USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot 180:sc= 0.404 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.155 X(o=0.56,f=0.15) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.289 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.04 (180deg=0.978) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= 1.18 (180deg=-1.47) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -103:sc= 0.181 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= 1.27 (180deg=-0.00693) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc=-0.00466 (180deg=-0.0742) USER MOD Single : A 31 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.27) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.464 K(o=-0.46,f=-2.5) USER MOD Single : A 41 GLN : amide:sc= -0.0365 K(o=-0.037,f=-2.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0685 X(o=-0.069,f=-0.069) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.207 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 1.07 USER MOD Single : A 60 ASN : amide:sc= -0.0482 K(o=-0.048,f=-1.4!) USER MOD Single : A 62 GLN : amide:sc= -0.0679 X(o=-0.068,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0.883) USER MOD Single : A 65 SER OG : rot 93:sc= 0.579 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0957 X(o=-0.096,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.198 -4.702 -3.899 1.00 0.78 N ATOM 2 CA MET A 1 12.930 -5.314 -2.578 1.00 0.70 C ATOM 3 C MET A 1 11.496 -5.656 -2.366 1.00 0.62 C ATOM 4 O MET A 1 10.596 -5.226 -3.086 1.00 0.68 O ATOM 5 CB MET A 1 13.339 -4.365 -1.440 1.00 0.75 C ATOM 6 CG MET A 1 12.454 -3.133 -1.234 1.00 0.79 C ATOM 7 SD MET A 1 13.202 -1.950 -0.073 1.00 1.10 S ATOM 8 CE MET A 1 11.699 -0.936 0.013 1.00 0.84 C ATOM 0 H1 MET A 1 14.176 -4.350 -3.926 1.00 0.78 H new ATOM 0 H2 MET A 1 13.065 -5.414 -4.645 1.00 0.78 H new ATOM 0 H3 MET A 1 12.541 -3.911 -4.055 1.00 0.78 H new ATOM 0 HA MET A 1 13.520 -6.230 -2.567 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.356 -4.933 -0.510 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.358 -4.027 -1.626 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.284 -2.643 -2.193 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.479 -3.444 -0.858 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.866 -0.094 0.685 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.454 -0.564 -0.982 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.873 -1.541 0.388 1.00 0.84 H new ATOM 20 N GLN A 2 11.196 -6.351 -1.254 1.00 0.59 N ATOM 21 CA GLN A 2 9.873 -6.867 -1.083 1.00 0.56 C ATOM 22 C GLN A 2 9.092 -6.284 0.043 1.00 0.50 C ATOM 23 O GLN A 2 9.664 -6.132 1.121 1.00 0.60 O ATOM 24 CB GLN A 2 9.851 -8.401 -0.962 1.00 0.71 C ATOM 25 CG GLN A 2 10.466 -8.978 0.314 1.00 1.15 C ATOM 26 CD GLN A 2 10.511 -10.497 0.231 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.470 -11.149 0.295 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.714 -11.007 -0.146 1.00 1.72 N ATOM 0 H GLN A 2 11.847 -6.552 -0.494 1.00 0.59 H new ATOM 0 HA GLN A 2 9.377 -6.553 -2.001 1.00 0.56 H new ATOM 0 HB2 GLN A 2 8.816 -8.737 -1.028 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.378 -8.822 -1.819 1.00 0.71 H new ATOM 0 HG2 GLN A 2 11.473 -8.583 0.453 1.00 1.15 H new ATOM 0 HG3 GLN A 2 9.881 -8.670 1.181 1.00 1.15 H new ATOM 0 HE21 GLN A 2 12.537 -10.405 -0.176 1.00 1.72 H new ATOM 0 HE22 GLN A 2 11.794 -11.992 -0.399 1.00 1.72 H new ATOM 37 N ILE A 3 7.843 -5.832 -0.169 1.00 0.44 N ATOM 38 CA ILE A 3 6.975 -5.295 0.835 1.00 0.42 C ATOM 39 C ILE A 3 5.712 -6.079 0.948 1.00 0.40 C ATOM 40 O ILE A 3 5.399 -6.717 -0.056 1.00 0.50 O ATOM 41 CB ILE A 3 6.681 -3.831 0.706 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.898 -3.441 -0.560 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.930 -2.967 0.956 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.260 -2.060 -0.428 1.00 0.72 C ATOM 0 H ILE A 3 7.414 -5.842 -1.094 1.00 0.44 H new ATOM 0 HA ILE A 3 7.543 -5.394 1.760 1.00 0.42 H new ATOM 0 HB ILE A 3 5.982 -3.604 1.511 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.568 -3.451 -1.420 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.123 -4.183 -0.751 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.670 -1.913 0.852 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.304 -3.151 1.963 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.701 -3.224 0.230 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.716 -1.821 -1.342 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.570 -2.057 0.416 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.038 -1.314 -0.263 1.00 0.72 H new ATOM 56 N PHE A 4 5.031 -6.151 2.105 1.00 0.37 N ATOM 57 CA PHE A 4 3.885 -6.990 2.271 1.00 0.38 C ATOM 58 C PHE A 4 2.723 -6.065 2.392 1.00 0.39 C ATOM 59 O PHE A 4 2.676 -5.226 3.290 1.00 0.60 O ATOM 60 CB PHE A 4 3.917 -7.974 3.452 1.00 0.45 C ATOM 61 CG PHE A 4 5.237 -8.663 3.511 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.540 -9.447 2.423 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.075 -8.709 4.600 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.691 -10.200 2.440 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.171 -9.533 4.691 1.00 1.40 C ATOM 66 CZ PHE A 4 7.486 -10.251 3.560 1.00 0.85 C ATOM 0 H PHE A 4 5.280 -5.618 2.939 1.00 0.37 H new ATOM 0 HA PHE A 4 3.835 -7.656 1.410 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.735 -7.440 4.385 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.119 -8.709 3.344 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.883 -9.471 1.566 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.859 -8.058 5.434 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.974 -10.759 1.561 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.752 -9.613 5.598 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.374 -10.866 3.552 1.00 0.85 H new ATOM 76 N VAL A 5 1.725 -6.111 1.492 1.00 0.35 N ATOM 77 CA VAL A 5 0.522 -5.358 1.675 1.00 0.35 C ATOM 78 C VAL A 5 -0.581 -6.225 2.177 1.00 0.35 C ATOM 79 O VAL A 5 -0.987 -7.210 1.562 1.00 0.46 O ATOM 80 CB VAL A 5 0.085 -4.653 0.425 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.094 -3.736 0.791 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.305 -3.858 -0.070 1.00 0.56 C ATOM 0 H VAL A 5 1.750 -6.669 0.638 1.00 0.35 H new ATOM 0 HA VAL A 5 0.750 -4.596 2.420 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.249 -5.329 -0.362 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.435 -3.208 -0.100 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.911 -4.336 1.192 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.773 -3.013 1.541 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.044 -3.322 -0.982 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.609 -3.144 0.696 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.127 -4.544 -0.275 1.00 0.56 H new ATOM 92 N LYS A 6 -1.068 -5.950 3.400 1.00 0.36 N ATOM 93 CA LYS A 6 -2.148 -6.677 3.991 1.00 0.39 C ATOM 94 C LYS A 6 -3.485 -6.020 4.026 1.00 0.46 C ATOM 95 O LYS A 6 -3.738 -4.826 4.175 1.00 0.53 O ATOM 96 CB LYS A 6 -1.874 -6.774 5.502 1.00 0.54 C ATOM 97 CG LYS A 6 -0.584 -7.514 5.859 1.00 1.22 C ATOM 98 CD LYS A 6 -0.408 -7.910 7.326 1.00 1.37 C ATOM 99 CE LYS A 6 -1.439 -8.822 7.995 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.024 -8.962 9.410 1.00 2.09 N ATOM 0 H LYS A 6 -0.702 -5.204 3.992 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.185 -7.583 3.386 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.829 -5.767 5.917 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.713 -7.279 5.980 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -0.530 -8.418 5.253 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.260 -6.887 5.571 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.564 -8.395 7.418 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -0.361 -6.990 7.908 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.439 -8.394 7.925 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.474 -9.794 7.503 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.697 -9.577 9.910 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.074 -9.382 9.453 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.009 -8.025 9.862 1.00 2.09 H new ATOM 114 N THR A 7 -4.485 -6.850 3.683 1.00 0.58 N ATOM 115 CA THR A 7 -5.835 -6.398 3.822 1.00 0.78 C ATOM 116 C THR A 7 -6.372 -6.722 5.174 1.00 0.94 C ATOM 117 O THR A 7 -6.008 -7.688 5.843 1.00 0.99 O ATOM 118 CB THR A 7 -6.697 -6.830 2.672 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.111 -8.182 2.801 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.090 -6.627 1.273 1.00 0.92 C ATOM 0 H THR A 7 -4.370 -7.797 3.323 1.00 0.58 H new ATOM 0 HA THR A 7 -5.847 -5.310 3.764 1.00 0.78 H new ATOM 0 HB THR A 7 -7.552 -6.158 2.738 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.671 -8.427 2.035 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.795 -6.972 0.517 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.880 -5.569 1.118 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.164 -7.196 1.192 1.00 0.92 H new ATOM 128 N LEU A 8 -7.389 -5.986 5.657 1.00 1.17 N ATOM 129 CA LEU A 8 -8.150 -6.338 6.816 1.00 1.39 C ATOM 130 C LEU A 8 -8.903 -7.611 6.632 1.00 1.44 C ATOM 131 O LEU A 8 -8.893 -8.483 7.500 1.00 1.60 O ATOM 132 CB LEU A 8 -9.239 -5.291 7.107 1.00 1.66 C ATOM 133 CG LEU A 8 -8.699 -3.983 7.707 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.778 -2.895 7.575 1.00 2.53 C ATOM 135 CD2 LEU A 8 -8.075 -4.160 9.103 1.00 2.43 C ATOM 0 H LEU A 8 -7.693 -5.114 5.225 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.416 -6.416 7.618 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.768 -5.064 6.181 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -9.968 -5.721 7.794 1.00 1.66 H new ATOM 0 HG LEU A 8 -7.838 -3.639 7.134 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -9.407 -1.961 7.997 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.018 -2.747 6.522 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -10.675 -3.205 8.112 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -7.715 -3.197 9.465 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -8.826 -4.549 9.791 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -7.241 -4.860 9.043 1.00 2.43 H new ATOM 147 N THR A 9 -9.561 -7.798 5.475 1.00 1.41 N ATOM 148 CA THR A 9 -10.476 -8.884 5.309 1.00 1.51 C ATOM 149 C THR A 9 -9.837 -10.229 5.364 1.00 1.37 C ATOM 150 O THR A 9 -10.461 -11.108 5.955 1.00 1.62 O ATOM 151 CB THR A 9 -11.471 -8.699 4.202 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.756 -8.533 2.987 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.346 -7.453 4.416 1.00 2.08 C ATOM 0 H THR A 9 -9.460 -7.199 4.656 1.00 1.41 H new ATOM 0 HA THR A 9 -11.097 -8.854 6.205 1.00 1.51 H new ATOM 0 HB THR A 9 -12.121 -9.573 4.179 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.389 -8.412 2.249 1.00 1.89 H new ATOM 0 HG21 THR A 9 -13.052 -7.358 3.591 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.894 -7.550 5.353 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.713 -6.566 4.456 1.00 2.08 H new ATOM 161 N GLY A 10 -8.633 -10.499 4.826 1.00 1.18 N ATOM 162 CA GLY A 10 -7.858 -11.680 5.048 1.00 1.22 C ATOM 163 C GLY A 10 -6.795 -11.963 4.042 1.00 0.99 C ATOM 164 O GLY A 10 -6.223 -13.049 4.115 1.00 1.31 O ATOM 0 H GLY A 10 -8.171 -9.846 4.193 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -7.391 -11.605 6.030 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.535 -12.534 5.082 1.00 1.22 H new ATOM 168 N LYS A 11 -6.548 -11.141 3.007 1.00 0.73 N ATOM 169 CA LYS A 11 -5.548 -11.368 2.010 1.00 0.60 C ATOM 170 C LYS A 11 -4.312 -10.589 2.304 1.00 0.51 C ATOM 171 O LYS A 11 -4.266 -9.560 2.977 1.00 0.63 O ATOM 172 CB LYS A 11 -6.013 -10.862 0.634 1.00 0.75 C ATOM 173 CG LYS A 11 -5.174 -11.154 -0.611 1.00 0.87 C ATOM 174 CD LYS A 11 -5.525 -12.599 -0.975 1.00 1.04 C ATOM 175 CE LYS A 11 -5.024 -12.918 -2.385 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.956 -12.591 -3.488 1.00 1.40 N ATOM 0 H LYS A 11 -7.070 -10.277 2.858 1.00 0.73 H new ATOM 0 HA LYS A 11 -5.365 -12.443 2.010 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -7.008 -11.270 0.458 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.121 -9.780 0.706 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -5.417 -10.469 -1.424 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.109 -11.043 -0.408 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.075 -13.284 -0.256 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.604 -12.745 -0.921 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.092 -12.378 -2.550 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.790 -13.981 -2.435 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.252 -13.467 -3.963 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.792 -12.106 -3.104 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.479 -11.970 -4.173 1.00 1.40 H new ATOM 190 N THR A 12 -3.151 -11.183 1.978 1.00 0.49 N ATOM 191 CA THR A 12 -1.855 -10.578 1.931 1.00 0.48 C ATOM 192 C THR A 12 -1.256 -10.961 0.621 1.00 0.52 C ATOM 193 O THR A 12 -1.478 -12.037 0.070 1.00 0.72 O ATOM 194 CB THR A 12 -1.005 -11.010 3.088 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.643 -10.836 4.344 1.00 0.77 O ATOM 196 CG2 THR A 12 0.327 -10.252 3.215 1.00 0.78 C ATOM 0 H THR A 12 -3.117 -12.171 1.726 1.00 0.49 H new ATOM 0 HA THR A 12 -1.926 -9.493 2.014 1.00 0.48 H new ATOM 0 HB THR A 12 -0.830 -12.062 2.860 1.00 0.64 H new ATOM 0 HG1 THR A 12 -1.044 -11.135 5.059 1.00 0.77 H new ATOM 0 HG21 THR A 12 0.878 -10.627 4.077 1.00 0.78 H new ATOM 0 HG22 THR A 12 0.919 -10.403 2.312 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.129 -9.188 3.346 1.00 0.78 H new ATOM 204 N ILE A 13 -0.575 -9.977 0.008 1.00 0.48 N ATOM 205 CA ILE A 13 0.135 -9.983 -1.234 1.00 0.55 C ATOM 206 C ILE A 13 1.479 -9.399 -0.958 1.00 0.51 C ATOM 207 O ILE A 13 1.709 -8.570 -0.080 1.00 0.56 O ATOM 208 CB ILE A 13 -0.589 -9.196 -2.285 1.00 0.69 C ATOM 209 CG1 ILE A 13 -0.983 -7.756 -1.915 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.925 -9.892 -2.593 1.00 1.13 C ATOM 211 CD1 ILE A 13 -1.539 -7.042 -3.147 1.00 1.55 C ATOM 0 H ILE A 13 -0.517 -9.057 0.445 1.00 0.48 H new ATOM 0 HA ILE A 13 0.221 -10.998 -1.622 1.00 0.55 H new ATOM 0 HB ILE A 13 0.124 -9.150 -3.108 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.729 -7.765 -1.120 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.116 -7.218 -1.531 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.461 -9.329 -3.357 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -1.734 -10.902 -2.955 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.528 -9.939 -1.686 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -1.817 -6.022 -2.882 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -0.779 -7.019 -3.928 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.418 -7.575 -3.511 1.00 1.55 H new ATOM 223 N THR A 14 2.451 -9.859 -1.767 1.00 0.55 N ATOM 224 CA THR A 14 3.787 -9.351 -1.730 1.00 0.54 C ATOM 225 C THR A 14 3.997 -8.517 -2.947 1.00 0.55 C ATOM 226 O THR A 14 3.825 -8.992 -4.069 1.00 0.72 O ATOM 227 CB THR A 14 4.881 -10.357 -1.530 1.00 0.67 C ATOM 228 OG1 THR A 14 4.627 -11.122 -0.361 1.00 1.08 O ATOM 229 CG2 THR A 14 6.256 -9.686 -1.364 1.00 1.03 C ATOM 0 H THR A 14 2.307 -10.595 -2.458 1.00 0.55 H new ATOM 0 HA THR A 14 3.869 -8.754 -0.822 1.00 0.54 H new ATOM 0 HB THR A 14 4.898 -10.989 -2.418 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.208 -10.813 0.365 1.00 1.08 H new ATOM 0 HG21 THR A 14 7.019 -10.451 -1.222 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.487 -9.104 -2.256 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.237 -9.027 -0.496 1.00 1.03 H new ATOM 237 N LEU A 15 4.453 -7.257 -2.835 1.00 0.50 N ATOM 238 CA LEU A 15 4.879 -6.471 -3.952 1.00 0.55 C ATOM 239 C LEU A 15 6.365 -6.351 -3.948 1.00 0.52 C ATOM 240 O LEU A 15 7.050 -6.086 -2.962 1.00 0.58 O ATOM 241 CB LEU A 15 4.227 -5.093 -3.746 1.00 0.69 C ATOM 242 CG LEU A 15 2.691 -5.042 -3.750 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.262 -3.586 -3.503 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.158 -5.568 -5.095 1.00 1.55 C ATOM 0 H LEU A 15 4.528 -6.770 -1.942 1.00 0.50 H new ATOM 0 HA LEU A 15 4.593 -6.915 -4.906 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.577 -4.691 -2.795 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.590 -4.426 -4.527 1.00 0.69 H new ATOM 0 HG LEU A 15 2.277 -5.674 -2.964 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.174 -3.523 -3.501 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.647 -3.252 -2.539 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.661 -2.950 -4.293 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.069 -5.530 -5.094 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.542 -4.949 -5.906 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.485 -6.598 -5.239 1.00 1.55 H new ATOM 256 N GLU A 16 6.968 -6.496 -5.141 1.00 0.59 N ATOM 257 CA GLU A 16 8.307 -6.037 -5.347 1.00 0.63 C ATOM 258 C GLU A 16 8.238 -4.625 -5.817 1.00 0.65 C ATOM 259 O GLU A 16 7.485 -4.135 -6.658 1.00 0.81 O ATOM 260 CB GLU A 16 8.921 -6.881 -6.476 1.00 0.76 C ATOM 261 CG GLU A 16 9.373 -8.262 -5.998 1.00 1.41 C ATOM 262 CD GLU A 16 10.315 -9.025 -6.918 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.329 -8.454 -7.399 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.080 -10.236 -7.177 1.00 1.95 O ATOM 0 H GLU A 16 6.533 -6.927 -5.957 1.00 0.59 H new ATOM 0 HA GLU A 16 8.895 -6.116 -4.433 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.190 -6.999 -7.276 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.774 -6.350 -6.899 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.862 -8.145 -5.031 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.486 -8.874 -5.835 1.00 1.41 H new ATOM 271 N VAL A 17 9.007 -3.850 -5.031 1.00 0.61 N ATOM 272 CA VAL A 17 9.112 -2.424 -5.056 1.00 0.63 C ATOM 273 C VAL A 17 10.520 -1.935 -5.054 1.00 0.65 C ATOM 274 O VAL A 17 11.464 -2.489 -4.493 1.00 0.76 O ATOM 275 CB VAL A 17 8.312 -1.863 -3.918 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.828 -2.255 -4.012 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.870 -2.398 -2.588 1.00 0.92 C ATOM 0 H VAL A 17 9.608 -4.260 -4.315 1.00 0.61 H new ATOM 0 HA VAL A 17 8.702 -2.066 -6.000 1.00 0.63 H new ATOM 0 HB VAL A 17 8.389 -0.777 -3.968 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.285 -1.828 -3.169 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.409 -1.874 -4.944 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.736 -3.341 -3.990 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.290 -1.991 -1.760 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.804 -3.486 -2.577 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.912 -2.097 -2.483 1.00 0.92 H new ATOM 287 N GLU A 18 10.721 -0.741 -5.637 1.00 0.68 N ATOM 288 CA GLU A 18 11.941 -0.004 -5.516 1.00 0.74 C ATOM 289 C GLU A 18 11.704 1.037 -4.477 1.00 0.71 C ATOM 290 O GLU A 18 10.571 1.517 -4.477 1.00 0.74 O ATOM 291 CB GLU A 18 12.330 0.492 -6.919 1.00 0.88 C ATOM 292 CG GLU A 18 13.694 1.173 -7.048 1.00 1.16 C ATOM 293 CD GLU A 18 14.819 0.156 -7.176 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.198 -0.523 -6.185 1.00 2.33 O ATOM 295 OE2 GLU A 18 15.299 0.004 -8.330 1.00 2.35 O ATOM 0 H GLU A 18 10.017 -0.274 -6.208 1.00 0.68 H new ATOM 0 HA GLU A 18 12.803 -0.578 -5.176 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.308 -0.359 -7.600 1.00 0.88 H new ATOM 0 HB3 GLU A 18 11.566 1.192 -7.258 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.693 1.827 -7.920 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.870 1.803 -6.176 1.00 1.16 H new ATOM 302 N PRO A 19 12.550 1.517 -3.616 1.00 0.74 N ATOM 303 CA PRO A 19 12.117 2.385 -2.559 1.00 0.74 C ATOM 304 C PRO A 19 11.976 3.744 -3.153 1.00 0.70 C ATOM 305 O PRO A 19 11.685 4.731 -2.479 1.00 0.74 O ATOM 306 CB PRO A 19 13.253 2.252 -1.548 1.00 0.86 C ATOM 307 CG PRO A 19 14.481 1.744 -2.320 1.00 0.95 C ATOM 308 CD PRO A 19 13.788 0.809 -3.325 1.00 0.82 C ATOM 0 HA PRO A 19 11.161 2.164 -2.084 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.464 3.211 -1.076 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.983 1.558 -0.753 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.030 2.549 -2.808 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.189 1.218 -1.680 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.390 0.660 -4.221 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.601 -0.177 -2.899 1.00 0.82 H new ATOM 316 N SER A 20 12.356 3.893 -4.434 1.00 0.70 N ATOM 317 CA SER A 20 12.194 5.115 -5.161 1.00 0.74 C ATOM 318 C SER A 20 10.841 5.220 -5.774 1.00 0.71 C ATOM 319 O SER A 20 10.308 6.308 -5.988 1.00 0.80 O ATOM 320 CB SER A 20 13.310 5.455 -6.165 1.00 0.89 C ATOM 321 OG SER A 20 13.390 4.521 -7.231 1.00 1.45 O ATOM 0 H SER A 20 12.787 3.146 -4.979 1.00 0.70 H new ATOM 0 HA SER A 20 12.291 5.887 -4.398 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.136 6.451 -6.572 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.266 5.487 -5.643 1.00 0.89 H new ATOM 0 HG SER A 20 14.111 4.782 -7.841 1.00 1.45 H new ATOM 327 N ASP A 21 10.106 4.101 -5.904 1.00 0.70 N ATOM 328 CA ASP A 21 8.758 3.988 -6.368 1.00 0.73 C ATOM 329 C ASP A 21 7.810 4.732 -5.494 1.00 0.64 C ATOM 330 O ASP A 21 7.958 4.911 -4.285 1.00 0.66 O ATOM 331 CB ASP A 21 8.316 2.524 -6.534 1.00 0.87 C ATOM 332 CG ASP A 21 8.980 1.790 -7.693 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.412 2.373 -8.723 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.886 0.534 -7.664 1.00 1.69 O ATOM 0 H ASP A 21 10.495 3.190 -5.660 1.00 0.70 H new ATOM 0 HA ASP A 21 8.735 4.447 -7.357 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.530 1.986 -5.610 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.236 2.498 -6.675 1.00 0.87 H new ATOM 339 N THR A 22 6.872 5.464 -6.122 1.00 0.63 N ATOM 340 CA THR A 22 5.902 6.188 -5.361 1.00 0.58 C ATOM 341 C THR A 22 4.813 5.312 -4.846 1.00 0.53 C ATOM 342 O THR A 22 4.417 4.306 -5.434 1.00 0.58 O ATOM 343 CB THR A 22 5.336 7.330 -6.151 1.00 0.63 C ATOM 344 OG1 THR A 22 4.612 6.894 -7.292 1.00 0.70 O ATOM 345 CG2 THR A 22 6.446 8.246 -6.695 1.00 0.75 C ATOM 0 H THR A 22 6.785 5.554 -7.134 1.00 0.63 H new ATOM 0 HA THR A 22 6.425 6.593 -4.494 1.00 0.58 H new ATOM 0 HB THR A 22 4.684 7.854 -5.453 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.261 7.672 -7.774 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.999 9.062 -7.262 1.00 0.75 H new ATOM 0 HG22 THR A 22 7.021 8.654 -5.864 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.106 7.671 -7.345 1.00 0.75 H new ATOM 353 N ILE A 23 4.118 5.871 -3.839 1.00 0.51 N ATOM 354 CA ILE A 23 2.937 5.233 -3.343 1.00 0.48 C ATOM 355 C ILE A 23 1.859 5.173 -4.370 1.00 0.48 C ATOM 356 O ILE A 23 1.210 4.150 -4.585 1.00 0.51 O ATOM 357 CB ILE A 23 2.364 5.934 -2.147 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.397 6.223 -1.045 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.100 5.258 -1.591 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.937 4.971 -0.357 1.00 0.73 C ATOM 0 H ILE A 23 4.366 6.746 -3.376 1.00 0.51 H new ATOM 0 HA ILE A 23 3.259 4.229 -3.069 1.00 0.48 H new ATOM 0 HB ILE A 23 2.051 6.906 -2.527 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.231 6.775 -1.478 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.942 6.870 -0.295 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.739 5.816 -0.728 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.328 5.240 -2.361 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.336 4.237 -1.290 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.659 5.259 0.407 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.114 4.428 0.108 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.423 4.332 -1.094 1.00 0.73 H new ATOM 372 N GLU A 24 1.585 6.249 -5.128 1.00 0.50 N ATOM 373 CA GLU A 24 0.909 6.163 -6.385 1.00 0.53 C ATOM 374 C GLU A 24 1.192 4.968 -7.227 1.00 0.50 C ATOM 375 O GLU A 24 0.269 4.228 -7.562 1.00 0.55 O ATOM 376 CB GLU A 24 0.801 7.497 -7.143 1.00 0.64 C ATOM 377 CG GLU A 24 -0.018 7.466 -8.435 1.00 0.95 C ATOM 378 CD GLU A 24 0.145 8.788 -9.171 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.978 9.639 -8.759 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.492 8.864 -10.255 1.00 1.56 O ATOM 0 H GLU A 24 1.839 7.200 -4.862 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.114 5.947 -6.076 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.362 8.238 -6.475 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.808 7.840 -7.382 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.312 6.642 -9.068 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.070 7.291 -8.207 1.00 0.95 H new ATOM 387 N ASN A 25 2.425 4.642 -7.659 1.00 0.51 N ATOM 388 CA ASN A 25 2.782 3.542 -8.500 1.00 0.52 C ATOM 389 C ASN A 25 2.645 2.185 -7.903 1.00 0.47 C ATOM 390 O ASN A 25 2.389 1.170 -8.549 1.00 0.53 O ATOM 391 CB ASN A 25 4.185 3.585 -9.131 1.00 0.64 C ATOM 392 CG ASN A 25 4.185 4.518 -10.334 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.429 4.194 -11.495 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.985 5.828 -10.030 1.00 1.57 N ATOM 0 H ASN A 25 3.239 5.197 -7.396 1.00 0.51 H new ATOM 0 HA ASN A 25 2.025 3.694 -9.269 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.914 3.926 -8.395 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.486 2.583 -9.437 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.038 6.535 -10.763 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.782 6.103 -9.069 1.00 1.57 H new ATOM 401 N VAL A 26 2.901 2.053 -6.588 1.00 0.45 N ATOM 402 CA VAL A 26 2.556 0.959 -5.735 1.00 0.44 C ATOM 403 C VAL A 26 1.118 0.571 -5.684 1.00 0.40 C ATOM 404 O VAL A 26 0.798 -0.612 -5.791 1.00 0.44 O ATOM 405 CB VAL A 26 3.027 1.152 -4.324 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.631 -0.022 -3.412 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.563 1.103 -4.374 1.00 0.62 C ATOM 0 H VAL A 26 3.397 2.783 -6.077 1.00 0.45 H new ATOM 0 HA VAL A 26 3.085 0.141 -6.223 1.00 0.44 H new ATOM 0 HB VAL A 26 2.598 2.079 -3.942 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.994 0.164 -2.401 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.546 -0.120 -3.395 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.072 -0.943 -3.792 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.964 1.239 -3.370 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.884 0.138 -4.766 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.931 1.898 -5.022 1.00 0.62 H new ATOM 417 N LYS A 27 0.165 1.515 -5.582 1.00 0.40 N ATOM 418 CA LYS A 27 -1.259 1.390 -5.599 1.00 0.41 C ATOM 419 C LYS A 27 -1.692 0.659 -6.822 1.00 0.38 C ATOM 420 O LYS A 27 -2.441 -0.315 -6.868 1.00 0.42 O ATOM 421 CB LYS A 27 -2.031 2.711 -5.442 1.00 0.51 C ATOM 422 CG LYS A 27 -2.046 3.176 -3.985 1.00 0.76 C ATOM 423 CD LYS A 27 -3.096 4.272 -3.790 1.00 0.82 C ATOM 424 CE LYS A 27 -2.603 5.682 -4.118 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.769 6.579 -3.953 1.00 1.11 N ATOM 0 H LYS A 27 0.434 2.493 -5.474 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.515 0.816 -4.708 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.573 3.479 -6.066 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.054 2.581 -5.795 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.264 2.333 -3.329 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.062 3.552 -3.706 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.960 4.047 -4.416 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.438 4.251 -2.755 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.790 5.974 -3.453 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.215 5.731 -5.136 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.992 7.030 -4.863 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.589 6.027 -3.630 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.547 7.312 -3.249 1.00 1.11 H new ATOM 439 N ALA A 28 -1.178 1.112 -7.979 1.00 0.39 N ATOM 440 CA ALA A 28 -1.402 0.585 -9.289 1.00 0.39 C ATOM 441 C ALA A 28 -0.949 -0.828 -9.431 1.00 0.36 C ATOM 442 O ALA A 28 -1.488 -1.564 -10.256 1.00 0.42 O ATOM 443 CB ALA A 28 -0.678 1.317 -10.432 1.00 0.51 C ATOM 0 H ALA A 28 -0.552 1.917 -7.997 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.482 0.705 -9.379 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.917 0.836 -11.381 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.002 2.357 -10.461 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.398 1.277 -10.266 1.00 0.51 H new ATOM 449 N LYS A 29 0.035 -1.339 -8.670 1.00 0.39 N ATOM 450 CA LYS A 29 0.416 -2.717 -8.661 1.00 0.43 C ATOM 451 C LYS A 29 -0.650 -3.577 -8.075 1.00 0.44 C ATOM 452 O LYS A 29 -0.881 -4.639 -8.653 1.00 0.54 O ATOM 453 CB LYS A 29 1.755 -3.030 -7.972 1.00 0.54 C ATOM 454 CG LYS A 29 2.957 -2.564 -8.795 1.00 0.65 C ATOM 455 CD LYS A 29 4.255 -2.873 -8.046 1.00 1.08 C ATOM 456 CE LYS A 29 5.438 -2.326 -8.847 1.00 1.24 C ATOM 457 NZ LYS A 29 5.614 -2.929 -10.187 1.00 1.44 N ATOM 0 H LYS A 29 0.589 -0.767 -8.033 1.00 0.39 H new ATOM 0 HA LYS A 29 0.557 -2.948 -9.717 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.779 -2.548 -6.994 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.830 -4.104 -7.800 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.959 -3.062 -9.765 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.884 -1.493 -8.987 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.233 -2.423 -7.054 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.361 -3.949 -7.906 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.313 -1.249 -8.962 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.351 -2.481 -8.272 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.510 -2.601 -10.600 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.631 -3.965 -10.102 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 4.825 -2.645 -10.802 1.00 1.44 H new ATOM 471 N ILE A 30 -1.398 -3.114 -7.058 1.00 0.41 N ATOM 472 CA ILE A 30 -2.507 -3.908 -6.629 1.00 0.44 C ATOM 473 C ILE A 30 -3.621 -3.902 -7.618 1.00 0.45 C ATOM 474 O ILE A 30 -4.414 -4.843 -7.624 1.00 0.56 O ATOM 475 CB ILE A 30 -2.934 -3.527 -5.243 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.676 -3.501 -4.358 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.993 -4.513 -4.722 1.00 0.56 C ATOM 478 CD1 ILE A 30 -2.010 -2.928 -2.981 1.00 1.32 C ATOM 0 H ILE A 30 -1.249 -2.239 -6.556 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.179 -4.946 -6.578 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.399 -2.541 -5.232 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.276 -4.509 -4.253 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.901 -2.898 -4.832 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.294 -4.225 -3.715 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.862 -4.495 -5.380 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.574 -5.519 -4.702 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.111 -2.915 -2.364 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.389 -1.912 -3.092 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.769 -3.548 -2.503 1.00 1.32 H new ATOM 490 N GLN A 31 -3.731 -2.830 -8.423 1.00 0.41 N ATOM 491 CA GLN A 31 -4.763 -2.708 -9.405 1.00 0.48 C ATOM 492 C GLN A 31 -4.574 -3.701 -10.501 1.00 0.52 C ATOM 493 O GLN A 31 -5.562 -4.272 -10.962 1.00 0.66 O ATOM 494 CB GLN A 31 -4.766 -1.281 -9.978 1.00 0.52 C ATOM 495 CG GLN A 31 -5.863 -1.021 -11.012 1.00 0.70 C ATOM 496 CD GLN A 31 -5.905 0.409 -11.534 1.00 0.97 C ATOM 497 OE1 GLN A 31 -7.026 0.910 -11.473 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.776 0.992 -12.019 1.00 1.43 N ATOM 0 H GLN A 31 -3.093 -2.035 -8.391 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.722 -2.908 -8.928 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.881 -0.573 -9.158 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.797 -1.084 -10.436 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.721 -1.699 -11.854 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.829 -1.262 -10.568 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.896 0.477 -12.019 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.810 1.945 -12.382 1.00 1.43 H new ATOM 507 N ASP A 32 -3.325 -3.973 -10.918 1.00 0.50 N ATOM 508 CA ASP A 32 -3.019 -4.968 -11.899 1.00 0.60 C ATOM 509 C ASP A 32 -3.502 -6.313 -11.480 1.00 0.65 C ATOM 510 O ASP A 32 -4.089 -7.088 -12.234 1.00 0.81 O ATOM 511 CB ASP A 32 -1.564 -5.015 -12.397 1.00 0.67 C ATOM 512 CG ASP A 32 -0.928 -3.732 -12.912 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.524 -3.073 -13.807 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.195 -3.399 -12.448 1.00 1.51 O ATOM 0 H ASP A 32 -2.502 -3.486 -10.562 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.576 -4.643 -12.778 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.946 -5.385 -11.579 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.512 -5.754 -13.196 1.00 0.67 H new ATOM 519 N LYS A 33 -3.230 -6.602 -10.195 1.00 0.62 N ATOM 520 CA LYS A 33 -3.357 -7.808 -9.437 1.00 0.73 C ATOM 521 C LYS A 33 -4.717 -8.037 -8.872 1.00 0.69 C ATOM 522 O LYS A 33 -5.361 -8.919 -9.438 1.00 0.83 O ATOM 523 CB LYS A 33 -2.258 -7.787 -8.361 1.00 0.85 C ATOM 524 CG LYS A 33 -2.070 -9.151 -7.692 1.00 1.31 C ATOM 525 CD LYS A 33 -0.973 -9.119 -6.626 1.00 1.71 C ATOM 526 CE LYS A 33 0.494 -8.865 -6.982 1.00 2.26 C ATOM 527 NZ LYS A 33 1.006 -9.911 -7.896 1.00 2.62 N ATOM 0 H LYS A 33 -2.861 -5.863 -9.597 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.225 -8.661 -10.102 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.317 -7.474 -8.813 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.510 -7.045 -7.603 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -3.009 -9.464 -7.236 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.819 -9.895 -8.448 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.258 -8.354 -5.903 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.010 -10.077 -6.108 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.594 -7.886 -7.451 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.095 -8.846 -6.073 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.002 -9.717 -8.123 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.930 -10.841 -7.436 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.445 -9.911 -8.772 1.00 2.62 H new ATOM 541 N GLU A 34 -5.105 -7.417 -7.744 1.00 0.63 N ATOM 542 CA GLU A 34 -6.325 -7.713 -7.057 1.00 0.67 C ATOM 543 C GLU A 34 -7.477 -7.066 -7.747 1.00 0.69 C ATOM 544 O GLU A 34 -8.587 -7.584 -7.855 1.00 0.95 O ATOM 545 CB GLU A 34 -6.417 -7.328 -5.571 1.00 0.73 C ATOM 546 CG GLU A 34 -5.356 -8.137 -4.821 1.00 0.83 C ATOM 547 CD GLU A 34 -5.793 -9.583 -4.627 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.989 -9.727 -4.259 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.977 -10.532 -4.773 1.00 1.48 O ATOM 0 H GLU A 34 -4.553 -6.686 -7.295 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.349 -8.802 -7.086 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.248 -6.259 -5.440 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.411 -7.543 -5.180 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.417 -8.110 -5.375 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.167 -7.679 -3.850 1.00 0.83 H new ATOM 556 N GLY A 35 -7.214 -5.949 -8.448 1.00 0.63 N ATOM 557 CA GLY A 35 -8.110 -5.276 -9.336 1.00 0.68 C ATOM 558 C GLY A 35 -8.874 -4.265 -8.551 1.00 0.76 C ATOM 559 O GLY A 35 -10.028 -3.966 -8.852 1.00 1.12 O ATOM 0 H GLY A 35 -6.309 -5.483 -8.389 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.556 -4.793 -10.140 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.791 -5.989 -9.801 1.00 0.68 H new ATOM 563 N ILE A 36 -8.266 -3.745 -7.470 1.00 0.70 N ATOM 564 CA ILE A 36 -8.865 -2.766 -6.616 1.00 0.76 C ATOM 565 C ILE A 36 -8.366 -1.468 -7.151 1.00 0.71 C ATOM 566 O ILE A 36 -7.156 -1.276 -7.264 1.00 0.73 O ATOM 567 CB ILE A 36 -8.476 -2.855 -5.170 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.858 -4.217 -4.565 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.061 -1.698 -4.344 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.018 -4.610 -3.350 1.00 1.16 C ATOM 0 H ILE A 36 -7.326 -4.015 -7.180 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.946 -2.902 -6.624 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.390 -2.765 -5.129 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.909 -4.194 -4.276 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.755 -4.986 -5.331 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.754 -1.802 -3.303 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.695 -0.749 -4.737 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.149 -1.721 -4.405 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.346 -5.581 -2.980 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.968 -4.667 -3.637 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.140 -3.863 -2.566 1.00 1.16 H new ATOM 582 N PRO A 37 -9.259 -0.588 -7.495 1.00 0.75 N ATOM 583 CA PRO A 37 -8.762 0.689 -7.917 1.00 0.79 C ATOM 584 C PRO A 37 -8.004 1.427 -6.869 1.00 0.75 C ATOM 585 O PRO A 37 -8.434 1.373 -5.718 1.00 0.75 O ATOM 586 CB PRO A 37 -10.040 1.495 -8.133 1.00 0.95 C ATOM 587 CG PRO A 37 -11.015 0.465 -8.725 1.00 1.02 C ATOM 588 CD PRO A 37 -10.652 -0.763 -7.874 1.00 0.85 C ATOM 0 HA PRO A 37 -8.092 0.557 -8.767 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.415 1.912 -7.198 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.877 2.331 -8.813 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.057 0.761 -8.607 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.850 0.298 -9.789 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.291 -0.831 -6.993 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.790 -1.685 -8.439 1.00 0.85 H new ATOM 596 N PRO A 38 -6.993 2.177 -7.196 1.00 0.81 N ATOM 597 CA PRO A 38 -6.125 2.870 -6.290 1.00 0.85 C ATOM 598 C PRO A 38 -6.821 3.953 -5.540 1.00 0.89 C ATOM 599 O PRO A 38 -6.483 4.381 -4.437 1.00 0.99 O ATOM 600 CB PRO A 38 -5.117 3.599 -7.178 1.00 1.01 C ATOM 601 CG PRO A 38 -4.970 2.783 -8.472 1.00 1.25 C ATOM 602 CD PRO A 38 -6.394 2.206 -8.521 1.00 0.98 C ATOM 0 HA PRO A 38 -5.713 2.151 -5.582 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.460 4.610 -7.399 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.156 3.692 -6.672 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.730 3.399 -9.339 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.201 2.014 -8.405 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.011 2.807 -9.189 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.367 1.197 -8.933 1.00 0.98 H new ATOM 610 N ASP A 39 -7.946 4.465 -6.069 1.00 0.96 N ATOM 611 CA ASP A 39 -8.917 5.372 -5.538 1.00 1.11 C ATOM 612 C ASP A 39 -9.559 4.823 -4.312 1.00 1.00 C ATOM 613 O ASP A 39 -9.989 5.532 -3.403 1.00 1.14 O ATOM 614 CB ASP A 39 -9.933 5.808 -6.607 1.00 1.39 C ATOM 615 CG ASP A 39 -9.218 6.787 -7.528 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.217 8.026 -7.304 1.00 2.25 O ATOM 617 OD2 ASP A 39 -8.679 6.343 -8.576 1.00 2.23 O ATOM 0 H ASP A 39 -8.209 4.197 -7.017 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.396 6.279 -5.232 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.297 4.947 -7.167 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.801 6.277 -6.145 1.00 1.39 H new ATOM 622 N GLN A 40 -9.659 3.481 -4.333 1.00 0.87 N ATOM 623 CA GLN A 40 -10.265 2.725 -3.282 1.00 0.84 C ATOM 624 C GLN A 40 -9.259 2.178 -2.328 1.00 0.67 C ATOM 625 O GLN A 40 -9.608 1.499 -1.365 1.00 0.80 O ATOM 626 CB GLN A 40 -11.085 1.532 -3.801 1.00 0.95 C ATOM 627 CG GLN A 40 -12.281 1.951 -4.658 1.00 1.32 C ATOM 628 CD GLN A 40 -13.045 0.666 -4.942 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.540 -0.450 -5.052 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.381 0.880 -5.087 1.00 2.02 N ATOM 0 H GLN A 40 -9.309 2.908 -5.101 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.921 3.437 -2.780 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.436 0.881 -4.387 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.441 0.947 -2.953 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.907 2.672 -4.133 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.954 2.426 -5.583 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.760 1.822 -4.988 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -15.003 0.099 -5.295 1.00 2.02 H new ATOM 639 N GLN A 41 -7.951 2.446 -2.488 1.00 0.56 N ATOM 640 CA GLN A 41 -6.881 1.945 -1.683 1.00 0.51 C ATOM 641 C GLN A 41 -6.419 2.953 -0.687 1.00 0.49 C ATOM 642 O GLN A 41 -5.628 3.845 -0.994 1.00 0.65 O ATOM 643 CB GLN A 41 -5.700 1.571 -2.595 1.00 0.67 C ATOM 644 CG GLN A 41 -6.103 0.445 -3.549 1.00 0.69 C ATOM 645 CD GLN A 41 -4.936 -0.074 -4.376 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.853 -0.266 -3.824 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.039 -0.234 -5.722 1.00 0.61 N ATOM 0 H GLN A 41 -7.619 3.057 -3.234 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.247 1.073 -1.141 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.381 2.444 -3.165 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.849 1.257 -1.990 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.529 -0.377 -2.974 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.885 0.804 -4.218 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -5.933 -0.077 -6.187 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.222 -0.511 -6.267 1.00 0.61 H new ATOM 656 N ARG A 42 -6.847 2.847 0.584 1.00 0.47 N ATOM 657 CA ARG A 42 -6.272 3.614 1.644 1.00 0.55 C ATOM 658 C ARG A 42 -5.231 2.818 2.355 1.00 0.46 C ATOM 659 O ARG A 42 -5.519 1.978 3.206 1.00 0.52 O ATOM 660 CB ARG A 42 -7.368 4.067 2.623 1.00 0.73 C ATOM 661 CG ARG A 42 -8.473 4.955 2.048 1.00 1.04 C ATOM 662 CD ARG A 42 -9.518 5.577 2.977 1.00 1.28 C ATOM 663 NE ARG A 42 -9.246 7.021 3.221 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.269 7.813 3.657 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.524 7.420 4.026 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.973 9.135 3.813 1.00 2.78 N ATOM 0 H ARG A 42 -7.599 2.224 0.879 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.797 4.499 1.220 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.832 3.178 3.050 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.892 4.603 3.444 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.987 5.772 1.514 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -9.010 4.364 1.306 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -10.509 5.462 2.539 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -9.525 5.042 3.927 1.00 1.28 H new ATOM 0 HE ARG A 42 -8.316 7.410 3.066 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -11.780 6.433 3.991 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.205 8.113 4.336 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.034 9.475 3.607 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.691 9.784 4.136 1.00 2.78 H new ATOM 680 N LEU A 43 -3.971 3.022 1.930 1.00 0.46 N ATOM 681 CA LEU A 43 -2.804 2.389 2.461 1.00 0.42 C ATOM 682 C LEU A 43 -2.428 2.903 3.809 1.00 0.43 C ATOM 683 O LEU A 43 -2.360 4.121 3.963 1.00 0.55 O ATOM 684 CB LEU A 43 -1.602 2.448 1.503 1.00 0.55 C ATOM 685 CG LEU A 43 -1.747 1.769 0.131 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.568 2.107 -0.796 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.077 0.275 0.287 1.00 1.12 C ATOM 0 H LEU A 43 -3.755 3.668 1.170 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.080 1.341 2.575 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.359 3.497 1.334 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.747 2.001 2.010 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.610 2.183 -0.391 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.706 1.609 -1.756 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.523 3.185 -0.949 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.362 1.766 -0.341 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.174 -0.181 -0.698 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.277 -0.219 0.838 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -3.014 0.164 0.832 1.00 1.12 H new ATOM 699 N ILE A 44 -2.222 2.109 4.875 1.00 0.42 N ATOM 700 CA ILE A 44 -1.775 2.560 6.157 1.00 0.46 C ATOM 701 C ILE A 44 -0.467 1.925 6.482 1.00 0.42 C ATOM 702 O ILE A 44 -0.288 0.730 6.252 1.00 0.53 O ATOM 703 CB ILE A 44 -2.775 2.262 7.234 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.257 2.428 6.854 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.327 3.089 8.450 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.730 3.812 6.412 1.00 1.27 C ATOM 0 H ILE A 44 -2.375 1.101 4.841 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.658 3.643 6.111 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.769 1.194 7.454 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.477 1.727 6.049 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.858 2.127 7.712 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.015 2.920 9.278 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.322 2.787 8.745 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.326 4.147 8.190 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.794 3.775 6.177 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.561 4.528 7.216 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.173 4.121 5.527 1.00 1.27 H new ATOM 718 N PHE A 45 0.543 2.647 7.000 1.00 0.42 N ATOM 719 CA PHE A 45 1.810 2.140 7.427 1.00 0.46 C ATOM 720 C PHE A 45 1.973 2.515 8.859 1.00 0.68 C ATOM 721 O PHE A 45 2.131 3.695 9.172 1.00 1.50 O ATOM 722 CB PHE A 45 2.927 2.687 6.522 1.00 0.56 C ATOM 723 CG PHE A 45 4.256 2.146 6.925 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.499 0.796 6.823 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.222 2.922 7.519 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.726 0.255 7.125 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.448 2.416 7.881 1.00 1.33 C ATOM 728 CZ PHE A 45 6.692 1.082 7.648 1.00 1.02 C ATOM 0 H PHE A 45 0.468 3.656 7.129 1.00 0.42 H new ATOM 0 HA PHE A 45 1.867 1.055 7.343 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.722 2.422 5.485 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.942 3.776 6.575 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.703 0.143 6.496 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.011 3.964 7.708 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.926 -0.793 6.956 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.198 3.047 8.335 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.665 0.675 7.881 1.00 1.02 H new ATOM 738 N ALA A 46 1.744 1.579 9.796 1.00 0.81 N ATOM 739 CA ALA A 46 1.878 1.782 11.206 1.00 0.96 C ATOM 740 C ALA A 46 0.693 2.519 11.728 1.00 0.97 C ATOM 741 O ALA A 46 -0.335 1.951 12.094 1.00 1.21 O ATOM 742 CB ALA A 46 3.218 2.327 11.728 1.00 1.20 C ATOM 0 H ALA A 46 1.450 0.632 9.559 1.00 0.81 H new ATOM 0 HA ALA A 46 1.903 0.777 11.626 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.172 2.429 12.812 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.019 1.638 11.462 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.414 3.301 11.280 1.00 1.20 H new ATOM 748 N GLY A 47 0.848 3.855 11.744 1.00 0.99 N ATOM 749 CA GLY A 47 -0.154 4.738 12.256 1.00 1.10 C ATOM 750 C GLY A 47 -0.136 5.904 11.329 1.00 1.03 C ATOM 751 O GLY A 47 -0.717 6.953 11.605 1.00 1.30 O ATOM 0 H GLY A 47 1.681 4.330 11.396 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.133 4.260 12.272 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.070 5.041 13.279 1.00 1.10 H new ATOM 755 N LYS A 48 0.384 5.725 10.102 1.00 0.98 N ATOM 756 CA LYS A 48 0.458 6.717 9.075 1.00 1.05 C ATOM 757 C LYS A 48 -0.436 6.390 7.929 1.00 0.84 C ATOM 758 O LYS A 48 -0.304 5.360 7.269 1.00 0.81 O ATOM 759 CB LYS A 48 1.863 6.955 8.496 1.00 1.42 C ATOM 760 CG LYS A 48 2.813 7.421 9.601 1.00 1.61 C ATOM 761 CD LYS A 48 4.111 7.995 9.028 1.00 1.87 C ATOM 762 CE LYS A 48 4.949 8.604 10.154 1.00 2.22 C ATOM 763 NZ LYS A 48 6.343 8.794 9.693 1.00 2.55 N ATOM 0 H LYS A 48 0.777 4.831 9.809 1.00 0.98 H new ATOM 0 HA LYS A 48 0.144 7.626 9.587 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.240 6.037 8.045 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.817 7.704 7.705 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.319 8.177 10.211 1.00 1.61 H new ATOM 0 HG3 LYS A 48 3.045 6.583 10.259 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.676 7.210 8.525 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.885 8.754 8.279 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.524 9.560 10.460 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.930 7.952 11.027 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.909 9.208 10.461 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.747 7.875 9.421 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.353 9.433 8.872 1.00 2.55 H new ATOM 777 N GLN A 49 -1.369 7.323 7.667 1.00 0.84 N ATOM 778 CA GLN A 49 -2.185 7.438 6.498 1.00 0.80 C ATOM 779 C GLN A 49 -1.354 7.992 5.392 1.00 0.72 C ATOM 780 O GLN A 49 -0.912 9.130 5.548 1.00 0.83 O ATOM 781 CB GLN A 49 -3.502 8.159 6.833 1.00 1.03 C ATOM 782 CG GLN A 49 -4.582 7.553 7.731 1.00 1.67 C ATOM 783 CD GLN A 49 -4.144 7.519 9.188 1.00 1.92 C ATOM 784 OE1 GLN A 49 -4.063 8.561 9.838 1.00 2.24 O ATOM 785 NE2 GLN A 49 -3.976 6.299 9.767 1.00 2.48 N ATOM 0 H GLN A 49 -1.569 8.065 8.338 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.530 6.473 6.126 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.226 9.113 7.283 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.982 8.383 5.880 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.500 8.134 7.640 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.810 6.541 7.395 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.049 5.452 9.203 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -3.777 6.231 10.765 1.00 2.48 H new ATOM 794 N LEU A 50 -1.083 7.221 4.324 1.00 0.69 N ATOM 795 CA LEU A 50 -0.029 7.596 3.434 1.00 0.66 C ATOM 796 C LEU A 50 -0.582 8.452 2.348 1.00 0.72 C ATOM 797 O LEU A 50 -1.735 8.400 1.923 1.00 0.90 O ATOM 798 CB LEU A 50 0.511 6.350 2.712 1.00 0.65 C ATOM 799 CG LEU A 50 1.233 5.316 3.592 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.767 4.211 2.666 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.236 5.967 4.560 1.00 0.74 C ATOM 0 H LEU A 50 -1.577 6.362 4.081 1.00 0.69 H new ATOM 0 HA LEU A 50 0.740 8.101 4.019 1.00 0.66 H new ATOM 0 HB2 LEU A 50 -0.322 5.854 2.214 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.199 6.677 1.932 1.00 0.65 H new ATOM 0 HG LEU A 50 0.552 4.832 4.293 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.286 3.459 3.259 1.00 0.77 H new ATOM 0 HD12 LEU A 50 0.935 3.746 2.138 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.459 4.644 1.944 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.719 5.194 5.158 1.00 0.74 H new ATOM 0 HD22 LEU A 50 2.991 6.510 3.991 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.710 6.659 5.218 1.00 0.74 H new ATOM 813 N GLU A 51 0.266 9.404 1.916 1.00 0.70 N ATOM 814 CA GLU A 51 0.044 10.303 0.827 1.00 0.76 C ATOM 815 C GLU A 51 0.400 9.697 -0.488 1.00 0.77 C ATOM 816 O GLU A 51 1.038 8.649 -0.573 1.00 1.23 O ATOM 817 CB GLU A 51 0.721 11.684 0.870 1.00 0.88 C ATOM 818 CG GLU A 51 0.198 12.516 2.042 1.00 1.35 C ATOM 819 CD GLU A 51 0.917 13.847 2.210 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.932 14.075 1.500 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.414 14.656 3.034 1.00 1.94 O ATOM 0 H GLU A 51 1.171 9.554 2.361 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.025 10.480 0.945 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.800 11.561 0.960 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.537 12.212 -0.066 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.866 12.703 1.899 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.299 11.939 2.961 1.00 1.35 H new ATOM 828 N ASP A 52 -0.009 10.243 -1.646 1.00 0.66 N ATOM 829 CA ASP A 52 0.098 9.548 -2.891 1.00 0.65 C ATOM 830 C ASP A 52 1.390 9.769 -3.601 1.00 0.60 C ATOM 831 O ASP A 52 1.983 8.741 -3.924 1.00 0.62 O ATOM 832 CB ASP A 52 -1.138 9.959 -3.709 1.00 0.81 C ATOM 833 CG ASP A 52 -2.470 9.880 -2.978 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.752 8.721 -2.573 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.242 10.859 -2.800 1.00 1.44 O ATOM 0 H ASP A 52 -0.418 11.175 -1.720 1.00 0.66 H new ATOM 0 HA ASP A 52 0.112 8.471 -2.727 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.996 10.982 -4.058 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.192 9.325 -4.594 1.00 0.81 H new ATOM 840 N GLY A 53 1.805 11.028 -3.835 1.00 0.68 N ATOM 841 CA GLY A 53 3.075 11.291 -4.437 1.00 0.73 C ATOM 842 C GLY A 53 4.321 11.198 -3.625 1.00 0.72 C ATOM 843 O GLY A 53 5.354 11.648 -4.119 1.00 0.97 O ATOM 0 H GLY A 53 1.262 11.861 -3.608 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.184 10.604 -5.276 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.034 12.298 -4.852 1.00 0.73 H new ATOM 847 N ARG A 54 4.256 10.510 -2.472 1.00 0.64 N ATOM 848 CA ARG A 54 5.410 10.138 -1.714 1.00 0.63 C ATOM 849 C ARG A 54 6.153 8.945 -2.210 1.00 0.59 C ATOM 850 O ARG A 54 5.582 8.065 -2.851 1.00 0.62 O ATOM 851 CB ARG A 54 5.091 10.163 -0.209 1.00 0.69 C ATOM 852 CG ARG A 54 5.582 11.380 0.577 1.00 0.82 C ATOM 853 CD ARG A 54 4.654 12.596 0.557 1.00 1.18 C ATOM 854 NE ARG A 54 5.029 13.504 -0.563 1.00 1.50 N ATOM 855 CZ ARG A 54 4.158 14.333 -1.211 1.00 2.00 C ATOM 856 NH1 ARG A 54 2.865 14.532 -0.824 1.00 2.48 N ATOM 857 NH2 ARG A 54 4.718 15.071 -2.212 1.00 2.49 N ATOM 0 H ARG A 54 3.377 10.204 -2.055 1.00 0.64 H new ATOM 0 HA ARG A 54 6.165 10.905 -1.883 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.010 10.094 -0.089 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.520 9.269 0.245 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.739 11.082 1.614 1.00 0.82 H new ATOM 0 HG3 ARG A 54 6.552 11.679 0.181 1.00 0.82 H new ATOM 0 HD2 ARG A 54 3.619 12.272 0.443 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.719 13.129 1.506 1.00 1.18 H new ATOM 0 HE ARG A 54 6.003 13.507 -0.867 1.00 1.50 H new ATOM 0 HH11 ARG A 54 2.497 14.047 -0.006 1.00 2.48 H new ATOM 0 HH12 ARG A 54 2.266 15.166 -1.353 1.00 2.48 H new ATOM 0 HH21 ARG A 54 5.712 14.976 -2.421 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.143 15.718 -2.751 1.00 2.49 H new ATOM 871 N THR A 55 7.464 8.939 -1.911 1.00 0.63 N ATOM 872 CA THR A 55 8.243 7.756 -2.106 1.00 0.61 C ATOM 873 C THR A 55 8.232 6.889 -0.895 1.00 0.59 C ATOM 874 O THR A 55 7.832 7.342 0.177 1.00 0.64 O ATOM 875 CB THR A 55 9.680 7.943 -2.492 1.00 0.68 C ATOM 876 OG1 THR A 55 10.516 8.482 -1.478 1.00 0.75 O ATOM 877 CG2 THR A 55 9.855 8.945 -3.645 1.00 0.76 C ATOM 0 H THR A 55 7.978 9.738 -1.540 1.00 0.63 H new ATOM 0 HA THR A 55 7.742 7.300 -2.960 1.00 0.61 H new ATOM 0 HB THR A 55 9.968 6.922 -2.741 1.00 0.68 H new ATOM 0 HG1 THR A 55 11.431 8.566 -1.819 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.914 9.043 -3.884 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.316 8.588 -4.523 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.459 9.916 -3.347 1.00 0.76 H new ATOM 885 N LEU A 56 8.744 5.646 -0.938 1.00 0.58 N ATOM 886 CA LEU A 56 8.839 4.742 0.166 1.00 0.59 C ATOM 887 C LEU A 56 9.957 5.170 1.053 1.00 0.64 C ATOM 888 O LEU A 56 9.838 5.032 2.269 1.00 0.70 O ATOM 889 CB LEU A 56 9.094 3.376 -0.492 1.00 0.60 C ATOM 890 CG LEU A 56 7.918 2.574 -1.074 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.437 1.201 -1.531 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.727 2.479 -0.103 1.00 1.03 C ATOM 0 H LEU A 56 9.115 5.247 -1.800 1.00 0.58 H new ATOM 0 HA LEU A 56 7.951 4.710 0.798 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.811 3.533 -1.298 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.582 2.744 0.250 1.00 0.60 H new ATOM 0 HG LEU A 56 7.518 3.101 -1.940 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.613 0.620 -1.946 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.205 1.337 -2.292 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.861 0.670 -0.679 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.926 1.902 -0.565 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.045 1.986 0.816 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.366 3.481 0.129 1.00 1.03 H new ATOM 904 N SER A 57 11.010 5.762 0.462 1.00 0.68 N ATOM 905 CA SER A 57 12.187 6.230 1.127 1.00 0.75 C ATOM 906 C SER A 57 11.824 7.314 2.083 1.00 0.76 C ATOM 907 O SER A 57 12.232 7.281 3.243 1.00 0.84 O ATOM 908 CB SER A 57 13.408 6.542 0.247 1.00 0.84 C ATOM 909 OG SER A 57 14.631 6.334 0.938 1.00 1.19 O ATOM 0 H SER A 57 11.041 5.924 -0.545 1.00 0.68 H new ATOM 0 HA SER A 57 12.571 5.377 1.687 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.383 5.913 -0.643 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.355 7.576 -0.092 1.00 0.84 H new ATOM 0 HG SER A 57 15.382 6.542 0.344 1.00 1.19 H new ATOM 915 N ASP A 58 11.051 8.321 1.639 1.00 0.75 N ATOM 916 CA ASP A 58 10.461 9.371 2.410 1.00 0.78 C ATOM 917 C ASP A 58 9.789 8.848 3.634 1.00 0.77 C ATOM 918 O ASP A 58 10.024 9.307 4.749 1.00 0.86 O ATOM 919 CB ASP A 58 9.359 10.159 1.681 1.00 0.83 C ATOM 920 CG ASP A 58 9.040 11.481 2.365 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.908 12.389 2.265 1.00 1.90 O ATOM 922 OD2 ASP A 58 8.091 11.582 3.188 1.00 1.86 O ATOM 0 H ASP A 58 10.819 8.406 0.649 1.00 0.75 H new ATOM 0 HA ASP A 58 11.312 10.017 2.627 1.00 0.78 H new ATOM 0 HB2 ASP A 58 9.672 10.351 0.655 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.455 9.552 1.631 1.00 0.83 H new ATOM 927 N TYR A 59 8.928 7.830 3.452 1.00 0.72 N ATOM 928 CA TYR A 59 8.295 7.203 4.570 1.00 0.73 C ATOM 929 C TYR A 59 9.066 6.243 5.411 1.00 0.76 C ATOM 930 O TYR A 59 8.463 5.754 6.366 1.00 0.89 O ATOM 931 CB TYR A 59 7.031 6.457 4.110 1.00 0.73 C ATOM 932 CG TYR A 59 5.852 7.324 3.833 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.465 8.208 4.812 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.220 7.299 2.611 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.412 9.075 4.636 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.169 8.159 2.397 1.00 0.70 C ATOM 937 CZ TYR A 59 3.740 8.940 3.445 1.00 0.74 C ATOM 938 OH TYR A 59 2.558 9.701 3.315 1.00 0.86 O ATOM 0 H TYR A 59 8.673 7.445 2.543 1.00 0.72 H new ATOM 0 HA TYR A 59 8.123 8.064 5.215 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.268 5.894 3.208 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.757 5.731 4.876 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.004 8.222 5.748 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.543 6.619 1.837 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.134 9.808 5.379 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.692 8.220 1.430 1.00 0.70 H new ATOM 0 HH TYR A 59 2.700 10.418 2.662 1.00 0.86 H new ATOM 948 N ASN A 60 10.305 5.863 5.053 1.00 0.74 N ATOM 949 CA ASN A 60 11.138 4.948 5.770 1.00 0.79 C ATOM 950 C ASN A 60 10.662 3.538 5.851 1.00 0.75 C ATOM 951 O ASN A 60 10.751 2.950 6.928 1.00 0.86 O ATOM 952 CB ASN A 60 11.471 5.406 7.200 1.00 0.95 C ATOM 953 CG ASN A 60 12.386 6.622 7.220 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.288 6.655 6.383 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.254 7.558 8.198 1.00 1.83 N ATOM 0 H ASN A 60 10.753 6.218 4.208 1.00 0.74 H new ATOM 0 HA ASN A 60 12.029 4.959 5.142 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.547 5.641 7.728 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.947 4.587 7.740 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.919 8.329 8.259 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.490 7.489 8.870 1.00 1.83 H new ATOM 962 N ILE A 61 10.136 3.076 4.703 1.00 0.67 N ATOM 963 CA ILE A 61 9.613 1.767 4.461 1.00 0.65 C ATOM 964 C ILE A 61 10.791 1.076 3.866 1.00 0.66 C ATOM 965 O ILE A 61 11.352 1.429 2.830 1.00 0.75 O ATOM 966 CB ILE A 61 8.347 1.649 3.664 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.277 2.530 4.329 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.887 0.209 3.380 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.900 2.625 3.673 1.00 0.82 C ATOM 0 H ILE A 61 10.072 3.669 3.876 1.00 0.67 H new ATOM 0 HA ILE A 61 9.236 1.317 5.379 1.00 0.65 H new ATOM 0 HB ILE A 61 8.543 2.017 2.657 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.135 2.167 5.347 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.679 3.540 4.404 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.965 0.229 2.799 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.659 -0.315 2.817 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.711 -0.309 4.323 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.261 3.283 4.262 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.004 3.027 2.665 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.451 1.633 3.623 1.00 0.82 H new ATOM 981 N GLN A 62 11.278 0.069 4.612 1.00 0.67 N ATOM 982 CA GLN A 62 12.430 -0.682 4.221 1.00 0.70 C ATOM 983 C GLN A 62 11.961 -1.985 3.668 1.00 0.62 C ATOM 984 O GLN A 62 10.756 -2.184 3.520 1.00 0.64 O ATOM 985 CB GLN A 62 13.451 -0.931 5.344 1.00 0.85 C ATOM 986 CG GLN A 62 12.940 -1.633 6.604 1.00 1.27 C ATOM 987 CD GLN A 62 14.092 -1.786 7.587 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.574 -2.857 7.955 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.510 -0.591 8.081 1.00 2.16 N ATOM 0 H GLN A 62 10.868 -0.228 5.497 1.00 0.67 H new ATOM 0 HA GLN A 62 12.964 -0.085 3.481 1.00 0.70 H new ATOM 0 HB2 GLN A 62 14.268 -1.524 4.934 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.872 0.030 5.639 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.133 -1.056 7.056 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.529 -2.610 6.350 1.00 1.27 H new ATOM 0 HE21 GLN A 62 14.085 0.275 7.750 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.249 -0.560 8.783 1.00 2.16 H new ATOM 998 N LYS A 63 12.922 -2.863 3.332 1.00 0.64 N ATOM 999 CA LYS A 63 12.535 -4.202 3.010 1.00 0.62 C ATOM 1000 C LYS A 63 11.850 -4.993 4.071 1.00 0.59 C ATOM 1001 O LYS A 63 12.148 -4.698 5.228 1.00 0.66 O ATOM 1002 CB LYS A 63 13.808 -4.920 2.530 1.00 0.74 C ATOM 1003 CG LYS A 63 14.975 -5.134 3.496 1.00 0.89 C ATOM 1004 CD LYS A 63 15.725 -6.403 3.086 1.00 1.11 C ATOM 1005 CE LYS A 63 16.949 -6.800 3.914 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.422 -7.166 5.248 1.00 2.12 N ATOM 0 H LYS A 63 13.921 -2.662 3.284 1.00 0.64 H new ATOM 0 HA LYS A 63 11.758 -4.127 2.249 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.508 -5.901 2.162 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.192 -4.363 1.676 1.00 0.74 H new ATOM 0 HG2 LYS A 63 15.646 -4.275 3.474 1.00 0.89 H new ATOM 0 HG3 LYS A 63 14.608 -5.226 4.518 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.019 -7.233 3.110 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.044 -6.285 2.050 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.477 -7.637 3.457 1.00 1.47 H new ATOM 0 HE3 LYS A 63 17.659 -5.976 3.985 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.182 -7.592 5.817 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 16.067 -6.314 5.727 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.646 -7.850 5.139 1.00 2.12 H new ATOM 1020 N GLU A 64 10.878 -5.799 3.608 1.00 0.57 N ATOM 1021 CA GLU A 64 10.186 -6.646 4.529 1.00 0.58 C ATOM 1022 C GLU A 64 9.176 -6.031 5.437 1.00 0.56 C ATOM 1023 O GLU A 64 8.972 -6.618 6.499 1.00 0.70 O ATOM 1024 CB GLU A 64 11.077 -7.685 5.230 1.00 0.72 C ATOM 1025 CG GLU A 64 11.992 -8.446 4.270 1.00 0.96 C ATOM 1026 CD GLU A 64 13.196 -9.106 4.927 1.00 1.18 C ATOM 1027 OE1 GLU A 64 14.082 -8.326 5.368 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.183 -10.356 5.087 1.00 1.69 O ATOM 0 H GLU A 64 10.579 -5.865 2.635 1.00 0.57 H new ATOM 0 HA GLU A 64 9.548 -7.190 3.833 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.687 -7.182 5.980 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.444 -8.398 5.759 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.406 -9.213 3.763 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.346 -7.756 3.504 1.00 0.96 H new ATOM 1035 N SER A 65 8.683 -4.833 5.077 1.00 0.51 N ATOM 1036 CA SER A 65 7.813 -4.039 5.888 1.00 0.51 C ATOM 1037 C SER A 65 6.430 -4.412 5.479 1.00 0.43 C ATOM 1038 O SER A 65 6.189 -4.772 4.328 1.00 0.50 O ATOM 1039 CB SER A 65 8.106 -2.530 5.855 1.00 0.65 C ATOM 1040 OG SER A 65 9.463 -2.246 6.166 1.00 1.04 O ATOM 0 H SER A 65 8.901 -4.398 4.180 1.00 0.51 H new ATOM 0 HA SER A 65 7.972 -4.254 6.945 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.870 -2.136 4.866 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.456 -2.019 6.565 1.00 0.65 H new ATOM 0 HG SER A 65 9.984 -2.190 5.338 1.00 1.04 H new ATOM 1046 N THR A 66 5.485 -4.243 6.421 1.00 0.45 N ATOM 1047 CA THR A 66 4.088 -4.550 6.420 1.00 0.45 C ATOM 1048 C THR A 66 3.267 -3.313 6.293 1.00 0.43 C ATOM 1049 O THR A 66 3.041 -2.536 7.219 1.00 0.58 O ATOM 1050 CB THR A 66 3.504 -5.262 7.604 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.180 -6.488 7.839 1.00 0.79 O ATOM 1052 CG2 THR A 66 2.000 -5.542 7.450 1.00 0.78 C ATOM 0 H THR A 66 5.747 -3.828 7.315 1.00 0.45 H new ATOM 0 HA THR A 66 4.044 -5.235 5.573 1.00 0.45 H new ATOM 0 HB THR A 66 3.636 -4.592 8.454 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.785 -6.936 8.616 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.633 -6.059 8.337 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.465 -4.600 7.332 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.834 -6.166 6.572 1.00 0.78 H new ATOM 1060 N LEU A 67 2.745 -3.113 5.070 1.00 0.38 N ATOM 1061 CA LEU A 67 1.836 -2.051 4.772 1.00 0.38 C ATOM 1062 C LEU A 67 0.479 -2.651 4.917 1.00 0.37 C ATOM 1063 O LEU A 67 0.321 -3.869 4.967 1.00 0.50 O ATOM 1064 CB LEU A 67 1.930 -1.503 3.338 1.00 0.46 C ATOM 1065 CG LEU A 67 3.199 -0.690 3.034 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.509 -1.482 3.184 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.069 -0.041 1.646 1.00 1.31 C ATOM 0 H LEU A 67 2.961 -3.705 4.268 1.00 0.38 H new ATOM 0 HA LEU A 67 2.062 -1.216 5.435 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.877 -2.340 2.641 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.060 -0.875 3.148 1.00 0.46 H new ATOM 0 HG LEU A 67 3.272 0.088 3.794 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.354 -0.834 2.951 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.600 -1.844 4.208 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.502 -2.330 2.499 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.968 0.536 1.429 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.945 -0.818 0.891 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.202 0.619 1.633 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.539 -1.772 4.918 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.858 -2.261 5.178 1.00 0.37 C ATOM 1081 C HIS A 68 -2.738 -1.577 4.190 1.00 0.35 C ATOM 1082 O HIS A 68 -2.368 -0.567 3.592 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.390 -2.003 6.598 1.00 0.49 C ATOM 1084 CG HIS A 68 -2.640 -3.257 7.382 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.717 -3.755 8.279 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -3.625 -4.193 7.329 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -2.250 -4.881 8.823 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -3.342 -5.246 8.176 1.00 1.51 N ATOM 0 H HIS A 68 -0.459 -0.769 4.748 1.00 0.35 H new ATOM 0 HA HIS A 68 -1.842 -3.347 5.090 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -1.674 -1.383 7.138 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.318 -1.435 6.532 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -4.507 -4.122 6.710 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -1.836 -5.407 9.671 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -3.863 -6.117 8.280 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.954 -2.112 3.982 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.802 -1.614 2.945 1.00 0.38 C ATOM 1098 C LEU A 69 -6.193 -1.712 3.470 1.00 0.41 C ATOM 1099 O LEU A 69 -6.653 -2.774 3.884 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.794 -2.587 1.753 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.688 -2.366 0.521 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -6.044 -0.904 0.201 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.089 -2.902 -0.789 1.00 1.14 C ATOM 0 H LEU A 69 -4.347 -2.881 4.525 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.482 -0.613 2.655 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.767 -2.636 1.392 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -5.040 -3.572 2.149 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.576 -2.916 0.832 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.677 -0.869 -0.686 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -6.578 -0.466 1.045 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -5.130 -0.339 0.017 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.779 -2.708 -1.611 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.140 -2.403 -0.986 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -4.923 -3.976 -0.701 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.896 -0.565 3.524 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.243 -0.345 3.950 1.00 0.56 C ATOM 1117 C VAL A 70 -9.001 0.129 2.758 1.00 0.55 C ATOM 1118 O VAL A 70 -8.627 1.085 2.082 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.142 0.654 5.065 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.543 0.974 5.617 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.270 0.114 6.210 1.00 0.97 C ATOM 0 H VAL A 70 -6.463 0.311 3.233 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.772 -1.221 4.325 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.684 1.558 4.663 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.458 1.700 6.426 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.162 1.388 4.821 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.002 0.061 5.996 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.213 0.857 7.005 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.710 -0.803 6.601 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.268 -0.095 5.836 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.117 -0.535 2.409 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.884 -0.239 1.238 1.00 0.84 C ATOM 1133 C LEU A 71 -11.809 0.921 1.374 1.00 0.85 C ATOM 1134 O LEU A 71 -12.765 0.901 2.147 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.842 -1.349 0.775 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.094 -2.648 0.432 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.083 -3.818 0.296 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.226 -2.490 -0.829 1.00 2.78 C ATOM 0 H LEU A 71 -10.499 -1.304 2.960 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.068 -0.066 0.536 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.573 -1.548 1.559 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.397 -1.008 -0.099 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.415 -2.872 1.254 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.537 -4.730 0.053 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.617 -3.954 1.237 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.797 -3.600 -0.498 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.714 -3.429 -1.038 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.859 -2.226 -1.676 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.489 -1.703 -0.667 1.00 2.78 H new