 -5.229 2.249 1.00 0.00 C ATOM 731 C LYS A 48 -4.633 -3.775 1.932 1.00 0.00 C ATOM 732 O LYS A 48 -5.284 -3.144 1.098 1.00 0.00 O ATOM 733 CB LYS A 48 -5.632 -5.313 3.624 1.00 0.00 C ATOM 734 CG LYS A 48 -6.971 -4.573 3.592 1.00 0.00 C ATOM 735 CD LYS A 48 -7.606 -4.607 4.984 1.00 0.00 C ATOM 736 CE LYS A 48 -9.011 -4.006 4.920 1.00 0.00 C ATOM 737 NZ LYS A 48 -8.912 -2.535 4.699 1.00 0.00 N ATOM 0 H LYS A 48 -3.541 -6.505 3.110 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.657 -5.607 1.492 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.787 -6.356 3.901 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.981 -4.875 4.381 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.821 -3.541 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.638 -5.037 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.654 -5.633 5.348 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.992 -4.047 5.689 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.580 -4.468 4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.548 -4.210 5.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.849 -2.101 4.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.247 -2.125 5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.571 -2.351 3.734 1.00 0.00 H new ATOM 751 N ASP A 49 -3.607 -3.252 2.596 1.00 0.00 N ATOM 752 CA ASP A 49 -3.186 -1.875 2.372 1.00 0.00 C ATOM 753 C ASP A 49 -2.637 -1.709 0.960 1.00 0.00 C ATOM 754 O ASP A 49 -2.901 -0.711 0.291 1.00 0.00 O ATOM 755 CB ASP A 49 -2.113 -1.484 3.389 1.00 0.00 C ATOM 756 CG ASP A 49 -2.707 -1.468 4.793 1.00 0.00 C ATOM 757 OD1 ASP A 49 -3.921 -1.503 4.902 1.00 0.00 O ATOM 758 OD2 ASP A 49 -1.937 -1.422 5.740 1.00 0.00 O ATOM 0 H ASP A 49 -3.055 -3.758 3.289 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.052 -1.225 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.283 -2.190 3.344 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.709 -0.501 3.145 1.00 0.00 H new ATOM 763 N PHE A 50 -1.871 -2.700 0.514 1.00 0.00 N ATOM 764 CA PHE A 50 -1.284 -2.663 -0.821 1.00 0.00 C ATOM 765 C PHE A 50 -2.373 -2.616 -1.887 1.00 0.00 C ATOM 766 O PHE A 50 -2.299 -1.827 -2.829 1.00 0.00 O ATOM 767 CB PHE A 50 -0.411 -3.902 -1.036 1.00 0.00 C ATOM 768 CG PHE A 50 0.272 -3.814 -2.379 1.00 0.00 C ATOM 769 CD1 PHE A 50 1.504 -3.159 -2.499 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.326 -4.390 -3.507 1.00 0.00 C ATOM 771 CE1 PHE A 50 2.136 -3.080 -3.745 1.00 0.00 C ATOM 772 CE2 PHE A 50 0.307 -4.311 -4.753 1.00 0.00 C ATOM 773 CZ PHE A 50 1.538 -3.655 -4.872 1.00 0.00 C ATOM 0 H PHE A 50 -1.643 -3.535 1.054 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.673 -1.764 -0.905 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.333 -3.977 -0.243 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.022 -4.803 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.966 -2.715 -1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.276 -4.895 -3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.086 -2.575 -3.837 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.154 -4.756 -5.622 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.026 -3.593 -5.833 1.00 0.00 H new ATOM 783 N MET A 51 -3.380 -3.468 -1.732 1.00 0.00 N ATOM 784 CA MET A 51 -4.478 -3.519 -2.688 1.00 0.00 C ATOM 785 C MET A 51 -5.211 -2.181 -2.741 1.00 0.00 C ATOM 786 O MET A 51 -5.608 -1.722 -3.812 1.00 0.00 O ATOM 787 CB MET A 51 -5.458 -4.625 -2.292 1.00 0.00 C ATOM 788 CG MET A 51 -6.456 -4.856 -3.428 1.00 0.00 C ATOM 789 SD MET A 51 -5.697 -5.905 -4.692 1.00 0.00 S ATOM 790 CE MET A 51 -7.039 -5.809 -5.901 1.00 0.00 C ATOM 0 H MET A 51 -3.458 -4.128 -0.959 1.00 0.00 H new ATOM 0 HA MET A 51 -4.067 -3.730 -3.675 1.00 0.00 H new ATOM 0 HB2 MET A 51 -4.916 -5.546 -2.078 1.00 0.00 H new ATOM 0 HB3 MET A 51 -5.987 -4.347 -1.380 1.00 0.00 H new ATOM 0 HG2 MET A 51 -7.360 -5.328 -3.042 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.756 -3.903 -3.863 1.00 0.00 H new ATOM 0 HE1 MET A 51 -6.779 -6.397 -6.781 1.00 0.00 H new ATOM 0 HE2 MET A 51 -7.955 -6.202 -5.460 1.00 0.00 H new ATOM 0 HE3 MET A 51 -7.193 -4.770 -6.192 1.00 0.00 H new ATOM 800 N THR A 52 -5.388 -1.562 -1.578 1.00 0.00 N ATOM 801 CA THR A 52 -6.076 -0.278 -1.503 1.00 0.00 C ATOM 802 C THR A 52 -5.322 0.787 -2.295 1.00 0.00 C ATOM 803 O THR A 52 -5.929 1.615 -2.975 1.00 0.00 O ATOM 804 CB THR A 52 -6.200 0.163 -0.043 1.00 0.00 C ATOM 805 OG1 THR A 52 -6.836 -0.862 0.707 1.00 0.00 O ATOM 806 CG2 THR A 52 -7.028 1.446 0.037 1.00 0.00 C ATOM 0 H THR A 52 -5.067 -1.925 -0.681 1.00 0.00 H new ATOM 0 HA THR A 52 -7.070 -0.397 -1.934 1.00 0.00 H new ATOM 0 HB THR A 52 -5.207 0.350 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.202 -1.592 0.866 1.00 0.00 H new ATOM 0 HG21 THR A 52 -7.115 1.758 1.078 1.00 0.00 H new ATOM 0 HG22 THR A 52 -6.538 2.232 -0.538 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.022 1.264 -0.372 1.00 0.00 H new ATOM 814 N TYR A 53 -3.997 0.760 -2.198 1.00 0.00 N ATOM 815 CA TYR A 53 -3.167 1.729 -2.905 1.00 0.00 C ATOM 816 C TYR A 53 -3.395 1.637 -4.411 1.00 0.00 C ATOM 817 O TYR A 53 -3.380 2.647 -5.114 1.00 0.00 O ATOM 818 CB TYR A 53 -1.690 1.479 -2.594 1.00 0.00 C ATOM 819 CG TYR A 53 -0.856 2.586 -3.191 1.00 0.00 C ATOM 820 CD1 TYR A 53 -0.663 3.777 -2.481 1.00 0.00 C ATOM 821 CD2 TYR A 53 -0.274 2.422 -4.454 1.00 0.00 C ATOM 822 CE1 TYR A 53 0.110 4.804 -3.033 1.00 0.00 C ATOM 823 CE2 TYR A 53 0.501 3.450 -5.006 1.00 0.00 C ATOM 824 CZ TYR A 53 0.693 4.641 -4.296 1.00 0.00 C ATOM 825 OH TYR A 53 1.456 5.653 -4.841 1.00 0.00 O ATOM 0 H TYR A 53 -3.477 0.082 -1.640 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.445 2.728 -2.569 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.537 1.435 -1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.380 0.516 -3.000 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.111 3.903 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.423 1.503 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.257 5.723 -2.485 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.951 3.324 -5.980 1.00 0.00 H new ATOM 0 HH TYR A 53 1.786 5.376 -5.721 1.00 0.00 H new ATOM 835 N ALA A 54 -3.601 0.418 -4.900 1.00 0.00 N ATOM 836 CA ALA A 54 -3.824 0.203 -6.325 1.00 0.00 C ATOM 837 C ALA A 54 -5.028 1.006 -6.809 1.00 0.00 C ATOM 838 O ALA A 54 -5.085 1.414 -7.969 1.00 0.00 O ATOM 839 CB ALA A 54 -4.057 -1.284 -6.599 1.00 0.00 C ATOM 0 H ALA A 54 -3.618 -0.431 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.939 0.538 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.223 -1.436 -7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.183 -1.854 -6.283 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.932 -1.624 -6.044 1.00 0.00 H new ATOM 845 N PHE A 55 -5.986 1.230 -5.916 1.00 0.00 N ATOM 846 CA PHE A 55 -7.180 1.988 -6.269 1.00 0.00 C ATOM 847 C PHE A 55 -6.968 3.479 -6.027 1.00 0.00 C ATOM 848 O PHE A 55 -7.904 4.272 -6.130 1.00 0.00 O ATOM 849 CB PHE A 55 -8.378 1.502 -5.452 1.00 0.00 C ATOM 850 CG PHE A 55 -8.761 0.110 -5.895 1.00 0.00 C ATOM 851 CD1 PHE A 55 -9.398 -0.079 -7.127 1.00 0.00 C ATOM 852 CD2 PHE A 55 -8.480 -0.991 -5.077 1.00 0.00 C ATOM 853 CE1 PHE A 55 -9.755 -1.368 -7.541 1.00 0.00 C ATOM 854 CE2 PHE A 55 -8.836 -2.280 -5.492 1.00 0.00 C ATOM 855 CZ PHE A 55 -9.474 -2.468 -6.724 1.00 0.00 C ATOM 0 H PHE A 55 -5.960 0.901 -4.951 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.378 1.830 -7.329 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.131 1.502 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.220 2.181 -5.583 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.614 0.770 -7.759 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.989 -0.846 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.247 -1.513 -8.491 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.618 -3.129 -4.862 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.749 -3.462 -7.043 1.00 0.00 H new ATOM 865 N GLY A 56 -5.735 3.854 -5.705 1.00 0.00 N ATOM 866 CA GLY A 56 -5.419 5.255 -5.452 1.00 0.00 C ATOM 867 C GLY A 56 -5.494 5.573 -3.964 1.00 0.00 C ATOM 868 O GLY A 56 -5.613 6.735 -3.577 1.00 0.00 O ATOM 0 H GLY A 56 -4.945 3.215 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.420 5.479 -5.825 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -6.114 5.892 -5.999 1.00 0.00 H new ATOM 872 N GLY A 57 -5.427 4.534 -3.135 1.00 0.00 N ATOM 873 CA GLY A 57 -5.488 4.715 -1.688 1.00 0.00 C ATOM 874 C GLY A 57 -4.434 5.712 -1.217 1.00 0.00 C ATOM 875 O GLY A 57 -3.403 5.328 -0.666 1.00 0.00 O ATOM 0 H GLY A 57 -5.331 3.565 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.480 5.067 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.335 3.757 -1.191 1.00 0.00 H new ATOM 879 N THR A 58 -4.702 6.993 -1.442 1.00 0.00 N ATOM 880 CA THR A 58 -3.774 8.046 -1.043 1.00 0.00 C ATOM 881 C THR A 58 -4.323 8.818 0.152 1.00 0.00 C ATOM 882 O THR A 58 -4.005 9.992 0.343 1.00 0.00 O ATOM 883 CB THR A 58 -3.539 9.006 -2.211 1.00 0.00 C ATOM 884 OG1 THR A 58 -4.750 9.687 -2.512 1.00 0.00 O ATOM 885 CG2 THR A 58 -3.077 8.217 -3.437 1.00 0.00 C ATOM 0 H THR A 58 -5.551 7.328 -1.897 1.00 0.00 H new ATOM 0 HA THR A 58 -2.829 7.584 -0.759 1.00 0.00 H new ATOM 0 HB THR A 58 -2.772 9.731 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.602 10.304 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.910 8.902 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.149 7.695 -3.205 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.843 7.492 -3.713 1.00 0.00 H new ATOM 893 N ASP A 59 -5.151 8.154 0.950 1.00 0.00 N ATOM 894 CA ASP A 59 -5.746 8.791 2.119 1.00 0.00 C ATOM 895 C ASP A 59 -4.668 9.424 2.997 1.00 0.00 C ATOM 896 O ASP A 59 -4.871 10.498 3.563 1.00 0.00 O ATOM 897 CB ASP A 59 -6.527 7.760 2.934 1.00 0.00 C ATOM 898 CG ASP A 59 -7.755 7.301 2.155 1.00 0.00 C ATOM 899 OD1 ASP A 59 -8.071 7.933 1.161 1.00 0.00 O ATOM 900 OD2 ASP A 59 -8.361 6.324 2.565 1.00 0.00 O ATOM 0 H ASP A 59 -5.424 7.181 0.811 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.423 9.573 1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.890 6.905 3.161 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.831 8.193 3.887 1.00 0.00 H new ATOM 905 N ARG A 60 -3.525 8.755 3.104 1.00 0.00 N ATOM 906 CA ARG A 60 -2.429 9.273 3.917 1.00 0.00 C ATOM 907 C ARG A 60 -1.147 8.484 3.667 1.00 0.00 C ATOM 908 O ARG A 60 -0.791 7.597 4.442 1.00 0.00 O ATOM 909 CB ARG A 60 -2.798 9.192 5.400 1.00 0.00 C ATOM 910 CG ARG A 60 -1.701 9.855 6.235 1.00 0.00 C ATOM 911 CD ARG A 60 -2.099 9.830 7.712 1.00 0.00 C ATOM 912 NE ARG A 60 -2.069 8.464 8.221 1.00 0.00 N ATOM 913 CZ ARG A 60 -1.947 8.217 9.521 1.00 0.00 C ATOM 914 NH1 ARG A 60 -1.852 9.208 10.367 1.00 0.00 N ATOM 915 NH2 ARG A 60 -1.923 6.986 9.952 1.00 0.00 N ATOM 0 H ARG A 60 -3.334 7.864 2.645 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.258 10.313 3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.753 9.687 5.576 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.919 8.151 5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.755 9.332 6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.549 10.883 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.419 10.456 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.098 10.249 7.834 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.143 7.684 7.568 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.872 10.170 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.758 9.019 11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.998 6.213 9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.829 6.797 10.950 1.00 0.00 H new ATOM 929 N PHE A 61 -0.456 8.815 2.580 1.00 0.00 N ATOM 930 CA PHE A 61 0.787 8.133 2.239 1.00 0.00 C ATOM 931 C PHE A 61 1.891 9.147 1.950 1.00 0.00 C ATOM 932 O PHE A 61 2.246 9.381 0.796 1.00 0.00 O ATOM 933 CB PHE A 61 0.576 7.242 1.014 1.00 0.00 C ATOM 934 CG PHE A 61 -0.314 6.080 1.387 1.00 0.00 C ATOM 935 CD1 PHE A 61 -1.692 6.273 1.533 1.00 0.00 C ATOM 936 CD2 PHE A 61 0.240 4.810 1.585 1.00 0.00 C ATOM 937 CE1 PHE A 61 -2.518 5.197 1.878 1.00 0.00 C ATOM 938 CE2 PHE A 61 -0.585 3.733 1.930 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.964 3.927 2.077 1.00 0.00 C ATOM 0 H PHE A 61 -0.733 9.546 1.925 1.00 0.00 H new ATOM 0 HA PHE A 61 1.087 7.517 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.123 7.817 0.206 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.535 6.877 0.647 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.119 7.253 1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.304 4.661 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.582 5.346 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.158 2.753 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.600 3.096 2.344 1.00 0.00 H new ATOM 949 N PRO A 62 2.431 9.746 2.977 1.00 0.00 N ATOM 950 CA PRO A 62 3.518 10.760 2.839 1.00 0.00 C ATOM 951 C PRO A 62 4.712 10.219 2.054 1.00 0.00 C ATOM 952 O PRO A 62 5.355 10.952 1.304 1.00 0.00 O ATOM 953 CB PRO A 62 3.917 11.078 4.285 1.00 0.00 C ATOM 954 CG PRO A 62 2.756 10.659 5.127 1.00 0.00 C ATOM 955 CD PRO A 62 2.062 9.522 4.381 1.00 0.00 C ATOM 0 HA PRO A 62 3.185 11.637 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.821 10.539 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.127 12.140 4.409 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.090 10.329 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.072 11.493 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.401 8.548 4.733 1.00 0.00 H new ATOM 0 HD3 PRO A 62 0.981 9.553 4.520 1.00 0.00 H new ATOM 963 N GLY A 63 4.996 8.933 2.230 1.00 0.00 N ATOM 964 CA GLY A 63 6.109 8.305 1.529 1.00 0.00 C ATOM 965 C GLY A 63 7.417 8.496 2.290 1.00 0.00 C ATOM 966 O GLY A 63 8.488 8.145 1.796 1.00 0.00 O ATOM 0 H GLY A 63 4.475 8.310 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.910 7.241 1.404 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.200 8.732 0.530 1.00 0.00 H new ATOM 970 N ARG A 64 7.325 9.054 3.492 1.00 0.00 N ATOM 971 CA ARG A 64 8.514 9.285 4.308 1.00 0.00 C ATOM 972 C ARG A 64 8.694 8.166 5.329 1.00 0.00 C ATOM 973 O ARG A 64 9.630 7.371 5.237 1.00 0.00 O ATOM 974 CB ARG A 64 8.395 10.626 5.037 1.00 0.00 C ATOM 975 CG ARG A 64 8.413 11.774 4.024 1.00 0.00 C ATOM 976 CD ARG A 64 9.861 12.157 3.700 1.00 0.00 C ATOM 977 NE ARG A 64 10.550 12.587 4.911 1.00 0.00 N ATOM 978 CZ ARG A 64 10.503 13.853 5.316 1.00 0.00 C ATOM 979 NH1 ARG A 64 9.835 14.734 4.623 1.00 0.00 N ATOM 980 NH2 ARG A 64 11.125 14.213 6.405 1.00 0.00 N ATOM 0 H ARG A 64 6.449 9.353 3.921 1.00 0.00 H new ATOM 0 HA ARG A 64 9.382 9.303 3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 64 7.472 10.655 5.615 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.217 10.740 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 64 7.893 11.476 3.113 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.881 12.635 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.380 11.306 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.877 12.957 2.960 1.00 0.00 H new ATOM 0 HE ARG A 64 11.077 11.905 5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.349 14.452 3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.798 15.705 4.933 1.00 0.00 H new ATOM 0 HH21 ARG A 64 11.647 13.524 6.946 1.00 0.00 H new ATOM 0 HH22 ARG A 64 11.089 15.184 6.716 1.00 0.00 H new ATOM 994 N SER A 65 7.793 8.114 6.304 1.00 0.00 N ATOM 995 CA SER A 65 7.859 7.093 7.344 1.00 0.00 C ATOM 996 C SER A 65 7.800 5.694 6.737 1.00 0.00 C ATOM 997 O SER A 65 8.401 4.755 7.262 1.00 0.00 O ATOM 998 CB SER A 65 6.700 7.273 8.324 1.00 0.00 C ATOM 999 OG SER A 65 6.720 8.600 8.835 1.00 0.00 O ATOM 0 H SER A 65 7.012 8.763 6.396 1.00 0.00 H new ATOM 0 HA SER A 65 8.806 7.204 7.872 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.752 7.078 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.784 6.555 9.140 1.00 0.00 H new ATOM 0 HG SER A 65 5.977 8.720 9.463 1.00 0.00 H new ATOM 1005 N MET A 66 7.067 5.559 5.637 1.00 0.00 N ATOM 1006 CA MET A 66 6.931 4.266 4.977 1.00 0.00 C ATOM 1007 C MET A 66 8.300 3.701 4.604 1.00 0.00 C ATOM 1008 O MET A 66 8.522 2.492 4.679 1.00 0.00 O ATOM 1009 CB MET A 66 6.077 4.413 3.716 1.00 0.00 C ATOM 1010 CG MET A 66 4.669 4.872 4.099 1.00 0.00 C ATOM 1011 SD MET A 66 3.879 3.610 5.129 1.00 0.00 S ATOM 1012 CE MET A 66 3.323 4.712 6.452 1.00 0.00 C ATOM 0 H MET A 66 6.562 6.322 5.187 1.00 0.00 H new ATOM 0 HA MET A 66 6.446 3.577 5.669 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.533 5.134 3.038 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.028 3.462 3.185 1.00 0.00 H new ATOM 0 HG2 MET A 66 4.718 5.818 4.638 1.00 0.00 H new ATOM 0 HG3 MET A 66 4.076 5.047 3.201 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.799 4.132 7.212 1.00 0.00 H new ATOM 0 HE2 MET A 66 4.185 5.205 6.901 1.00 0.00 H new ATOM 0 HE3 MET A 66 2.649 5.464 6.040 1.00 0.00 H new ATOM 1022 N ARG A 67 9.214 4.579 4.205 1.00 0.00 N ATOM 1023 CA ARG A 67 10.554 4.146 3.826 1.00 0.00 C ATOM 1024 C ARG A 67 11.240 3.438 4.989 1.00 0.00 C ATOM 1025 O ARG A 67 11.967 2.464 4.794 1.00 0.00 O ATOM 1026 CB ARG A 67 11.391 5.353 3.395 1.00 0.00 C ATOM 1027 CG ARG A 67 10.782 5.971 2.136 1.00 0.00 C ATOM 1028 CD ARG A 67 11.671 7.117 1.648 1.00 0.00 C ATOM 1029 NE ARG A 67 11.007 7.850 0.576 1.00 0.00 N ATOM 1030 CZ ARG A 67 11.659 8.757 -0.143 1.00 0.00 C ATOM 1031 NH1 ARG A 67 12.917 9.003 0.102 1.00 0.00 N ATOM 1032 NH2 ARG A 67 11.042 9.402 -1.096 1.00 0.00 N ATOM 0 H ARG A 67 9.054 5.584 4.136 1.00 0.00 H new ATOM 0 HA ARG A 67 10.466 3.448 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.424 6.091 4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.419 5.046 3.202 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.685 5.215 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.779 6.340 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.894 7.791 2.475 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.623 6.722 1.293 1.00 0.00 H new ATOM 0 HE ARG A 67 10.025 7.663 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.400 8.499 0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.417 9.699 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.059 9.210 -1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.543 10.098 -1.648 1.00 0.00 H new ATOM 1046 N ALA A 68 11.004 3.935 6.199 1.00 0.00 N ATOM 1047 CA ALA A 68 11.605 3.340 7.388 1.00 0.00 C ATOM 1048 C ALA A 68 11.083 1.923 7.602 1.00 0.00 C ATOM 1049 O ALA A 68 11.821 1.038 8.036 1.00 0.00 O ATOM 1050 CB ALA A 68 11.287 4.194 8.615 1.00 0.00 C ATOM 0 H ALA A 68 10.406 4.741 6.382 1.00 0.00 H new ATOM 0 HA ALA A 68 12.685 3.298 7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.739 3.744 9.499 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.688 5.198 8.474 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.207 4.251 8.749 1.00 0.00 H new ATOM 1056 N ALA A 69 9.807 1.714 7.295 1.00 0.00 N ATOM 1057 CA ALA A 69 9.197 0.400 7.459 1.00 0.00 C ATOM 1058 C ALA A 69 9.860 -0.619 6.540 1.00 0.00 C ATOM 1059 O ALA A 69 10.047 -1.777 6.913 1.00 0.00 O ATOM 1060 CB ALA A 69 7.701 0.476 7.146 1.00 0.00 C ATOM 0 H ALA A 69 9.179 2.432 6.934 1.00 0.00 H new ATOM 0 HA ALA A 69 9.336 0.083 8.492 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.253 -0.510 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.222 1.181 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.561 0.811 6.118 1.00 0.00 H new ATOM 1066 N HIS A 70 10.213 -0.181 5.336 1.00 0.00 N ATOM 1067 CA HIS A 70 10.855 -1.066 4.371 1.00 0.00 C ATOM 1068 C HIS A 70 12.370 -1.040 4.546 1.00 0.00 C ATOM 1069 O HIS A 70 13.075 -1.937 4.086 1.00 0.00 O ATOM 1070 CB HIS A 70 10.497 -0.632 2.948 1.00 0.00 C ATOM 1071 CG HIS A 70 9.006 -0.707 2.761 1.00 0.00 C ATOM 1072 ND1 HIS A 70 8.190 0.408 2.870 1.00 0.00 N ATOM 1073 CD2 HIS A 70 8.171 -1.756 2.470 1.00 0.00 C ATOM 1074 CE1 HIS A 70 6.925 0.008 2.649 1.00 0.00 C ATOM 1075 NE2 HIS A 70 6.856 -1.303 2.401 1.00 0.00 N ATOM 0 H HIS A 70 10.067 0.773 5.007 1.00 0.00 H new ATOM 0 HA HIS A 70 10.498 -2.081 4.543 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.846 0.385 2.768 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.998 -1.274 2.224 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.494 1.359 3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.486 -2.778 2.318 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.069 0.666 2.670 1.00 0.00 H new ATOM 1083 N GLN A 71 12.863 -0.001 5.212 1.00 0.00 N ATOM 1084 CA GLN A 71 14.297 0.139 5.442 1.00 0.00 C ATOM 1085 C GLN A 71 14.844 -1.060 6.210 1.00 0.00 C ATOM 1086 O GLN A 71 15.960 -1.514 5.957 1.00 0.00 O ATOM 1087 CB GLN A 71 14.576 1.420 6.229 1.00 0.00 C ATOM 1088 CG GLN A 71 16.084 1.665 6.288 1.00 0.00 C ATOM 1089 CD GLN A 71 16.373 2.959 7.042 1.00 0.00 C ATOM 1090 OE1 GLN A 71 15.450 3.699 7.382 1.00 0.00 O ATOM 1091 NE2 GLN A 71 17.607 3.277 7.326 1.00 0.00 N ATOM 0 H GLN A 71 12.295 0.752 5.600 1.00 0.00 H new ATOM 0 HA GLN A 71 14.794 0.189 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.078 2.266 5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 71 14.171 1.335 7.237 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.578 0.828 6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.491 1.724 5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.370 2.662 7.043 1.00 0.00 H new ATOM 0 HE22 GLN A 71 17.808 4.140 7.831 1.00 0.00 H new ATOM 1100 N ASP A 72 14.054 -1.566 7.152 1.00 0.00 N ATOM 1101 CA ASP A 72 14.477 -2.709 7.954 1.00 0.00 C ATOM 1102 C ASP A 72 14.826 -3.895 7.062 1.00 0.00 C ATOM 1103 O ASP A 72 15.801 -4.604 7.309 1.00 0.00 O ATOM 1104 CB ASP A 72 13.362 -3.108 8.921 1.00 0.00 C ATOM 1105 CG ASP A 72 13.157 -2.012 9.963 1.00 0.00 C ATOM 1106 OD1 ASP A 72 13.999 -1.134 10.042 1.00 0.00 O ATOM 1107 OD2 ASP A 72 12.162 -2.070 10.666 1.00 0.00 O ATOM 0 H ASP A 72 13.126 -1.207 7.377 1.00 0.00 H new ATOM 0 HA ASP A 72 15.364 -2.422 8.518 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.436 -3.276 8.371 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.615 -4.047 9.414 1.00 0.00 H new ATOM 1112 N LEU A 73 14.025 -4.107 6.023 1.00 0.00 N ATOM 1113 CA LEU A 73 14.264 -5.211 5.101 1.00 0.00 C ATOM 1114 C LEU A 73 15.593 -5.026 4.377 1.00 0.00 C ATOM 1115 O LEU A 73 16.313 -5.991 4.121 1.00 0.00 O ATOM 1116 CB LEU A 73 13.130 -5.291 4.076 1.00 0.00 C ATOM 1117 CG LEU A 73 11.790 -5.446 4.798 1.00 0.00 C ATOM 1118 CD1 LEU A 73 10.668 -5.582 3.768 1.00 0.00 C ATOM 1119 CD2 LEU A 73 11.824 -6.698 5.678 1.00 0.00 C ATOM 0 H LEU A 73 13.211 -3.534 5.799 1.00 0.00 H new ATOM 0 HA LEU A 73 14.301 -6.137 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 73 13.120 -4.392 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 73 13.292 -6.135 3.405 1.00 0.00 H new ATOM 0 HG LEU A 73 11.611 -4.569 5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.713 -5.692 4.282 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.641 -4.692 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.849 -6.459 3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.869 -6.808 6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 73 12.004 -7.575 5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.623 -6.604 6.413 1.00 0.00 H new ATOM 1131 N VAL A 74 15.909 -3.779 4.047 1.00 0.00 N ATOM 1132 CA VAL A 74 17.152 -3.471 3.348 1.00 0.00 C ATOM 1133 C VAL A 74 18.364 -3.803 4.215 1.00 0.00 C ATOM 1134 O VAL A 74 19.384 -4.275 3.714 1.00 0.00 O ATOM 1135 CB VAL A 74 17.184 -1.989 2.971 1.00 0.00 C ATOM 1136 CG1 VAL A 74 18.558 -1.636 2.397 1.00 0.00 C ATOM 1137 CG2 VAL A 74 16.107 -1.709 1.920 1.00 0.00 C ATOM 0 H VAL A 74 15.325 -2.968 4.251 1.00 0.00 H new ATOM 0 HA VAL A 74 17.194 -4.080 2.445 1.00 0.00 H new ATOM 0 HB VAL A 74 16.995 -1.385 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.580 -0.580 2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 74 19.327 -1.837 3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.748 -2.240 1.510 1.00 0.00 H new ATOM 0 HG21 VAL A 74 16.128 -0.653 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 74 16.297 -2.314 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 74 15.127 -1.960 2.327 1.00 0.00 H new ATOM 1147 N GLU A 75 18.250 -3.544 5.513 1.00 0.00 N ATOM 1148 CA GLU A 75 19.350 -3.811 6.432 1.00 0.00 C ATOM 1149 C GLU A 75 19.723 -5.291 6.422 1.00 0.00 C ATOM 1150 O GLU A 75 20.901 -5.641 6.505 1.00 0.00 O ATOM 1151 CB GLU A 75 18.955 -3.395 7.851 1.00 0.00 C ATOM 1152 CG GLU A 75 18.739 -1.881 7.901 1.00 0.00 C ATOM 1153 CD GLU A 75 20.041 -1.153 7.583 1.00 0.00 C ATOM 1154 OE1 GLU A 75 21.084 -1.780 7.673 1.00 0.00 O ATOM 1155 OE2 GLU A 75 19.977 0.020 7.253 1.00 0.00 O ATOM 0 H GLU A 75 17.415 -3.153 5.950 1.00 0.00 H new ATOM 0 HA GLU A 75 20.214 -3.232 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 75 18.044 -3.913 8.152 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.734 -3.685 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.968 -1.592 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.383 -1.589 8.889 1.00 0.00 H new ATOM 1162 N ASN A 76 18.720 -6.155 6.318 1.00 0.00 N ATOM 1163 CA ASN A 76 18.969 -7.593 6.296 1.00 0.00 C ATOM 1164 C ASN A 76 18.644 -8.181 4.927 1.00 0.00 C ATOM 1165 O ASN A 76 19.513 -8.734 4.255 1.00 0.00 O ATOM 1166 CB ASN A 76 18.119 -8.285 7.363 1.00 0.00 C ATOM 1167 CG ASN A 76 18.517 -7.791 8.750 1.00 0.00 C ATOM 1168 OD1 ASN A 76 19.595 -7.221 8.920 1.00 0.00 O ATOM 1169 ND2 ASN A 76 17.708 -7.976 9.757 1.00 0.00 N ATOM 0 H ASN A 76 17.737 -5.890 6.248 1.00 0.00 H new ATOM 0 HA ASN A 76 20.026 -7.759 6.504 1.00 0.00 H new ATOM 0 HB2 ASN A 76 17.063 -8.083 7.185 1.00 0.00 H new ATOM 0 HB3 ASN A 76 18.252 -9.365 7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.968 -7.648 10.687 1.00 0.00 H new ATOM 0 HD22 ASN A 76 16.815 -8.448 9.614 1.00 0.00 H new ATOM 1176 N ALA A 77 17.383 -8.059 4.522 1.00 0.00 N ATOM 1177 CA ALA A 77 16.949 -8.584 3.232 1.00 0.00 C ATOM 1178 C ALA A 77 17.442 -7.700 2.091 1.00 0.00 C ATOM 1179 O ALA A 77 17.552 -6.482 2.239 1.00 0.00 O ATOM 1180 CB ALA A 77 15.421 -8.666 3.191 1.00 0.00 C ATOM 0 H ALA A 77 16.649 -7.604 5.064 1.00 0.00 H new ATOM 0 HA ALA A 77 17.374 -9.580 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.103 -9.059 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.071 -9.326 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.999 -7.671 3.335 1.00 0.00 H new ATOM 1186 N GLY A 78 17.730 -8.319 0.952 1.00 0.00 N ATOM 1187 CA GLY A 78 18.203 -7.576 -0.211 1.00 0.00 C ATOM 1188 C GLY A 78 17.070 -7.366 -1.208 1.00 0.00 C ATOM 1189 O GLY A 78 16.886 -8.161 -2.131 1.00 0.00 O ATOM 0 H GLY A 78 17.645 -9.325 0.809 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.601 -6.612 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.020 -8.118 -0.688 1.00 0.00 H new ATOM 1193 N LEU A 79 16.309 -6.295 -1.012 1.00 0.00 N ATOM 1194 CA LEU A 79 15.190 -5.993 -1.899 1.00 0.00 C ATOM 1195 C LEU A 79 15.582 -4.917 -2.907 1.00 0.00 C ATOM 1196 O LEU A 79 16.121 -3.873 -2.539 1.00 0.00 O ATOM 1197 CB LEU A 79 13.990 -5.514 -1.075 1.00 0.00 C ATOM 1198 CG LEU A 79 12.757 -5.376 -1.975 1.00 0.00 C ATOM 1199 CD1 LEU A 79 12.119 -6.748 -2.208 1.00 0.00 C ATOM 1200 CD2 LEU A 79 11.738 -4.455 -1.298 1.00 0.00 C ATOM 0 H LEU A 79 16.444 -5.626 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 79 14.921 -6.900 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.786 -6.220 -0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.218 -4.556 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 79 13.061 -4.955 -2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 79 11.244 -6.638 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.841 -7.408 -2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.817 -7.176 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.859 -4.354 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.444 -4.881 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.185 -3.474 -1.138 1.00 0.00 H new ATOM 1212 N THR A 80 15.305 -5.180 -4.180 1.00 0.00 N ATOM 1213 CA THR A 80 15.630 -4.229 -5.236 1.00 0.00 C ATOM 1214 C THR A 80 14.383 -3.877 -6.042 1.00 0.00 C ATOM 1215 O THR A 80 13.335 -4.505 -5.893 1.00 0.00 O ATOM 1216 CB THR A 80 16.704 -4.811 -6.157 1.00 0.00 C ATOM 1217 OG1 THR A 80 16.165 -5.905 -6.881 1.00 0.00 O ATOM 1218 CG2 THR A 80 17.893 -5.286 -5.321 1.00 0.00 C ATOM 0 H THR A 80 14.859 -6.038 -4.504 1.00 0.00 H new ATOM 0 HA THR A 80 16.014 -3.319 -4.775 1.00 0.00 H new ATOM 0 HB THR A 80 17.037 -4.043 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.502 -6.368 -6.328 1.00 0.00 H new ATOM 0 HG21 THR A 80 18.657 -5.700 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 80 18.308 -4.444 -4.767 1.00 0.00 H new ATOM 0 HG23 THR A 80 17.562 -6.053 -4.621 1.00 0.00 H new ATOM 1226 N ASP A 81 14.502 -2.858 -6.888 1.00 0.00 N ATOM 1227 CA ASP A 81 13.378 -2.413 -7.706 1.00 0.00 C ATOM 1228 C ASP A 81 12.774 -3.564 -8.508 1.00 0.00 C ATOM 1229 O ASP A 81 11.560 -3.614 -8.710 1.00 0.00 O ATOM 1230 CB ASP A 81 13.839 -1.316 -8.667 1.00 0.00 C ATOM 1231 CG ASP A 81 14.171 -0.047 -7.890 1.00 0.00 C ATOM 1232 OD1 ASP A 81 13.814 0.021 -6.725 1.00 0.00 O ATOM 1233 OD2 ASP A 81 14.776 0.839 -8.471 1.00 0.00 O ATOM 0 H ASP A 81 15.362 -2.327 -7.025 1.00 0.00 H new ATOM 0 HA ASP A 81 12.612 -2.026 -7.034 1.00 0.00 H new ATOM 0 HB2 ASP A 81 14.715 -1.652 -9.222 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.058 -1.110 -9.399 1.00 0.00 H new ATOM 1238 N VAL A 82 13.617 -4.477 -8.976 1.00 0.00 N ATOM 1239 CA VAL A 82 13.132 -5.605 -9.767 1.00 0.00 C ATOM 1240 C VAL A 82 12.022 -6.351 -9.030 1.00 0.00 C ATOM 1241 O VAL A 82 11.039 -6.775 -9.639 1.00 0.00 O ATOM 1242 CB VAL A 82 14.281 -6.569 -10.075 1.00 0.00 C ATOM 1243 CG1 VAL A 82 14.514 -7.496 -8.882 1.00 0.00 C ATOM 1244 CG2 VAL A 82 13.925 -7.406 -11.306 1.00 0.00 C ATOM 0 H VAL A 82 14.626 -4.461 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 82 12.729 -5.213 -10.701 1.00 0.00 H new ATOM 0 HB VAL A 82 15.188 -5.997 -10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.333 -8.180 -9.107 1.00 0.00 H new ATOM 0 HG12 VAL A 82 14.768 -6.902 -8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.608 -8.068 -8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.742 -8.093 -11.527 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.016 -7.974 -11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 82 13.764 -6.747 -12.159 1.00 0.00 H new ATOM 1254 N HIS A 83 12.179 -6.505 -7.719 1.00 0.00 N ATOM 1255 CA HIS A 83 11.177 -7.199 -6.919 1.00 0.00 C ATOM 1256 C HIS A 83 9.821 -6.513 -7.049 1.00 0.00 C ATOM 1257 O HIS A 83 8.789 -7.174 -7.169 1.00 0.00 O ATOM 1258 CB HIS A 83 11.605 -7.225 -5.451 1.00 0.00 C ATOM 1259 CG HIS A 83 12.819 -8.101 -5.300 1.00 0.00 C ATOM 1260 ND1 HIS A 83 14.107 -7.590 -5.313 1.00 0.00 N ATOM 1261 CD2 HIS A 83 12.956 -9.458 -5.135 1.00 0.00 C ATOM 1262 CE1 HIS A 83 14.955 -8.623 -5.159 1.00 0.00 C ATOM 1263 NE2 HIS A 83 14.306 -9.784 -5.047 1.00 0.00 N ATOM 0 H HIS A 83 12.982 -6.162 -7.192 1.00 0.00 H new ATOM 0 HA HIS A 83 11.089 -8.222 -7.286 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.827 -6.215 -5.108 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.792 -7.601 -4.830 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.140 -10.164 -5.082 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.030 -8.525 -5.130 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.712 -10.711 -4.923 1.00 0.00 H new ATOM 1271 N PHE A 84 9.831 -5.184 -7.029 1.00 0.00 N ATOM 1272 CA PHE A 84 8.595 -4.420 -7.150 1.00 0.00 C ATOM 1273 C PHE A 84 7.878 -4.778 -8.447 1.00 0.00 C ATOM 1274 O PHE A 84 6.662 -4.961 -8.469 1.00 0.00 O ATOM 1275 CB PHE A 84 8.906 -2.922 -7.132 1.00 0.00 C ATOM 1276 CG PHE A 84 7.616 -2.137 -7.139 1.00 0.00 C ATOM 1277 CD1 PHE A 84 6.961 -1.857 -5.933 1.00 0.00 C ATOM 1278 CD2 PHE A 84 7.077 -1.688 -8.350 1.00 0.00 C ATOM 1279 CE1 PHE A 84 5.765 -1.129 -5.941 1.00 0.00 C ATOM 1280 CE2 PHE A 84 5.881 -0.959 -8.356 1.00 0.00 C ATOM 1281 CZ PHE A 84 5.225 -0.680 -7.152 1.00 0.00 C ATOM 0 H PHE A 84 10.674 -4.618 -6.931 1.00 0.00 H new ATOM 0 HA PHE A 84 7.948 -4.665 -6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 84 9.491 -2.672 -6.247 1.00 0.00 H new ATOM 0 HB3 PHE A 84 9.511 -2.655 -7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 84 7.378 -2.202 -4.998 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.583 -1.904 -9.279 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.258 -0.914 -5.012 1.00 0.00 H new ATOM 0 HE2 PHE A 84 5.465 -0.612 -9.290 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.302 -0.118 -7.157 1.00 0.00 H new ATOM 1291 N ASP A 85 8.644 -4.877 -9.526 1.00 0.00 N ATOM 1292 CA ASP A 85 8.079 -5.216 -10.826 1.00 0.00 C ATOM 1293 C ASP A 85 7.457 -6.611 -10.800 1.00 0.00 C ATOM 1294 O ASP A 85 6.450 -6.862 -11.461 1.00 0.00 O ATOM 1295 CB ASP A 85 9.168 -5.163 -11.898 1.00 0.00 C ATOM 1296 CG ASP A 85 8.549 -5.335 -13.280 1.00 0.00 C ATOM 1297 OD1 ASP A 85 8.091 -4.346 -13.830 1.00 0.00 O ATOM 1298 OD2 ASP A 85 8.540 -6.452 -13.769 1.00 0.00 O ATOM 0 H ASP A 85 9.653 -4.728 -9.527 1.00 0.00 H new ATOM 0 HA ASP A 85 7.300 -4.490 -11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.697 -4.212 -11.844 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.903 -5.948 -11.720 1.00 0.00 H new ATOM 1303 N ALA A 86 8.071 -7.517 -10.046 1.00 0.00 N ATOM 1304 CA ALA A 86 7.577 -8.888 -9.958 1.00 0.00 C ATOM 1305 C ALA A 86 6.149 -8.929 -9.419 1.00 0.00 C ATOM 1306 O ALA A 86 5.235 -9.395 -10.098 1.00 0.00 O ATOM 1307 CB ALA A 86 8.488 -9.713 -9.047 1.00 0.00 C ATOM 0 H ALA A 86 8.906 -7.330 -9.490 1.00 0.00 H new ATOM 0 HA ALA A 86 7.579 -9.310 -10.963 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.113 -10.735 -8.986 1.00 0.00 H new ATOM 0 HB2 ALA A 86 9.499 -9.721 -9.454 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.502 -9.272 -8.050 1.00 0.00 H new ATOM 1313 N ILE A 87 5.962 -8.443 -8.195 1.00 0.00 N ATOM 1314 CA ILE A 87 4.635 -8.440 -7.589 1.00 0.00 C ATOM 1315 C ILE A 87 3.678 -7.565 -8.392 1.00 0.00 C ATOM 1316 O ILE A 87 2.465 -7.775 -8.372 1.00 0.00 O ATOM 1317 CB ILE A 87 4.712 -7.938 -6.143 1.00 0.00 C ATOM 1318 CG1 ILE A 87 3.398 -8.255 -5.424 1.00 0.00 C ATOM 1319 CG2 ILE A 87 4.947 -6.427 -6.129 1.00 0.00 C ATOM 1320 CD1 ILE A 87 3.574 -8.041 -3.920 1.00 0.00 C ATOM 0 H ILE A 87 6.701 -8.052 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 87 4.257 -9.462 -7.591 1.00 0.00 H new ATOM 0 HB ILE A 87 5.538 -8.434 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.601 -7.615 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.102 -9.285 -5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 87 5.001 -6.077 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.883 -6.200 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 87 4.125 -5.926 -6.640 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.638 -8.267 -3.408 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.359 -8.700 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.850 -7.004 -3.730 1.00 0.00 H new ATOM 1332 N ALA A 88 4.231 -6.582 -9.097 1.00 0.00 N ATOM 1333 CA ALA A 88 3.412 -5.682 -9.901 1.00 0.00 C ATOM 1334 C ALA A 88 2.698 -6.449 -11.010 1.00 0.00 C ATOM 1335 O ALA A 88 1.520 -6.216 -11.280 1.00 0.00 O ATOM 1336 CB ALA A 88 4.289 -4.590 -10.516 1.00 0.00 C ATOM 0 H ALA A 88 5.232 -6.390 -9.128 1.00 0.00 H new ATOM 0 HA ALA A 88 2.663 -5.226 -9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.671 -3.921 -11.115 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.773 -4.022 -9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.049 -5.047 -11.150 1.00 0.00 H new ATOM 1342 N GLU A 89 3.418 -7.367 -11.649 1.00 0.00 N ATOM 1343 CA GLU A 89 2.837 -8.162 -12.724 1.00 0.00 C ATOM 1344 C GLU A 89 1.725 -9.059 -12.191 1.00 0.00 C ATOM 1345 O GLU A 89 0.719 -9.281 -12.863 1.00 0.00 O ATOM 1346 CB GLU A 89 3.916 -9.023 -13.384 1.00 0.00 C ATOM 1347 CG GLU A 89 4.915 -8.123 -14.113 1.00 0.00 C ATOM 1348 CD GLU A 89 5.967 -8.975 -14.815 1.00 0.00 C ATOM 1349 OE1 GLU A 89 5.979 -10.174 -14.588 1.00 0.00 O ATOM 1350 OE2 GLU A 89 6.746 -8.416 -15.569 1.00 0.00 O ATOM 0 H GLU A 89 4.395 -7.577 -11.443 1.00 0.00 H new ATOM 0 HA GLU A 89 2.415 -7.480 -13.462 1.00 0.00 H new ATOM 0 HB2 GLU A 89 4.431 -9.620 -12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.460 -9.721 -14.086 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.394 -7.501 -14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.395 -7.449 -13.404 1.00 0.00 H new ATOM 1357 N ASN A 90 1.914 -9.570 -10.979 1.00 0.00 N ATOM 1358 CA ASN A 90 0.917 -10.442 -10.368 1.00 0.00 C ATOM 1359 C ASN A 90 -0.421 -9.721 -10.251 1.00 0.00 C ATOM 1360 O ASN A 90 -1.479 -10.321 -10.445 1.00 0.00 O ATOM 1361 CB ASN A 90 1.388 -10.882 -8.980 1.00 0.00 C ATOM 1362 CG ASN A 90 2.643 -11.737 -9.103 1.00 0.00 C ATOM 1363 OD1 ASN A 90 2.949 -12.243 -10.182 1.00 0.00 O ATOM 1364 ND2 ASN A 90 3.394 -11.931 -8.053 1.00 0.00 N ATOM 0 H ASN A 90 2.740 -9.398 -10.405 1.00 0.00 H new ATOM 0 HA ASN A 90 0.790 -11.320 -11.001 1.00 0.00 H new ATOM 0 HB2 ASN A 90 1.593 -10.008 -8.362 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.600 -11.447 -8.482 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.236 -12.503 -8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.139 -11.511 -7.159 1.00 0.00 H new ATOM 1371 N LEU A 91 -0.368 -8.432 -9.932 1.00 0.00 N ATOM 1372 CA LEU A 91 -1.585 -7.640 -9.793 1.00 0.00 C ATOM 1373 C LEU A 91 -2.343 -7.596 -11.114 1.00 0.00 C ATOM 1374 O LEU A 91 -3.571 -7.667 -11.138 1.00 0.00 O ATOM 1375 CB LEU A 91 -1.231 -6.216 -9.354 1.00 0.00 C ATOM 1376 CG LEU A 91 -2.512 -5.430 -9.047 1.00 0.00 C ATOM 1377 CD1 LEU A 91 -3.103 -5.888 -7.710 1.00 0.00 C ATOM 1378 CD2 LEU A 91 -2.183 -3.938 -8.971 1.00 0.00 C ATOM 0 H LEU A 91 0.497 -7.917 -9.766 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.220 -8.104 -9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.592 -6.247 -8.471 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.666 -5.714 -10.139 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.240 -5.610 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.012 -5.324 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.339 -6.951 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.379 -5.716 -6.914 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.091 -3.376 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.452 -3.766 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.772 -3.607 -9.925 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.604 -7.478 -12.212 1.00 0.00 N ATOM 1391 CA VAL A 92 -2.222 -7.424 -13.533 1.00 0.00 C ATOM 1392 C VAL A 92 -2.945 -8.730 -13.841 1.00 0.00 C ATOM 1393 O VAL A 92 -4.067 -8.725 -14.349 1.00 0.00 O ATOM 1394 CB VAL A 92 -1.154 -7.169 -14.597 1.00 0.00 C ATOM 1395 CG1 VAL A 92 -1.780 -7.280 -15.988 1.00 0.00 C ATOM 1396 CG2 VAL A 92 -0.574 -5.765 -14.410 1.00 0.00 C ATOM 0 H VAL A 92 -0.586 -7.418 -12.215 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.947 -6.610 -13.541 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.359 -7.908 -14.497 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.018 -7.098 -16.746 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.194 -8.280 -16.122 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.575 -6.542 -16.089 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.188 -5.582 -15.168 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.370 -5.027 -14.509 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.126 -5.685 -13.419 1.00 0.00 H new ATOM 1406 N LEU A 93 -2.296 -9.848 -13.534 1.00 0.00 N ATOM 1407 CA LEU A 93 -2.888 -11.156 -13.785 1.00 0.00 C ATOM 1408 C LEU A 93 -4.152 -11.343 -12.954 1.00 0.00 C ATOM 1409 O LEU A 93 -5.118 -11.959 -13.404 1.00 0.00 O ATOM 1410 CB LEU A 93 -1.883 -12.259 -13.443 1.00 0.00 C ATOM 1411 CG LEU A 93 -0.595 -12.051 -14.246 1.00 0.00 C ATOM 1412 CD1 LEU A 93 0.381 -13.189 -13.950 1.00 0.00 C ATOM 1413 CD2 LEU A 93 -0.921 -12.041 -15.741 1.00 0.00 C ATOM 0 H LEU A 93 -1.367 -9.875 -13.114 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.150 -11.217 -14.841 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.663 -12.246 -12.375 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.310 -13.236 -13.669 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.143 -11.100 -13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.297 -13.041 -14.522 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.615 -13.200 -12.886 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.072 -14.140 -14.232 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.005 -11.893 -16.312 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.374 -12.992 -16.021 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.617 -11.231 -15.956 1.00 0.00 H new ATOM 1425 N THR A 94 -4.139 -10.809 -11.736 1.00 0.00 N ATOM 1426 CA THR A 94 -5.290 -10.926 -10.850 1.00 0.00 C ATOM 1427 C THR A 94 -6.530 -10.314 -11.496 1.00 0.00 C ATOM 1428 O THR A 94 -7.622 -10.875 -11.418 1.00 0.00 O ATOM 1429 CB THR A 94 -5.001 -10.219 -9.523 1.00 0.00 C ATOM 1430 OG1 THR A 94 -3.798 -10.732 -8.970 1.00 0.00 O ATOM 1431 CG2 THR A 94 -6.156 -10.462 -8.550 1.00 0.00 C ATOM 0 H THR A 94 -3.350 -10.295 -11.343 1.00 0.00 H new ATOM 0 HA THR A 94 -5.476 -11.984 -10.665 1.00 0.00 H new ATOM 0 HB THR A 94 -4.896 -9.148 -9.696 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.034 -10.411 -9.493 1.00 0.00 H new ATOM 0 HG21 THR A 94 -5.949 -9.958 -7.606 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.079 -10.069 -8.976 1.00 0.00 H new ATOM 0 HG23 THR A 94 -6.264 -11.532 -8.374 1.00 0.00 H new ATOM 1439 N LEU A 95 -6.352 -9.161 -12.135 1.00 0.00 N ATOM 1440 CA LEU A 95 -7.464 -8.485 -12.791 1.00 0.00 C ATOM 1441 C LEU A 95 -8.006 -9.333 -13.939 1.00 0.00 C ATOM 1442 O LEU A 95 -9.209 -9.349 -14.196 1.00 0.00 O ATOM 1443 CB LEU A 95 -7.010 -7.125 -13.326 1.00 0.00 C ATOM 1444 CG LEU A 95 -6.459 -6.277 -12.176 1.00 0.00 C ATOM 1445 CD1 LEU A 95 -6.058 -4.899 -12.705 1.00 0.00 C ATOM 1446 CD2 LEU A 95 -7.532 -6.111 -11.098 1.00 0.00 C ATOM 0 H LEU A 95 -5.456 -8.680 -12.212 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.257 -8.338 -12.058 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -6.244 -7.261 -14.090 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.847 -6.612 -13.801 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.588 -6.774 -11.748 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.666 -4.295 -11.887 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.292 -5.013 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.930 -4.406 -13.134 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.137 -5.507 -10.281 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.404 -5.616 -11.526 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.821 -7.091 -10.718 1.00 0.00 H new ATOM 1458 N GLN A 96 -7.109 -10.035 -14.625 1.00 0.00 N ATOM 1459 CA GLN A 96 -7.512 -10.880 -15.743 1.00 0.00 C ATOM 1460 C GLN A 96 -8.503 -11.942 -15.279 1.00 0.00 C ATOM 1461 O GLN A 96 -9.441 -12.288 -15.997 1.00 0.00 O ATOM 1462 CB GLN A 96 -6.283 -11.558 -16.353 1.00 0.00 C ATOM 1463 CG GLN A 96 -5.319 -10.496 -16.886 1.00 0.00 C ATOM 1464 CD GLN A 96 -5.924 -9.797 -18.099 1.00 0.00 C ATOM 1465 OE1 GLN A 96 -6.806 -8.951 -17.955 1.00 0.00 O ATOM 1466 NE2 GLN A 96 -5.501 -10.103 -19.295 1.00 0.00 N ATOM 0 H GLN A 96 -6.108 -10.036 -14.429 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.992 -10.254 -16.495 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.784 -12.172 -15.603 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.587 -12.225 -17.160 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.104 -9.766 -16.106 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.371 -10.959 -17.159 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.770 -10.804 -19.413 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.901 -9.641 -20.111 1.00 0.00 H new ATOM 1475 N GLU A 97 -8.289 -12.452 -14.070 1.00 0.00 N ATOM 1476 CA GLU A 97 -9.169 -13.472 -13.513 1.00 0.00 C ATOM 1477 C GLU A 97 -10.577 -12.915 -13.321 1.00 0.00 C ATOM 1478 O GLU A 97 -11.563 -13.644 -13.425 1.00 0.00 O ATOM 1479 CB GLU A 97 -8.621 -13.956 -12.169 1.00 0.00 C ATOM 1480 CG GLU A 97 -7.273 -14.645 -12.386 1.00 0.00 C ATOM 1481 CD GLU A 97 -6.747 -15.190 -11.063 1.00 0.00 C ATOM 1482 OE1 GLU A 97 -7.335 -14.878 -10.041 1.00 0.00 O ATOM 1483 OE2 GLU A 97 -5.763 -15.912 -11.091 1.00 0.00 O ATOM 0 H GLU A 97 -7.518 -12.177 -13.461 1.00 0.00 H new ATOM 0 HA GLU A 97 -9.213 -14.309 -14.209 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.505 -13.114 -11.487 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.324 -14.648 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -7.382 -15.457 -13.106 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -6.558 -13.939 -12.808 1.00 0.00 H new ATOM 1490 N LEU A 98 -10.657 -11.621 -13.037 1.00 0.00 N ATOM 1491 CA LEU A 98 -11.946 -10.972 -12.826 1.00 0.00 C ATOM 1492 C LEU A 98 -12.603 -10.631 -14.160 1.00 0.00 C ATOM 1493 O LEU A 98 -13.707 -10.088 -14.198 1.00 0.00 O ATOM 1494 CB LEU A 98 -11.759 -9.692 -12.007 1.00 0.00 C ATOM 1495 CG LEU A 98 -11.030 -10.017 -10.701 1.00 0.00 C ATOM 1496 CD1 LEU A 98 -10.922 -8.752 -9.848 1.00 0.00 C ATOM 1497 CD2 LEU A 98 -11.813 -11.083 -9.930 1.00 0.00 C ATOM 0 H LEU A 98 -9.850 -11.003 -12.948 1.00 0.00 H new ATOM 0 HA LEU A 98 -12.592 -11.662 -12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.189 -8.962 -12.581 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.728 -9.242 -11.792 1.00 0.00 H new ATOM 0 HG LEU A 98 -10.031 -10.391 -10.928 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.403 -8.984 -8.918 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -10.365 -7.991 -10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.921 -8.379 -9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.294 -11.314 -9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.812 -10.709 -9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.892 -11.986 -10.536 1.00 0.00 H new ATOM 1509 N ASN A 99 -11.918 -10.951 -15.253 1.00 0.00 N ATOM 1510 CA ASN A 99 -12.449 -10.670 -16.582 1.00 0.00 C ATOM 1511 C ASN A 99 -12.660 -9.170 -16.768 1.00 0.00 C ATOM 1512 O ASN A 99 -13.733 -8.728 -17.177 1.00 0.00 O ATOM 1513 CB ASN A 99 -13.778 -11.403 -16.779 1.00 0.00 C ATOM 1514 CG ASN A 99 -14.116 -11.482 -18.263 1.00 0.00 C ATOM 1515 OD1 ASN A 99 -13.375 -10.961 -19.098 1.00 0.00 O ATOM 1516 ND2 ASN A 99 -15.197 -12.105 -18.646 1.00 0.00 N ATOM 0 H ASN A 99 -11.003 -11.401 -15.246 1.00 0.00 H new ATOM 0 HA ASN A 99 -11.729 -11.019 -17.322 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -13.715 -12.407 -16.358 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -14.572 -10.883 -16.244 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.429 -12.161 -19.638 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -15.810 -12.536 -17.954 1.00 0.00 H new ATOM 1523 N VAL A 100 -11.627 -8.393 -16.458 1.00 0.00 N ATOM 1524 CA VAL A 100 -11.704 -6.943 -16.589 1.00 0.00 C ATOM 1525 C VAL A 100 -10.978 -6.482 -17.850 1.00 0.00 C ATOM 1526 O VAL A 100 -9.910 -6.996 -18.185 1.00 0.00 O ATOM 1527 CB VAL A 100 -11.081 -6.271 -15.363 1.00 0.00 C ATOM 1528 CG1 VAL A 100 -11.255 -4.756 -15.465 1.00 0.00 C ATOM 1529 CG2 VAL A 100 -11.774 -6.776 -14.095 1.00 0.00 C ATOM 0 H VAL A 100 -10.731 -8.741 -16.116 1.00 0.00 H new ATOM 0 HA VAL A 100 -12.754 -6.659 -16.662 1.00 0.00 H new ATOM 0 HB VAL A 100 -10.019 -6.513 -15.320 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -10.811 -4.279 -14.591 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -10.762 -4.393 -16.367 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -12.317 -4.514 -15.510 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -11.330 -6.297 -13.222 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -12.836 -6.535 -14.140 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -11.650 -7.856 -14.018 1.00 0.00 H new ATOM 1539 N SER A 101 -11.566 -5.515 -18.547 1.00 0.00 N ATOM 1540 CA SER A 101 -10.968 -4.999 -19.775 1.00 0.00 C ATOM 1541 C SER A 101 -9.534 -4.542 -19.529 1.00 0.00 C ATOM 1542 O SER A 101 -9.221 -3.973 -18.483 1.00 0.00 O ATOM 1543 CB SER A 101 -11.794 -3.828 -20.305 1.00 0.00 C ATOM 1544 OG SER A 101 -11.257 -3.400 -21.549 1.00 0.00 O ATOM 0 H SER A 101 -12.449 -5.075 -18.286 1.00 0.00 H new ATOM 0 HA SER A 101 -10.957 -5.801 -20.513 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.834 -4.128 -20.429 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.783 -3.006 -19.589 1.00 0.00 H new ATOM 0 HG SER A 101 -11.786 -2.650 -21.893 1.00 0.00 H new ATOM 1550 N GLN A 102 -8.667 -4.803 -20.501 1.00 0.00 N ATOM 1551 CA GLN A 102 -7.262 -4.424 -20.394 1.00 0.00 C ATOM 1552 C GLN A 102 -7.111 -2.916 -20.212 1.00 0.00 C ATOM 1553 O GLN A 102 -6.208 -2.457 -19.513 1.00 0.00 O ATOM 1554 CB GLN A 102 -6.509 -4.863 -21.652 1.00 0.00 C ATOM 1555 CG GLN A 102 -5.008 -4.649 -21.454 1.00 0.00 C ATOM 1556 CD GLN A 102 -4.463 -5.663 -20.453 1.00 0.00 C ATOM 1557 OE1 GLN A 102 -4.837 -6.835 -20.491 1.00 0.00 O ATOM 1558 NE2 GLN A 102 -3.596 -5.280 -19.558 1.00 0.00 N ATOM 0 H GLN A 102 -8.912 -5.275 -21.371 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.843 -4.921 -19.519 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.712 -5.913 -21.861 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -6.857 -4.293 -22.514 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.489 -4.752 -22.407 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -4.821 -3.636 -21.097 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -3.288 -4.308 -19.529 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.225 -5.952 -18.886 1.00 0.00 H new ATOM 1567 N ASP A 103 -7.988 -2.150 -20.851 1.00 0.00 N ATOM 1568 CA ASP A 103 -7.923 -0.696 -20.754 1.00 0.00 C ATOM 1569 C ASP A 103 -7.931 -0.251 -19.295 1.00 0.00 C ATOM 1570 O ASP A 103 -7.184 0.647 -18.907 1.00 0.00 O ATOM 1571 CB ASP A 103 -9.111 -0.070 -21.486 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.989 -0.321 -22.985 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -7.925 -0.735 -23.412 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -9.963 -0.092 -23.685 1.00 0.00 O ATOM 0 H ASP A 103 -8.744 -2.506 -21.436 1.00 0.00 H new ATOM 0 HA ASP A 103 -6.994 -0.363 -21.216 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -10.043 -0.493 -21.112 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -9.146 1.002 -21.290 1.00 0.00 H new ATOM 1579 N LEU A 104 -8.772 -0.888 -18.486 1.00 0.00 N ATOM 1580 CA LEU A 104 -8.853 -0.546 -17.071 1.00 0.00 C ATOM 1581 C LEU A 104 -7.544 -0.889 -16.370 1.00 0.00 C ATOM 1582 O LEU A 104 -7.094 -0.165 -15.482 1.00 0.00 O ATOM 1583 CB LEU A 104 -10.003 -1.309 -16.412 1.00 0.00 C ATOM 1584 CG LEU A 104 -11.316 -0.984 -17.128 1.00 0.00 C ATOM 1585 CD1 LEU A 104 -12.468 -1.717 -16.437 1.00 0.00 C ATOM 1586 CD2 LEU A 104 -11.571 0.524 -17.070 1.00 0.00 C ATOM 0 H LEU A 104 -9.400 -1.635 -18.782 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.035 0.525 -16.982 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.811 -2.381 -16.453 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.075 -1.038 -15.359 1.00 0.00 H new ATOM 0 HG LEU A 104 -11.249 -1.303 -18.168 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.404 -1.486 -16.946 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -12.290 -2.792 -16.475 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.532 -1.396 -15.397 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.506 0.755 -17.580 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.637 0.842 -16.030 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -10.751 1.051 -17.559 1.00 0.00 H new ATOM 1598 N ILE A 105 -6.936 -1.999 -16.778 1.00 0.00 N ATOM 1599 CA ILE A 105 -5.677 -2.434 -16.187 1.00 0.00 C ATOM 1600 C ILE A 105 -4.589 -1.390 -16.409 1.00 0.00 C ATOM 1601 O ILE A 105 -3.766 -1.140 -15.528 1.00 0.00 O ATOM 1602 CB ILE A 105 -5.243 -3.765 -16.802 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -6.309 -4.828 -16.517 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -3.911 -4.202 -16.190 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -5.937 -6.129 -17.230 1.00 0.00 C ATOM 0 H ILE A 105 -7.293 -2.610 -17.512 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.827 -2.561 -15.115 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.124 -3.646 -17.879 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.389 -4.999 -15.444 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.284 -4.480 -16.858 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.603 -5.151 -16.629 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.153 -3.446 -16.391 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.027 -4.322 -15.113 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.696 -6.885 -17.027 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.880 -5.952 -18.304 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.970 -6.479 -16.868 1.00 0.00 H new ATOM 1617 N ASP A 106 -4.588 -0.784 -17.592 1.00 0.00 N ATOM 1618 CA ASP A 106 -3.591 0.230 -17.915 1.00 0.00 C ATOM 1619 C ASP A 106 -3.648 1.374 -16.909 1.00 0.00 C ATOM 1620 O ASP A 106 -2.615 1.889 -16.481 1.00 0.00 O ATOM 1621 CB ASP A 106 -3.836 0.774 -19.325 1.00 0.00 C ATOM 1622 CG ASP A 106 -3.571 -0.317 -20.357 1.00 0.00 C ATOM 1623 OD1 ASP A 106 -3.004 -1.331 -19.985 1.00 0.00 O ATOM 1624 OD2 ASP A 106 -3.938 -0.121 -21.504 1.00 0.00 O ATOM 0 H ASP A 106 -5.259 -0.975 -18.336 1.00 0.00 H new ATOM 0 HA ASP A 106 -2.604 -0.230 -17.871 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.863 1.129 -19.414 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -3.186 1.629 -19.512 1.00 0.00 H new ATOM 1629 N GLU A 107 -4.861 1.765 -16.531 1.00 0.00 N ATOM 1630 CA GLU A 107 -5.035 2.847 -15.568 1.00 0.00 C ATOM 1631 C GLU A 107 -4.486 2.440 -14.205 1.00 0.00 C ATOM 1632 O GLU A 107 -3.910 3.257 -13.486 1.00 0.00 O ATOM 1633 CB GLU A 107 -6.517 3.200 -15.440 1.00 0.00 C ATOM 1634 CG GLU A 107 -7.029 3.755 -16.770 1.00 0.00 C ATOM 1635 CD GLU A 107 -8.489 4.174 -16.634 1.00 0.00 C ATOM 1636 OE1 GLU A 107 -9.077 3.872 -15.609 1.00 0.00 O ATOM 1637 OE2 GLU A 107 -8.997 4.789 -17.557 1.00 0.00 O ATOM 0 H GLU A 107 -5.730 1.354 -16.873 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.486 3.719 -15.924 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -7.089 2.316 -15.159 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.659 3.936 -14.649 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -6.424 4.609 -17.074 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -6.930 3.000 -17.550 1.00 0.00 H new ATOM 1644 N VAL A 108 -4.669 1.170 -13.858 1.00 0.00 N ATOM 1645 CA VAL A 108 -4.188 0.658 -12.580 1.00 0.00 C ATOM 1646 C VAL A 108 -2.665 0.698 -12.523 1.00 0.00 C ATOM 1647 O VAL A 108 -2.080 1.010 -11.485 1.00 0.00 O ATOM 1648 CB VAL A 108 -4.669 -0.780 -12.381 1.00 0.00 C ATOM 1649 CG1 VAL A 108 -4.029 -1.362 -11.119 1.00 0.00 C ATOM 1650 CG2 VAL A 108 -6.192 -0.793 -12.230 1.00 0.00 C ATOM 0 H VAL A 108 -5.144 0.480 -14.440 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.586 1.289 -11.785 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.383 -1.380 -13.245 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.372 -2.387 -10.977 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.944 -1.353 -11.224 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.315 -0.761 -10.256 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -6.535 -1.818 -12.088 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -6.477 -0.192 -11.366 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -6.650 -0.378 -13.128 1.00 0.00 H new ATOM 1660 N VAL A 109 -2.027 0.374 -13.644 1.00 0.00 N ATOM 1661 CA VAL A 109 -0.571 0.370 -13.709 1.00 0.00 C ATOM 1662 C VAL A 109 -0.010 1.753 -13.392 1.00 0.00 C ATOM 1663 O VAL A 109 0.991 1.880 -12.689 1.00 0.00 O ATOM 1664 CB VAL A 109 -0.115 -0.058 -15.106 1.00 0.00 C ATOM 1665 CG1 VAL A 109 1.399 0.131 -15.229 1.00 0.00 C ATOM 1666 CG2 VAL A 109 -0.463 -1.531 -15.324 1.00 0.00 C ATOM 0 H VAL A 109 -2.492 0.113 -14.513 1.00 0.00 H new ATOM 0 HA VAL A 109 -0.197 -0.336 -12.968 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.619 0.551 -15.856 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.724 -0.174 -16.224 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.649 1.180 -15.071 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.904 -0.479 -14.480 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.139 -1.838 -16.318 1.00 0.00 H new ATOM 0 HG22 VAL A 109 0.042 -2.139 -14.574 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.541 -1.667 -15.235 1.00 0.00 H new ATOM 1676 N THR A 110 -0.660 2.786 -13.919 1.00 0.00 N ATOM 1677 CA THR A 110 -0.211 4.154 -13.686 1.00 0.00 C ATOM 1678 C THR A 110 -0.216 4.482 -12.196 1.00 0.00 C ATOM 1679 O THR A 110 0.705 5.125 -11.690 1.00 0.00 O ATOM 1680 CB THR A 110 -1.122 5.135 -14.429 1.00 0.00 C ATOM 1681 OG1 THR A 110 -1.173 4.783 -15.803 1.00 0.00 O ATOM 1682 CG2 THR A 110 -0.573 6.555 -14.283 1.00 0.00 C ATOM 0 H THR A 110 -1.491 2.704 -14.505 1.00 0.00 H new ATOM 0 HA THR A 110 0.809 4.247 -14.059 1.00 0.00 H new ATOM 0 HB THR A 110 -2.125 5.092 -14.006 1.00 0.00 H new ATOM 0 HG1 THR A 110 -1.757 5.409 -16.280 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.222 7.252 -14.812 1.00 0.00 H new ATOM 0 HG22 THR A 110 -0.536 6.824 -13.227 1.00 0.00 H new ATOM 0 HG23 THR A 110 0.431 6.602 -14.705 1.00 0.00 H new ATOM 1690 N ILE A 111 -1.258 4.042 -11.497 1.00 0.00 N ATOM 1691 CA ILE A 111 -1.368 4.302 -10.066 1.00 0.00 C ATOM 1692 C ILE A 111 -0.184 3.701 -9.313 1.00 0.00 C ATOM 1693 O ILE A 111 0.476 4.384 -8.530 1.00 0.00 O ATOM 1694 CB ILE A 111 -2.671 3.709 -9.528 1.00 0.00 C ATOM 1695 CG1 ILE A 111 -3.858 4.353 -10.248 1.00 0.00 C ATOM 1696 CG2 ILE A 111 -2.775 3.984 -8.027 1.00 0.00 C ATOM 1697 CD1 ILE A 111 -5.154 3.661 -9.818 1.00 0.00 C ATOM 0 H ILE A 111 -2.032 3.509 -11.894 1.00 0.00 H new ATOM 0 HA ILE A 111 -1.367 5.381 -9.913 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.680 2.633 -9.701 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.906 5.416 -10.013 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -3.730 4.271 -11.327 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -3.704 3.562 -7.643 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -1.929 3.527 -7.514 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -2.767 5.060 -7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -5.999 4.120 -10.331 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -5.104 2.603 -10.076 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -5.283 3.767 -8.741 1.00 0.00 H new ATOM 1709 N VAL A 112 0.077 2.421 -9.555 1.00 0.00 N ATOM 1710 CA VAL A 112 1.185 1.738 -8.895 1.00 0.00 C ATOM 1711 C VAL A 112 2.499 2.025 -9.615 1.00 0.00 C ATOM 1712 O VAL A 112 3.578 1.869 -9.044 1.00 0.00 O ATOM 1713 CB VAL A 112 0.931 0.230 -8.872 1.00 0.00 C ATOM 1714 CG1 VAL A 112 -0.406 -0.055 -8.183 1.00 0.00 C ATOM 1715 CG2 VAL A 112 0.886 -0.299 -10.307 1.00 0.00 C ATOM 0 H VAL A 112 -0.459 1.838 -10.198 1.00 0.00 H new ATOM 0 HA VAL A 112 1.257 2.109 -7.873 1.00 0.00 H new ATOM 0 HB VAL A 112 1.733 -0.265 -8.324 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.585 -1.130 -8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -0.376 0.323 -7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -1.209 0.439 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 112 0.705 -1.374 -10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.083 0.197 -10.853 1.00 0.00 H new ATOM 0 HG23 VAL A 112 1.838 -0.098 -10.799 1.00 0.00 H new ATOM 1725 N GLY A 113 2.397 2.437 -10.873 1.00 0.00 N ATOM 1726 CA GLY A 113 3.582 2.737 -11.668 1.00 0.00 C ATOM 1727 C GLY A 113 4.185 4.082 -11.278 1.00 0.00 C ATOM 1728 O GLY A 113 5.075 4.592 -11.958 1.00 0.00 O ATOM 0 H GLY A 113 1.512 2.570 -11.362 1.00 0.00 H new ATOM 0 HA2 GLY A 113 4.324 1.950 -11.530 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.320 2.747 -12.726 1.00 0.00 H new ATOM 1732 N SER A 114 3.696 4.656 -10.183 1.00 0.00 N ATOM 1733 CA SER A 114 4.204 5.945 -9.724 1.00 0.00 C ATOM 1734 C SER A 114 5.698 5.854 -9.432 1.00 0.00 C ATOM 1735 O SER A 114 6.162 4.897 -8.812 1.00 0.00 O ATOM 1736 CB SER A 114 3.458 6.381 -8.463 1.00 0.00 C ATOM 1737 OG SER A 114 2.070 6.487 -8.752 1.00 0.00 O ATOM 0 H SER A 114 2.958 4.256 -9.603 1.00 0.00 H new ATOM 0 HA SER A 114 4.043 6.682 -10.511 1.00 0.00 H new ATOM 0 HB2 SER A 114 3.621 5.659 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 114 3.842 7.339 -8.112 1.00 0.00 H new ATOM 0 HG SER A 114 1.688 5.590 -8.853 1.00 0.00 H new ATOM 1743 N VAL A 115 6.444 6.856 -9.885 1.00 0.00 N ATOM 1744 CA VAL A 115 7.887 6.883 -9.672 1.00 0.00 C ATOM 1745 C VAL A 115 8.222 7.127 -8.203 1.00 0.00 C ATOM 1746 O VAL A 115 9.149 6.526 -7.659 1.00 0.00 O ATOM 1747 CB VAL A 115 8.518 7.983 -10.526 1.00 0.00 C ATOM 1748 CG1 VAL A 115 10.003 8.106 -10.184 1.00 0.00 C ATOM 1749 CG2 VAL A 115 8.365 7.628 -12.007 1.00 0.00 C ATOM 0 H VAL A 115 6.076 7.656 -10.399 1.00 0.00 H new ATOM 0 HA VAL A 115 8.289 5.913 -9.963 1.00 0.00 H new ATOM 0 HB VAL A 115 8.019 8.931 -10.324 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.453 8.890 -10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.114 8.357 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.503 7.158 -10.386 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.814 8.411 -12.617 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.865 6.680 -12.207 1.00 0.00 H new ATOM 0 HG23 VAL A 115 7.307 7.539 -12.252 1.00 0.00 H new ATOM 1759 N GLN A 116 7.471 8.023 -7.570 1.00 0.00 N ATOM 1760 CA GLN A 116 7.710 8.352 -6.168 1.00 0.00 C ATOM 1761 C GLN A 116 7.622 7.110 -5.287 1.00 0.00 C ATOM 1762 O GLN A 116 8.445 6.916 -4.392 1.00 0.00 O ATOM 1763 CB GLN A 116 6.683 9.384 -5.697 1.00 0.00 C ATOM 1764 CG GLN A 116 7.056 9.873 -4.295 1.00 0.00 C ATOM 1765 CD GLN A 116 5.988 10.829 -3.776 1.00 0.00 C ATOM 1766 OE1 GLN A 116 5.018 11.202 -4.567 1.00 0.00 O flip ATOM 1767 NE2 GLN A 116 6.037 11.247 -2.620 1.00 0.00 N flip ATOM 0 H GLN A 116 6.698 8.531 -8.001 1.00 0.00 H new ATOM 0 HA GLN A 116 8.716 8.764 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.652 10.224 -6.390 1.00 0.00 H new ATOM 0 HB3 GLN A 116 5.687 8.942 -5.686 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.155 9.024 -3.619 1.00 0.00 H new ATOM 0 HG3 GLN A 116 8.023 10.375 -4.321 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.795 10.955 -2.004 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.319 11.886 -2.278 1.00 0.00 H new ATOM 1776 N HIS A 117 6.622 6.272 -5.538 1.00 0.00 N ATOM 1777 CA HIS A 117 6.447 5.058 -4.749 1.00 0.00 C ATOM 1778 C HIS A 117 7.652 4.135 -4.912 1.00 0.00 C ATOM 1779 O HIS A 117 8.167 3.590 -3.936 1.00 0.00 O ATOM 1780 CB HIS A 117 5.173 4.329 -5.180 1.00 0.00 C ATOM 1781 CG HIS A 117 4.817 3.292 -4.151 1.00 0.00 C ATOM 1782 ND1 HIS A 117 5.104 3.459 -2.806 1.00 0.00 N ATOM 1783 CD2 HIS A 117 4.177 2.082 -4.250 1.00 0.00 C ATOM 1784 CE1 HIS A 117 4.642 2.378 -2.153 1.00 0.00 C ATOM 1785 NE2 HIS A 117 4.064 1.503 -2.988 1.00 0.00 N ATOM 0 H HIS A 117 5.928 6.408 -6.273 1.00 0.00 H new ATOM 0 HA HIS A 117 6.361 5.339 -3.699 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.355 5.040 -5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.322 3.857 -6.151 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.580 4.258 -2.387 1.00 0.00 H new ATOM 0 HD2 HIS A 117 3.815 1.644 -5.169 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.726 2.233 -1.086 1.00 0.00 H new ATOM 1793 N ARG A 118 8.098 3.966 -6.152 1.00 0.00 N ATOM 1794 CA ARG A 118 9.246 3.111 -6.429 1.00 0.00 C ATOM 1795 C ARG A 118 10.473 3.602 -5.668 1.00 0.00 C ATOM 1796 O ARG A 118 11.244 2.808 -5.129 1.00 0.00 O ATOM 1797 CB ARG A 118 9.541 3.107 -7.929 1.00 0.00 C ATOM 1798 CG ARG A 118 10.686 2.136 -8.225 1.00 0.00 C ATOM 1799 CD ARG A 118 11.018 2.181 -9.717 1.00 0.00 C ATOM 1800 NE ARG A 118 12.036 1.189 -10.041 1.00 0.00 N ATOM 1801 CZ ARG A 118 12.849 1.352 -11.080 1.00 0.00 C ATOM 1802 NH1 ARG A 118 12.743 2.414 -11.831 1.00 0.00 N ATOM 1803 NH2 ARG A 118 13.752 0.450 -11.350 1.00 0.00 N ATOM 0 H ARG A 118 7.686 4.406 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 118 9.011 2.098 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 118 8.650 2.814 -8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 118 9.807 4.111 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.565 2.403 -7.638 1.00 0.00 H new ATOM 0 HG3 ARG A 118 10.404 1.124 -7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.118 1.992 -10.302 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.371 3.176 -9.988 1.00 0.00 H new ATOM 0 HE ARG A 118 12.126 0.355 -9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 118 12.036 3.119 -11.621 1.00 0.00 H new ATOM 0 HH12 ARG A 118 13.367 2.539 -12.628 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.834 -0.381 -10.764 1.00 0.00 H new ATOM 0 HH22 ARG A 118 14.376 0.575 -12.147 1.00 0.00 H new ATOM 1817 N ASN A 119 10.650 4.920 -5.634 1.00 0.00 N ATOM 1818 CA ASN A 119 11.787 5.514 -4.942 1.00 0.00 C ATOM 1819 C ASN A 119 11.768 5.159 -3.457 1.00 0.00 C ATOM 1820 O ASN A 119 12.817 4.955 -2.846 1.00 0.00 O ATOM 1821 CB ASN A 119 11.757 7.034 -5.102 1.00 0.00 C ATOM 1822 CG ASN A 119 11.937 7.406 -6.570 1.00 0.00 C ATOM 1823 OD1 ASN A 119 12.396 6.587 -7.368 1.00 0.00 O ATOM 1824 ND2 ASN A 119 11.601 8.599 -6.979 1.00 0.00 N ATOM 0 H ASN A 119 10.023 5.593 -6.076 1.00 0.00 H new ATOM 0 HA ASN A 119 12.700 5.116 -5.384 1.00 0.00 H new ATOM 0 HB2 ASN A 119 10.811 7.429 -4.731 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.548 7.487 -4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 119 11.718 8.854 -7.960 1.00 0.00 H new ATOM 0 HD22 ASN A 119 11.221 9.277 -6.318 1.00 0.00 H new ATOM 1831 N ASP A 120 10.572 5.094 -2.882 1.00 0.00 N ATOM 1832 CA ASP A 120 10.436 4.771 -1.466 1.00 0.00 C ATOM 1833 C ASP A 120 11.058 3.412 -1.157 1.00 0.00 C ATOM 1834 O ASP A 120 11.679 3.229 -0.112 1.00 0.00 O ATOM 1835 CB ASP A 120 8.960 4.762 -1.067 1.00 0.00 C ATOM 1836 CG ASP A 120 8.384 6.171 -1.173 1.00 0.00 C ATOM 1837 OD1 ASP A 120 9.166 7.100 -1.300 1.00 0.00 O ATOM 1838 OD2 ASP A 120 7.172 6.301 -1.126 1.00 0.00 O ATOM 0 H ASP A 120 9.691 5.259 -3.369 1.00 0.00 H new ATOM 0 HA ASP A 120 10.961 5.534 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.404 4.083 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.852 4.392 -0.048 1.00 0.00 H new ATOM 1843 N VAL A 121 10.888 2.461 -2.072 1.00 0.00 N ATOM 1844 CA VAL A 121 11.444 1.126 -1.877 1.00 0.00 C ATOM 1845 C VAL A 121 12.963 1.191 -1.766 1.00 0.00 C ATOM 1846 O VAL A 121 13.564 0.543 -0.909 1.00 0.00 O ATOM 1847 CB VAL A 121 11.052 0.223 -3.047 1.00 0.00 C ATOM 1848 CG1 VAL A 121 11.782 -1.117 -2.925 1.00 0.00 C ATOM 1849 CG2 VAL A 121 9.541 -0.018 -3.021 1.00 0.00 C ATOM 0 H VAL A 121 10.376 2.588 -2.945 1.00 0.00 H new ATOM 0 HA VAL A 121 11.042 0.715 -0.951 1.00 0.00 H new ATOM 0 HB VAL A 121 11.329 0.704 -3.985 1.00 0.00 H new ATOM 0 HG11 VAL A 121 11.503 -1.761 -3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 121 12.859 -0.948 -2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.505 -1.598 -1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 121 9.261 -0.662 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.265 -0.499 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.019 0.935 -3.107 1.00 0.00 H new ATOM 1859 N LEU A 122 13.577 1.982 -2.638 1.00 0.00 N ATOM 1860 CA LEU A 122 15.028 2.136 -2.634 1.00 0.00 C ATOM 1861 C LEU A 122 15.496 2.823 -1.356 1.00 0.00 C ATOM 1862 O LEU A 122 16.634 2.639 -0.924 1.00 0.00 O ATOM 1863 CB LEU A 122 15.472 2.948 -3.853 1.00 0.00 C ATOM 1864 CG LEU A 122 15.053 2.221 -5.134 1.00 0.00 C ATOM 1865 CD1 LEU A 122 15.466 3.048 -6.352 1.00 0.00 C ATOM 1866 CD2 LEU A 122 15.745 0.856 -5.194 1.00 0.00 C ATOM 0 H LEU A 122 13.095 2.525 -3.355 1.00 0.00 H new ATOM 0 HA LEU A 122 15.478 1.144 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 122 15.025 3.941 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 122 16.553 3.085 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 122 13.971 2.086 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.167 2.529 -7.263 1.00 0.00 H new ATOM 0 HD12 LEU A 122 14.978 4.022 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 122 16.548 3.183 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 122 15.448 0.337 -6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.826 0.996 -5.192 1.00 0.00 H new ATOM 0 HD23 LEU A 122 15.454 0.262 -4.327 1.00 0.00 H new ATOM 1878 N ASN A 123 14.615 3.627 -0.765 1.00 0.00 N ATOM 1879 CA ASN A 123 14.945 4.352 0.460 1.00 0.00 C ATOM 1880 C ASN A 123 16.110 5.306 0.220 1.00 0.00 C ATOM 1881 O ASN A 123 17.035 5.388 1.026 1.00 0.00 O ATOM 1882 CB ASN A 123 15.306 3.373 1.583 1.00 0.00 C ATOM 1883 CG ASN A 123 14.137 2.434 1.859 1.00 0.00 C ATOM 1884 OD1 ASN A 123 12.980 2.833 1.744 1.00 0.00 O ATOM 1885 ND2 ASN A 123 14.374 1.204 2.225 1.00 0.00 N ATOM 0 H ASN A 123 13.671 3.793 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 123 14.069 4.928 0.758 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.187 2.796 1.303 1.00 0.00 H new ATOM 0 HB3 ASN A 123 15.561 3.924 2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 123 13.598 0.570 2.417 1.00 0.00 H new ATOM 0 HD22 ASN A 123 15.335 0.876 2.319 1.00 0.00 H new ATOM 1892 N ARG A 124 16.054 6.028 -0.896 1.00 0.00 N ATOM 1893 CA ARG A 124 17.108 6.978 -1.235 1.00 0.00 C ATOM 1894 C ARG A 124 16.539 8.389 -1.337 1.00 0.00 C ATOM 1895 O ARG A 124 16.835 9.191 -0.467 1.00 0.00 O ATOM 1896 CB ARG A 124 17.754 6.591 -2.568 1.00 0.00 C ATOM 1897 CG ARG A 124 18.268 5.147 -2.504 1.00 0.00 C ATOM 1898 CD ARG A 124 19.530 5.080 -1.639 1.00 0.00 C ATOM 1899 NE ARG A 124 20.185 3.787 -1.807 1.00 0.00 N ATOM 1900 CZ ARG A 124 20.766 3.457 -2.955 1.00 0.00 C ATOM 1901 NH1 ARG A 124 20.756 4.292 -3.957 1.00 0.00 N ATOM 1902 NH2 ARG A 124 21.348 2.295 -3.081 1.00 0.00 N ATOM 1903 OXT ARG A 124 15.815 8.647 -2.286 1.00 0.00 O ATOM 0 H ARG A 124 15.296 5.974 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 124 17.861 6.954 -0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 124 17.029 6.692 -3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 124 18.577 7.269 -2.793 1.00 0.00 H new ATOM 0 HG2 ARG A 124 17.498 4.496 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 124 18.486 4.785 -3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 124 20.214 5.882 -1.917 1.00 0.00 H new ATOM 0 HD3 ARG A 124 19.271 5.232 -0.591 1.00 0.00 H new ATOM 0 HE ARG A 124 20.197 3.126 -1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 124 20.302 5.200 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 124 21.203 4.037 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 124 21.356 1.641 -2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 124 21.794 2.041 -3.962 1.00 0.00 H new TER 1917 ARG A 124 HETATM 1918 FE HEB A 125 4.692 -2.008 2.387 1.00 0.00 FE HETATM 1919 CHA HEB A 125 4.361 -2.036 5.755 1.00 0.00 C HETATM 1920 CHB HEB A 125 2.610 0.654 2.205 1.00 0.00 C HETATM 1921 CHC HEB A 125 5.019 -1.989 -0.986 1.00 0.00 C HETATM 1922 CHD HEB A 125 6.745 -4.693 2.563 1.00 0.00 C HETATM 1923 NA HEB A 125 3.707 -0.927 3.691 1.00 0.00 N HETATM 1924 C1A HEB A 125 3.678 -1.069 5.062 1.00 0.00 C HETATM 1925 C2A HEB A 125 2.831 -0.077 5.681 1.00 0.00 C HETATM 1926 C3A HEB A 125 2.340 0.688 4.678 1.00 0.00 C HETATM 1927 C4A HEB A 125 2.883 0.153 3.452 1.00 0.00 C HETATM 1928 CMA HEB A 125 1.430 1.865 4.815 1.00 0.00 C HETATM 1929 CAA HEB A 125 2.541 0.066 7.138 1.00 0.00 C HETATM 1930 CBA HEB A 125 3.631 0.848 7.875 1.00 0.00 C HETATM 1931 CGA HEB A 125 3.177 1.162 9.296 1.00 0.00 C HETATM 1932 O1A HEB A 125 3.572 0.439 10.196 1.00 0.00 O HETATM 1933 O2A HEB A 125 2.441 2.120 9.464 1.00 0.00 O HETATM 1934 NB HEB A 125 3.972 -0.907 0.931 1.00 0.00 N HETATM 1935 C1B HEB A 125 3.112 0.165 1.028 1.00 0.00 C HETATM 1936 C2B HEB A 125 2.802 0.720 -0.260 1.00 0.00 C HETATM 1937 C3B HEB A 125 3.475 -0.011 -1.175 1.00 0.00 C HETATM 1938 C4B HEB A 125 4.205 -1.025 -0.429 1.00 0.00 C HETATM 1939 CMB HEB A 125 1.907 1.879 -0.534 1.00 0.00 C HETATM 1940 CAB HEB A 125 3.436 0.201 -2.657 1.00 0.00 C HETATM 1941 CBB HEB A 125 2.005 0.209 -3.196 1.00 0.00 C HETATM 1942 NC HEB A 125 5.665 -3.094 1.083 1.00 0.00 N HETATM 1943 C1C HEB A 125 5.699 -2.951 -0.286 1.00 0.00 C HETATM 1944 C2C HEB A 125 6.536 -3.948 -0.901 1.00 0.00 C HETATM 1945 C3C HEB A 125 7.022 -4.713 0.099 1.00 0.00 C HETATM 1946 C4C HEB A 125 6.480 -4.180 1.322 1.00 0.00 C HETATM 1947 CMC HEB A 125 6.811 -4.105 -2.357 1.00 0.00 C HETATM 1948 CAC HEB A 125 7.872 -5.793 -0.024 1.00 0.00 C HETATM 1949 CBC HEB A 125 7.417 -7.005 -0.502 1.00 0.00 C HETATM 1950 ND HEB A 125 5.397 -3.121 3.840 1.00 0.00 N HETATM 1951 C1D HEB A 125 6.242 -4.207 3.746 1.00 0.00 C HETATM 1952 C2D HEB A 125 6.538 -4.767 5.046 1.00 0.00 C HETATM 1953 C3D HEB A 125 5.862 -4.007 5.951 1.00 0.00 C HETATM 1954 C4D HEB A 125 5.164 -2.997 5.193 1.00 0.00 C HETATM 1955 CMD HEB A 125 7.419 -5.947 5.326 1.00 0.00 C HETATM 1956 CAD HEB A 125 5.843 -4.161 7.440 1.00 0.00 C HETATM 1957 CBD HEB A 125 6.789 -3.181 8.136 1.00 0.00 C HETATM 1958 CGD HEB A 125 6.546 -3.201 9.642 1.00 0.00 C HETATM 1959 O1D HEB A 125 6.611 -2.143 10.247 1.00 0.00 O HETATM 1960 O2D HEB A 125 6.300 -4.274 10.168 1.00 0.00 O HETATM 0 HMD3 HEB A 125 7.023 -6.826 4.818 1.00 0.00 H new HETATM 0 HMD2 HEB A 125 8.427 -5.743 4.965 1.00 0.00 H new HETATM 0 HMD1 HEB A 125 7.449 -6.132 6.400 1.00 0.00 H new HETATM 0 HMC3 HEB A 125 5.875 -4.283 -2.887 1.00 0.00 H new HETATM 0 HMC2 HEB A 125 7.277 -3.197 -2.739 1.00 0.00 H new HETATM 0 HMC1 HEB A 125 7.482 -4.950 -2.512 1.00 0.00 H new HETATM 0 HMB3 HEB A 125 0.904 1.658 -0.169 1.00 0.00 H new HETATM 0 HMB2 HEB A 125 2.292 2.764 -0.027 1.00 0.00 H new HETATM 0 HMB1 HEB A 125 1.870 2.064 -1.608 1.00 0.00 H new HETATM 0 HMA3 HEB A 125 0.502 1.553 5.294 1.00 0.00 H new HETATM 0 HMA2 HEB A 125 1.913 2.630 5.423 1.00 0.00 H new HETATM 0 HMA1 HEB A 125 1.210 2.272 3.828 1.00 0.00 H new HETATM 0 HBD2 HEB A 125 7.824 -3.448 7.923 1.00 0.00 H new HETATM 0 HBD1 HEB A 125 6.633 -2.175 7.748 1.00 0.00 H new HETATM 0 HBC2 HEB A 125 8.103 -7.847 -0.592 1.00 0.00 H new HETATM 0 HBC1 HEB A 125 6.372 -7.120 -0.789 1.00 0.00 H new HETATM 0 HBB3 HEB A 125 1.528 -0.746 -2.976 1.00 0.00 H new HETATM 0 HBB2 HEB A 125 1.442 1.013 -2.722 1.00 0.00 H new HETATM 0 HBB1 HEB A 125 2.023 0.366 -4.275 1.00 0.00 H new HETATM 0 HBA2 HEB A 125 4.553 0.268 7.899 1.00 0.00 H new HETATM 0 HBA1 HEB A 125 3.850 1.773 7.342 1.00 0.00 H new HETATM 0 HAD2 HEB A 125 4.828 -4.006 7.806 1.00 0.00 H new HETATM 0 HAD1 HEB A 125 6.124 -5.181 7.701 1.00 0.00 H new HETATM 0 HAA2 HEB A 125 1.584 0.572 7.267 1.00 0.00 H new HETATM 0 HAA1 HEB A 125 2.442 -0.923 7.585 1.00 0.00 H new HETATM 0 HHD HEB A 125 7.408 -5.556 2.617 1.00 0.00 H new HETATM 0 HHC HEB A 125 5.130 -1.985 -2.070 1.00 0.00 H new HETATM 0 HHB HEB A 125 1.939 1.511 2.146 1.00 0.00 H new HETATM 0 HHA HEB A 125 4.258 -2.042 6.840 1.00 0.00 H new HETATM 0 HAC HEB A 125 8.919 -5.687 0.261 1.00 0.00 H new HETATM 0 HAB HEB A 125 4.005 -0.586 -3.151 1.00 0.00 H new