USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 604 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 1 ASN N :NH3+ 164:sc= 1.46 (180deg=0.136) USER MOD Set 1.2: A 48 ASN : amide:sc= 0.752 K(o=2.2,f=-11!) USER MOD Single : A 1 ASN : amide:sc= 0.047 K(o=0.047,f=-2.3!) USER MOD Single : A 2 SER OG : rot 48:sc= 0.539 USER MOD Single : A 3 SER OG : rot -150:sc= 1.11 USER MOD Single : A 4 LYS NZ :NH3+ 141:sc= 1.09 (180deg=0.393) USER MOD Single : A 5 CYS SG : rot -80:sc= -1.91 USER MOD Single : A 6 TYR OH : rot 127:sc= 1.31 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00961 USER MOD Single : A 17 CYS SG : rot -174:sc= 0.0143 USER MOD Single : A 20 ASN : amide:sc= -0.2 X(o=-0.2,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.32) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.117 USER MOD Single : A 53 GLN : amide:sc= -0.0844 X(o=-0.084,f=-0.086) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.296 X(o=0.3,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -16.668 -2.902 6.621 1.00 3.63 N ATOM 2 CA ASN A 1 -15.689 -3.746 7.336 1.00 3.02 C ATOM 3 C ASN A 1 -14.327 -3.073 7.344 1.00 2.26 C ATOM 4 O ASN A 1 -13.622 -3.146 6.351 1.00 3.21 O ATOM 5 CB ASN A 1 -15.580 -5.130 6.687 1.00 4.02 C ATOM 6 CG ASN A 1 -16.787 -5.957 7.087 1.00 3.69 C ATOM 7 OD1 ASN A 1 -17.907 -5.542 6.804 1.00 4.31 O ATOM 8 ND2 ASN A 1 -16.574 -7.060 7.798 1.00 3.66 N ATOM 0 H1 ASN A 1 -17.507 -3.469 6.383 1.00 3.63 H new ATOM 0 H2 ASN A 1 -16.949 -2.106 7.228 1.00 3.63 H new ATOM 0 H3 ASN A 1 -16.238 -2.536 5.748 1.00 3.63 H new ATOM 0 HA ASN A 1 -16.036 -3.872 8.362 1.00 3.02 H new ATOM 0 HB2 ASN A 1 -15.531 -5.035 5.602 1.00 4.02 H new ATOM 0 HB3 ASN A 1 -14.662 -5.624 7.005 1.00 4.02 H new ATOM 0 HD21 ASN A 1 -17.364 -7.608 8.138 1.00 3.66 H new ATOM 0 HD22 ASN A 1 -15.620 -7.358 8.003 1.00 3.66 H new ATOM 17 N SER A 2 -13.951 -2.396 8.425 1.00 1.44 N ATOM 18 CA SER A 2 -12.628 -1.811 8.555 1.00 1.00 C ATOM 19 C SER A 2 -11.607 -2.928 8.784 1.00 0.88 C ATOM 20 O SER A 2 -11.617 -3.510 9.869 1.00 1.27 O ATOM 21 CB SER A 2 -12.683 -0.875 9.763 1.00 1.81 C ATOM 22 OG SER A 2 -13.367 -1.546 10.806 1.00 3.12 O ATOM 0 H SER A 2 -14.556 -2.240 9.231 1.00 1.44 H new ATOM 0 HA SER A 2 -12.333 -1.263 7.660 1.00 1.00 H new ATOM 0 HB2 SER A 2 -11.676 -0.603 10.081 1.00 1.81 H new ATOM 0 HB3 SER A 2 -13.197 0.051 9.504 1.00 1.81 H new ATOM 0 HG SER A 2 -12.999 -2.448 10.911 1.00 3.12 H new ATOM 28 N SER A 3 -10.731 -3.195 7.810 1.00 0.78 N ATOM 29 CA SER A 3 -9.664 -4.187 7.928 1.00 0.84 C ATOM 30 C SER A 3 -8.365 -3.568 7.408 1.00 0.85 C ATOM 31 O SER A 3 -8.413 -2.634 6.602 1.00 0.99 O ATOM 32 CB SER A 3 -10.029 -5.464 7.155 1.00 1.07 C ATOM 33 OG SER A 3 -11.281 -5.970 7.585 1.00 1.85 O ATOM 0 H SER A 3 -10.746 -2.721 6.907 1.00 0.78 H new ATOM 0 HA SER A 3 -9.530 -4.472 8.972 1.00 0.84 H new ATOM 0 HB2 SER A 3 -10.065 -5.250 6.087 1.00 1.07 H new ATOM 0 HB3 SER A 3 -9.256 -6.218 7.303 1.00 1.07 H new ATOM 0 HG SER A 3 -11.290 -6.945 7.489 1.00 1.85 H new ATOM 39 N LYS A 4 -7.207 -4.056 7.873 1.00 0.80 N ATOM 40 CA LYS A 4 -5.930 -3.591 7.350 1.00 0.94 C ATOM 41 C LYS A 4 -5.531 -4.399 6.119 1.00 0.98 C ATOM 42 O LYS A 4 -5.905 -5.563 6.003 1.00 1.26 O ATOM 43 CB LYS A 4 -4.831 -3.492 8.424 1.00 1.10 C ATOM 44 CG LYS A 4 -4.007 -4.769 8.684 1.00 2.51 C ATOM 45 CD LYS A 4 -4.194 -5.387 10.080 1.00 2.84 C ATOM 46 CE LYS A 4 -4.559 -6.874 9.937 1.00 5.09 C ATOM 47 NZ LYS A 4 -4.456 -7.623 11.203 1.00 5.98 N ATOM 0 H LYS A 4 -7.135 -4.765 8.603 1.00 0.80 H new ATOM 0 HA LYS A 4 -6.059 -2.560 7.022 1.00 0.94 H new ATOM 0 HB2 LYS A 4 -4.145 -2.695 8.137 1.00 1.10 H new ATOM 0 HB3 LYS A 4 -5.297 -3.189 9.362 1.00 1.10 H new ATOM 0 HG2 LYS A 4 -4.273 -5.514 7.934 1.00 2.51 H new ATOM 0 HG3 LYS A 4 -2.951 -4.538 8.543 1.00 2.51 H new ATOM 0 HD2 LYS A 4 -3.279 -5.280 10.662 1.00 2.84 H new ATOM 0 HD3 LYS A 4 -4.979 -4.859 10.621 1.00 2.84 H new ATOM 0 HE2 LYS A 4 -5.577 -6.956 9.556 1.00 5.09 H new ATOM 0 HE3 LYS A 4 -3.903 -7.333 9.197 1.00 5.09 H new ATOM 0 HZ1 LYS A 4 -5.241 -8.302 11.269 1.00 5.98 H new ATOM 0 HZ2 LYS A 4 -3.551 -8.135 11.231 1.00 5.98 H new ATOM 0 HZ3 LYS A 4 -4.503 -6.960 12.003 1.00 5.98 H new ATOM 61 N CYS A 5 -4.766 -3.779 5.224 1.00 0.83 N ATOM 62 CA CYS A 5 -4.114 -4.434 4.104 1.00 0.85 C ATOM 63 C CYS A 5 -2.616 -4.387 4.370 1.00 0.74 C ATOM 64 O CYS A 5 -1.966 -3.347 4.264 1.00 0.92 O ATOM 65 CB CYS A 5 -4.501 -3.835 2.744 1.00 1.01 C ATOM 66 SG CYS A 5 -4.638 -2.031 2.762 1.00 2.83 S ATOM 0 H CYS A 5 -4.580 -2.777 5.263 1.00 0.83 H new ATOM 0 HA CYS A 5 -4.450 -5.468 4.032 1.00 0.85 H new ATOM 0 HB2 CYS A 5 -3.758 -4.128 2.002 1.00 1.01 H new ATOM 0 HB3 CYS A 5 -5.453 -4.261 2.426 1.00 1.01 H new ATOM 0 HG CYS A 5 -5.788 -1.688 3.262 1.00 2.83 H new ATOM 72 N TYR A 6 -2.075 -5.546 4.746 1.00 0.59 N ATOM 73 CA TYR A 6 -0.651 -5.749 4.897 1.00 0.56 C ATOM 74 C TYR A 6 -0.129 -6.060 3.502 1.00 0.47 C ATOM 75 O TYR A 6 -0.600 -6.999 2.857 1.00 0.61 O ATOM 76 CB TYR A 6 -0.405 -6.916 5.859 1.00 0.68 C ATOM 77 CG TYR A 6 0.428 -6.570 7.071 1.00 0.95 C ATOM 78 CD1 TYR A 6 1.805 -6.325 6.924 1.00 2.13 C ATOM 79 CD2 TYR A 6 -0.167 -6.511 8.345 1.00 2.03 C ATOM 80 CE1 TYR A 6 2.582 -5.994 8.047 1.00 2.46 C ATOM 81 CE2 TYR A 6 0.605 -6.148 9.460 1.00 2.38 C ATOM 82 CZ TYR A 6 1.971 -5.860 9.304 1.00 2.00 C ATOM 83 OH TYR A 6 2.676 -5.328 10.336 1.00 2.67 O ATOM 0 H TYR A 6 -2.629 -6.376 4.955 1.00 0.59 H new ATOM 0 HA TYR A 6 -0.144 -4.878 5.312 1.00 0.56 H new ATOM 0 HB2 TYR A 6 -1.368 -7.302 6.195 1.00 0.68 H new ATOM 0 HB3 TYR A 6 0.088 -7.721 5.314 1.00 0.68 H new ATOM 0 HD1 TYR A 6 2.265 -6.391 5.949 1.00 2.13 H new ATOM 0 HD2 TYR A 6 -1.215 -6.744 8.465 1.00 2.03 H new ATOM 0 HE1 TYR A 6 3.646 -5.843 7.944 1.00 2.46 H new ATOM 0 HE2 TYR A 6 0.149 -6.090 10.437 1.00 2.38 H new ATOM 0 HH TYR A 6 2.173 -4.582 10.726 1.00 2.67 H new ATOM 93 N ILE A 7 0.805 -5.246 3.020 1.00 0.39 N ATOM 94 CA ILE A 7 1.390 -5.376 1.699 1.00 0.35 C ATOM 95 C ILE A 7 2.906 -5.459 1.897 1.00 0.39 C ATOM 96 O ILE A 7 3.432 -4.992 2.908 1.00 0.42 O ATOM 97 CB ILE A 7 0.912 -4.227 0.771 1.00 0.37 C ATOM 98 CG1 ILE A 7 -0.590 -3.941 0.969 1.00 0.56 C ATOM 99 CG2 ILE A 7 1.162 -4.539 -0.714 1.00 0.34 C ATOM 100 CD1 ILE A 7 -1.182 -2.943 -0.031 1.00 0.88 C ATOM 0 H ILE A 7 1.181 -4.462 3.552 1.00 0.39 H new ATOM 0 HA ILE A 7 1.065 -6.280 1.184 1.00 0.35 H new ATOM 0 HB ILE A 7 1.496 -3.349 1.048 1.00 0.37 H new ATOM 0 HG12 ILE A 7 -1.139 -4.880 0.895 1.00 0.56 H new ATOM 0 HG13 ILE A 7 -0.745 -3.560 1.979 1.00 0.56 H new ATOM 0 HG21 ILE A 7 0.812 -3.707 -1.325 1.00 0.34 H new ATOM 0 HG22 ILE A 7 2.229 -4.687 -0.880 1.00 0.34 H new ATOM 0 HG23 ILE A 7 0.623 -5.445 -0.991 1.00 0.34 H new ATOM 0 HD11 ILE A 7 -2.242 -2.801 0.181 1.00 0.88 H new ATOM 0 HD12 ILE A 7 -0.663 -1.989 0.057 1.00 0.88 H new ATOM 0 HD13 ILE A 7 -1.063 -3.329 -1.044 1.00 0.88 H new ATOM 112 N GLN A 8 3.623 -6.086 0.967 1.00 0.49 N ATOM 113 CA GLN A 8 5.076 -6.115 0.981 1.00 0.54 C ATOM 114 C GLN A 8 5.597 -5.729 -0.398 1.00 0.56 C ATOM 115 O GLN A 8 4.873 -5.867 -1.383 1.00 0.54 O ATOM 116 CB GLN A 8 5.564 -7.484 1.479 1.00 0.60 C ATOM 117 CG GLN A 8 7.096 -7.556 1.532 1.00 1.74 C ATOM 118 CD GLN A 8 7.632 -8.677 2.415 1.00 1.65 C ATOM 119 OE1 GLN A 8 6.883 -9.455 2.995 1.00 1.26 O ATOM 120 NE2 GLN A 8 8.952 -8.747 2.553 1.00 2.82 N ATOM 0 H GLN A 8 3.208 -6.588 0.182 1.00 0.49 H new ATOM 0 HA GLN A 8 5.479 -5.383 1.681 1.00 0.54 H new ATOM 0 HB2 GLN A 8 5.156 -7.677 2.471 1.00 0.60 H new ATOM 0 HB3 GLN A 8 5.186 -8.266 0.821 1.00 0.60 H new ATOM 0 HG2 GLN A 8 7.479 -7.689 0.520 1.00 1.74 H new ATOM 0 HG3 GLN A 8 7.482 -6.604 1.896 1.00 1.74 H new ATOM 0 HE21 GLN A 8 9.552 -8.087 2.059 1.00 2.82 H new ATOM 0 HE22 GLN A 8 9.365 -9.461 3.153 1.00 2.82 H new ATOM 129 N VAL A 9 6.830 -5.211 -0.441 1.00 0.63 N ATOM 130 CA VAL A 9 7.517 -4.768 -1.643 1.00 0.69 C ATOM 131 C VAL A 9 8.920 -5.380 -1.651 1.00 0.69 C ATOM 132 O VAL A 9 9.656 -5.268 -0.671 1.00 0.94 O ATOM 133 CB VAL A 9 7.554 -3.228 -1.704 1.00 0.91 C ATOM 134 CG1 VAL A 9 6.172 -2.670 -2.067 1.00 1.76 C ATOM 135 CG2 VAL A 9 8.021 -2.573 -0.394 1.00 2.54 C ATOM 0 H VAL A 9 7.393 -5.087 0.400 1.00 0.63 H new ATOM 0 HA VAL A 9 6.984 -5.103 -2.533 1.00 0.69 H new ATOM 0 HB VAL A 9 8.285 -2.982 -2.475 1.00 0.91 H new ATOM 0 HG11 VAL A 9 6.218 -1.582 -2.105 1.00 1.76 H new ATOM 0 HG12 VAL A 9 5.868 -3.055 -3.041 1.00 1.76 H new ATOM 0 HG13 VAL A 9 5.447 -2.976 -1.313 1.00 1.76 H new ATOM 0 HG21 VAL A 9 8.023 -1.489 -0.510 1.00 2.54 H new ATOM 0 HG22 VAL A 9 7.344 -2.851 0.413 1.00 2.54 H new ATOM 0 HG23 VAL A 9 9.029 -2.914 -0.156 1.00 2.54 H new ATOM 145 N THR A 10 9.294 -6.064 -2.733 1.00 0.82 N ATOM 146 CA THR A 10 10.622 -6.648 -2.842 1.00 1.08 C ATOM 147 C THR A 10 11.644 -5.548 -3.105 1.00 1.14 C ATOM 148 O THR A 10 11.623 -4.916 -4.157 1.00 1.00 O ATOM 149 CB THR A 10 10.638 -7.724 -3.934 1.00 1.21 C ATOM 150 OG1 THR A 10 9.564 -8.616 -3.713 1.00 2.15 O ATOM 151 CG2 THR A 10 11.953 -8.511 -3.921 1.00 2.16 C ATOM 0 H THR A 10 8.694 -6.224 -3.542 1.00 0.82 H new ATOM 0 HA THR A 10 10.890 -7.135 -1.905 1.00 1.08 H new ATOM 0 HB THR A 10 10.541 -7.235 -4.903 1.00 1.21 H new ATOM 0 HG1 THR A 10 9.565 -9.307 -4.408 1.00 2.15 H new ATOM 0 HG21 THR A 10 11.933 -9.266 -4.707 1.00 2.16 H new ATOM 0 HG22 THR A 10 12.786 -7.830 -4.093 1.00 2.16 H new ATOM 0 HG23 THR A 10 12.076 -8.998 -2.953 1.00 2.16 H new ATOM 159 N GLY A 11 12.544 -5.346 -2.143 1.00 1.93 N ATOM 160 CA GLY A 11 13.619 -4.382 -2.257 1.00 2.21 C ATOM 161 C GLY A 11 13.145 -3.006 -1.799 1.00 2.15 C ATOM 162 O GLY A 11 13.495 -1.986 -2.394 1.00 2.43 O ATOM 0 H GLY A 11 12.541 -5.855 -1.259 1.00 1.93 H new ATOM 0 HA2 GLY A 11 14.469 -4.701 -1.654 1.00 2.21 H new ATOM 0 HA3 GLY A 11 13.963 -4.331 -3.290 1.00 2.21 H new ATOM 166 N MET A 12 12.371 -2.990 -0.709 1.00 2.02 N ATOM 167 CA MET A 12 11.847 -1.781 -0.112 1.00 2.15 C ATOM 168 C MET A 12 10.992 -1.017 -1.126 1.00 2.52 C ATOM 169 O MET A 12 10.509 -1.562 -2.116 1.00 4.09 O ATOM 170 CB MET A 12 12.988 -0.916 0.466 1.00 2.95 C ATOM 171 CG MET A 12 13.997 -1.743 1.277 1.00 4.27 C ATOM 172 SD MET A 12 15.347 -0.799 2.025 1.00 6.40 S ATOM 173 CE MET A 12 16.294 -2.156 2.749 1.00 7.69 C ATOM 0 H MET A 12 12.092 -3.838 -0.216 1.00 2.02 H new ATOM 0 HA MET A 12 11.200 -2.048 0.724 1.00 2.15 H new ATOM 0 HB2 MET A 12 13.507 -0.412 -0.349 1.00 2.95 H new ATOM 0 HB3 MET A 12 12.565 -0.139 1.102 1.00 2.95 H new ATOM 0 HG2 MET A 12 13.460 -2.267 2.068 1.00 4.27 H new ATOM 0 HG3 MET A 12 14.426 -2.504 0.625 1.00 4.27 H new ATOM 0 HE1 MET A 12 17.172 -1.757 3.257 1.00 7.69 H new ATOM 0 HE2 MET A 12 15.672 -2.691 3.466 1.00 7.69 H new ATOM 0 HE3 MET A 12 16.610 -2.840 1.961 1.00 7.69 H new ATOM 183 N THR A 13 10.835 0.275 -0.867 1.00 2.77 N ATOM 184 CA THR A 13 10.203 1.247 -1.737 1.00 4.51 C ATOM 185 C THR A 13 11.311 2.086 -2.394 1.00 3.78 C ATOM 186 O THR A 13 11.170 3.291 -2.584 1.00 4.99 O ATOM 187 CB THR A 13 9.239 2.045 -0.849 1.00 6.25 C ATOM 188 OG1 THR A 13 8.351 2.852 -1.593 1.00 7.73 O ATOM 189 CG2 THR A 13 10.013 2.882 0.173 1.00 6.62 C ATOM 0 H THR A 13 11.165 0.691 0.004 1.00 2.77 H new ATOM 0 HA THR A 13 9.627 0.816 -2.556 1.00 4.51 H new ATOM 0 HB THR A 13 8.626 1.318 -0.317 1.00 6.25 H new ATOM 0 HG1 THR A 13 7.759 3.337 -0.981 1.00 7.73 H new ATOM 0 HG21 THR A 13 9.311 3.440 0.793 1.00 6.62 H new ATOM 0 HG22 THR A 13 10.611 2.224 0.804 1.00 6.62 H new ATOM 0 HG23 THR A 13 10.669 3.578 -0.349 1.00 6.62 H new ATOM 197 N CYS A 14 12.451 1.452 -2.699 1.00 2.35 N ATOM 198 CA CYS A 14 13.652 2.078 -3.246 1.00 1.73 C ATOM 199 C CYS A 14 14.304 3.091 -2.293 1.00 1.69 C ATOM 200 O CYS A 14 15.386 2.832 -1.772 1.00 3.01 O ATOM 201 CB CYS A 14 13.385 2.669 -4.636 1.00 1.62 C ATOM 202 SG CYS A 14 14.951 3.278 -5.296 1.00 2.27 S ATOM 0 H CYS A 14 12.561 0.447 -2.564 1.00 2.35 H new ATOM 0 HA CYS A 14 14.389 1.283 -3.360 1.00 1.73 H new ATOM 0 HB2 CYS A 14 12.962 1.912 -5.297 1.00 1.62 H new ATOM 0 HB3 CYS A 14 12.658 3.479 -4.572 1.00 1.62 H new ATOM 0 HG CYS A 14 14.756 3.784 -6.477 1.00 2.27 H new ATOM 208 N ALA A 15 13.652 4.230 -2.047 1.00 1.85 N ATOM 209 CA ALA A 15 14.100 5.279 -1.137 1.00 2.03 C ATOM 210 C ALA A 15 12.880 6.134 -0.779 1.00 1.97 C ATOM 211 O ALA A 15 11.856 5.585 -0.381 1.00 3.49 O ATOM 212 CB ALA A 15 15.245 6.078 -1.774 1.00 2.37 C ATOM 0 H ALA A 15 12.763 4.452 -2.495 1.00 1.85 H new ATOM 0 HA ALA A 15 14.509 4.867 -0.215 1.00 2.03 H new ATOM 0 HB1 ALA A 15 15.571 6.858 -1.086 1.00 2.37 H new ATOM 0 HB2 ALA A 15 16.080 5.410 -1.988 1.00 2.37 H new ATOM 0 HB3 ALA A 15 14.899 6.534 -2.701 1.00 2.37 H new ATOM 218 N SER A 16 12.915 7.454 -0.990 1.00 0.94 N ATOM 219 CA SER A 16 11.807 8.365 -0.707 1.00 1.08 C ATOM 220 C SER A 16 10.622 8.220 -1.670 1.00 1.29 C ATOM 221 O SER A 16 9.910 9.191 -1.915 1.00 2.25 O ATOM 222 CB SER A 16 12.352 9.797 -0.742 1.00 1.53 C ATOM 223 OG SER A 16 13.626 9.833 -0.121 1.00 1.86 O ATOM 0 H SER A 16 13.734 7.927 -1.371 1.00 0.94 H new ATOM 0 HA SER A 16 11.410 8.113 0.276 1.00 1.08 H new ATOM 0 HB2 SER A 16 12.428 10.143 -1.773 1.00 1.53 H new ATOM 0 HB3 SER A 16 11.666 10.471 -0.229 1.00 1.53 H new ATOM 0 HG SER A 16 13.976 10.748 -0.145 1.00 1.86 H new ATOM 229 N CYS A 17 10.384 7.020 -2.200 1.00 0.92 N ATOM 230 CA CYS A 17 9.247 6.736 -3.056 1.00 1.18 C ATOM 231 C CYS A 17 8.003 6.677 -2.176 1.00 1.17 C ATOM 232 O CYS A 17 6.967 7.260 -2.500 1.00 1.34 O ATOM 233 CB CYS A 17 9.487 5.419 -3.806 1.00 1.29 C ATOM 234 SG CYS A 17 8.570 5.432 -5.361 1.00 2.72 S ATOM 0 H CYS A 17 10.987 6.212 -2.041 1.00 0.92 H new ATOM 0 HA CYS A 17 9.109 7.513 -3.808 1.00 1.18 H new ATOM 0 HB2 CYS A 17 10.551 5.289 -4.001 1.00 1.29 H new ATOM 0 HB3 CYS A 17 9.170 4.576 -3.192 1.00 1.29 H new ATOM 0 HG CYS A 17 8.668 4.268 -5.932 1.00 2.72 H new ATOM 240 N VAL A 18 8.126 6.013 -1.017 1.00 1.02 N ATOM 241 CA VAL A 18 7.027 5.844 -0.074 1.00 1.05 C ATOM 242 C VAL A 18 6.341 7.169 0.212 1.00 1.09 C ATOM 243 O VAL A 18 5.126 7.232 0.159 1.00 1.18 O ATOM 244 CB VAL A 18 7.453 5.108 1.210 1.00 1.00 C ATOM 245 CG1 VAL A 18 7.668 5.980 2.452 1.00 2.27 C ATOM 246 CG2 VAL A 18 6.450 4.001 1.532 1.00 1.65 C ATOM 0 H VAL A 18 8.997 5.579 -0.713 1.00 1.02 H new ATOM 0 HA VAL A 18 6.292 5.196 -0.551 1.00 1.05 H new ATOM 0 HB VAL A 18 8.439 4.707 0.977 1.00 1.00 H new ATOM 0 HG11 VAL A 18 7.965 5.351 3.291 1.00 2.27 H new ATOM 0 HG12 VAL A 18 8.451 6.711 2.252 1.00 2.27 H new ATOM 0 HG13 VAL A 18 6.741 6.499 2.697 1.00 2.27 H new ATOM 0 HG21 VAL A 18 6.758 3.485 2.441 1.00 1.65 H new ATOM 0 HG22 VAL A 18 5.462 4.437 1.679 1.00 1.65 H new ATOM 0 HG23 VAL A 18 6.414 3.291 0.706 1.00 1.65 H new ATOM 256 N ALA A 19 7.111 8.233 0.445 1.00 1.10 N ATOM 257 CA ALA A 19 6.583 9.569 0.703 1.00 1.16 C ATOM 258 C ALA A 19 5.481 9.941 -0.300 1.00 1.16 C ATOM 259 O ALA A 19 4.441 10.492 0.069 1.00 1.19 O ATOM 260 CB ALA A 19 7.736 10.575 0.654 1.00 1.18 C ATOM 0 H ALA A 19 8.130 8.188 0.460 1.00 1.10 H new ATOM 0 HA ALA A 19 6.127 9.587 1.693 1.00 1.16 H new ATOM 0 HB1 ALA A 19 7.353 11.577 0.846 1.00 1.18 H new ATOM 0 HB2 ALA A 19 8.475 10.318 1.413 1.00 1.18 H new ATOM 0 HB3 ALA A 19 8.202 10.547 -0.331 1.00 1.18 H new ATOM 266 N ASN A 20 5.705 9.625 -1.581 1.00 1.15 N ATOM 267 CA ASN A 20 4.709 9.839 -2.616 1.00 1.14 C ATOM 268 C ASN A 20 3.547 8.866 -2.439 1.00 1.04 C ATOM 269 O ASN A 20 2.397 9.293 -2.371 1.00 1.00 O ATOM 270 CB ASN A 20 5.343 9.700 -4.001 1.00 1.27 C ATOM 271 CG ASN A 20 4.291 9.922 -5.085 1.00 1.31 C ATOM 272 OD1 ASN A 20 4.082 11.044 -5.531 1.00 1.67 O ATOM 273 ND2 ASN A 20 3.605 8.863 -5.509 1.00 1.40 N ATOM 0 H ASN A 20 6.577 9.218 -1.919 1.00 1.15 H new ATOM 0 HA ASN A 20 4.317 10.852 -2.527 1.00 1.14 H new ATOM 0 HB2 ASN A 20 6.151 10.423 -4.114 1.00 1.27 H new ATOM 0 HB3 ASN A 20 5.785 8.709 -4.109 1.00 1.27 H new ATOM 0 HD21 ASN A 20 2.885 8.974 -6.223 1.00 1.40 H new ATOM 0 HD22 ASN A 20 3.800 7.940 -5.120 1.00 1.40 H new ATOM 280 N ILE A 21 3.839 7.561 -2.385 1.00 1.03 N ATOM 281 CA ILE A 21 2.803 6.539 -2.236 1.00 0.98 C ATOM 282 C ILE A 21 1.887 6.873 -1.051 1.00 0.84 C ATOM 283 O ILE A 21 0.682 6.957 -1.255 1.00 0.93 O ATOM 284 CB ILE A 21 3.416 5.121 -2.133 1.00 1.00 C ATOM 285 CG1 ILE A 21 3.905 4.578 -3.492 1.00 1.08 C ATOM 286 CG2 ILE A 21 2.408 4.104 -1.597 1.00 0.99 C ATOM 287 CD1 ILE A 21 5.415 4.715 -3.671 1.00 2.21 C ATOM 0 H ILE A 21 4.787 7.190 -2.443 1.00 1.03 H new ATOM 0 HA ILE A 21 2.185 6.538 -3.134 1.00 0.98 H new ATOM 0 HB ILE A 21 4.259 5.237 -1.452 1.00 1.00 H new ATOM 0 HG12 ILE A 21 3.626 3.528 -3.581 1.00 1.08 H new ATOM 0 HG13 ILE A 21 3.398 5.112 -4.296 1.00 1.08 H new ATOM 0 HG21 ILE A 21 2.877 3.122 -1.540 1.00 0.99 H new ATOM 0 HG22 ILE A 21 2.079 4.407 -0.603 1.00 0.99 H new ATOM 0 HG23 ILE A 21 1.548 4.057 -2.265 1.00 0.99 H new ATOM 0 HD11 ILE A 21 5.704 4.317 -4.644 1.00 2.21 H new ATOM 0 HD12 ILE A 21 5.694 5.767 -3.611 1.00 2.21 H new ATOM 0 HD13 ILE A 21 5.926 4.159 -2.885 1.00 2.21 H new ATOM 299 N GLU A 22 2.417 7.095 0.151 1.00 0.70 N ATOM 300 CA GLU A 22 1.702 7.575 1.327 1.00 0.68 C ATOM 301 C GLU A 22 0.729 8.697 0.955 1.00 0.76 C ATOM 302 O GLU A 22 -0.474 8.570 1.163 1.00 0.85 O ATOM 303 CB GLU A 22 2.716 8.079 2.361 1.00 0.67 C ATOM 304 CG GLU A 22 3.559 6.968 3.012 1.00 0.65 C ATOM 305 CD GLU A 22 4.602 7.548 3.967 1.00 0.88 C ATOM 306 OE1 GLU A 22 4.877 8.762 3.848 1.00 1.94 O ATOM 307 OE2 GLU A 22 5.116 6.770 4.797 1.00 1.55 O ATOM 0 H GLU A 22 3.407 6.936 0.338 1.00 0.70 H new ATOM 0 HA GLU A 22 1.123 6.753 1.748 1.00 0.68 H new ATOM 0 HB2 GLU A 22 3.385 8.792 1.879 1.00 0.67 H new ATOM 0 HB3 GLU A 22 2.183 8.620 3.143 1.00 0.67 H new ATOM 0 HG2 GLU A 22 2.906 6.284 3.555 1.00 0.65 H new ATOM 0 HG3 GLU A 22 4.057 6.385 2.237 1.00 0.65 H new ATOM 314 N ARG A 23 1.231 9.791 0.376 1.00 0.78 N ATOM 315 CA ARG A 23 0.394 10.903 -0.064 1.00 0.88 C ATOM 316 C ARG A 23 -0.605 10.537 -1.168 1.00 0.97 C ATOM 317 O ARG A 23 -1.529 11.311 -1.414 1.00 1.38 O ATOM 318 CB ARG A 23 1.240 12.106 -0.508 1.00 1.10 C ATOM 319 CG ARG A 23 1.497 13.085 0.648 1.00 1.72 C ATOM 320 CD ARG A 23 1.617 14.532 0.139 1.00 2.01 C ATOM 321 NE ARG A 23 2.962 15.097 0.329 1.00 2.93 N ATOM 322 CZ ARG A 23 3.448 15.540 1.500 1.00 4.00 C ATOM 323 NH1 ARG A 23 2.748 15.341 2.621 1.00 4.74 N ATOM 324 NH2 ARG A 23 4.621 16.181 1.541 1.00 5.06 N ATOM 0 H ARG A 23 2.227 9.928 0.201 1.00 0.78 H new ATOM 0 HA ARG A 23 -0.192 11.173 0.814 1.00 0.88 H new ATOM 0 HB2 ARG A 23 2.193 11.753 -0.903 1.00 1.10 H new ATOM 0 HB3 ARG A 23 0.732 12.628 -1.319 1.00 1.10 H new ATOM 0 HG2 ARG A 23 0.685 13.018 1.372 1.00 1.72 H new ATOM 0 HG3 ARG A 23 2.412 12.803 1.169 1.00 1.72 H new ATOM 0 HD2 ARG A 23 1.363 14.561 -0.921 1.00 2.01 H new ATOM 0 HD3 ARG A 23 0.890 15.156 0.659 1.00 2.01 H new ATOM 0 HE ARG A 23 3.570 15.157 -0.488 1.00 2.93 H new ATOM 0 HH11 ARG A 23 1.852 14.856 2.583 1.00 4.74 H new ATOM 0 HH12 ARG A 23 3.110 15.674 3.514 1.00 4.74 H new ATOM 0 HH21 ARG A 23 5.149 16.334 0.682 1.00 5.06 H new ATOM 0 HH22 ARG A 23 4.988 16.517 2.432 1.00 5.06 H new ATOM 338 N ASN A 24 -0.460 9.389 -1.826 1.00 0.75 N ATOM 339 CA ASN A 24 -1.427 8.890 -2.779 1.00 0.81 C ATOM 340 C ASN A 24 -2.448 8.006 -2.030 1.00 0.75 C ATOM 341 O ASN A 24 -3.641 8.072 -2.315 1.00 0.79 O ATOM 342 CB ASN A 24 -0.635 8.230 -3.924 1.00 0.99 C ATOM 343 CG ASN A 24 -1.108 6.837 -4.267 1.00 1.52 C ATOM 344 OD1 ASN A 24 -1.910 6.625 -5.166 1.00 2.62 O ATOM 345 ND2 ASN A 24 -0.562 5.880 -3.539 1.00 2.23 N ATOM 0 H ASN A 24 0.347 8.777 -1.705 1.00 0.75 H new ATOM 0 HA ASN A 24 -2.039 9.660 -3.249 1.00 0.81 H new ATOM 0 HB2 ASN A 24 -0.707 8.857 -4.812 1.00 0.99 H new ATOM 0 HB3 ASN A 24 0.419 8.188 -3.648 1.00 0.99 H new ATOM 0 HD21 ASN A 24 -0.804 4.905 -3.714 1.00 2.23 H new ATOM 0 HD22 ASN A 24 0.102 6.116 -2.801 1.00 2.23 H new ATOM 352 N LEU A 25 -2.006 7.245 -1.019 1.00 0.85 N ATOM 353 CA LEU A 25 -2.822 6.284 -0.282 1.00 0.80 C ATOM 354 C LEU A 25 -3.642 6.918 0.841 1.00 0.68 C ATOM 355 O LEU A 25 -4.723 6.423 1.115 1.00 0.86 O ATOM 356 CB LEU A 25 -1.982 5.110 0.249 1.00 0.89 C ATOM 357 CG LEU A 25 -1.329 4.263 -0.857 1.00 1.63 C ATOM 358 CD1 LEU A 25 -0.576 3.076 -0.264 1.00 2.56 C ATOM 359 CD2 LEU A 25 -2.276 3.730 -1.942 1.00 2.09 C ATOM 0 H LEU A 25 -1.043 7.286 -0.686 1.00 0.85 H new ATOM 0 HA LEU A 25 -3.537 5.894 -1.006 1.00 0.80 H new ATOM 0 HB2 LEU A 25 -1.202 5.500 0.903 1.00 0.89 H new ATOM 0 HB3 LEU A 25 -2.617 4.467 0.858 1.00 0.89 H new ATOM 0 HG LEU A 25 -0.658 4.967 -1.349 1.00 1.63 H new ATOM 0 HD11 LEU A 25 -0.124 2.494 -1.067 1.00 2.56 H new ATOM 0 HD12 LEU A 25 0.204 3.438 0.405 1.00 2.56 H new ATOM 0 HD13 LEU A 25 -1.270 2.447 0.294 1.00 2.56 H new ATOM 0 HD21 LEU A 25 -1.707 3.148 -2.667 1.00 2.09 H new ATOM 0 HD22 LEU A 25 -3.035 3.096 -1.483 1.00 2.09 H new ATOM 0 HD23 LEU A 25 -2.759 4.567 -2.447 1.00 2.09 H new ATOM 371 N ARG A 26 -3.159 7.985 1.488 1.00 0.63 N ATOM 372 CA ARG A 26 -3.808 8.721 2.584 1.00 0.63 C ATOM 373 C ARG A 26 -5.290 8.380 2.808 1.00 1.13 C ATOM 374 O ARG A 26 -5.653 7.777 3.815 1.00 1.73 O ATOM 375 CB ARG A 26 -3.645 10.234 2.374 1.00 0.94 C ATOM 376 CG ARG A 26 -3.543 10.595 0.887 1.00 2.51 C ATOM 377 CD ARG A 26 -3.989 12.029 0.567 1.00 3.38 C ATOM 378 NE ARG A 26 -5.115 12.022 -0.385 1.00 5.23 N ATOM 379 CZ ARG A 26 -5.810 13.098 -0.782 1.00 6.50 C ATOM 380 NH1 ARG A 26 -5.476 14.311 -0.325 1.00 6.34 N ATOM 381 NH2 ARG A 26 -6.837 12.953 -1.628 1.00 8.30 N ATOM 0 H ARG A 26 -2.251 8.383 1.248 1.00 0.63 H new ATOM 0 HA ARG A 26 -3.295 8.398 3.490 1.00 0.63 H new ATOM 0 HB2 ARG A 26 -4.493 10.756 2.817 1.00 0.94 H new ATOM 0 HB3 ARG A 26 -2.751 10.579 2.894 1.00 0.94 H new ATOM 0 HG2 ARG A 26 -2.511 10.464 0.560 1.00 2.51 H new ATOM 0 HG3 ARG A 26 -4.151 9.898 0.311 1.00 2.51 H new ATOM 0 HD2 ARG A 26 -4.285 12.537 1.485 1.00 3.38 H new ATOM 0 HD3 ARG A 26 -3.154 12.590 0.147 1.00 3.38 H new ATOM 0 HE ARG A 26 -5.389 11.120 -0.775 1.00 5.23 H new ATOM 0 HH11 ARG A 26 -4.695 14.415 0.323 1.00 6.34 H new ATOM 0 HH12 ARG A 26 -6.002 15.132 -0.625 1.00 6.34 H new ATOM 0 HH21 ARG A 26 -7.090 12.026 -1.969 1.00 8.30 H new ATOM 0 HH22 ARG A 26 -7.367 13.770 -1.931 1.00 8.30 H new ATOM 395 N ARG A 27 -6.127 8.817 1.862 1.00 1.47 N ATOM 396 CA ARG A 27 -7.543 8.490 1.771 1.00 2.19 C ATOM 397 C ARG A 27 -7.843 7.660 0.515 1.00 1.54 C ATOM 398 O ARG A 27 -8.716 6.789 0.543 1.00 2.39 O ATOM 399 CB ARG A 27 -8.382 9.775 1.813 1.00 3.35 C ATOM 400 CG ARG A 27 -8.045 10.600 3.065 1.00 4.30 C ATOM 401 CD ARG A 27 -9.129 11.642 3.389 1.00 5.19 C ATOM 402 NE ARG A 27 -9.604 11.505 4.777 1.00 6.75 N ATOM 403 CZ ARG A 27 -8.958 11.930 5.877 1.00 7.58 C ATOM 404 NH1 ARG A 27 -7.805 12.597 5.758 1.00 7.24 N ATOM 405 NH2 ARG A 27 -9.465 11.680 7.089 1.00 9.36 N ATOM 0 H ARG A 27 -5.818 9.433 1.110 1.00 1.47 H new ATOM 0 HA ARG A 27 -7.815 7.876 2.630 1.00 2.19 H new ATOM 0 HB2 ARG A 27 -8.193 10.368 0.918 1.00 3.35 H new ATOM 0 HB3 ARG A 27 -9.443 9.524 1.811 1.00 3.35 H new ATOM 0 HG2 ARG A 27 -7.923 9.930 3.916 1.00 4.30 H new ATOM 0 HG3 ARG A 27 -7.091 11.106 2.918 1.00 4.30 H new ATOM 0 HD2 ARG A 27 -8.730 12.645 3.236 1.00 5.19 H new ATOM 0 HD3 ARG A 27 -9.967 11.524 2.702 1.00 5.19 H new ATOM 0 HE ARG A 27 -10.504 11.046 4.916 1.00 6.75 H new ATOM 0 HH11 ARG A 27 -7.416 12.783 4.833 1.00 7.24 H new ATOM 0 HH12 ARG A 27 -7.314 12.920 6.592 1.00 7.24 H new ATOM 0 HH21 ARG A 27 -10.342 11.167 7.179 1.00 9.36 H new ATOM 0 HH22 ARG A 27 -8.975 12.002 7.923 1.00 9.36 H new ATOM 419 N GLU A 28 -7.124 7.926 -0.587 1.00 0.74 N ATOM 420 CA GLU A 28 -7.266 7.203 -1.836 1.00 1.03 C ATOM 421 C GLU A 28 -8.735 7.233 -2.271 1.00 1.55 C ATOM 422 O GLU A 28 -9.384 8.270 -2.114 1.00 2.67 O ATOM 423 CB GLU A 28 -6.685 5.803 -1.611 1.00 0.97 C ATOM 424 CG GLU A 28 -6.155 5.132 -2.879 1.00 1.23 C ATOM 425 CD GLU A 28 -6.766 3.747 -3.049 1.00 1.79 C ATOM 426 OE1 GLU A 28 -8.016 3.710 -3.060 1.00 2.33 O ATOM 427 OE2 GLU A 28 -5.996 2.764 -3.078 1.00 2.73 O ATOM 0 H GLU A 28 -6.420 8.663 -0.624 1.00 0.74 H new ATOM 0 HA GLU A 28 -6.717 7.654 -2.662 1.00 1.03 H new ATOM 0 HB2 GLU A 28 -5.876 5.870 -0.884 1.00 0.97 H new ATOM 0 HB3 GLU A 28 -7.455 5.168 -1.173 1.00 0.97 H new ATOM 0 HG2 GLU A 28 -6.389 5.748 -3.748 1.00 1.23 H new ATOM 0 HG3 GLU A 28 -5.069 5.052 -2.828 1.00 1.23 H new ATOM 434 N GLU A 29 -9.267 6.105 -2.743 1.00 1.58 N ATOM 435 CA GLU A 29 -10.687 5.888 -2.949 1.00 2.02 C ATOM 436 C GLU A 29 -11.101 4.658 -2.135 1.00 1.89 C ATOM 437 O GLU A 29 -11.781 3.767 -2.640 1.00 2.08 O ATOM 438 CB GLU A 29 -10.966 5.739 -4.451 1.00 2.75 C ATOM 439 CG GLU A 29 -10.720 7.060 -5.194 1.00 3.47 C ATOM 440 CD GLU A 29 -10.991 6.915 -6.685 1.00 4.59 C ATOM 441 OE1 GLU A 29 -12.181 7.018 -7.054 1.00 4.73 O ATOM 442 OE2 GLU A 29 -10.004 6.711 -7.424 1.00 5.77 O ATOM 0 H GLU A 29 -8.699 5.297 -2.998 1.00 1.58 H new ATOM 0 HA GLU A 29 -11.281 6.735 -2.605 1.00 2.02 H new ATOM 0 HB2 GLU A 29 -10.327 4.960 -4.867 1.00 2.75 H new ATOM 0 HB3 GLU A 29 -11.997 5.420 -4.602 1.00 2.75 H new ATOM 0 HG2 GLU A 29 -11.362 7.838 -4.780 1.00 3.47 H new ATOM 0 HG3 GLU A 29 -9.690 7.380 -5.039 1.00 3.47 H new ATOM 449 N GLY A 30 -10.721 4.636 -0.851 1.00 1.72 N ATOM 450 CA GLY A 30 -11.054 3.531 0.043 1.00 1.63 C ATOM 451 C GLY A 30 -10.066 3.252 1.182 1.00 1.27 C ATOM 452 O GLY A 30 -10.191 2.202 1.816 1.00 1.54 O ATOM 0 H GLY A 30 -10.179 5.379 -0.410 1.00 1.72 H new ATOM 0 HA2 GLY A 30 -12.032 3.729 0.481 1.00 1.63 H new ATOM 0 HA3 GLY A 30 -11.150 2.625 -0.555 1.00 1.63 H new ATOM 456 N ILE A 31 -9.100 4.136 1.464 1.00 0.78 N ATOM 457 CA ILE A 31 -8.062 3.916 2.465 1.00 0.61 C ATOM 458 C ILE A 31 -8.278 4.852 3.660 1.00 0.66 C ATOM 459 O ILE A 31 -8.950 5.876 3.554 1.00 0.78 O ATOM 460 CB ILE A 31 -6.684 4.075 1.794 1.00 0.61 C ATOM 461 CG1 ILE A 31 -6.550 2.980 0.720 1.00 0.71 C ATOM 462 CG2 ILE A 31 -5.493 4.019 2.768 1.00 0.75 C ATOM 463 CD1 ILE A 31 -5.169 2.931 0.075 1.00 1.72 C ATOM 0 H ILE A 31 -9.021 5.037 0.992 1.00 0.78 H new ATOM 0 HA ILE A 31 -8.111 2.904 2.866 1.00 0.61 H new ATOM 0 HB ILE A 31 -6.644 5.074 1.359 1.00 0.61 H new ATOM 0 HG12 ILE A 31 -6.767 2.011 1.170 1.00 0.71 H new ATOM 0 HG13 ILE A 31 -7.299 3.147 -0.054 1.00 0.71 H new ATOM 0 HG21 ILE A 31 -4.563 4.139 2.213 1.00 0.75 H new ATOM 0 HG22 ILE A 31 -5.584 4.821 3.501 1.00 0.75 H new ATOM 0 HG23 ILE A 31 -5.488 3.057 3.281 1.00 0.75 H new ATOM 0 HD11 ILE A 31 -5.144 2.137 -0.672 1.00 1.72 H new ATOM 0 HD12 ILE A 31 -4.957 3.887 -0.404 1.00 1.72 H new ATOM 0 HD13 ILE A 31 -4.417 2.734 0.839 1.00 1.72 H new ATOM 475 N TYR A 32 -7.741 4.457 4.817 1.00 0.67 N ATOM 476 CA TYR A 32 -7.834 5.167 6.086 1.00 0.70 C ATOM 477 C TYR A 32 -6.470 5.437 6.725 1.00 0.54 C ATOM 478 O TYR A 32 -6.354 6.374 7.510 1.00 0.63 O ATOM 479 CB TYR A 32 -8.685 4.344 7.052 1.00 0.82 C ATOM 480 CG TYR A 32 -10.173 4.456 6.812 1.00 1.08 C ATOM 481 CD1 TYR A 32 -10.894 5.504 7.415 1.00 1.91 C ATOM 482 CD2 TYR A 32 -10.832 3.548 5.963 1.00 2.23 C ATOM 483 CE1 TYR A 32 -12.279 5.615 7.211 1.00 2.04 C ATOM 484 CE2 TYR A 32 -12.218 3.664 5.756 1.00 2.48 C ATOM 485 CZ TYR A 32 -12.940 4.697 6.378 1.00 1.71 C ATOM 486 OH TYR A 32 -14.286 4.786 6.191 1.00 2.05 O ATOM 0 H TYR A 32 -7.205 3.592 4.893 1.00 0.67 H new ATOM 0 HA TYR A 32 -8.288 6.136 5.882 1.00 0.70 H new ATOM 0 HB2 TYR A 32 -8.393 3.297 6.975 1.00 0.82 H new ATOM 0 HB3 TYR A 32 -8.467 4.661 8.072 1.00 0.82 H new ATOM 0 HD1 TYR A 32 -10.381 6.224 8.036 1.00 1.91 H new ATOM 0 HD2 TYR A 32 -10.275 2.764 5.472 1.00 2.23 H new ATOM 0 HE1 TYR A 32 -12.835 6.405 7.694 1.00 2.04 H new ATOM 0 HE2 TYR A 32 -12.729 2.958 5.118 1.00 2.48 H new ATOM 0 HH TYR A 32 -14.580 4.074 5.585 1.00 2.05 H new ATOM 496 N SER A 33 -5.464 4.596 6.469 1.00 0.40 N ATOM 497 CA SER A 33 -4.114 4.790 6.979 1.00 0.34 C ATOM 498 C SER A 33 -3.154 4.397 5.876 1.00 0.42 C ATOM 499 O SER A 33 -3.461 3.475 5.122 1.00 0.52 O ATOM 500 CB SER A 33 -3.859 3.927 8.220 1.00 0.51 C ATOM 501 OG SER A 33 -2.604 4.240 8.796 1.00 0.85 O ATOM 0 H SER A 33 -5.570 3.758 5.898 1.00 0.40 H new ATOM 0 HA SER A 33 -3.976 5.831 7.272 1.00 0.34 H new ATOM 0 HB2 SER A 33 -4.651 4.089 8.951 1.00 0.51 H new ATOM 0 HB3 SER A 33 -3.887 2.872 7.948 1.00 0.51 H new ATOM 0 HG SER A 33 -2.459 3.681 9.588 1.00 0.85 H new ATOM 507 N ILE A 34 -2.018 5.093 5.833 1.00 0.55 N ATOM 508 CA ILE A 34 -0.939 4.934 4.873 1.00 0.75 C ATOM 509 C ILE A 34 -0.004 3.799 5.299 1.00 0.58 C ATOM 510 O ILE A 34 0.091 3.493 6.486 1.00 0.55 O ATOM 511 CB ILE A 34 -0.154 6.254 4.782 1.00 1.10 C ATOM 512 CG1 ILE A 34 0.415 6.709 6.145 1.00 2.37 C ATOM 513 CG2 ILE A 34 -1.038 7.364 4.220 1.00 1.10 C ATOM 514 CD1 ILE A 34 1.935 6.822 6.105 1.00 3.32 C ATOM 0 H ILE A 34 -1.820 5.827 6.513 1.00 0.55 H new ATOM 0 HA ILE A 34 -1.358 4.684 3.898 1.00 0.75 H new ATOM 0 HB ILE A 34 0.686 6.063 4.115 1.00 1.10 H new ATOM 0 HG12 ILE A 34 -0.016 7.673 6.417 1.00 2.37 H new ATOM 0 HG13 ILE A 34 0.122 5.999 6.918 1.00 2.37 H new ATOM 0 HG21 ILE A 34 -0.466 8.290 4.163 1.00 1.10 H new ATOM 0 HG22 ILE A 34 -1.381 7.087 3.223 1.00 1.10 H new ATOM 0 HG23 ILE A 34 -1.899 7.509 4.872 1.00 1.10 H new ATOM 0 HD11 ILE A 34 2.302 7.144 7.080 1.00 3.32 H new ATOM 0 HD12 ILE A 34 2.366 5.852 5.858 1.00 3.32 H new ATOM 0 HD13 ILE A 34 2.226 7.551 5.349 1.00 3.32 H new ATOM 526 N LEU A 35 0.709 3.211 4.335 1.00 0.59 N ATOM 527 CA LEU A 35 1.707 2.192 4.581 1.00 0.57 C ATOM 528 C LEU A 35 3.027 2.800 5.005 1.00 0.59 C ATOM 529 O LEU A 35 3.440 3.824 4.476 1.00 0.91 O ATOM 530 CB LEU A 35 1.918 1.316 3.342 1.00 0.62 C ATOM 531 CG LEU A 35 2.434 1.978 2.045 1.00 0.75 C ATOM 532 CD1 LEU A 35 3.964 1.965 1.929 1.00 1.51 C ATOM 533 CD2 LEU A 35 1.890 1.209 0.831 1.00 1.66 C ATOM 0 H LEU A 35 0.600 3.441 3.347 1.00 0.59 H new ATOM 0 HA LEU A 35 1.334 1.570 5.395 1.00 0.57 H new ATOM 0 HB2 LEU A 35 2.619 0.526 3.611 1.00 0.62 H new ATOM 0 HB3 LEU A 35 0.968 0.834 3.112 1.00 0.62 H new ATOM 0 HG LEU A 35 2.093 3.013 2.074 1.00 0.75 H new ATOM 0 HD11 LEU A 35 4.262 2.444 0.997 1.00 1.51 H new ATOM 0 HD12 LEU A 35 4.397 2.506 2.770 1.00 1.51 H new ATOM 0 HD13 LEU A 35 4.321 0.935 1.938 1.00 1.51 H new ATOM 0 HD21 LEU A 35 2.252 1.674 -0.086 1.00 1.66 H new ATOM 0 HD22 LEU A 35 2.231 0.175 0.873 1.00 1.66 H new ATOM 0 HD23 LEU A 35 0.800 1.233 0.844 1.00 1.66 H new ATOM 545 N VAL A 36 3.689 2.134 5.951 1.00 0.36 N ATOM 546 CA VAL A 36 5.019 2.484 6.392 1.00 0.34 C ATOM 547 C VAL A 36 5.690 1.285 7.074 1.00 0.36 C ATOM 548 O VAL A 36 5.435 1.015 8.244 1.00 0.58 O ATOM 549 CB VAL A 36 4.949 3.742 7.279 1.00 0.49 C ATOM 550 CG1 VAL A 36 3.819 3.662 8.319 1.00 0.47 C ATOM 551 CG2 VAL A 36 6.300 4.022 7.944 1.00 0.73 C ATOM 0 H VAL A 36 3.301 1.324 6.434 1.00 0.36 H new ATOM 0 HA VAL A 36 5.650 2.732 5.539 1.00 0.34 H new ATOM 0 HB VAL A 36 4.713 4.581 6.624 1.00 0.49 H new ATOM 0 HG11 VAL A 36 3.812 4.572 8.919 1.00 0.47 H new ATOM 0 HG12 VAL A 36 2.862 3.556 7.809 1.00 0.47 H new ATOM 0 HG13 VAL A 36 3.982 2.801 8.968 1.00 0.47 H new ATOM 0 HG21 VAL A 36 6.222 4.915 8.564 1.00 0.73 H new ATOM 0 HG22 VAL A 36 6.583 3.172 8.565 1.00 0.73 H new ATOM 0 HG23 VAL A 36 7.058 4.178 7.176 1.00 0.73 H new ATOM 561 N ALA A 37 6.583 0.575 6.378 1.00 0.37 N ATOM 562 CA ALA A 37 7.527 -0.320 7.040 1.00 0.43 C ATOM 563 C ALA A 37 8.784 -0.515 6.184 1.00 0.48 C ATOM 564 O ALA A 37 9.306 -1.625 6.059 1.00 0.53 O ATOM 565 CB ALA A 37 6.847 -1.628 7.463 1.00 0.45 C ATOM 0 H ALA A 37 6.669 0.604 5.362 1.00 0.37 H new ATOM 0 HA ALA A 37 7.867 0.142 7.967 1.00 0.43 H new ATOM 0 HB1 ALA A 37 7.575 -2.274 7.953 1.00 0.45 H new ATOM 0 HB2 ALA A 37 6.033 -1.408 8.154 1.00 0.45 H new ATOM 0 HB3 ALA A 37 6.449 -2.132 6.583 1.00 0.45 H new ATOM 571 N LEU A 38 9.311 0.596 5.651 1.00 0.53 N ATOM 572 CA LEU A 38 10.592 0.660 4.943 1.00 0.62 C ATOM 573 C LEU A 38 11.707 0.090 5.829 1.00 0.71 C ATOM 574 O LEU A 38 12.609 -0.573 5.329 1.00 0.81 O ATOM 575 CB LEU A 38 10.877 2.123 4.549 1.00 0.71 C ATOM 576 CG LEU A 38 11.694 2.297 3.255 1.00 0.76 C ATOM 577 CD1 LEU A 38 11.785 3.789 2.909 1.00 1.17 C ATOM 578 CD2 LEU A 38 13.117 1.735 3.318 1.00 1.82 C ATOM 0 H LEU A 38 8.842 1.500 5.703 1.00 0.53 H new ATOM 0 HA LEU A 38 10.550 0.058 4.035 1.00 0.62 H new ATOM 0 HB2 LEU A 38 9.927 2.645 4.435 1.00 0.71 H new ATOM 0 HB3 LEU A 38 11.411 2.607 5.367 1.00 0.71 H new ATOM 0 HG LEU A 38 11.162 1.726 2.494 1.00 0.76 H new ATOM 0 HD11 LEU A 38 12.363 3.916 1.993 1.00 1.17 H new ATOM 0 HD12 LEU A 38 10.782 4.191 2.764 1.00 1.17 H new ATOM 0 HD13 LEU A 38 12.275 4.322 3.724 1.00 1.17 H new ATOM 0 HD21 LEU A 38 13.617 1.902 2.364 1.00 1.82 H new ATOM 0 HD22 LEU A 38 13.672 2.237 4.111 1.00 1.82 H new ATOM 0 HD23 LEU A 38 13.077 0.665 3.524 1.00 1.82 H new ATOM 590 N MET A 39 11.601 0.300 7.151 1.00 0.74 N ATOM 591 CA MET A 39 12.479 -0.265 8.177 1.00 0.87 C ATOM 592 C MET A 39 12.924 -1.700 7.882 1.00 0.86 C ATOM 593 O MET A 39 14.052 -2.073 8.198 1.00 0.98 O ATOM 594 CB MET A 39 11.822 -0.151 9.566 1.00 0.92 C ATOM 595 CG MET A 39 10.424 -0.780 9.656 1.00 2.02 C ATOM 596 SD MET A 39 9.822 -1.101 11.335 1.00 2.92 S ATOM 597 CE MET A 39 8.421 0.038 11.421 1.00 3.83 C ATOM 0 H MET A 39 10.870 0.893 7.545 1.00 0.74 H new ATOM 0 HA MET A 39 13.393 0.328 8.167 1.00 0.87 H new ATOM 0 HB2 MET A 39 12.470 -0.627 10.302 1.00 0.92 H new ATOM 0 HB3 MET A 39 11.752 0.903 9.837 1.00 0.92 H new ATOM 0 HG2 MET A 39 9.715 -0.122 9.154 1.00 2.02 H new ATOM 0 HG3 MET A 39 10.431 -1.720 9.105 1.00 2.02 H new ATOM 0 HE1 MET A 39 7.945 -0.043 12.398 1.00 3.83 H new ATOM 0 HE2 MET A 39 8.772 1.059 11.272 1.00 3.83 H new ATOM 0 HE3 MET A 39 7.699 -0.214 10.644 1.00 3.83 H new ATOM 607 N ALA A 40 12.036 -2.497 7.285 1.00 0.78 N ATOM 608 CA ALA A 40 12.332 -3.840 6.816 1.00 0.88 C ATOM 609 C ALA A 40 12.147 -3.934 5.297 1.00 0.83 C ATOM 610 O ALA A 40 12.990 -4.492 4.600 1.00 1.01 O ATOM 611 CB ALA A 40 11.421 -4.800 7.571 1.00 1.05 C ATOM 0 H ALA A 40 11.071 -2.215 7.113 1.00 0.78 H new ATOM 0 HA ALA A 40 13.372 -4.103 7.010 1.00 0.88 H new ATOM 0 HB1 ALA A 40 11.617 -5.821 7.243 1.00 1.05 H new ATOM 0 HB2 ALA A 40 11.614 -4.719 8.641 1.00 1.05 H new ATOM 0 HB3 ALA A 40 10.380 -4.548 7.370 1.00 1.05 H new ATOM 617 N GLY A 41 11.031 -3.401 4.793 1.00 0.72 N ATOM 618 CA GLY A 41 10.661 -3.387 3.384 1.00 0.78 C ATOM 619 C GLY A 41 9.241 -3.922 3.227 1.00 0.83 C ATOM 620 O GLY A 41 8.988 -4.794 2.401 1.00 1.06 O ATOM 0 H GLY A 41 10.334 -2.949 5.385 1.00 0.72 H new ATOM 0 HA2 GLY A 41 10.725 -2.373 2.990 1.00 0.78 H new ATOM 0 HA3 GLY A 41 11.357 -3.997 2.808 1.00 0.78 H new ATOM 624 N LYS A 42 8.318 -3.419 4.051 1.00 0.67 N ATOM 625 CA LYS A 42 6.922 -3.828 4.091 1.00 0.61 C ATOM 626 C LYS A 42 6.032 -2.587 4.109 1.00 0.52 C ATOM 627 O LYS A 42 6.528 -1.458 4.129 1.00 0.51 O ATOM 628 CB LYS A 42 6.672 -4.728 5.310 1.00 0.65 C ATOM 629 CG LYS A 42 7.265 -6.124 5.089 1.00 0.81 C ATOM 630 CD LYS A 42 7.050 -7.057 6.287 1.00 1.39 C ATOM 631 CE LYS A 42 7.667 -6.474 7.569 1.00 1.80 C ATOM 632 NZ LYS A 42 7.867 -7.501 8.611 1.00 2.70 N ATOM 0 H LYS A 42 8.536 -2.690 4.731 1.00 0.67 H new ATOM 0 HA LYS A 42 6.678 -4.408 3.201 1.00 0.61 H new ATOM 0 HB2 LYS A 42 7.115 -4.276 6.198 1.00 0.65 H new ATOM 0 HB3 LYS A 42 5.601 -4.808 5.494 1.00 0.65 H new ATOM 0 HG2 LYS A 42 6.814 -6.569 4.202 1.00 0.81 H new ATOM 0 HG3 LYS A 42 8.333 -6.033 4.892 1.00 0.81 H new ATOM 0 HD2 LYS A 42 5.983 -7.220 6.436 1.00 1.39 H new ATOM 0 HD3 LYS A 42 7.495 -8.030 6.077 1.00 1.39 H new ATOM 0 HE2 LYS A 42 8.624 -6.010 7.331 1.00 1.80 H new ATOM 0 HE3 LYS A 42 7.019 -5.688 7.956 1.00 1.80 H new ATOM 0 HZ1 LYS A 42 8.285 -7.062 9.456 1.00 2.70 H new ATOM 0 HZ2 LYS A 42 6.951 -7.927 8.859 1.00 2.70 H new ATOM 0 HZ3 LYS A 42 8.506 -8.239 8.253 1.00 2.70 H new ATOM 646 N ALA A 43 4.719 -2.812 4.088 1.00 0.49 N ATOM 647 CA ALA A 43 3.702 -1.797 3.973 1.00 0.39 C ATOM 648 C ALA A 43 2.480 -2.217 4.791 1.00 0.35 C ATOM 649 O ALA A 43 2.091 -3.383 4.765 1.00 0.41 O ATOM 650 CB ALA A 43 3.341 -1.685 2.494 1.00 0.49 C ATOM 0 H ALA A 43 4.330 -3.753 4.154 1.00 0.49 H new ATOM 0 HA ALA A 43 4.052 -0.836 4.349 1.00 0.39 H new ATOM 0 HB1 ALA A 43 2.571 -0.924 2.364 1.00 0.49 H new ATOM 0 HB2 ALA A 43 4.227 -1.406 1.923 1.00 0.49 H new ATOM 0 HB3 ALA A 43 2.967 -2.645 2.137 1.00 0.49 H new ATOM 656 N GLU A 44 1.874 -1.267 5.508 1.00 0.41 N ATOM 657 CA GLU A 44 0.706 -1.520 6.342 1.00 0.47 C ATOM 658 C GLU A 44 -0.331 -0.429 6.084 1.00 0.50 C ATOM 659 O GLU A 44 -0.395 0.553 6.818 1.00 0.60 O ATOM 660 CB GLU A 44 1.154 -1.611 7.812 1.00 0.54 C ATOM 661 CG GLU A 44 -0.018 -1.982 8.727 1.00 2.04 C ATOM 662 CD GLU A 44 0.428 -2.261 10.159 1.00 1.96 C ATOM 663 OE1 GLU A 44 1.322 -3.122 10.324 1.00 2.01 O ATOM 664 OE2 GLU A 44 -0.143 -1.626 11.068 1.00 2.79 O ATOM 0 H GLU A 44 2.185 -0.296 5.523 1.00 0.41 H new ATOM 0 HA GLU A 44 0.232 -2.470 6.097 1.00 0.47 H new ATOM 0 HB2 GLU A 44 1.944 -2.356 7.909 1.00 0.54 H new ATOM 0 HB3 GLU A 44 1.576 -0.656 8.126 1.00 0.54 H new ATOM 0 HG2 GLU A 44 -0.746 -1.171 8.728 1.00 2.04 H new ATOM 0 HG3 GLU A 44 -0.522 -2.862 8.328 1.00 2.04 H new ATOM 671 N VAL A 45 -1.117 -0.575 5.014 1.00 0.56 N ATOM 672 CA VAL A 45 -2.193 0.361 4.709 1.00 0.54 C ATOM 673 C VAL A 45 -3.466 -0.125 5.416 1.00 0.53 C ATOM 674 O VAL A 45 -3.554 -1.294 5.796 1.00 0.68 O ATOM 675 CB VAL A 45 -2.389 0.530 3.182 1.00 0.65 C ATOM 676 CG1 VAL A 45 -1.918 1.894 2.674 1.00 2.55 C ATOM 677 CG2 VAL A 45 -1.696 -0.521 2.300 1.00 2.09 C ATOM 0 H VAL A 45 -1.024 -1.338 4.343 1.00 0.56 H new ATOM 0 HA VAL A 45 -1.938 1.354 5.079 1.00 0.54 H new ATOM 0 HB VAL A 45 -3.468 0.410 3.084 1.00 0.65 H new ATOM 0 HG11 VAL A 45 -2.079 1.957 1.598 1.00 2.55 H new ATOM 0 HG12 VAL A 45 -2.482 2.682 3.172 1.00 2.55 H new ATOM 0 HG13 VAL A 45 -0.857 2.016 2.890 1.00 2.55 H new ATOM 0 HG21 VAL A 45 -1.900 -0.307 1.251 1.00 2.09 H new ATOM 0 HG22 VAL A 45 -0.621 -0.491 2.475 1.00 2.09 H new ATOM 0 HG23 VAL A 45 -2.076 -1.512 2.548 1.00 2.09 H new ATOM 687 N ARG A 46 -4.460 0.752 5.608 1.00 0.57 N ATOM 688 CA ARG A 46 -5.756 0.362 6.173 1.00 0.56 C ATOM 689 C ARG A 46 -6.887 0.709 5.219 1.00 0.53 C ATOM 690 O ARG A 46 -6.888 1.815 4.691 1.00 0.59 O ATOM 691 CB ARG A 46 -5.969 0.989 7.554 1.00 0.57 C ATOM 692 CG ARG A 46 -7.137 0.304 8.278 1.00 0.62 C ATOM 693 CD ARG A 46 -7.322 0.879 9.688 1.00 0.80 C ATOM 694 NE ARG A 46 -8.042 2.166 9.667 1.00 1.91 N ATOM 695 CZ ARG A 46 -8.100 3.043 10.685 1.00 2.41 C ATOM 696 NH1 ARG A 46 -7.350 2.859 11.777 1.00 1.97 N ATOM 697 NH2 ARG A 46 -8.918 4.101 10.612 1.00 4.00 N ATOM 0 H ARG A 46 -4.389 1.743 5.378 1.00 0.57 H new ATOM 0 HA ARG A 46 -5.756 -0.720 6.306 1.00 0.56 H new ATOM 0 HB2 ARG A 46 -5.060 0.895 8.147 1.00 0.57 H new ATOM 0 HB3 ARG A 46 -6.172 2.055 7.449 1.00 0.57 H new ATOM 0 HG2 ARG A 46 -8.054 0.437 7.704 1.00 0.62 H new ATOM 0 HG3 ARG A 46 -6.953 -0.768 8.340 1.00 0.62 H new ATOM 0 HD2 ARG A 46 -7.872 0.165 10.302 1.00 0.80 H new ATOM 0 HD3 ARG A 46 -6.347 1.016 10.155 1.00 0.80 H new ATOM 0 HE ARG A 46 -8.537 2.411 8.809 1.00 1.91 H new ATOM 0 HH11 ARG A 46 -6.731 2.051 11.840 1.00 1.97 H new ATOM 0 HH12 ARG A 46 -7.397 3.527 12.547 1.00 1.97 H new ATOM 0 HH21 ARG A 46 -9.497 4.242 9.784 1.00 4.00 H new ATOM 0 HH22 ARG A 46 -8.962 4.766 11.384 1.00 4.00 H new ATOM 711 N TYR A 47 -7.846 -0.204 5.011 1.00 0.57 N ATOM 712 CA TYR A 47 -8.850 -0.078 3.962 1.00 0.62 C ATOM 713 C TYR A 47 -10.191 -0.672 4.405 1.00 0.57 C ATOM 714 O TYR A 47 -10.473 -0.779 5.600 1.00 0.64 O ATOM 715 CB TYR A 47 -8.324 -0.723 2.665 1.00 0.77 C ATOM 716 CG TYR A 47 -8.443 -2.239 2.596 1.00 0.78 C ATOM 717 CD1 TYR A 47 -7.808 -3.045 3.558 1.00 1.63 C ATOM 718 CD2 TYR A 47 -9.228 -2.845 1.595 1.00 2.37 C ATOM 719 CE1 TYR A 47 -7.975 -4.437 3.534 1.00 1.64 C ATOM 720 CE2 TYR A 47 -9.365 -4.241 1.554 1.00 2.40 C ATOM 721 CZ TYR A 47 -8.717 -5.040 2.511 1.00 0.95 C ATOM 722 OH TYR A 47 -8.865 -6.392 2.500 1.00 1.12 O ATOM 0 H TYR A 47 -7.942 -1.051 5.571 1.00 0.57 H new ATOM 0 HA TYR A 47 -9.033 0.978 3.764 1.00 0.62 H new ATOM 0 HB2 TYR A 47 -8.864 -0.294 1.821 1.00 0.77 H new ATOM 0 HB3 TYR A 47 -7.275 -0.452 2.544 1.00 0.77 H new ATOM 0 HD1 TYR A 47 -7.190 -2.590 4.318 1.00 1.63 H new ATOM 0 HD2 TYR A 47 -9.726 -2.233 0.857 1.00 2.37 H new ATOM 0 HE1 TYR A 47 -7.530 -5.046 4.307 1.00 1.64 H new ATOM 0 HE2 TYR A 47 -9.969 -4.702 0.786 1.00 2.40 H new ATOM 0 HH TYR A 47 -8.845 -6.731 3.419 1.00 1.12 H new ATOM 732 N ASN A 48 -11.023 -1.054 3.431 1.00 0.63 N ATOM 733 CA ASN A 48 -12.330 -1.642 3.664 1.00 0.75 C ATOM 734 C ASN A 48 -12.667 -2.629 2.534 1.00 0.80 C ATOM 735 O ASN A 48 -13.047 -2.176 1.450 1.00 0.91 O ATOM 736 CB ASN A 48 -13.358 -0.501 3.735 1.00 0.96 C ATOM 737 CG ASN A 48 -14.304 -0.629 4.926 1.00 1.30 C ATOM 738 OD1 ASN A 48 -15.288 -1.372 4.892 1.00 1.80 O ATOM 739 ND2 ASN A 48 -14.026 0.109 5.997 1.00 2.67 N ATOM 0 H ASN A 48 -10.795 -0.958 2.442 1.00 0.63 H new ATOM 0 HA ASN A 48 -12.344 -2.199 4.601 1.00 0.75 H new ATOM 0 HB2 ASN A 48 -12.832 0.452 3.795 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -13.941 -0.486 2.814 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -14.633 0.069 6.816 1.00 2.67 H new ATOM 0 HD22 ASN A 48 -13.206 0.715 6.000 1.00 2.67 H new ATOM 746 N PRO A 49 -12.543 -3.958 2.726 1.00 0.78 N ATOM 747 CA PRO A 49 -12.913 -4.935 1.708 1.00 0.89 C ATOM 748 C PRO A 49 -14.438 -5.019 1.568 1.00 1.02 C ATOM 749 O PRO A 49 -15.057 -6.011 1.942 1.00 1.17 O ATOM 750 CB PRO A 49 -12.281 -6.264 2.145 1.00 0.92 C ATOM 751 CG PRO A 49 -12.169 -6.125 3.661 1.00 0.87 C ATOM 752 CD PRO A 49 -11.950 -4.628 3.875 1.00 0.78 C ATOM 0 HA PRO A 49 -12.548 -4.657 0.719 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -12.902 -7.115 1.865 1.00 0.92 H new ATOM 0 HB3 PRO A 49 -11.306 -6.416 1.683 1.00 0.92 H new ATOM 0 HG2 PRO A 49 -13.072 -6.473 4.162 1.00 0.87 H new ATOM 0 HG3 PRO A 49 -11.339 -6.711 4.056 1.00 0.87 H new ATOM 0 HD2 PRO A 49 -12.417 -4.296 4.802 1.00 0.78 H new ATOM 0 HD3 PRO A 49 -10.887 -4.398 3.953 1.00 0.78 H new ATOM 760 N ALA A 50 -15.036 -3.956 1.026 1.00 0.99 N ATOM 761 CA ALA A 50 -16.467 -3.782 0.833 1.00 1.11 C ATOM 762 C ALA A 50 -16.715 -2.447 0.132 1.00 0.84 C ATOM 763 O ALA A 50 -17.435 -2.384 -0.857 1.00 0.99 O ATOM 764 CB ALA A 50 -17.184 -3.800 2.185 1.00 1.78 C ATOM 0 H ALA A 50 -14.501 -3.153 0.694 1.00 0.99 H new ATOM 0 HA ALA A 50 -16.855 -4.597 0.221 1.00 1.11 H new ATOM 0 HB1 ALA A 50 -18.255 -3.669 2.031 1.00 1.78 H new ATOM 0 HB2 ALA A 50 -17.003 -4.754 2.680 1.00 1.78 H new ATOM 0 HB3 ALA A 50 -16.806 -2.990 2.808 1.00 1.78 H new ATOM 770 N VAL A 51 -16.111 -1.375 0.657 1.00 1.17 N ATOM 771 CA VAL A 51 -16.253 -0.032 0.109 1.00 1.69 C ATOM 772 C VAL A 51 -15.573 0.015 -1.255 1.00 1.41 C ATOM 773 O VAL A 51 -16.108 0.572 -2.208 1.00 2.24 O ATOM 774 CB VAL A 51 -15.601 0.988 1.060 1.00 2.30 C ATOM 775 CG1 VAL A 51 -15.776 2.425 0.554 1.00 2.87 C ATOM 776 CG2 VAL A 51 -16.245 0.916 2.455 1.00 3.29 C ATOM 0 H VAL A 51 -15.508 -1.421 1.478 1.00 1.17 H new ATOM 0 HA VAL A 51 -17.309 0.217 0.001 1.00 1.69 H new ATOM 0 HB VAL A 51 -14.542 0.736 1.105 1.00 2.30 H new ATOM 0 HG11 VAL A 51 -15.303 3.116 1.251 1.00 2.87 H new ATOM 0 HG12 VAL A 51 -15.311 2.524 -0.427 1.00 2.87 H new ATOM 0 HG13 VAL A 51 -16.838 2.657 0.478 1.00 2.87 H new ATOM 0 HG21 VAL A 51 -15.771 1.644 3.113 1.00 3.29 H new ATOM 0 HG22 VAL A 51 -17.309 1.137 2.376 1.00 3.29 H new ATOM 0 HG23 VAL A 51 -16.112 -0.085 2.866 1.00 3.29 H new ATOM 786 N ILE A 52 -14.363 -0.545 -1.298 1.00 0.99 N ATOM 787 CA ILE A 52 -13.468 -0.476 -2.434 1.00 1.32 C ATOM 788 C ILE A 52 -13.337 -1.885 -3.022 1.00 1.65 C ATOM 789 O ILE A 52 -14.189 -2.266 -3.817 1.00 3.06 O ATOM 790 CB ILE A 52 -12.204 0.299 -2.001 1.00 1.27 C ATOM 791 CG1 ILE A 52 -11.128 0.470 -3.084 1.00 1.81 C ATOM 792 CG2 ILE A 52 -11.639 -0.075 -0.616 1.00 0.91 C ATOM 793 CD1 ILE A 52 -10.105 -0.652 -3.143 1.00 3.13 C ATOM 0 H ILE A 52 -13.976 -1.073 -0.516 1.00 0.99 H new ATOM 0 HA ILE A 52 -13.825 0.105 -3.284 1.00 1.32 H new ATOM 0 HB ILE A 52 -12.599 1.305 -1.863 1.00 1.27 H new ATOM 0 HG12 ILE A 52 -11.618 0.549 -4.055 1.00 1.81 H new ATOM 0 HG13 ILE A 52 -10.606 1.411 -2.913 1.00 1.81 H new ATOM 0 HG21 ILE A 52 -10.754 0.526 -0.410 1.00 0.91 H new ATOM 0 HG22 ILE A 52 -12.393 0.115 0.148 1.00 0.91 H new ATOM 0 HG23 ILE A 52 -11.370 -1.131 -0.606 1.00 0.91 H new ATOM 0 HD11 ILE A 52 -9.385 -0.447 -3.936 1.00 3.13 H new ATOM 0 HD12 ILE A 52 -9.584 -0.720 -2.188 1.00 3.13 H new ATOM 0 HD13 ILE A 52 -10.611 -1.595 -3.347 1.00 3.13 H new ATOM 805 N GLN A 53 -12.334 -2.675 -2.616 1.00 0.68 N ATOM 806 CA GLN A 53 -12.027 -4.021 -3.124 1.00 0.75 C ATOM 807 C GLN A 53 -10.585 -4.418 -2.733 1.00 0.66 C ATOM 808 O GLN A 53 -9.650 -3.678 -3.034 1.00 0.58 O ATOM 809 CB GLN A 53 -12.191 -4.116 -4.661 1.00 0.82 C ATOM 810 CG GLN A 53 -13.467 -4.835 -5.130 1.00 1.36 C ATOM 811 CD GLN A 53 -13.273 -6.344 -5.232 1.00 1.97 C ATOM 812 OE1 GLN A 53 -12.557 -6.824 -6.102 1.00 3.24 O ATOM 813 NE2 GLN A 53 -13.894 -7.115 -4.345 1.00 1.78 N ATOM 0 H GLN A 53 -11.682 -2.379 -1.889 1.00 0.68 H new ATOM 0 HA GLN A 53 -12.740 -4.709 -2.669 1.00 0.75 H new ATOM 0 HB2 GLN A 53 -12.185 -3.108 -5.076 1.00 0.82 H new ATOM 0 HB3 GLN A 53 -11.326 -4.635 -5.073 1.00 0.82 H new ATOM 0 HG2 GLN A 53 -14.279 -4.621 -4.435 1.00 1.36 H new ATOM 0 HG3 GLN A 53 -13.767 -4.442 -6.102 1.00 1.36 H new ATOM 0 HE21 GLN A 53 -14.486 -6.694 -3.629 1.00 1.78 H new ATOM 0 HE22 GLN A 53 -13.779 -8.128 -4.381 1.00 1.78 H new ATOM 822 N PRO A 54 -10.363 -5.582 -2.098 1.00 0.82 N ATOM 823 CA PRO A 54 -9.033 -6.034 -1.699 1.00 0.85 C ATOM 824 C PRO A 54 -7.997 -6.190 -2.825 1.00 0.78 C ATOM 825 O PRO A 54 -6.828 -5.908 -2.568 1.00 1.01 O ATOM 826 CB PRO A 54 -9.230 -7.320 -0.894 1.00 1.05 C ATOM 827 CG PRO A 54 -10.634 -7.799 -1.254 1.00 1.19 C ATOM 828 CD PRO A 54 -11.378 -6.536 -1.676 1.00 1.06 C ATOM 0 HA PRO A 54 -8.576 -5.245 -1.101 1.00 0.85 H new ATOM 0 HB2 PRO A 54 -8.479 -8.067 -1.153 1.00 1.05 H new ATOM 0 HB3 PRO A 54 -9.139 -7.134 0.176 1.00 1.05 H new ATOM 0 HG2 PRO A 54 -10.608 -8.531 -2.061 1.00 1.19 H new ATOM 0 HG3 PRO A 54 -11.119 -8.279 -0.404 1.00 1.19 H new ATOM 0 HD2 PRO A 54 -12.073 -6.748 -2.488 1.00 1.06 H new ATOM 0 HD3 PRO A 54 -11.966 -6.137 -0.849 1.00 1.06 H new ATOM 836 N PRO A 55 -8.324 -6.624 -4.055 1.00 0.67 N ATOM 837 CA PRO A 55 -7.348 -6.559 -5.133 1.00 0.76 C ATOM 838 C PRO A 55 -7.057 -5.106 -5.515 1.00 0.81 C ATOM 839 O PRO A 55 -5.898 -4.744 -5.713 1.00 1.29 O ATOM 840 CB PRO A 55 -7.928 -7.388 -6.282 1.00 0.92 C ATOM 841 CG PRO A 55 -9.434 -7.341 -6.037 1.00 0.91 C ATOM 842 CD PRO A 55 -9.542 -7.282 -4.514 1.00 0.76 C ATOM 0 HA PRO A 55 -6.381 -6.968 -4.841 1.00 0.76 H new ATOM 0 HB2 PRO A 55 -7.667 -6.966 -7.252 1.00 0.92 H new ATOM 0 HB3 PRO A 55 -7.552 -8.411 -6.268 1.00 0.92 H new ATOM 0 HG2 PRO A 55 -9.891 -6.470 -6.506 1.00 0.91 H new ATOM 0 HG3 PRO A 55 -9.935 -8.220 -6.442 1.00 0.91 H new ATOM 0 HD2 PRO A 55 -10.427 -6.725 -4.206 1.00 0.76 H new ATOM 0 HD3 PRO A 55 -9.630 -8.282 -4.089 1.00 0.76 H new ATOM 850 N MET A 56 -8.094 -4.263 -5.581 1.00 0.55 N ATOM 851 CA MET A 56 -7.980 -2.926 -6.138 1.00 0.51 C ATOM 852 C MET A 56 -6.973 -2.097 -5.347 1.00 0.52 C ATOM 853 O MET A 56 -6.103 -1.470 -5.944 1.00 0.56 O ATOM 854 CB MET A 56 -9.355 -2.247 -6.155 1.00 0.59 C ATOM 855 CG MET A 56 -10.001 -2.176 -7.540 1.00 1.17 C ATOM 856 SD MET A 56 -9.417 -0.784 -8.540 1.00 2.23 S ATOM 857 CE MET A 56 -10.653 -0.804 -9.856 1.00 2.62 C ATOM 0 H MET A 56 -9.030 -4.495 -5.249 1.00 0.55 H new ATOM 0 HA MET A 56 -7.618 -3.002 -7.163 1.00 0.51 H new ATOM 0 HB2 MET A 56 -10.022 -2.786 -5.482 1.00 0.59 H new ATOM 0 HB3 MET A 56 -9.254 -1.236 -5.761 1.00 0.59 H new ATOM 0 HG2 MET A 56 -9.801 -3.105 -8.073 1.00 1.17 H new ATOM 0 HG3 MET A 56 -11.082 -2.101 -7.424 1.00 1.17 H new ATOM 0 HE1 MET A 56 -10.442 -0.004 -10.566 1.00 2.62 H new ATOM 0 HE2 MET A 56 -10.620 -1.764 -10.371 1.00 2.62 H new ATOM 0 HE3 MET A 56 -11.644 -0.656 -9.427 1.00 2.62 H new ATOM 867 N ILE A 57 -7.079 -2.093 -4.012 1.00 0.59 N ATOM 868 CA ILE A 57 -6.108 -1.374 -3.182 1.00 0.78 C ATOM 869 C ILE A 57 -4.675 -1.780 -3.537 1.00 0.83 C ATOM 870 O ILE A 57 -3.845 -0.924 -3.829 1.00 0.91 O ATOM 871 CB ILE A 57 -6.351 -1.563 -1.671 1.00 1.03 C ATOM 872 CG1 ILE A 57 -6.977 -2.909 -1.302 1.00 1.40 C ATOM 873 CG2 ILE A 57 -7.136 -0.389 -1.080 1.00 2.55 C ATOM 874 CD1 ILE A 57 -6.406 -3.410 0.024 1.00 1.68 C ATOM 0 H ILE A 57 -7.815 -2.571 -3.492 1.00 0.59 H new ATOM 0 HA ILE A 57 -6.248 -0.315 -3.401 1.00 0.78 H new ATOM 0 HB ILE A 57 -5.361 -1.575 -1.214 1.00 1.03 H new ATOM 0 HG12 ILE A 57 -8.059 -2.806 -1.225 1.00 1.40 H new ATOM 0 HG13 ILE A 57 -6.782 -3.637 -2.089 1.00 1.40 H new ATOM 0 HG21 ILE A 57 -7.290 -0.554 -0.014 1.00 2.55 H new ATOM 0 HG22 ILE A 57 -6.576 0.534 -1.227 1.00 2.55 H new ATOM 0 HG23 ILE A 57 -8.102 -0.310 -1.578 1.00 2.55 H new ATOM 0 HD11 ILE A 57 -6.859 -4.369 0.276 1.00 1.68 H new ATOM 0 HD12 ILE A 57 -5.327 -3.532 -0.067 1.00 1.68 H new ATOM 0 HD13 ILE A 57 -6.624 -2.687 0.810 1.00 1.68 H new ATOM 886 N ALA A 58 -4.362 -3.078 -3.500 1.00 0.89 N ATOM 887 CA ALA A 58 -3.030 -3.555 -3.817 1.00 1.16 C ATOM 888 C ALA A 58 -2.598 -3.082 -5.206 1.00 1.09 C ATOM 889 O ALA A 58 -1.530 -2.492 -5.371 1.00 1.14 O ATOM 890 CB ALA A 58 -3.002 -5.079 -3.707 1.00 1.39 C ATOM 0 H ALA A 58 -5.023 -3.814 -3.251 1.00 0.89 H new ATOM 0 HA ALA A 58 -2.317 -3.141 -3.104 1.00 1.16 H new ATOM 0 HB1 ALA A 58 -2.002 -5.443 -3.945 1.00 1.39 H new ATOM 0 HB2 ALA A 58 -3.264 -5.375 -2.691 1.00 1.39 H new ATOM 0 HB3 ALA A 58 -3.720 -5.508 -4.407 1.00 1.39 H new ATOM 896 N GLU A 59 -3.441 -3.322 -6.208 1.00 1.03 N ATOM 897 CA GLU A 59 -3.180 -2.901 -7.570 1.00 1.06 C ATOM 898 C GLU A 59 -2.891 -1.400 -7.656 1.00 0.92 C ATOM 899 O GLU A 59 -1.941 -1.016 -8.331 1.00 0.91 O ATOM 900 CB GLU A 59 -4.357 -3.314 -8.440 1.00 1.10 C ATOM 901 CG GLU A 59 -4.352 -4.844 -8.627 1.00 1.46 C ATOM 902 CD GLU A 59 -5.622 -5.394 -9.266 1.00 1.96 C ATOM 903 OE1 GLU A 59 -6.643 -4.674 -9.259 1.00 2.96 O ATOM 904 OE2 GLU A 59 -5.545 -6.550 -9.735 1.00 2.57 O ATOM 0 H GLU A 59 -4.326 -3.816 -6.091 1.00 1.03 H new ATOM 0 HA GLU A 59 -2.279 -3.393 -7.937 1.00 1.06 H new ATOM 0 HB2 GLU A 59 -5.292 -2.997 -7.978 1.00 1.10 H new ATOM 0 HB3 GLU A 59 -4.297 -2.819 -9.409 1.00 1.10 H new ATOM 0 HG2 GLU A 59 -3.497 -5.122 -9.244 1.00 1.46 H new ATOM 0 HG3 GLU A 59 -4.211 -5.318 -7.656 1.00 1.46 H new ATOM 911 N PHE A 60 -3.636 -0.563 -6.928 1.00 0.85 N ATOM 912 CA PHE A 60 -3.367 0.860 -6.779 1.00 0.76 C ATOM 913 C PHE A 60 -1.891 1.162 -6.502 1.00 0.76 C ATOM 914 O PHE A 60 -1.359 2.160 -6.982 1.00 0.88 O ATOM 915 CB PHE A 60 -4.247 1.444 -5.663 1.00 0.71 C ATOM 916 CG PHE A 60 -4.895 2.752 -6.044 1.00 0.67 C ATOM 917 CD1 PHE A 60 -4.154 3.947 -6.030 1.00 1.82 C ATOM 918 CD2 PHE A 60 -6.243 2.764 -6.436 1.00 2.02 C ATOM 919 CE1 PHE A 60 -4.775 5.157 -6.380 1.00 1.79 C ATOM 920 CE2 PHE A 60 -6.861 3.973 -6.787 1.00 2.15 C ATOM 921 CZ PHE A 60 -6.131 5.174 -6.751 1.00 0.94 C ATOM 0 H PHE A 60 -4.463 -0.870 -6.415 1.00 0.85 H new ATOM 0 HA PHE A 60 -3.611 1.333 -7.730 1.00 0.76 H new ATOM 0 HB2 PHE A 60 -5.022 0.723 -5.405 1.00 0.71 H new ATOM 0 HB3 PHE A 60 -3.640 1.593 -4.770 1.00 0.71 H new ATOM 0 HD1 PHE A 60 -3.111 3.934 -5.751 1.00 1.82 H new ATOM 0 HD2 PHE A 60 -6.804 1.842 -6.467 1.00 2.02 H new ATOM 0 HE1 PHE A 60 -4.209 6.077 -6.364 1.00 1.79 H new ATOM 0 HE2 PHE A 60 -7.899 3.981 -7.085 1.00 2.15 H new ATOM 0 HZ PHE A 60 -6.611 6.107 -7.008 1.00 0.94 H new ATOM 931 N ILE A 61 -1.212 0.320 -5.714 1.00 0.73 N ATOM 932 CA ILE A 61 0.225 0.478 -5.503 1.00 0.69 C ATOM 933 C ILE A 61 0.951 0.059 -6.780 1.00 0.64 C ATOM 934 O ILE A 61 1.867 0.734 -7.255 1.00 0.60 O ATOM 935 CB ILE A 61 0.711 -0.295 -4.254 1.00 0.78 C ATOM 936 CG1 ILE A 61 0.255 0.357 -2.935 1.00 0.99 C ATOM 937 CG2 ILE A 61 2.243 -0.346 -4.220 1.00 0.73 C ATOM 938 CD1 ILE A 61 -1.173 -0.015 -2.544 1.00 1.23 C ATOM 0 H ILE A 61 -1.631 -0.467 -5.219 1.00 0.73 H new ATOM 0 HA ILE A 61 0.455 1.523 -5.298 1.00 0.69 H new ATOM 0 HB ILE A 61 0.275 -1.291 -4.334 1.00 0.78 H new ATOM 0 HG12 ILE A 61 0.933 0.058 -2.136 1.00 0.99 H new ATOM 0 HG13 ILE A 61 0.329 1.441 -3.028 1.00 0.99 H new ATOM 0 HG21 ILE A 61 2.569 -0.893 -3.335 1.00 0.73 H new ATOM 0 HG22 ILE A 61 2.610 -0.850 -5.114 1.00 0.73 H new ATOM 0 HG23 ILE A 61 2.640 0.669 -4.186 1.00 0.73 H new ATOM 0 HD11 ILE A 61 -1.433 0.476 -1.606 1.00 1.23 H new ATOM 0 HD12 ILE A 61 -1.860 0.308 -3.326 1.00 1.23 H new ATOM 0 HD13 ILE A 61 -1.247 -1.095 -2.420 1.00 1.23 H new ATOM 950 N ARG A 62 0.559 -1.087 -7.332 1.00 0.73 N ATOM 951 CA ARG A 62 1.235 -1.655 -8.482 1.00 0.78 C ATOM 952 C ARG A 62 1.094 -0.800 -9.743 1.00 0.70 C ATOM 953 O ARG A 62 1.860 -1.015 -10.678 1.00 0.76 O ATOM 954 CB ARG A 62 0.732 -3.071 -8.793 1.00 0.95 C ATOM 955 CG ARG A 62 0.796 -4.011 -7.589 1.00 1.10 C ATOM 956 CD ARG A 62 0.188 -5.391 -7.872 1.00 1.34 C ATOM 957 NE ARG A 62 1.143 -6.284 -8.547 1.00 1.53 N ATOM 958 CZ ARG A 62 1.304 -6.422 -9.874 1.00 1.87 C ATOM 959 NH1 ARG A 62 0.558 -5.709 -10.727 1.00 2.86 N ATOM 960 NH2 ARG A 62 2.218 -7.278 -10.342 1.00 2.22 N ATOM 0 H ARG A 62 -0.229 -1.639 -6.994 1.00 0.73 H new ATOM 0 HA ARG A 62 2.288 -1.688 -8.204 1.00 0.78 H new ATOM 0 HB2 ARG A 62 -0.297 -3.014 -9.147 1.00 0.95 H new ATOM 0 HB3 ARG A 62 1.326 -3.490 -9.605 1.00 0.95 H new ATOM 0 HG2 ARG A 62 1.836 -4.134 -7.286 1.00 1.10 H new ATOM 0 HG3 ARG A 62 0.271 -3.554 -6.750 1.00 1.10 H new ATOM 0 HD2 ARG A 62 -0.133 -5.845 -6.935 1.00 1.34 H new ATOM 0 HD3 ARG A 62 -0.701 -5.276 -8.492 1.00 1.34 H new ATOM 0 HE ARG A 62 1.741 -6.854 -7.949 1.00 1.53 H new ATOM 0 HH11 ARG A 62 -0.139 -5.055 -10.371 1.00 2.86 H new ATOM 0 HH12 ARG A 62 0.687 -5.820 -11.733 1.00 2.86 H new ATOM 0 HH21 ARG A 62 2.788 -7.821 -9.693 1.00 2.22 H new ATOM 0 HH22 ARG A 62 2.346 -7.388 -11.348 1.00 2.22 H new ATOM 974 N GLU A 63 0.177 0.173 -9.777 1.00 0.67 N ATOM 975 CA GLU A 63 0.140 1.213 -10.805 1.00 0.71 C ATOM 976 C GLU A 63 1.530 1.815 -11.059 1.00 0.68 C ATOM 977 O GLU A 63 1.841 2.234 -12.171 1.00 0.71 O ATOM 978 CB GLU A 63 -0.843 2.320 -10.394 1.00 0.79 C ATOM 979 CG GLU A 63 -2.302 1.848 -10.381 1.00 2.41 C ATOM 980 CD GLU A 63 -2.806 1.539 -11.784 1.00 3.73 C ATOM 981 OE1 GLU A 63 -3.120 2.514 -12.498 1.00 4.49 O ATOM 982 OE2 GLU A 63 -2.841 0.337 -12.127 1.00 4.83 O ATOM 0 H GLU A 63 -0.566 0.259 -9.084 1.00 0.67 H new ATOM 0 HA GLU A 63 -0.195 0.750 -11.733 1.00 0.71 H new ATOM 0 HB2 GLU A 63 -0.576 2.686 -9.403 1.00 0.79 H new ATOM 0 HB3 GLU A 63 -0.744 3.160 -11.081 1.00 0.79 H new ATOM 0 HG2 GLU A 63 -2.391 0.958 -9.758 1.00 2.41 H new ATOM 0 HG3 GLU A 63 -2.929 2.617 -9.930 1.00 2.41 H new ATOM 989 N LEU A 64 2.386 1.841 -10.032 1.00 0.69 N ATOM 990 CA LEU A 64 3.723 2.419 -10.111 1.00 0.77 C ATOM 991 C LEU A 64 4.736 1.441 -10.719 1.00 0.76 C ATOM 992 O LEU A 64 5.894 1.798 -10.919 1.00 0.93 O ATOM 993 CB LEU A 64 4.173 2.773 -8.694 1.00 0.95 C ATOM 994 CG LEU A 64 3.144 3.625 -7.937 1.00 1.01 C ATOM 995 CD1 LEU A 64 3.508 3.618 -6.460 1.00 1.30 C ATOM 996 CD2 LEU A 64 3.092 5.065 -8.456 1.00 1.26 C ATOM 0 H LEU A 64 2.163 1.456 -9.114 1.00 0.69 H new ATOM 0 HA LEU A 64 3.681 3.299 -10.753 1.00 0.77 H new ATOM 0 HB2 LEU A 64 4.358 1.855 -8.137 1.00 0.95 H new ATOM 0 HB3 LEU A 64 5.119 3.312 -8.742 1.00 0.95 H new ATOM 0 HG LEU A 64 2.155 3.195 -8.094 1.00 1.01 H new ATOM 0 HD11 LEU A 64 2.788 4.219 -5.905 1.00 1.30 H new ATOM 0 HD12 LEU A 64 3.491 2.594 -6.086 1.00 1.30 H new ATOM 0 HD13 LEU A 64 4.506 4.036 -6.329 1.00 1.30 H new ATOM 0 HD21 LEU A 64 2.350 5.629 -7.890 1.00 1.26 H new ATOM 0 HD22 LEU A 64 4.070 5.530 -8.336 1.00 1.26 H new ATOM 0 HD23 LEU A 64 2.818 5.062 -9.511 1.00 1.26 H new ATOM 1008 N GLY A 65 4.327 0.194 -10.959 1.00 0.65 N ATOM 1009 CA GLY A 65 5.174 -0.863 -11.488 1.00 0.72 C ATOM 1010 C GLY A 65 6.034 -1.510 -10.400 1.00 0.72 C ATOM 1011 O GLY A 65 6.996 -2.208 -10.712 1.00 0.76 O ATOM 0 H GLY A 65 3.370 -0.111 -10.784 1.00 0.65 H new ATOM 0 HA2 GLY A 65 4.552 -1.624 -11.958 1.00 0.72 H new ATOM 0 HA3 GLY A 65 5.820 -0.455 -12.265 1.00 0.72 H new ATOM 1015 N PHE A 66 5.683 -1.311 -9.125 1.00 0.82 N ATOM 1016 CA PHE A 66 6.395 -1.919 -8.008 1.00 0.89 C ATOM 1017 C PHE A 66 5.878 -3.335 -7.761 1.00 0.79 C ATOM 1018 O PHE A 66 4.697 -3.629 -7.961 1.00 0.78 O ATOM 1019 CB PHE A 66 6.262 -1.058 -6.743 1.00 0.97 C ATOM 1020 CG PHE A 66 7.389 -0.056 -6.570 1.00 1.01 C ATOM 1021 CD1 PHE A 66 7.491 1.050 -7.435 1.00 2.18 C ATOM 1022 CD2 PHE A 66 8.398 -0.286 -5.613 1.00 2.23 C ATOM 1023 CE1 PHE A 66 8.564 1.950 -7.306 1.00 2.40 C ATOM 1024 CE2 PHE A 66 9.487 0.596 -5.509 1.00 2.56 C ATOM 1025 CZ PHE A 66 9.557 1.729 -6.337 1.00 1.90 C ATOM 0 H PHE A 66 4.898 -0.724 -8.844 1.00 0.82 H new ATOM 0 HA PHE A 66 7.453 -1.978 -8.262 1.00 0.89 H new ATOM 0 HB2 PHE A 66 5.313 -0.523 -6.776 1.00 0.97 H new ATOM 0 HB3 PHE A 66 6.230 -1.711 -5.871 1.00 0.97 H new ATOM 0 HD1 PHE A 66 6.744 1.208 -8.199 1.00 2.18 H new ATOM 0 HD2 PHE A 66 8.334 -1.142 -4.958 1.00 2.23 H new ATOM 0 HE1 PHE A 66 8.625 2.813 -7.953 1.00 2.40 H new ATOM 0 HE2 PHE A 66 10.271 0.403 -4.792 1.00 2.56 H new ATOM 0 HZ PHE A 66 10.373 2.429 -6.229 1.00 1.90 H new ATOM 1035 N GLY A 67 6.757 -4.208 -7.262 1.00 0.75 N ATOM 1036 CA GLY A 67 6.426 -5.597 -7.002 1.00 0.71 C ATOM 1037 C GLY A 67 5.710 -5.692 -5.662 1.00 0.62 C ATOM 1038 O GLY A 67 6.275 -6.183 -4.688 1.00 0.63 O ATOM 0 H GLY A 67 7.719 -3.963 -7.029 1.00 0.75 H new ATOM 0 HA2 GLY A 67 5.791 -5.988 -7.797 1.00 0.71 H new ATOM 0 HA3 GLY A 67 7.331 -6.204 -6.989 1.00 0.71 H new ATOM 1042 N ALA A 68 4.464 -5.213 -5.629 1.00 0.58 N ATOM 1043 CA ALA A 68 3.631 -5.272 -4.437 1.00 0.50 C ATOM 1044 C ALA A 68 3.015 -6.668 -4.333 1.00 0.43 C ATOM 1045 O ALA A 68 2.776 -7.319 -5.351 1.00 0.54 O ATOM 1046 CB ALA A 68 2.528 -4.214 -4.492 1.00 0.54 C ATOM 0 H ALA A 68 4.009 -4.775 -6.430 1.00 0.58 H new ATOM 0 HA ALA A 68 4.246 -5.071 -3.560 1.00 0.50 H new ATOM 0 HB1 ALA A 68 1.918 -4.277 -3.591 1.00 0.54 H new ATOM 0 HB2 ALA A 68 2.977 -3.223 -4.558 1.00 0.54 H new ATOM 0 HB3 ALA A 68 1.901 -4.387 -5.367 1.00 0.54 H new ATOM 1052 N THR A 69 2.736 -7.114 -3.108 1.00 0.36 N ATOM 1053 CA THR A 69 2.096 -8.384 -2.818 1.00 0.38 C ATOM 1054 C THR A 69 1.298 -8.161 -1.542 1.00 0.38 C ATOM 1055 O THR A 69 1.843 -7.611 -0.587 1.00 0.52 O ATOM 1056 CB THR A 69 3.114 -9.532 -2.761 1.00 0.49 C ATOM 1057 OG1 THR A 69 2.465 -10.777 -2.596 1.00 1.36 O ATOM 1058 CG2 THR A 69 4.123 -9.335 -1.643 1.00 1.05 C ATOM 0 H THR A 69 2.959 -6.580 -2.268 1.00 0.36 H new ATOM 0 HA THR A 69 1.418 -8.704 -3.609 1.00 0.38 H new ATOM 0 HB THR A 69 3.647 -9.528 -3.712 1.00 0.49 H new ATOM 0 HG1 THR A 69 3.134 -11.493 -2.564 1.00 1.36 H new ATOM 0 HG21 THR A 69 4.826 -10.168 -1.636 1.00 1.05 H new ATOM 0 HG22 THR A 69 4.666 -8.404 -1.803 1.00 1.05 H new ATOM 0 HG23 THR A 69 3.602 -9.292 -0.686 1.00 1.05 H new ATOM 1066 N VAL A 70 0.006 -8.491 -1.560 1.00 0.52 N ATOM 1067 CA VAL A 70 -0.938 -8.185 -0.495 1.00 0.56 C ATOM 1068 C VAL A 70 -1.313 -9.473 0.229 1.00 0.64 C ATOM 1069 O VAL A 70 -1.563 -10.492 -0.414 1.00 0.72 O ATOM 1070 CB VAL A 70 -2.131 -7.410 -1.075 1.00 0.63 C ATOM 1071 CG1 VAL A 70 -2.889 -8.177 -2.172 1.00 0.60 C ATOM 1072 CG2 VAL A 70 -3.127 -7.010 0.024 1.00 0.80 C ATOM 0 H VAL A 70 -0.420 -8.992 -2.339 1.00 0.52 H new ATOM 0 HA VAL A 70 -0.495 -7.532 0.257 1.00 0.56 H new ATOM 0 HB VAL A 70 -1.694 -6.521 -1.530 1.00 0.63 H new ATOM 0 HG11 VAL A 70 -3.718 -7.569 -2.535 1.00 0.60 H new ATOM 0 HG12 VAL A 70 -2.211 -8.396 -2.997 1.00 0.60 H new ATOM 0 HG13 VAL A 70 -3.276 -9.110 -1.763 1.00 0.60 H new ATOM 0 HG21 VAL A 70 -3.959 -6.463 -0.420 1.00 0.80 H new ATOM 0 HG22 VAL A 70 -3.504 -7.906 0.517 1.00 0.80 H new ATOM 0 HG23 VAL A 70 -2.626 -6.376 0.756 1.00 0.80 H new ATOM 1082 N ILE A 71 -1.284 -9.441 1.561 1.00 0.68 N ATOM 1083 CA ILE A 71 -1.475 -10.595 2.426 1.00 0.88 C ATOM 1084 C ILE A 71 -2.268 -10.145 3.663 1.00 1.05 C ATOM 1085 O ILE A 71 -2.841 -9.056 3.639 1.00 0.70 O ATOM 1086 CB ILE A 71 -0.113 -11.233 2.744 1.00 0.97 C ATOM 1087 CG1 ILE A 71 0.791 -10.297 3.557 1.00 1.10 C ATOM 1088 CG2 ILE A 71 0.630 -11.679 1.474 1.00 1.69 C ATOM 1089 CD1 ILE A 71 1.641 -11.144 4.497 1.00 1.42 C ATOM 0 H ILE A 71 -1.121 -8.579 2.081 1.00 0.68 H new ATOM 0 HA ILE A 71 -2.059 -11.377 1.940 1.00 0.88 H new ATOM 0 HB ILE A 71 -0.336 -12.113 3.347 1.00 0.97 H new ATOM 0 HG12 ILE A 71 1.428 -9.713 2.892 1.00 1.10 H new ATOM 0 HG13 ILE A 71 0.189 -9.588 4.125 1.00 1.10 H new ATOM 0 HG21 ILE A 71 1.586 -12.123 1.749 1.00 1.69 H new ATOM 0 HG22 ILE A 71 0.028 -12.414 0.940 1.00 1.69 H new ATOM 0 HG23 ILE A 71 0.803 -10.816 0.831 1.00 1.69 H new ATOM 0 HD11 ILE A 71 2.291 -10.495 5.084 1.00 1.42 H new ATOM 0 HD12 ILE A 71 0.991 -11.708 5.166 1.00 1.42 H new ATOM 0 HD13 ILE A 71 2.249 -11.835 3.914 1.00 1.42 H new ATOM 1101 N GLU A 72 -2.307 -10.965 4.723 1.00 1.97 N ATOM 1102 CA GLU A 72 -2.852 -10.619 6.038 1.00 2.42 C ATOM 1103 C GLU A 72 -4.157 -9.814 5.953 1.00 1.63 C ATOM 1104 O GLU A 72 -4.192 -8.609 6.208 1.00 3.36 O ATOM 1105 CB GLU A 72 -1.761 -9.933 6.875 1.00 4.78 C ATOM 1106 CG GLU A 72 -1.048 -10.913 7.808 1.00 6.32 C ATOM 1107 CD GLU A 72 -1.927 -11.238 9.010 1.00 7.59 C ATOM 1108 OE1 GLU A 72 -2.133 -10.312 9.828 1.00 8.78 O ATOM 1109 OE2 GLU A 72 -2.400 -12.394 9.062 1.00 7.87 O ATOM 0 H GLU A 72 -1.947 -11.919 4.684 1.00 1.97 H new ATOM 0 HA GLU A 72 -3.142 -11.537 6.549 1.00 2.42 H new ATOM 0 HB2 GLU A 72 -1.032 -9.471 6.210 1.00 4.78 H new ATOM 0 HB3 GLU A 72 -2.207 -9.132 7.464 1.00 4.78 H new ATOM 0 HG2 GLU A 72 -0.806 -11.829 7.268 1.00 6.32 H new ATOM 0 HG3 GLU A 72 -0.105 -10.483 8.145 1.00 6.32 H new ATOM 1116 N ASN A 73 -5.231 -10.509 5.579 1.00 1.70 N ATOM 1117 CA ASN A 73 -6.585 -9.979 5.510 1.00 3.46 C ATOM 1118 C ASN A 73 -7.556 -11.136 5.739 1.00 3.53 C ATOM 1119 O ASN A 73 -8.206 -11.599 4.807 1.00 4.64 O ATOM 1120 CB ASN A 73 -6.834 -9.217 4.193 1.00 5.48 C ATOM 1121 CG ASN A 73 -6.506 -9.999 2.919 1.00 6.68 C ATOM 1122 OD1 ASN A 73 -7.385 -10.532 2.250 1.00 8.00 O ATOM 1123 ND2 ASN A 73 -5.236 -10.019 2.523 1.00 6.76 N ATOM 0 H ASN A 73 -5.176 -11.491 5.307 1.00 1.70 H new ATOM 0 HA ASN A 73 -6.743 -9.234 6.290 1.00 3.46 H new ATOM 0 HB2 ASN A 73 -7.881 -8.917 4.157 1.00 5.48 H new ATOM 0 HB3 ASN A 73 -6.241 -8.303 4.203 1.00 5.48 H new ATOM 0 HD21 ASN A 73 -4.981 -10.483 1.651 1.00 6.76 H new ATOM 0 HD22 ASN A 73 -4.517 -9.571 3.091 1.00 6.76 H new ATOM 1130 N ILE A 74 -7.632 -11.618 6.985 1.00 3.00 N ATOM 1131 CA ILE A 74 -8.551 -12.679 7.413 1.00 3.58 C ATOM 1132 C ILE A 74 -9.702 -12.136 8.272 1.00 3.46 C ATOM 1133 O ILE A 74 -10.576 -12.862 8.742 1.00 4.96 O ATOM 1134 CB ILE A 74 -7.752 -13.859 8.032 1.00 4.64 C ATOM 1135 CG1 ILE A 74 -6.628 -14.342 7.083 1.00 6.29 C ATOM 1136 CG2 ILE A 74 -8.651 -15.059 8.379 1.00 5.39 C ATOM 1137 CD1 ILE A 74 -5.573 -15.214 7.779 1.00 7.49 C ATOM 0 H ILE A 74 -7.042 -11.273 7.742 1.00 3.00 H new ATOM 0 HA ILE A 74 -9.061 -13.093 6.543 1.00 3.58 H new ATOM 0 HB ILE A 74 -7.316 -13.470 8.952 1.00 4.64 H new ATOM 0 HG12 ILE A 74 -7.073 -14.907 6.264 1.00 6.29 H new ATOM 0 HG13 ILE A 74 -6.137 -13.474 6.642 1.00 6.29 H new ATOM 0 HG21 ILE A 74 -8.044 -15.856 8.808 1.00 5.39 H new ATOM 0 HG22 ILE A 74 -9.407 -14.750 9.100 1.00 5.39 H new ATOM 0 HG23 ILE A 74 -9.139 -15.422 7.474 1.00 5.39 H new ATOM 0 HD11 ILE A 74 -4.816 -15.517 7.055 1.00 7.49 H new ATOM 0 HD12 ILE A 74 -5.102 -14.645 8.580 1.00 7.49 H new ATOM 0 HD13 ILE A 74 -6.051 -16.100 8.196 1.00 7.49 H new ATOM 1149 N GLU A 75 -9.729 -10.821 8.402 1.00 2.72 N ATOM 1150 CA GLU A 75 -10.636 -10.041 9.215 1.00 2.59 C ATOM 1151 C GLU A 75 -11.774 -9.490 8.360 1.00 3.89 C ATOM 1152 O GLU A 75 -11.543 -8.745 7.405 1.00 5.04 O ATOM 1153 CB GLU A 75 -9.863 -8.897 9.875 1.00 2.95 C ATOM 1154 CG GLU A 75 -8.700 -9.408 10.739 1.00 4.70 C ATOM 1155 CD GLU A 75 -7.364 -9.477 10.011 1.00 6.46 C ATOM 1156 OE1 GLU A 75 -7.354 -9.702 8.781 1.00 6.96 O ATOM 1157 OE2 GLU A 75 -6.354 -9.270 10.714 1.00 7.74 O ATOM 0 H GLU A 75 -9.065 -10.229 7.902 1.00 2.72 H new ATOM 0 HA GLU A 75 -11.068 -10.677 9.987 1.00 2.59 H new ATOM 0 HB2 GLU A 75 -9.476 -8.230 9.105 1.00 2.95 H new ATOM 0 HB3 GLU A 75 -10.542 -8.310 10.493 1.00 2.95 H new ATOM 0 HG2 GLU A 75 -8.594 -8.758 11.607 1.00 4.70 H new ATOM 0 HG3 GLU A 75 -8.949 -10.401 11.113 1.00 4.70 H new ATOM 1164 N GLY A 76 -13.002 -9.838 8.740 1.00 4.82 N ATOM 1165 CA GLY A 76 -14.206 -9.561 7.978 1.00 6.69 C ATOM 1166 C GLY A 76 -14.519 -10.776 7.112 1.00 8.40 C ATOM 1167 O GLY A 76 -14.286 -10.754 5.906 1.00 9.68 O ATOM 0 H GLY A 76 -13.186 -10.334 9.612 1.00 4.82 H new ATOM 0 HA2 GLY A 76 -15.039 -9.349 8.649 1.00 6.69 H new ATOM 0 HA3 GLY A 76 -14.066 -8.678 7.355 1.00 6.69 H new ATOM 1171 N ARG A 77 -15.002 -11.841 7.757 1.00 8.74 N ATOM 1172 CA ARG A 77 -15.357 -13.092 7.105 1.00 10.47 C ATOM 1173 C ARG A 77 -16.857 -13.125 6.800 1.00 11.75 C ATOM 1174 O ARG A 77 -17.285 -14.133 6.191 1.00 12.70 O ATOM 1175 CB ARG A 77 -14.973 -14.264 8.018 1.00 10.74 C ATOM 1176 CG ARG A 77 -14.607 -15.483 7.170 1.00 12.05 C ATOM 1177 CD ARG A 77 -14.764 -16.778 7.973 1.00 12.47 C ATOM 1178 NE ARG A 77 -14.306 -17.944 7.202 1.00 13.86 N ATOM 1179 CZ ARG A 77 -14.934 -18.463 6.134 1.00 15.21 C ATOM 1180 NH1 ARG A 77 -16.096 -17.945 5.717 1.00 15.43 N ATOM 1181 NH2 ARG A 77 -14.388 -19.500 5.486 1.00 16.54 N ATOM 1182 OXT ARG A 77 -17.553 -12.176 7.225 1.00 12.06 O ATOM 0 H ARG A 77 -15.158 -11.852 8.765 1.00 8.74 H new ATOM 0 HA ARG A 77 -14.815 -13.175 6.163 1.00 10.47 H new ATOM 0 HB2 ARG A 77 -14.131 -13.983 8.650 1.00 10.74 H new ATOM 0 HB3 ARG A 77 -15.803 -14.507 8.682 1.00 10.74 H new ATOM 0 HG2 ARG A 77 -15.244 -15.520 6.286 1.00 12.05 H new ATOM 0 HG3 ARG A 77 -13.579 -15.391 6.819 1.00 12.05 H new ATOM 0 HD2 ARG A 77 -14.194 -16.705 8.899 1.00 12.47 H new ATOM 0 HD3 ARG A 77 -15.809 -16.911 8.251 1.00 12.47 H new ATOM 0 HE ARG A 77 -13.442 -18.395 7.503 1.00 13.86 H new ATOM 0 HH11 ARG A 77 -16.508 -17.153 6.211 1.00 15.43 H new ATOM 0 HH12 ARG A 77 -16.569 -18.342 4.906 1.00 15.43 H new ATOM 0 HH21 ARG A 77 -13.501 -19.890 5.804 1.00 16.54 H new ATOM 0 HH22 ARG A 77 -14.859 -19.899 4.674 1.00 16.54 H new TER 1196 ARG A 77