USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 680 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 25 LYS NZ :NH3+ 151:sc= 1.09 (180deg=0) USER MOD Set 1.2: A 30 ASN : amide:sc= 0.927 K(o=2,f=-2.5) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -17:sc= 0.236 USER MOD Single : A 20 ASN : amide:sc= -0.857 K(o=-0.86,f=0) USER MOD Single : A 22 MET CE :methyl -159:sc= -0.0347 (180deg=-1.25) USER MOD Single : A 31 SER OG : rot 90:sc= 0.0493 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -58:sc= 0.71 USER MOD Single : A 49 SER OG : rot -32:sc= 0.115 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0144) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N ARG A 2 -12.466 4.664 -0.189 1.00 75.33 N ATOM 21 CA ARG A 2 -11.607 3.489 -0.371 1.00 63.12 C ATOM 22 C ARG A 2 -10.896 3.644 -1.725 1.00 3.23 C ATOM 23 O ARG A 2 -11.550 3.726 -2.772 1.00 30.53 O ATOM 24 CB ARG A 2 -12.450 2.182 -0.344 1.00 73.12 C ATOM 25 CG ARG A 2 -13.129 1.867 1.007 1.00 23.20 C ATOM 26 CD ARG A 2 -14.089 0.662 0.931 1.00 43.11 C ATOM 27 NE ARG A 2 -13.421 -0.596 0.556 1.00 52.53 N ATOM 28 CZ ARG A 2 -14.041 -1.782 0.388 1.00 31.20 C ATOM 29 NH1 ARG A 2 -15.359 -1.903 0.555 1.00 1.13 N ATOM 30 NH2 ARG A 2 -13.336 -2.845 0.030 1.00 73.13 N ATOM 0 HA ARG A 2 -10.880 3.422 0.438 1.00 63.12 H new ATOM 0 HB2 ARG A 2 -13.220 2.249 -1.113 1.00 73.12 H new ATOM 0 HB3 ARG A 2 -11.804 1.346 -0.612 1.00 73.12 H new ATOM 0 HG2 ARG A 2 -12.362 1.667 1.755 1.00 23.20 H new ATOM 0 HG3 ARG A 2 -13.681 2.744 1.343 1.00 23.20 H new ATOM 0 HD2 ARG A 2 -14.575 0.532 1.898 1.00 43.11 H new ATOM 0 HD3 ARG A 2 -14.874 0.878 0.206 1.00 43.11 H new ATOM 0 HE ARG A 2 -12.412 -0.568 0.412 1.00 52.53 H new ATOM 0 HH11 ARG A 2 -15.917 -1.090 0.814 1.00 1.13 H new ATOM 0 HH12 ARG A 2 -15.809 -2.809 0.423 1.00 1.13 H new ATOM 0 HH21 ARG A 2 -12.330 -2.764 -0.117 1.00 73.13 H new ATOM 0 HH22 ARG A 2 -13.799 -3.745 -0.099 1.00 73.13 H new ATOM 44 N ILE A 3 -9.565 3.701 -1.677 1.00 24.25 N ATOM 45 CA ILE A 3 -8.698 3.883 -2.851 1.00 22.35 C ATOM 46 C ILE A 3 -8.159 2.504 -3.296 1.00 43.54 C ATOM 47 O ILE A 3 -8.137 1.566 -2.506 1.00 61.12 O ATOM 48 CB ILE A 3 -7.509 4.870 -2.493 1.00 13.24 C ATOM 49 CG1 ILE A 3 -8.075 6.225 -1.944 1.00 65.15 C ATOM 50 CG2 ILE A 3 -6.561 5.108 -3.695 1.00 23.23 C ATOM 51 CD1 ILE A 3 -7.028 7.274 -1.609 1.00 1.32 C ATOM 0 H ILE A 3 -9.044 3.621 -0.804 1.00 24.25 H new ATOM 0 HA ILE A 3 -9.265 4.322 -3.672 1.00 22.35 H new ATOM 0 HB ILE A 3 -6.912 4.396 -1.713 1.00 13.24 H new ATOM 0 HG12 ILE A 3 -8.759 6.641 -2.683 1.00 65.15 H new ATOM 0 HG13 ILE A 3 -8.660 6.020 -1.048 1.00 65.15 H new ATOM 0 HG21 ILE A 3 -5.764 5.790 -3.400 1.00 23.23 H new ATOM 0 HG22 ILE A 3 -6.128 4.159 -4.011 1.00 23.23 H new ATOM 0 HG23 ILE A 3 -7.123 5.543 -4.521 1.00 23.23 H new ATOM 0 HD11 ILE A 3 -7.520 8.173 -1.238 1.00 1.32 H new ATOM 0 HD12 ILE A 3 -6.356 6.886 -0.844 1.00 1.32 H new ATOM 0 HD13 ILE A 3 -6.456 7.517 -2.505 1.00 1.32 H new ATOM 63 N LYS A 4 -7.788 2.379 -4.574 1.00 61.44 N ATOM 64 CA LYS A 4 -7.120 1.180 -5.116 1.00 65.55 C ATOM 65 C LYS A 4 -5.696 1.558 -5.549 1.00 73.24 C ATOM 66 O LYS A 4 -5.472 2.655 -6.069 1.00 63.43 O ATOM 67 CB LYS A 4 -7.953 0.586 -6.288 1.00 41.33 C ATOM 68 CG LYS A 4 -8.223 1.557 -7.461 1.00 75.03 C ATOM 69 CD LYS A 4 -9.269 1.021 -8.467 1.00 60.24 C ATOM 70 CE LYS A 4 -8.869 -0.308 -9.123 1.00 1.24 C ATOM 71 NZ LYS A 4 -9.936 -0.821 -10.023 1.00 21.34 N ATOM 0 H LYS A 4 -7.941 3.109 -5.270 1.00 61.44 H new ATOM 0 HA LYS A 4 -7.050 0.406 -4.352 1.00 65.55 H new ATOM 0 HB2 LYS A 4 -7.433 -0.290 -6.675 1.00 41.33 H new ATOM 0 HB3 LYS A 4 -8.909 0.241 -5.895 1.00 41.33 H new ATOM 0 HG2 LYS A 4 -8.567 2.511 -7.062 1.00 75.03 H new ATOM 0 HG3 LYS A 4 -7.288 1.750 -7.987 1.00 75.03 H new ATOM 0 HD2 LYS A 4 -10.221 0.890 -7.953 1.00 60.24 H new ATOM 0 HD3 LYS A 4 -9.427 1.767 -9.246 1.00 60.24 H new ATOM 0 HE2 LYS A 4 -7.949 -0.171 -9.691 1.00 1.24 H new ATOM 0 HE3 LYS A 4 -8.659 -1.047 -8.350 1.00 1.24 H new ATOM 0 HZ1 LYS A 4 -9.630 -1.720 -10.448 1.00 21.34 H new ATOM 0 HZ2 LYS A 4 -10.807 -0.976 -9.476 1.00 21.34 H new ATOM 0 HZ3 LYS A 4 -10.119 -0.127 -10.776 1.00 21.34 H new ATOM 85 N GLY A 5 -4.739 0.654 -5.296 1.00 0.21 N ATOM 86 CA GLY A 5 -3.329 0.891 -5.604 1.00 23.31 C ATOM 87 C GLY A 5 -2.668 -0.342 -6.171 1.00 4.05 C ATOM 88 O GLY A 5 -3.216 -1.423 -6.071 1.00 14.34 O ATOM 0 H GLY A 5 -4.923 -0.256 -4.874 1.00 0.21 H new ATOM 0 HA2 GLY A 5 -3.245 1.710 -6.318 1.00 23.31 H new ATOM 0 HA3 GLY A 5 -2.806 1.201 -4.700 1.00 23.31 H new ATOM 92 N VAL A 6 -1.493 -0.179 -6.780 1.00 75.23 N ATOM 93 CA VAL A 6 -0.728 -1.287 -7.370 1.00 20.03 C ATOM 94 C VAL A 6 0.384 -1.729 -6.404 1.00 61.30 C ATOM 95 O VAL A 6 1.118 -0.886 -5.870 1.00 53.15 O ATOM 96 CB VAL A 6 -0.127 -0.866 -8.765 1.00 4.34 C ATOM 97 CG1 VAL A 6 0.741 -1.991 -9.386 1.00 23.32 C ATOM 98 CG2 VAL A 6 -1.266 -0.439 -9.723 1.00 35.32 C ATOM 0 H VAL A 6 -1.040 0.729 -6.880 1.00 75.23 H new ATOM 0 HA VAL A 6 -1.399 -2.130 -7.536 1.00 20.03 H new ATOM 0 HB VAL A 6 0.535 -0.015 -8.606 1.00 4.34 H new ATOM 0 HG11 VAL A 6 1.135 -1.658 -10.346 1.00 23.32 H new ATOM 0 HG12 VAL A 6 1.568 -2.224 -8.716 1.00 23.32 H new ATOM 0 HG13 VAL A 6 0.131 -2.882 -9.533 1.00 23.32 H new ATOM 0 HG21 VAL A 6 -0.843 -0.149 -10.685 1.00 35.32 H new ATOM 0 HG22 VAL A 6 -1.954 -1.273 -9.865 1.00 35.32 H new ATOM 0 HG23 VAL A 6 -1.804 0.406 -9.294 1.00 35.32 H new ATOM 108 N VAL A 7 0.471 -3.057 -6.178 1.00 14.45 N ATOM 109 CA VAL A 7 1.536 -3.688 -5.387 1.00 41.44 C ATOM 110 C VAL A 7 2.867 -3.526 -6.150 1.00 2.44 C ATOM 111 O VAL A 7 3.165 -4.323 -7.049 1.00 62.11 O ATOM 112 CB VAL A 7 1.248 -5.234 -5.151 1.00 72.10 C ATOM 113 CG1 VAL A 7 2.293 -5.869 -4.204 1.00 50.22 C ATOM 114 CG2 VAL A 7 -0.193 -5.489 -4.647 1.00 21.42 C ATOM 0 H VAL A 7 -0.207 -3.724 -6.546 1.00 14.45 H new ATOM 0 HA VAL A 7 1.584 -3.205 -4.411 1.00 41.44 H new ATOM 0 HB VAL A 7 1.339 -5.722 -6.121 1.00 72.10 H new ATOM 0 HG11 VAL A 7 2.064 -6.926 -4.066 1.00 50.22 H new ATOM 0 HG12 VAL A 7 3.287 -5.767 -4.639 1.00 50.22 H new ATOM 0 HG13 VAL A 7 2.265 -5.363 -3.239 1.00 50.22 H new ATOM 0 HG21 VAL A 7 -0.343 -6.559 -4.500 1.00 21.42 H new ATOM 0 HG22 VAL A 7 -0.345 -4.968 -3.702 1.00 21.42 H new ATOM 0 HG23 VAL A 7 -0.907 -5.120 -5.384 1.00 21.42 H new ATOM 124 N LEU A 8 3.623 -2.457 -5.835 1.00 55.30 N ATOM 125 CA LEU A 8 4.878 -2.144 -6.541 1.00 30.30 C ATOM 126 C LEU A 8 5.946 -3.204 -6.218 1.00 13.22 C ATOM 127 O LEU A 8 6.429 -3.910 -7.115 1.00 42.12 O ATOM 128 CB LEU A 8 5.395 -0.722 -6.185 1.00 72.32 C ATOM 129 CG LEU A 8 4.444 0.470 -6.510 1.00 73.32 C ATOM 130 CD1 LEU A 8 5.113 1.815 -6.150 1.00 53.12 C ATOM 131 CD2 LEU A 8 3.964 0.440 -7.981 1.00 71.44 C ATOM 0 H LEU A 8 3.385 -1.796 -5.096 1.00 55.30 H new ATOM 0 HA LEU A 8 4.674 -2.160 -7.612 1.00 30.30 H new ATOM 0 HB2 LEU A 8 5.618 -0.698 -5.118 1.00 72.32 H new ATOM 0 HB3 LEU A 8 6.336 -0.560 -6.711 1.00 72.32 H new ATOM 0 HG LEU A 8 3.553 0.364 -5.891 1.00 73.32 H new ATOM 0 HD11 LEU A 8 4.433 2.634 -6.384 1.00 53.12 H new ATOM 0 HD12 LEU A 8 5.347 1.831 -5.086 1.00 53.12 H new ATOM 0 HD13 LEU A 8 6.031 1.930 -6.726 1.00 53.12 H new ATOM 0 HD21 LEU A 8 3.304 1.287 -8.166 1.00 71.44 H new ATOM 0 HD22 LEU A 8 4.825 0.500 -8.646 1.00 71.44 H new ATOM 0 HD23 LEU A 8 3.424 -0.488 -8.169 1.00 71.44 H new ATOM 143 N SER A 9 6.268 -3.340 -4.926 1.00 53.23 N ATOM 144 CA SER A 9 7.353 -4.215 -4.467 1.00 34.33 C ATOM 145 C SER A 9 7.108 -4.672 -3.017 1.00 72.40 C ATOM 146 O SER A 9 6.366 -4.025 -2.271 1.00 61.45 O ATOM 147 CB SER A 9 8.709 -3.476 -4.590 1.00 55.34 C ATOM 148 OG SER A 9 9.802 -4.346 -4.354 1.00 11.14 O ATOM 0 H SER A 9 5.786 -2.849 -4.173 1.00 53.23 H new ATOM 0 HA SER A 9 7.380 -5.105 -5.096 1.00 34.33 H new ATOM 0 HB2 SER A 9 8.798 -3.041 -5.586 1.00 55.34 H new ATOM 0 HB3 SER A 9 8.740 -2.651 -3.878 1.00 55.34 H new ATOM 0 HG SER A 9 10.641 -3.848 -4.441 1.00 11.14 H new ATOM 154 N TYR A 10 7.699 -5.822 -2.647 1.00 73.44 N ATOM 155 CA TYR A 10 7.785 -6.267 -1.248 1.00 30.31 C ATOM 156 C TYR A 10 9.150 -5.839 -0.684 1.00 23.41 C ATOM 157 O TYR A 10 10.178 -5.931 -1.373 1.00 11.22 O ATOM 158 CB TYR A 10 7.635 -7.810 -1.114 1.00 70.15 C ATOM 159 CG TYR A 10 6.308 -8.392 -1.633 1.00 61.42 C ATOM 160 CD1 TYR A 10 5.074 -7.935 -1.154 1.00 51.44 C ATOM 161 CD2 TYR A 10 6.289 -9.408 -2.599 1.00 54.33 C ATOM 162 CE1 TYR A 10 3.881 -8.468 -1.619 1.00 71.31 C ATOM 163 CE2 TYR A 10 5.100 -9.938 -3.061 1.00 2.02 C ATOM 164 CZ TYR A 10 3.901 -9.466 -2.572 1.00 20.24 C ATOM 165 OH TYR A 10 2.717 -10.001 -3.039 1.00 4.23 O ATOM 0 H TYR A 10 8.129 -6.467 -3.310 1.00 73.44 H new ATOM 0 HA TYR A 10 6.967 -5.809 -0.692 1.00 30.31 H new ATOM 0 HB2 TYR A 10 8.456 -8.286 -1.651 1.00 70.15 H new ATOM 0 HB3 TYR A 10 7.744 -8.079 -0.063 1.00 70.15 H new ATOM 0 HD1 TYR A 10 5.051 -7.153 -0.409 1.00 51.44 H new ATOM 0 HD2 TYR A 10 7.223 -9.784 -2.990 1.00 54.33 H new ATOM 0 HE1 TYR A 10 2.939 -8.103 -1.236 1.00 71.31 H new ATOM 0 HE2 TYR A 10 5.110 -10.721 -3.804 1.00 2.02 H new ATOM 0 HH TYR A 10 1.990 -9.775 -2.422 1.00 4.23 H new ATOM 175 N ARG A 11 9.144 -5.364 0.559 1.00 21.44 N ATOM 176 CA ARG A 11 10.362 -5.039 1.311 1.00 61.53 C ATOM 177 C ARG A 11 10.278 -5.707 2.691 1.00 64.23 C ATOM 178 O ARG A 11 9.514 -5.275 3.549 1.00 34.25 O ATOM 179 CB ARG A 11 10.505 -3.495 1.449 1.00 21.04 C ATOM 180 CG ARG A 11 11.702 -3.031 2.320 1.00 22.23 C ATOM 181 CD ARG A 11 11.751 -1.504 2.518 1.00 1.21 C ATOM 182 NE ARG A 11 12.871 -1.104 3.393 1.00 62.04 N ATOM 183 CZ ARG A 11 13.714 -0.084 3.168 1.00 41.43 C ATOM 184 NH1 ARG A 11 13.594 0.684 2.085 1.00 71.23 N ATOM 185 NH2 ARG A 11 14.683 0.170 4.040 1.00 45.50 N ATOM 0 H ARG A 11 8.286 -5.191 1.082 1.00 21.44 H new ATOM 0 HA ARG A 11 11.241 -5.411 0.784 1.00 61.53 H new ATOM 0 HB2 ARG A 11 10.608 -3.063 0.454 1.00 21.04 H new ATOM 0 HB3 ARG A 11 9.585 -3.095 1.876 1.00 21.04 H new ATOM 0 HG2 ARG A 11 11.644 -3.516 3.295 1.00 22.23 H new ATOM 0 HG3 ARG A 11 12.631 -3.361 1.855 1.00 22.23 H new ATOM 0 HD2 ARG A 11 11.853 -1.014 1.550 1.00 1.21 H new ATOM 0 HD3 ARG A 11 10.811 -1.162 2.951 1.00 1.21 H new ATOM 0 HE ARG A 11 13.017 -1.650 4.242 1.00 62.04 H new ATOM 0 HH11 ARG A 11 12.852 0.501 1.410 1.00 71.23 H new ATOM 0 HH12 ARG A 11 14.244 1.455 1.932 1.00 71.23 H new ATOM 0 HH21 ARG A 11 14.783 -0.408 4.874 1.00 45.50 H new ATOM 0 HH22 ARG A 11 15.327 0.943 3.875 1.00 45.50 H new ATOM 334 N ASN A 20 6.336 -6.757 7.799 1.00 63.03 N ATOM 335 CA ASN A 20 7.198 -6.371 6.680 1.00 52.14 C ATOM 336 C ASN A 20 6.593 -5.156 5.982 1.00 14.15 C ATOM 337 O ASN A 20 5.390 -4.899 6.083 1.00 23.32 O ATOM 338 CB ASN A 20 7.383 -7.537 5.667 1.00 23.30 C ATOM 339 CG ASN A 20 7.974 -8.807 6.302 1.00 51.02 C ATOM 340 OD1 ASN A 20 9.188 -8.921 6.486 1.00 31.15 O ATOM 341 ND2 ASN A 20 7.136 -9.780 6.606 1.00 3.43 N ATOM 0 HA ASN A 20 8.184 -6.124 7.072 1.00 52.14 H new ATOM 0 HB2 ASN A 20 6.418 -7.778 5.221 1.00 23.30 H new ATOM 0 HB3 ASN A 20 8.035 -7.206 4.858 1.00 23.30 H new ATOM 0 HD21 ASN A 20 7.488 -10.651 7.003 1.00 3.43 H new ATOM 0 HD22 ASN A 20 6.136 -9.661 6.444 1.00 3.43 H new ATOM 348 N VAL A 21 7.437 -4.447 5.242 1.00 5.52 N ATOM 349 CA VAL A 21 7.054 -3.258 4.479 1.00 31.44 C ATOM 350 C VAL A 21 6.574 -3.712 3.083 1.00 23.23 C ATOM 351 O VAL A 21 7.061 -4.706 2.540 1.00 21.10 O ATOM 352 CB VAL A 21 8.285 -2.277 4.342 1.00 50.20 C ATOM 353 CG1 VAL A 21 7.922 -1.007 3.543 1.00 72.31 C ATOM 354 CG2 VAL A 21 8.886 -1.926 5.729 1.00 33.33 C ATOM 0 H VAL A 21 8.425 -4.684 5.152 1.00 5.52 H new ATOM 0 HA VAL A 21 6.254 -2.726 4.993 1.00 31.44 H new ATOM 0 HB VAL A 21 9.054 -2.802 3.775 1.00 50.20 H new ATOM 0 HG11 VAL A 21 8.796 -0.360 3.472 1.00 72.31 H new ATOM 0 HG12 VAL A 21 7.596 -1.288 2.541 1.00 72.31 H new ATOM 0 HG13 VAL A 21 7.117 -0.476 4.051 1.00 72.31 H new ATOM 0 HG21 VAL A 21 9.731 -1.250 5.599 1.00 33.33 H new ATOM 0 HG22 VAL A 21 8.126 -1.443 6.343 1.00 33.33 H new ATOM 0 HG23 VAL A 21 9.224 -2.838 6.220 1.00 33.33 H new ATOM 364 N MET A 22 5.598 -3.005 2.528 1.00 3.34 N ATOM 365 CA MET A 22 5.031 -3.315 1.211 1.00 34.45 C ATOM 366 C MET A 22 4.877 -1.992 0.453 1.00 62.21 C ATOM 367 O MET A 22 4.084 -1.122 0.845 1.00 1.14 O ATOM 368 CB MET A 22 3.686 -4.058 1.414 1.00 51.42 C ATOM 369 CG MET A 22 2.969 -4.561 0.154 1.00 0.23 C ATOM 370 SD MET A 22 1.548 -5.591 0.604 1.00 31.10 S ATOM 371 CE MET A 22 0.703 -5.816 -0.951 1.00 34.21 C ATOM 0 H MET A 22 5.171 -2.195 2.977 1.00 3.34 H new ATOM 0 HA MET A 22 5.672 -3.971 0.622 1.00 34.45 H new ATOM 0 HB2 MET A 22 3.867 -4.914 2.065 1.00 51.42 H new ATOM 0 HB3 MET A 22 3.008 -3.391 1.946 1.00 51.42 H new ATOM 0 HG2 MET A 22 2.637 -3.714 -0.446 1.00 0.23 H new ATOM 0 HG3 MET A 22 3.662 -5.135 -0.462 1.00 0.23 H new ATOM 0 HE1 MET A 22 -0.335 -6.091 -0.765 1.00 34.21 H new ATOM 0 HE2 MET A 22 0.736 -4.887 -1.521 1.00 34.21 H new ATOM 0 HE3 MET A 22 1.191 -6.608 -1.519 1.00 34.21 H new ATOM 381 N ILE A 23 5.695 -1.843 -0.596 1.00 63.31 N ATOM 382 CA ILE A 23 5.740 -0.641 -1.428 1.00 33.15 C ATOM 383 C ILE A 23 4.550 -0.678 -2.397 1.00 5.21 C ATOM 384 O ILE A 23 4.408 -1.620 -3.181 1.00 34.43 O ATOM 385 CB ILE A 23 7.104 -0.543 -2.221 1.00 43.15 C ATOM 386 CG1 ILE A 23 8.331 -0.762 -1.267 1.00 52.35 C ATOM 387 CG2 ILE A 23 7.216 0.808 -2.976 1.00 11.03 C ATOM 388 CD1 ILE A 23 8.437 0.209 -0.096 1.00 53.43 C ATOM 0 H ILE A 23 6.352 -2.565 -0.892 1.00 63.31 H new ATOM 0 HA ILE A 23 5.676 0.242 -0.793 1.00 33.15 H new ATOM 0 HB ILE A 23 7.115 -1.341 -2.964 1.00 43.15 H new ATOM 0 HG12 ILE A 23 8.284 -1.777 -0.871 1.00 52.35 H new ATOM 0 HG13 ILE A 23 9.245 -0.692 -1.858 1.00 52.35 H new ATOM 0 HG21 ILE A 23 8.164 0.848 -3.512 1.00 11.03 H new ATOM 0 HG22 ILE A 23 6.394 0.898 -3.686 1.00 11.03 H new ATOM 0 HG23 ILE A 23 7.169 1.629 -2.261 1.00 11.03 H new ATOM 0 HD11 ILE A 23 9.319 -0.032 0.498 1.00 53.43 H new ATOM 0 HD12 ILE A 23 8.522 1.228 -0.475 1.00 53.43 H new ATOM 0 HD13 ILE A 23 7.546 0.126 0.527 1.00 53.43 H new ATOM 400 N ILE A 24 3.685 0.326 -2.286 1.00 42.23 N ATOM 401 CA ILE A 24 2.438 0.443 -3.063 1.00 54.23 C ATOM 402 C ILE A 24 2.377 1.861 -3.658 1.00 73.40 C ATOM 403 O ILE A 24 3.001 2.767 -3.120 1.00 55.03 O ATOM 404 CB ILE A 24 1.184 0.192 -2.123 1.00 14.52 C ATOM 405 CG1 ILE A 24 1.254 -1.230 -1.467 1.00 54.44 C ATOM 406 CG2 ILE A 24 -0.165 0.398 -2.865 1.00 13.04 C ATOM 407 CD1 ILE A 24 0.225 -1.489 -0.379 1.00 31.21 C ATOM 0 H ILE A 24 3.828 1.103 -1.641 1.00 42.23 H new ATOM 0 HA ILE A 24 2.420 -0.301 -3.860 1.00 54.23 H new ATOM 0 HB ILE A 24 1.225 0.941 -1.332 1.00 14.52 H new ATOM 0 HG12 ILE A 24 1.131 -1.980 -2.248 1.00 54.44 H new ATOM 0 HG13 ILE A 24 2.249 -1.370 -1.045 1.00 54.44 H new ATOM 0 HG21 ILE A 24 -0.990 0.214 -2.177 1.00 13.04 H new ATOM 0 HG22 ILE A 24 -0.223 1.421 -3.236 1.00 13.04 H new ATOM 0 HG23 ILE A 24 -0.229 -0.296 -3.703 1.00 13.04 H new ATOM 0 HD11 ILE A 24 0.355 -2.498 0.012 1.00 31.21 H new ATOM 0 HD12 ILE A 24 0.358 -0.768 0.427 1.00 31.21 H new ATOM 0 HD13 ILE A 24 -0.777 -1.387 -0.795 1.00 31.21 H new ATOM 419 N LYS A 25 1.682 2.039 -4.791 1.00 2.44 N ATOM 420 CA LYS A 25 1.282 3.374 -5.270 1.00 5.13 C ATOM 421 C LYS A 25 -0.232 3.374 -5.539 1.00 13.10 C ATOM 422 O LYS A 25 -0.695 2.577 -6.350 1.00 44.32 O ATOM 423 CB LYS A 25 2.029 3.822 -6.559 1.00 21.21 C ATOM 424 CG LYS A 25 1.609 5.240 -7.014 1.00 73.40 C ATOM 425 CD LYS A 25 2.244 5.706 -8.335 1.00 63.33 C ATOM 426 CE LYS A 25 1.700 7.079 -8.756 1.00 1.22 C ATOM 427 NZ LYS A 25 2.282 7.543 -10.035 1.00 35.24 N ATOM 0 H LYS A 25 1.384 1.274 -5.396 1.00 2.44 H new ATOM 0 HA LYS A 25 1.550 4.085 -4.489 1.00 5.13 H new ATOM 0 HB2 LYS A 25 3.104 3.803 -6.379 1.00 21.21 H new ATOM 0 HB3 LYS A 25 1.827 3.111 -7.360 1.00 21.21 H new ATOM 0 HG2 LYS A 25 0.524 5.267 -7.119 1.00 73.40 H new ATOM 0 HG3 LYS A 25 1.871 5.951 -6.230 1.00 73.40 H new ATOM 0 HD2 LYS A 25 3.327 5.759 -8.223 1.00 63.33 H new ATOM 0 HD3 LYS A 25 2.040 4.975 -9.118 1.00 63.33 H new ATOM 0 HE2 LYS A 25 0.616 7.025 -8.851 1.00 1.22 H new ATOM 0 HE3 LYS A 25 1.915 7.808 -7.975 1.00 1.22 H new ATOM 0 HZ1 LYS A 25 1.600 8.158 -10.524 1.00 35.24 H new ATOM 0 HZ2 LYS A 25 3.155 8.076 -9.846 1.00 35.24 H new ATOM 0 HZ3 LYS A 25 2.500 6.722 -10.635 1.00 35.24 H new ATOM 441 N PRO A 26 -1.022 4.272 -4.876 1.00 1.01 N ATOM 442 CA PRO A 26 -2.458 4.442 -5.170 1.00 1.21 C ATOM 443 C PRO A 26 -2.660 5.101 -6.554 1.00 70.25 C ATOM 444 O PRO A 26 -1.911 6.000 -6.925 1.00 34.14 O ATOM 445 CB PRO A 26 -2.977 5.342 -4.008 1.00 44.22 C ATOM 446 CG PRO A 26 -1.836 5.456 -3.032 1.00 31.43 C ATOM 447 CD PRO A 26 -0.581 5.214 -3.822 1.00 61.55 C ATOM 0 HA PRO A 26 -3.000 3.498 -5.223 1.00 1.21 H new ATOM 0 HB2 PRO A 26 -3.274 6.323 -4.377 1.00 44.22 H new ATOM 0 HB3 PRO A 26 -3.854 4.901 -3.534 1.00 44.22 H new ATOM 0 HG2 PRO A 26 -1.819 6.442 -2.567 1.00 31.43 H new ATOM 0 HG3 PRO A 26 -1.937 4.726 -2.229 1.00 31.43 H new ATOM 0 HD2 PRO A 26 -0.188 6.138 -4.246 1.00 61.55 H new ATOM 0 HD3 PRO A 26 0.208 4.786 -3.204 1.00 61.55 H new ATOM 455 N LEU A 27 -3.663 4.633 -7.305 1.00 11.53 N ATOM 456 CA LEU A 27 -3.987 5.159 -8.655 1.00 73.02 C ATOM 457 C LEU A 27 -4.571 6.584 -8.575 1.00 33.25 C ATOM 458 O LEU A 27 -4.414 7.393 -9.499 1.00 64.14 O ATOM 459 CB LEU A 27 -4.991 4.203 -9.350 1.00 42.43 C ATOM 460 CG LEU A 27 -4.494 2.739 -9.565 1.00 44.12 C ATOM 461 CD1 LEU A 27 -5.586 1.874 -10.213 1.00 44.20 C ATOM 462 CD2 LEU A 27 -3.181 2.700 -10.384 1.00 73.54 C ATOM 0 H LEU A 27 -4.279 3.878 -7.003 1.00 11.53 H new ATOM 0 HA LEU A 27 -3.068 5.212 -9.239 1.00 73.02 H new ATOM 0 HB2 LEU A 27 -5.906 4.173 -8.758 1.00 42.43 H new ATOM 0 HB3 LEU A 27 -5.253 4.624 -10.320 1.00 42.43 H new ATOM 0 HG LEU A 27 -4.276 2.317 -8.584 1.00 44.12 H new ATOM 0 HD11 LEU A 27 -5.212 0.859 -10.351 1.00 44.20 H new ATOM 0 HD12 LEU A 27 -6.464 1.853 -9.567 1.00 44.20 H new ATOM 0 HD13 LEU A 27 -5.857 2.295 -11.181 1.00 44.20 H new ATOM 0 HD21 LEU A 27 -2.864 1.665 -10.514 1.00 73.54 H new ATOM 0 HD22 LEU A 27 -3.348 3.154 -11.361 1.00 73.54 H new ATOM 0 HD23 LEU A 27 -2.405 3.253 -9.854 1.00 73.54 H new ATOM 474 N ASP A 28 -5.251 6.856 -7.450 1.00 4.02 N ATOM 475 CA ASP A 28 -5.836 8.175 -7.135 1.00 61.23 C ATOM 476 C ASP A 28 -4.742 9.199 -6.760 1.00 64.44 C ATOM 477 O ASP A 28 -4.938 10.408 -6.892 1.00 53.05 O ATOM 478 CB ASP A 28 -6.872 8.015 -5.982 1.00 45.24 C ATOM 479 CG ASP A 28 -7.584 9.327 -5.594 1.00 62.05 C ATOM 480 OD1 ASP A 28 -8.403 9.828 -6.398 1.00 54.22 O ATOM 481 OD2 ASP A 28 -7.339 9.859 -4.486 1.00 24.20 O ATOM 0 H ASP A 28 -5.414 6.160 -6.723 1.00 4.02 H new ATOM 0 HA ASP A 28 -6.342 8.558 -8.021 1.00 61.23 H new ATOM 0 HB2 ASP A 28 -7.621 7.281 -6.279 1.00 45.24 H new ATOM 0 HB3 ASP A 28 -6.365 7.615 -5.104 1.00 45.24 H new ATOM 486 N VAL A 29 -3.580 8.688 -6.329 1.00 63.32 N ATOM 487 CA VAL A 29 -2.462 9.491 -5.811 1.00 52.32 C ATOM 488 C VAL A 29 -1.278 9.473 -6.792 1.00 12.30 C ATOM 489 O VAL A 29 -0.780 8.412 -7.154 1.00 30.42 O ATOM 490 CB VAL A 29 -2.020 8.930 -4.417 1.00 41.14 C ATOM 491 CG1 VAL A 29 -0.717 9.567 -3.907 1.00 33.24 C ATOM 492 CG2 VAL A 29 -3.163 9.068 -3.386 1.00 43.31 C ATOM 0 H VAL A 29 -3.387 7.686 -6.330 1.00 63.32 H new ATOM 0 HA VAL A 29 -2.791 10.524 -5.698 1.00 52.32 H new ATOM 0 HB VAL A 29 -1.806 7.870 -4.551 1.00 41.14 H new ATOM 0 HG11 VAL A 29 -0.459 9.141 -2.938 1.00 33.24 H new ATOM 0 HG12 VAL A 29 0.087 9.369 -4.616 1.00 33.24 H new ATOM 0 HG13 VAL A 29 -0.854 10.644 -3.805 1.00 33.24 H new ATOM 0 HG21 VAL A 29 -2.835 8.673 -2.425 1.00 43.31 H new ATOM 0 HG22 VAL A 29 -3.428 10.120 -3.275 1.00 43.31 H new ATOM 0 HG23 VAL A 29 -4.033 8.509 -3.731 1.00 43.31 H new ATOM 502 N ASN A 30 -0.838 10.663 -7.213 1.00 0.33 N ATOM 503 CA ASN A 30 0.357 10.845 -8.069 1.00 64.30 C ATOM 504 C ASN A 30 1.225 12.001 -7.541 1.00 42.33 C ATOM 505 O ASN A 30 2.172 12.427 -8.214 1.00 0.22 O ATOM 506 CB ASN A 30 -0.066 11.086 -9.550 1.00 3.52 C ATOM 507 CG ASN A 30 -0.642 9.836 -10.220 1.00 55.45 C ATOM 508 OD1 ASN A 30 0.073 9.087 -10.888 1.00 4.35 O ATOM 509 ND2 ASN A 30 -1.925 9.585 -10.022 1.00 12.24 N ATOM 0 H ASN A 30 -1.300 11.540 -6.972 1.00 0.33 H new ATOM 0 HA ASN A 30 0.955 9.934 -8.035 1.00 64.30 H new ATOM 0 HB2 ASN A 30 -0.808 11.884 -9.585 1.00 3.52 H new ATOM 0 HB3 ASN A 30 0.799 11.430 -10.118 1.00 3.52 H new ATOM 0 HD21 ASN A 30 -2.350 8.751 -10.427 1.00 12.24 H new ATOM 0 HD22 ASN A 30 -2.490 10.225 -9.464 1.00 12.24 H new ATOM 516 N SER A 31 0.917 12.486 -6.316 1.00 11.32 N ATOM 517 CA SER A 31 1.665 13.578 -5.662 1.00 5.31 C ATOM 518 C SER A 31 2.035 13.208 -4.217 1.00 55.31 C ATOM 519 O SER A 31 1.473 12.272 -3.629 1.00 74.00 O ATOM 520 CB SER A 31 0.846 14.890 -5.690 1.00 14.31 C ATOM 521 OG SER A 31 0.473 15.243 -7.009 1.00 45.00 O ATOM 0 H SER A 31 0.143 12.130 -5.756 1.00 11.32 H new ATOM 0 HA SER A 31 2.589 13.732 -6.219 1.00 5.31 H new ATOM 0 HB2 SER A 31 -0.048 14.775 -5.077 1.00 14.31 H new ATOM 0 HB3 SER A 31 1.433 15.696 -5.249 1.00 14.31 H new ATOM 0 HG SER A 31 -0.390 14.833 -7.226 1.00 45.00 H new ATOM 527 N ARG A 32 2.966 13.996 -3.659 1.00 53.25 N ATOM 528 CA ARG A 32 3.545 13.791 -2.322 1.00 32.33 C ATOM 529 C ARG A 32 2.501 14.057 -1.223 1.00 44.41 C ATOM 530 O ARG A 32 2.395 13.290 -0.266 1.00 34.23 O ATOM 531 CB ARG A 32 4.751 14.748 -2.160 1.00 35.31 C ATOM 532 CG ARG A 32 5.567 14.591 -0.861 1.00 42.41 C ATOM 533 CD ARG A 32 6.738 15.588 -0.803 1.00 13.31 C ATOM 534 NE ARG A 32 7.594 15.383 0.375 1.00 11.05 N ATOM 535 CZ ARG A 32 8.920 15.594 0.418 1.00 20.24 C ATOM 536 NH1 ARG A 32 9.588 16.018 -0.656 1.00 40.34 N ATOM 537 NH2 ARG A 32 9.577 15.379 1.546 1.00 73.43 N ATOM 0 H ARG A 32 3.347 14.813 -4.136 1.00 53.25 H new ATOM 0 HA ARG A 32 3.871 12.756 -2.222 1.00 32.33 H new ATOM 0 HB2 ARG A 32 5.422 14.603 -3.007 1.00 35.31 H new ATOM 0 HB3 ARG A 32 4.386 15.774 -2.215 1.00 35.31 H new ATOM 0 HG2 ARG A 32 4.915 14.744 -0.001 1.00 42.41 H new ATOM 0 HG3 ARG A 32 5.951 13.573 -0.793 1.00 42.41 H new ATOM 0 HD2 ARG A 32 7.340 15.490 -1.707 1.00 13.31 H new ATOM 0 HD3 ARG A 32 6.345 16.605 -0.790 1.00 13.31 H new ATOM 0 HE ARG A 32 7.144 15.054 1.229 1.00 11.05 H new ATOM 0 HH11 ARG A 32 9.092 16.188 -1.531 1.00 40.34 H new ATOM 0 HH12 ARG A 32 10.595 16.172 -0.602 1.00 40.34 H new ATOM 0 HH21 ARG A 32 9.077 15.056 2.374 1.00 73.43 H new ATOM 0 HH22 ARG A 32 10.584 15.537 1.588 1.00 73.43 H new ATOM 551 N GLU A 33 1.732 15.157 -1.392 1.00 11.40 N ATOM 552 CA GLU A 33 0.694 15.591 -0.429 1.00 1.12 C ATOM 553 C GLU A 33 -0.508 14.632 -0.454 1.00 41.40 C ATOM 554 O GLU A 33 -1.149 14.400 0.578 1.00 22.45 O ATOM 555 CB GLU A 33 0.237 17.037 -0.746 1.00 72.02 C ATOM 556 CG GLU A 33 1.375 18.080 -0.725 1.00 71.32 C ATOM 557 CD GLU A 33 0.964 19.442 -1.309 1.00 33.30 C ATOM 558 OE1 GLU A 33 0.819 19.535 -2.545 1.00 32.33 O ATOM 559 OE2 GLU A 33 0.792 20.421 -0.549 1.00 14.43 O ATOM 0 H GLU A 33 1.814 15.770 -2.203 1.00 11.40 H new ATOM 0 HA GLU A 33 1.126 15.572 0.572 1.00 1.12 H new ATOM 0 HB2 GLU A 33 -0.234 17.050 -1.729 1.00 72.02 H new ATOM 0 HB3 GLU A 33 -0.524 17.332 -0.024 1.00 72.02 H new ATOM 0 HG2 GLU A 33 1.711 18.220 0.302 1.00 71.32 H new ATOM 0 HG3 GLU A 33 2.224 17.692 -1.288 1.00 71.32 H new ATOM 566 N GLU A 34 -0.783 14.065 -1.650 1.00 11.51 N ATOM 567 CA GLU A 34 -1.848 13.064 -1.837 1.00 31.51 C ATOM 568 C GLU A 34 -1.479 11.740 -1.124 1.00 23.43 C ATOM 569 O GLU A 34 -2.359 11.002 -0.679 1.00 1.22 O ATOM 570 CB GLU A 34 -2.115 12.802 -3.339 1.00 73.45 C ATOM 571 CG GLU A 34 -2.534 14.024 -4.168 1.00 31.32 C ATOM 572 CD GLU A 34 -2.909 13.646 -5.610 1.00 41.32 C ATOM 573 OE1 GLU A 34 -1.997 13.426 -6.433 1.00 62.41 O ATOM 574 OE2 GLU A 34 -4.114 13.533 -5.920 1.00 23.31 O ATOM 0 H GLU A 34 -0.274 14.289 -2.505 1.00 11.51 H new ATOM 0 HA GLU A 34 -2.760 13.463 -1.394 1.00 31.51 H new ATOM 0 HB2 GLU A 34 -1.212 12.380 -3.780 1.00 73.45 H new ATOM 0 HB3 GLU A 34 -2.895 12.045 -3.423 1.00 73.45 H new ATOM 0 HG2 GLU A 34 -3.383 14.512 -3.689 1.00 31.32 H new ATOM 0 HG3 GLU A 34 -1.719 14.747 -4.184 1.00 31.32 H new ATOM 581 N ALA A 35 -0.169 11.449 -1.046 1.00 40.52 N ATOM 582 CA ALA A 35 0.366 10.279 -0.321 1.00 33.15 C ATOM 583 C ALA A 35 0.466 10.572 1.190 1.00 72.35 C ATOM 584 O ALA A 35 0.288 9.673 2.024 1.00 0.54 O ATOM 585 CB ALA A 35 1.743 9.895 -0.899 1.00 64.54 C ATOM 0 H ALA A 35 0.553 12.020 -1.485 1.00 40.52 H new ATOM 0 HA ALA A 35 -0.316 9.439 -0.451 1.00 33.15 H new ATOM 0 HB1 ALA A 35 2.135 9.031 -0.362 1.00 64.54 H new ATOM 0 HB2 ALA A 35 1.638 9.648 -1.956 1.00 64.54 H new ATOM 0 HB3 ALA A 35 2.431 10.734 -0.789 1.00 64.54 H new ATOM 591 N SER A 36 0.730 11.855 1.524 1.00 72.35 N ATOM 592 CA SER A 36 0.976 12.312 2.908 1.00 43.53 C ATOM 593 C SER A 36 -0.332 12.379 3.718 1.00 4.34 C ATOM 594 O SER A 36 -0.306 12.315 4.950 1.00 13.13 O ATOM 595 CB SER A 36 1.693 13.692 2.903 1.00 21.35 C ATOM 596 OG SER A 36 2.098 14.081 4.212 1.00 62.41 O ATOM 0 H SER A 36 0.778 12.606 0.836 1.00 72.35 H new ATOM 0 HA SER A 36 1.626 11.584 3.393 1.00 43.53 H new ATOM 0 HB2 SER A 36 2.565 13.646 2.251 1.00 21.35 H new ATOM 0 HB3 SER A 36 1.025 14.447 2.489 1.00 21.35 H new ATOM 0 HG SER A 36 2.546 14.952 4.171 1.00 62.41 H new ATOM 602 N LYS A 37 -1.473 12.518 3.021 1.00 70.01 N ATOM 603 CA LYS A 37 -2.805 12.484 3.665 1.00 52.34 C ATOM 604 C LYS A 37 -3.252 11.030 3.934 1.00 61.40 C ATOM 605 O LYS A 37 -4.216 10.791 4.673 1.00 55.41 O ATOM 606 CB LYS A 37 -3.855 13.223 2.788 1.00 34.44 C ATOM 607 CG LYS A 37 -4.110 12.574 1.409 1.00 45.02 C ATOM 608 CD LYS A 37 -5.124 13.353 0.538 1.00 45.31 C ATOM 609 CE LYS A 37 -4.670 14.788 0.232 1.00 2.52 C ATOM 610 NZ LYS A 37 -5.624 15.486 -0.669 1.00 63.00 N ATOM 0 H LYS A 37 -1.503 12.655 2.011 1.00 70.01 H new ATOM 0 HA LYS A 37 -2.730 12.998 4.623 1.00 52.34 H new ATOM 0 HB2 LYS A 37 -4.798 13.269 3.334 1.00 34.44 H new ATOM 0 HB3 LYS A 37 -3.524 14.250 2.636 1.00 34.44 H new ATOM 0 HG2 LYS A 37 -3.165 12.498 0.872 1.00 45.02 H new ATOM 0 HG3 LYS A 37 -4.475 11.558 1.557 1.00 45.02 H new ATOM 0 HD2 LYS A 37 -5.277 12.818 -0.399 1.00 45.31 H new ATOM 0 HD3 LYS A 37 -6.087 13.383 1.049 1.00 45.31 H new ATOM 0 HE2 LYS A 37 -4.575 15.346 1.164 1.00 2.52 H new ATOM 0 HE3 LYS A 37 -3.683 14.767 -0.229 1.00 2.52 H new ATOM 0 HZ1 LYS A 37 -5.284 16.452 -0.853 1.00 63.00 H new ATOM 0 HZ2 LYS A 37 -5.696 14.967 -1.567 1.00 63.00 H new ATOM 0 HZ3 LYS A 37 -6.560 15.528 -0.218 1.00 63.00 H new ATOM 624 N LEU A 38 -2.546 10.063 3.311 1.00 73.44 N ATOM 625 CA LEU A 38 -2.825 8.630 3.486 1.00 73.33 C ATOM 626 C LEU A 38 -2.019 8.021 4.648 1.00 32.10 C ATOM 627 O LEU A 38 -2.117 6.817 4.891 1.00 75.04 O ATOM 628 CB LEU A 38 -2.583 7.854 2.168 1.00 32.43 C ATOM 629 CG LEU A 38 -3.500 8.232 0.963 1.00 73.21 C ATOM 630 CD1 LEU A 38 -3.290 7.256 -0.216 1.00 1.43 C ATOM 631 CD2 LEU A 38 -4.991 8.312 1.378 1.00 21.03 C ATOM 0 H LEU A 38 -1.771 10.257 2.677 1.00 73.44 H new ATOM 0 HA LEU A 38 -3.879 8.536 3.747 1.00 73.33 H new ATOM 0 HB2 LEU A 38 -1.546 8.004 1.868 1.00 32.43 H new ATOM 0 HB3 LEU A 38 -2.706 6.790 2.370 1.00 32.43 H new ATOM 0 HG LEU A 38 -3.211 9.228 0.628 1.00 73.21 H new ATOM 0 HD11 LEU A 38 -3.940 7.540 -1.044 1.00 1.43 H new ATOM 0 HD12 LEU A 38 -2.250 7.296 -0.541 1.00 1.43 H new ATOM 0 HD13 LEU A 38 -3.531 6.242 0.103 1.00 1.43 H new ATOM 0 HD21 LEU A 38 -5.596 8.578 0.511 1.00 21.03 H new ATOM 0 HD22 LEU A 38 -5.314 7.345 1.763 1.00 21.03 H new ATOM 0 HD23 LEU A 38 -5.113 9.070 2.152 1.00 21.03 H new ATOM 643 N ILE A 39 -1.255 8.853 5.382 1.00 43.14 N ATOM 644 CA ILE A 39 -0.587 8.422 6.625 1.00 4.42 C ATOM 645 C ILE A 39 -1.668 8.087 7.683 1.00 3.54 C ATOM 646 O ILE A 39 -2.543 8.919 7.960 1.00 12.25 O ATOM 647 CB ILE A 39 0.410 9.526 7.169 1.00 71.53 C ATOM 648 CG1 ILE A 39 1.474 9.914 6.084 1.00 5.00 C ATOM 649 CG2 ILE A 39 1.110 9.068 8.476 1.00 41.31 C ATOM 650 CD1 ILE A 39 2.345 8.772 5.593 1.00 24.05 C ATOM 0 H ILE A 39 -1.085 9.828 5.135 1.00 43.14 H new ATOM 0 HA ILE A 39 0.011 7.535 6.414 1.00 4.42 H new ATOM 0 HB ILE A 39 -0.184 10.411 7.398 1.00 71.53 H new ATOM 0 HG12 ILE A 39 0.955 10.347 5.229 1.00 5.00 H new ATOM 0 HG13 ILE A 39 2.119 10.691 6.493 1.00 5.00 H new ATOM 0 HG21 ILE A 39 1.786 9.850 8.820 1.00 41.31 H new ATOM 0 HG22 ILE A 39 0.359 8.875 9.242 1.00 41.31 H new ATOM 0 HG23 ILE A 39 1.677 8.157 8.285 1.00 41.31 H new ATOM 0 HD11 ILE A 39 3.046 9.144 4.846 1.00 24.05 H new ATOM 0 HD12 ILE A 39 2.898 8.350 6.432 1.00 24.05 H new ATOM 0 HD13 ILE A 39 1.717 8.001 5.148 1.00 24.05 H new ATOM 662 N GLY A 40 -1.623 6.857 8.226 1.00 43.22 N ATOM 663 CA GLY A 40 -2.614 6.394 9.216 1.00 74.40 C ATOM 664 C GLY A 40 -3.809 5.670 8.587 1.00 24.34 C ATOM 665 O GLY A 40 -4.803 5.412 9.271 1.00 13.21 O ATOM 0 H GLY A 40 -0.910 6.165 7.996 1.00 43.22 H new ATOM 0 HA2 GLY A 40 -2.125 5.725 9.924 1.00 74.40 H new ATOM 0 HA3 GLY A 40 -2.976 7.250 9.785 1.00 74.40 H new ATOM 669 N ARG A 41 -3.721 5.370 7.273 1.00 54.25 N ATOM 670 CA ARG A 41 -4.778 4.643 6.520 1.00 50.15 C ATOM 671 C ARG A 41 -4.539 3.131 6.576 1.00 4.42 C ATOM 672 O ARG A 41 -3.389 2.685 6.574 1.00 20.21 O ATOM 673 CB ARG A 41 -4.849 5.140 5.040 1.00 74.31 C ATOM 674 CG ARG A 41 -5.776 6.352 4.772 1.00 52.12 C ATOM 675 CD ARG A 41 -5.529 7.594 5.666 1.00 73.23 C ATOM 676 NE ARG A 41 -6.106 7.467 7.019 1.00 1.22 N ATOM 677 CZ ARG A 41 -6.279 8.488 7.878 1.00 70.41 C ATOM 678 NH1 ARG A 41 -5.935 9.735 7.550 1.00 15.44 N ATOM 679 NH2 ARG A 41 -6.784 8.251 9.081 1.00 10.41 N ATOM 0 H ARG A 41 -2.916 5.623 6.700 1.00 54.25 H new ATOM 0 HA ARG A 41 -5.737 4.854 6.992 1.00 50.15 H new ATOM 0 HB2 ARG A 41 -3.841 5.401 4.717 1.00 74.31 H new ATOM 0 HB3 ARG A 41 -5.179 4.310 4.415 1.00 74.31 H new ATOM 0 HG2 ARG A 41 -5.664 6.649 3.729 1.00 52.12 H new ATOM 0 HG3 ARG A 41 -6.810 6.032 4.903 1.00 52.12 H new ATOM 0 HD2 ARG A 41 -4.456 7.763 5.751 1.00 73.23 H new ATOM 0 HD3 ARG A 41 -5.953 8.473 5.179 1.00 73.23 H new ATOM 0 HE ARG A 41 -6.394 6.538 7.325 1.00 1.22 H new ATOM 0 HH11 ARG A 41 -5.532 9.929 6.633 1.00 15.44 H new ATOM 0 HH12 ARG A 41 -6.075 10.495 8.216 1.00 15.44 H new ATOM 0 HH21 ARG A 41 -7.038 7.300 9.349 1.00 10.41 H new ATOM 0 HH22 ARG A 41 -6.918 9.019 9.738 1.00 10.41 H new ATOM 693 N LEU A 42 -5.644 2.364 6.588 1.00 2.14 N ATOM 694 CA LEU A 42 -5.615 0.899 6.656 1.00 53.20 C ATOM 695 C LEU A 42 -5.675 0.321 5.235 1.00 20.24 C ATOM 696 O LEU A 42 -6.670 0.505 4.529 1.00 40.21 O ATOM 697 CB LEU A 42 -6.820 0.369 7.483 1.00 43.42 C ATOM 698 CG LEU A 42 -6.876 -1.184 7.672 1.00 12.31 C ATOM 699 CD1 LEU A 42 -5.711 -1.698 8.547 1.00 64.31 C ATOM 700 CD2 LEU A 42 -8.247 -1.638 8.213 1.00 10.11 C ATOM 0 H LEU A 42 -6.587 2.750 6.550 1.00 2.14 H new ATOM 0 HA LEU A 42 -4.691 0.587 7.143 1.00 53.20 H new ATOM 0 HB2 LEU A 42 -6.797 0.837 8.467 1.00 43.42 H new ATOM 0 HB3 LEU A 42 -7.741 0.692 6.998 1.00 43.42 H new ATOM 0 HG LEU A 42 -6.753 -1.635 6.687 1.00 12.31 H new ATOM 0 HD11 LEU A 42 -5.786 -2.780 8.654 1.00 64.31 H new ATOM 0 HD12 LEU A 42 -4.762 -1.445 8.074 1.00 64.31 H new ATOM 0 HD13 LEU A 42 -5.762 -1.232 9.531 1.00 64.31 H new ATOM 0 HD21 LEU A 42 -8.251 -2.721 8.332 1.00 10.11 H new ATOM 0 HD22 LEU A 42 -8.432 -1.166 9.178 1.00 10.11 H new ATOM 0 HD23 LEU A 42 -9.029 -1.348 7.512 1.00 10.11 H new ATOM 712 N VAL A 43 -4.602 -0.360 4.822 1.00 24.52 N ATOM 713 CA VAL A 43 -4.522 -1.002 3.505 1.00 75.31 C ATOM 714 C VAL A 43 -4.836 -2.508 3.642 1.00 53.01 C ATOM 715 O VAL A 43 -4.170 -3.229 4.392 1.00 62.21 O ATOM 716 CB VAL A 43 -3.109 -0.805 2.839 1.00 60.15 C ATOM 717 CG1 VAL A 43 -3.122 -1.302 1.374 1.00 31.44 C ATOM 718 CG2 VAL A 43 -2.650 0.672 2.938 1.00 13.24 C ATOM 0 H VAL A 43 -3.764 -0.482 5.391 1.00 24.52 H new ATOM 0 HA VAL A 43 -5.258 -0.527 2.857 1.00 75.31 H new ATOM 0 HB VAL A 43 -2.384 -1.407 3.386 1.00 60.15 H new ATOM 0 HG11 VAL A 43 -2.136 -1.157 0.932 1.00 31.44 H new ATOM 0 HG12 VAL A 43 -3.378 -2.361 1.351 1.00 31.44 H new ATOM 0 HG13 VAL A 43 -3.861 -0.738 0.805 1.00 31.44 H new ATOM 0 HG21 VAL A 43 -1.671 0.781 2.471 1.00 13.24 H new ATOM 0 HG22 VAL A 43 -3.370 1.312 2.427 1.00 13.24 H new ATOM 0 HG23 VAL A 43 -2.586 0.964 3.986 1.00 13.24 H new ATOM 728 N LEU A 44 -5.885 -2.945 2.933 1.00 12.23 N ATOM 729 CA LEU A 44 -6.345 -4.341 2.890 1.00 24.35 C ATOM 730 C LEU A 44 -5.957 -4.956 1.537 1.00 21.20 C ATOM 731 O LEU A 44 -6.256 -4.379 0.490 1.00 42.02 O ATOM 732 CB LEU A 44 -7.892 -4.375 3.058 1.00 21.22 C ATOM 733 CG LEU A 44 -8.455 -3.701 4.350 1.00 63.34 C ATOM 734 CD1 LEU A 44 -10.002 -3.689 4.356 1.00 53.34 C ATOM 735 CD2 LEU A 44 -7.886 -4.371 5.616 1.00 3.21 C ATOM 0 H LEU A 44 -6.452 -2.322 2.358 1.00 12.23 H new ATOM 0 HA LEU A 44 -5.881 -4.911 3.695 1.00 24.35 H new ATOM 0 HB2 LEU A 44 -8.342 -3.889 2.193 1.00 21.22 H new ATOM 0 HB3 LEU A 44 -8.216 -5.415 3.044 1.00 21.22 H new ATOM 0 HG LEU A 44 -8.128 -2.661 4.352 1.00 63.34 H new ATOM 0 HD11 LEU A 44 -10.359 -3.213 5.269 1.00 53.34 H new ATOM 0 HD12 LEU A 44 -10.365 -3.133 3.491 1.00 53.34 H new ATOM 0 HD13 LEU A 44 -10.374 -4.713 4.311 1.00 53.34 H new ATOM 0 HD21 LEU A 44 -8.294 -3.883 6.501 1.00 3.21 H new ATOM 0 HD22 LEU A 44 -8.161 -5.426 5.624 1.00 3.21 H new ATOM 0 HD23 LEU A 44 -6.800 -4.279 5.619 1.00 3.21 H new ATOM 747 N TRP A 45 -5.293 -6.115 1.567 1.00 43.14 N ATOM 748 CA TRP A 45 -4.937 -6.861 0.357 1.00 43.21 C ATOM 749 C TRP A 45 -4.961 -8.362 0.660 1.00 41.41 C ATOM 750 O TRP A 45 -4.198 -8.840 1.500 1.00 64.21 O ATOM 751 CB TRP A 45 -3.541 -6.438 -0.164 1.00 31.51 C ATOM 752 CG TRP A 45 -3.120 -7.187 -1.413 1.00 33.33 C ATOM 753 CD1 TRP A 45 -3.595 -7.004 -2.678 1.00 52.45 C ATOM 754 CD2 TRP A 45 -2.162 -8.250 -1.500 1.00 40.31 C ATOM 755 NE1 TRP A 45 -2.978 -7.868 -3.535 1.00 64.22 N ATOM 756 CE2 TRP A 45 -2.101 -8.642 -2.840 1.00 72.31 C ATOM 757 CE3 TRP A 45 -1.349 -8.898 -0.569 1.00 72.21 C ATOM 758 CZ2 TRP A 45 -1.267 -9.648 -3.280 1.00 72.43 C ATOM 759 CZ3 TRP A 45 -0.511 -9.906 -1.008 1.00 23.32 C ATOM 760 CH2 TRP A 45 -0.476 -10.272 -2.358 1.00 35.53 C ATOM 0 H TRP A 45 -4.987 -6.562 2.431 1.00 43.14 H new ATOM 0 HA TRP A 45 -5.666 -6.637 -0.422 1.00 43.21 H new ATOM 0 HB2 TRP A 45 -3.547 -5.368 -0.374 1.00 31.51 H new ATOM 0 HB3 TRP A 45 -2.802 -6.605 0.619 1.00 31.51 H new ATOM 0 HD1 TRP A 45 -4.348 -6.282 -2.960 1.00 52.45 H new ATOM 0 HE1 TRP A 45 -3.148 -7.925 -4.539 1.00 64.22 H new ATOM 0 HE3 TRP A 45 -1.374 -8.618 0.474 1.00 72.21 H new ATOM 0 HZ2 TRP A 45 -1.240 -9.934 -4.321 1.00 72.43 H new ATOM 0 HZ3 TRP A 45 0.125 -10.417 -0.300 1.00 23.32 H new ATOM 0 HH2 TRP A 45 0.188 -11.062 -2.677 1.00 35.53 H new ATOM 771 N LYS A 46 -5.823 -9.093 -0.048 1.00 11.45 N ATOM 772 CA LYS A 46 -5.959 -10.539 0.110 1.00 5.23 C ATOM 773 C LYS A 46 -4.862 -11.241 -0.703 1.00 3.24 C ATOM 774 O LYS A 46 -4.831 -11.139 -1.935 1.00 73.13 O ATOM 775 CB LYS A 46 -7.376 -10.992 -0.334 1.00 11.02 C ATOM 776 CG LYS A 46 -7.701 -12.490 -0.097 1.00 54.04 C ATOM 777 CD LYS A 46 -9.197 -12.829 -0.339 1.00 44.04 C ATOM 778 CE LYS A 46 -9.680 -12.514 -1.772 1.00 63.43 C ATOM 779 NZ LYS A 46 -8.961 -13.316 -2.800 1.00 3.30 N ATOM 0 H LYS A 46 -6.448 -8.696 -0.749 1.00 11.45 H new ATOM 0 HA LYS A 46 -5.840 -10.812 1.158 1.00 5.23 H new ATOM 0 HB2 LYS A 46 -8.114 -10.390 0.196 1.00 11.02 H new ATOM 0 HB3 LYS A 46 -7.492 -10.776 -1.396 1.00 11.02 H new ATOM 0 HG2 LYS A 46 -7.084 -13.099 -0.757 1.00 54.04 H new ATOM 0 HG3 LYS A 46 -7.434 -12.757 0.925 1.00 54.04 H new ATOM 0 HD2 LYS A 46 -9.358 -13.888 -0.135 1.00 44.04 H new ATOM 0 HD3 LYS A 46 -9.807 -12.271 0.372 1.00 44.04 H new ATOM 0 HE2 LYS A 46 -10.750 -12.711 -1.844 1.00 63.43 H new ATOM 0 HE3 LYS A 46 -9.536 -11.453 -1.976 1.00 63.43 H new ATOM 0 HZ1 LYS A 46 -9.319 -13.070 -3.745 1.00 3.30 H new ATOM 0 HZ2 LYS A 46 -7.943 -13.110 -2.751 1.00 3.30 H new ATOM 0 HZ3 LYS A 46 -9.118 -14.329 -2.623 1.00 3.30 H new ATOM 793 N SER A 47 -3.923 -11.883 0.011 1.00 52.35 N ATOM 794 CA SER A 47 -2.892 -12.744 -0.583 1.00 1.05 C ATOM 795 C SER A 47 -3.529 -13.990 -1.254 1.00 53.42 C ATOM 796 O SER A 47 -4.628 -14.401 -0.868 1.00 0.02 O ATOM 797 CB SER A 47 -1.883 -13.171 0.520 1.00 14.24 C ATOM 798 OG SER A 47 -2.520 -13.893 1.574 1.00 61.23 O ATOM 0 H SER A 47 -3.859 -11.817 1.027 1.00 52.35 H new ATOM 0 HA SER A 47 -2.366 -12.186 -1.357 1.00 1.05 H new ATOM 0 HB2 SER A 47 -1.102 -13.789 0.078 1.00 14.24 H new ATOM 0 HB3 SER A 47 -1.396 -12.286 0.929 1.00 14.24 H new ATOM 0 HG SER A 47 -3.231 -13.343 1.964 1.00 61.23 H new ATOM 804 N PRO A 48 -2.843 -14.626 -2.267 1.00 21.10 N ATOM 805 CA PRO A 48 -3.285 -15.926 -2.858 1.00 73.35 C ATOM 806 C PRO A 48 -3.236 -17.091 -1.835 1.00 41.32 C ATOM 807 O PRO A 48 -3.716 -18.192 -2.115 1.00 2.53 O ATOM 808 CB PRO A 48 -2.290 -16.144 -4.028 1.00 34.15 C ATOM 809 CG PRO A 48 -1.083 -15.341 -3.657 1.00 54.04 C ATOM 810 CD PRO A 48 -1.617 -14.117 -2.944 1.00 15.54 C ATOM 0 HA PRO A 48 -4.326 -15.902 -3.181 1.00 73.35 H new ATOM 0 HB2 PRO A 48 -2.043 -17.199 -4.146 1.00 34.15 H new ATOM 0 HB3 PRO A 48 -2.713 -15.808 -4.975 1.00 34.15 H new ATOM 0 HG2 PRO A 48 -0.415 -15.911 -3.011 1.00 54.04 H new ATOM 0 HG3 PRO A 48 -0.510 -15.062 -4.541 1.00 54.04 H new ATOM 0 HD2 PRO A 48 -0.896 -13.721 -2.228 1.00 15.54 H new ATOM 0 HD3 PRO A 48 -1.847 -13.312 -3.642 1.00 15.54 H new ATOM 818 N SER A 49 -2.639 -16.826 -0.654 1.00 53.25 N ATOM 819 CA SER A 49 -2.634 -17.752 0.490 1.00 61.31 C ATOM 820 C SER A 49 -4.021 -17.787 1.197 1.00 11.30 C ATOM 821 O SER A 49 -4.258 -18.639 2.065 1.00 50.00 O ATOM 822 CB SER A 49 -1.518 -17.332 1.481 1.00 22.13 C ATOM 823 OG SER A 49 -1.389 -18.248 2.558 1.00 12.21 O ATOM 0 H SER A 49 -2.143 -15.954 -0.470 1.00 53.25 H new ATOM 0 HA SER A 49 -2.434 -18.760 0.127 1.00 61.31 H new ATOM 0 HB2 SER A 49 -0.569 -17.262 0.949 1.00 22.13 H new ATOM 0 HB3 SER A 49 -1.737 -16.339 1.874 1.00 22.13 H new ATOM 0 HG SER A 49 -2.265 -18.637 2.764 1.00 12.21 H new ATOM 829 N GLY A 50 -4.919 -16.845 0.815 1.00 2.31 N ATOM 830 CA GLY A 50 -6.290 -16.763 1.345 1.00 60.14 C ATOM 831 C GLY A 50 -6.443 -15.731 2.458 1.00 31.30 C ATOM 832 O GLY A 50 -7.567 -15.390 2.840 1.00 3.15 O ATOM 0 H GLY A 50 -4.705 -16.122 0.128 1.00 2.31 H new ATOM 0 HA2 GLY A 50 -6.973 -16.515 0.532 1.00 60.14 H new ATOM 0 HA3 GLY A 50 -6.586 -17.742 1.723 1.00 60.14 H new ATOM 836 N LYS A 51 -5.309 -15.236 2.978 1.00 30.34 N ATOM 837 CA LYS A 51 -5.276 -14.281 4.100 1.00 64.30 C ATOM 838 C LYS A 51 -5.479 -12.856 3.568 1.00 33.35 C ATOM 839 O LYS A 51 -4.759 -12.428 2.664 1.00 44.32 O ATOM 840 CB LYS A 51 -3.916 -14.352 4.875 1.00 2.32 C ATOM 841 CG LYS A 51 -3.658 -15.623 5.723 1.00 32.34 C ATOM 842 CD LYS A 51 -3.498 -16.909 4.880 1.00 61.33 C ATOM 843 CE LYS A 51 -3.024 -18.118 5.702 1.00 65.40 C ATOM 844 NZ LYS A 51 -3.922 -18.409 6.851 1.00 51.42 N ATOM 0 H LYS A 51 -4.383 -15.488 2.631 1.00 30.34 H new ATOM 0 HA LYS A 51 -6.078 -14.545 4.789 1.00 64.30 H new ATOM 0 HB2 LYS A 51 -3.107 -14.258 4.150 1.00 2.32 H new ATOM 0 HB3 LYS A 51 -3.856 -13.486 5.534 1.00 2.32 H new ATOM 0 HG2 LYS A 51 -2.757 -15.475 6.319 1.00 32.34 H new ATOM 0 HG3 LYS A 51 -4.484 -15.757 6.422 1.00 32.34 H new ATOM 0 HD2 LYS A 51 -4.452 -17.149 4.411 1.00 61.33 H new ATOM 0 HD3 LYS A 51 -2.785 -16.722 4.077 1.00 61.33 H new ATOM 0 HE2 LYS A 51 -2.969 -18.994 5.056 1.00 65.40 H new ATOM 0 HE3 LYS A 51 -2.016 -17.930 6.071 1.00 65.40 H new ATOM 0 HZ1 LYS A 51 -3.580 -19.252 7.354 1.00 51.42 H new ATOM 0 HZ2 LYS A 51 -3.929 -17.597 7.501 1.00 51.42 H new ATOM 0 HZ3 LYS A 51 -4.887 -18.582 6.503 1.00 51.42 H new ATOM 858 N ILE A 52 -6.457 -12.132 4.131 1.00 34.32 N ATOM 859 CA ILE A 52 -6.612 -10.690 3.893 1.00 1.54 C ATOM 860 C ILE A 52 -5.593 -9.967 4.787 1.00 50.03 C ATOM 861 O ILE A 52 -5.821 -9.775 5.992 1.00 21.54 O ATOM 862 CB ILE A 52 -8.081 -10.183 4.171 1.00 13.31 C ATOM 863 CG1 ILE A 52 -9.113 -10.997 3.322 1.00 22.13 C ATOM 864 CG2 ILE A 52 -8.211 -8.654 3.903 1.00 42.33 C ATOM 865 CD1 ILE A 52 -10.573 -10.658 3.582 1.00 60.03 C ATOM 0 H ILE A 52 -7.158 -12.526 4.759 1.00 34.32 H new ATOM 0 HA ILE A 52 -6.427 -10.473 2.841 1.00 1.54 H new ATOM 0 HB ILE A 52 -8.303 -10.349 5.225 1.00 13.31 H new ATOM 0 HG12 ILE A 52 -8.901 -10.833 2.266 1.00 22.13 H new ATOM 0 HG13 ILE A 52 -8.963 -12.059 3.516 1.00 22.13 H new ATOM 0 HG21 ILE A 52 -9.234 -8.335 4.103 1.00 42.33 H new ATOM 0 HG22 ILE A 52 -7.527 -8.111 4.555 1.00 42.33 H new ATOM 0 HG23 ILE A 52 -7.963 -8.445 2.862 1.00 42.33 H new ATOM 0 HD11 ILE A 52 -11.208 -11.274 2.946 1.00 60.03 H new ATOM 0 HD12 ILE A 52 -10.811 -10.851 4.628 1.00 60.03 H new ATOM 0 HD13 ILE A 52 -10.748 -9.606 3.358 1.00 60.03 H new ATOM 877 N LEU A 53 -4.447 -9.633 4.185 1.00 52.12 N ATOM 878 CA LEU A 53 -3.331 -8.990 4.875 1.00 44.41 C ATOM 879 C LEU A 53 -3.692 -7.524 5.148 1.00 73.33 C ATOM 880 O LEU A 53 -4.095 -6.795 4.236 1.00 54.11 O ATOM 881 CB LEU A 53 -2.038 -9.069 4.009 1.00 41.01 C ATOM 882 CG LEU A 53 -1.610 -10.480 3.494 1.00 14.30 C ATOM 883 CD1 LEU A 53 -0.274 -10.401 2.721 1.00 14.45 C ATOM 884 CD2 LEU A 53 -1.543 -11.514 4.634 1.00 64.33 C ATOM 0 H LEU A 53 -4.269 -9.804 3.195 1.00 52.12 H new ATOM 0 HA LEU A 53 -3.143 -9.505 5.817 1.00 44.41 H new ATOM 0 HB2 LEU A 53 -2.170 -8.419 3.144 1.00 41.01 H new ATOM 0 HB3 LEU A 53 -1.214 -8.658 4.593 1.00 41.01 H new ATOM 0 HG LEU A 53 -2.379 -10.824 2.803 1.00 14.30 H new ATOM 0 HD11 LEU A 53 0.004 -11.396 2.372 1.00 14.45 H new ATOM 0 HD12 LEU A 53 -0.387 -9.735 1.866 1.00 14.45 H new ATOM 0 HD13 LEU A 53 0.505 -10.017 3.379 1.00 14.45 H new ATOM 0 HD21 LEU A 53 -1.242 -12.481 4.231 1.00 64.33 H new ATOM 0 HD22 LEU A 53 -0.816 -11.189 5.378 1.00 64.33 H new ATOM 0 HD23 LEU A 53 -2.524 -11.605 5.101 1.00 64.33 H new ATOM 896 N LYS A 54 -3.577 -7.124 6.410 1.00 33.11 N ATOM 897 CA LYS A 54 -3.887 -5.764 6.859 1.00 15.24 C ATOM 898 C LYS A 54 -2.576 -5.027 7.161 1.00 72.02 C ATOM 899 O LYS A 54 -1.636 -5.620 7.707 1.00 65.43 O ATOM 900 CB LYS A 54 -4.798 -5.825 8.112 1.00 22.44 C ATOM 901 CG LYS A 54 -6.090 -6.663 7.908 1.00 54.04 C ATOM 902 CD LYS A 54 -6.986 -6.711 9.167 1.00 1.24 C ATOM 903 CE LYS A 54 -7.507 -5.326 9.579 1.00 12.45 C ATOM 904 NZ LYS A 54 -8.334 -5.386 10.812 1.00 63.42 N ATOM 0 H LYS A 54 -3.263 -7.739 7.161 1.00 33.11 H new ATOM 0 HA LYS A 54 -4.421 -5.221 6.079 1.00 15.24 H new ATOM 0 HB2 LYS A 54 -4.231 -6.246 8.942 1.00 22.44 H new ATOM 0 HB3 LYS A 54 -5.076 -4.810 8.398 1.00 22.44 H new ATOM 0 HG2 LYS A 54 -6.661 -6.244 7.079 1.00 54.04 H new ATOM 0 HG3 LYS A 54 -5.816 -7.679 7.625 1.00 54.04 H new ATOM 0 HD2 LYS A 54 -7.832 -7.372 8.980 1.00 1.24 H new ATOM 0 HD3 LYS A 54 -6.421 -7.142 9.993 1.00 1.24 H new ATOM 0 HE2 LYS A 54 -6.663 -4.655 9.741 1.00 12.45 H new ATOM 0 HE3 LYS A 54 -8.098 -4.905 8.766 1.00 12.45 H new ATOM 0 HZ1 LYS A 54 -8.665 -4.430 11.055 1.00 63.42 H new ATOM 0 HZ2 LYS A 54 -9.153 -6.006 10.651 1.00 63.42 H new ATOM 0 HZ3 LYS A 54 -7.763 -5.764 11.595 1.00 63.42 H new ATOM 918 N GLY A 55 -2.519 -3.747 6.779 1.00 30.20 N ATOM 919 CA GLY A 55 -1.332 -2.914 6.970 1.00 40.24 C ATOM 920 C GLY A 55 -1.684 -1.453 7.102 1.00 4.24 C ATOM 921 O GLY A 55 -2.862 -1.093 7.043 1.00 1.25 O ATOM 0 H GLY A 55 -3.295 -3.261 6.329 1.00 30.20 H new ATOM 0 HA2 GLY A 55 -0.799 -3.241 7.863 1.00 40.24 H new ATOM 0 HA3 GLY A 55 -0.654 -3.049 6.127 1.00 40.24 H new ATOM 925 N LYS A 56 -0.664 -0.598 7.274 1.00 14.21 N ATOM 926 CA LYS A 56 -0.869 0.843 7.488 1.00 20.33 C ATOM 927 C LYS A 56 0.296 1.653 6.924 1.00 44.40 C ATOM 928 O LYS A 56 1.468 1.286 7.092 1.00 53.21 O ATOM 929 CB LYS A 56 -1.074 1.140 8.995 1.00 50.43 C ATOM 930 CG LYS A 56 -1.267 2.640 9.353 1.00 54.23 C ATOM 931 CD LYS A 56 -1.917 2.842 10.739 1.00 73.32 C ATOM 932 CE LYS A 56 -3.323 2.223 10.802 1.00 2.33 C ATOM 933 NZ LYS A 56 -3.998 2.463 12.103 1.00 11.02 N ATOM 0 H LYS A 56 0.316 -0.882 7.269 1.00 14.21 H new ATOM 0 HA LYS A 56 -1.770 1.144 6.953 1.00 20.33 H new ATOM 0 HB2 LYS A 56 -1.945 0.585 9.343 1.00 50.43 H new ATOM 0 HB3 LYS A 56 -0.213 0.760 9.544 1.00 50.43 H new ATOM 0 HG2 LYS A 56 -0.299 3.142 9.333 1.00 54.23 H new ATOM 0 HG3 LYS A 56 -1.887 3.114 8.592 1.00 54.23 H new ATOM 0 HD2 LYS A 56 -1.286 2.392 11.506 1.00 73.32 H new ATOM 0 HD3 LYS A 56 -1.978 3.907 10.961 1.00 73.32 H new ATOM 0 HE2 LYS A 56 -3.934 2.636 9.999 1.00 2.33 H new ATOM 0 HE3 LYS A 56 -3.251 1.149 10.628 1.00 2.33 H new ATOM 0 HZ1 LYS A 56 -4.941 2.025 12.091 1.00 11.02 H new ATOM 0 HZ2 LYS A 56 -3.432 2.046 12.870 1.00 11.02 H new ATOM 0 HZ3 LYS A 56 -4.094 3.486 12.261 1.00 11.02 H new ATOM 947 N ILE A 57 -0.061 2.762 6.256 1.00 54.43 N ATOM 948 CA ILE A 57 0.886 3.687 5.635 1.00 72.23 C ATOM 949 C ILE A 57 1.570 4.534 6.722 1.00 22.33 C ATOM 950 O ILE A 57 0.961 5.444 7.301 1.00 72.54 O ATOM 951 CB ILE A 57 0.159 4.587 4.568 1.00 14.05 C ATOM 952 CG1 ILE A 57 -0.565 3.683 3.519 1.00 21.35 C ATOM 953 CG2 ILE A 57 1.143 5.577 3.886 1.00 74.24 C ATOM 954 CD1 ILE A 57 -1.465 4.414 2.543 1.00 24.31 C ATOM 0 H ILE A 57 -1.034 3.041 6.133 1.00 54.43 H new ATOM 0 HA ILE A 57 1.655 3.120 5.111 1.00 72.23 H new ATOM 0 HB ILE A 57 -0.588 5.194 5.079 1.00 14.05 H new ATOM 0 HG12 ILE A 57 0.189 3.137 2.953 1.00 21.35 H new ATOM 0 HG13 ILE A 57 -1.161 2.942 4.052 1.00 21.35 H new ATOM 0 HG21 ILE A 57 0.604 6.181 3.156 1.00 74.24 H new ATOM 0 HG22 ILE A 57 1.585 6.228 4.640 1.00 74.24 H new ATOM 0 HG23 ILE A 57 1.932 5.018 3.383 1.00 74.24 H new ATOM 0 HD11 ILE A 57 -1.919 3.697 1.859 1.00 24.31 H new ATOM 0 HD12 ILE A 57 -2.248 4.937 3.092 1.00 24.31 H new ATOM 0 HD13 ILE A 57 -0.877 5.135 1.975 1.00 24.31 H new ATOM 966 N VAL A 58 2.826 4.169 7.017 1.00 31.34 N ATOM 967 CA VAL A 58 3.649 4.807 8.067 1.00 11.10 C ATOM 968 C VAL A 58 4.504 5.957 7.490 1.00 60.24 C ATOM 969 O VAL A 58 4.971 6.825 8.236 1.00 0.43 O ATOM 970 CB VAL A 58 4.578 3.743 8.781 1.00 12.24 C ATOM 971 CG1 VAL A 58 3.736 2.636 9.469 1.00 11.44 C ATOM 972 CG2 VAL A 58 5.611 3.135 7.792 1.00 43.23 C ATOM 0 H VAL A 58 3.309 3.414 6.530 1.00 31.34 H new ATOM 0 HA VAL A 58 2.967 5.227 8.806 1.00 11.10 H new ATOM 0 HB VAL A 58 5.138 4.264 9.557 1.00 12.24 H new ATOM 0 HG11 VAL A 58 4.401 1.920 9.951 1.00 11.44 H new ATOM 0 HG12 VAL A 58 3.085 3.087 10.218 1.00 11.44 H new ATOM 0 HG13 VAL A 58 3.130 2.123 8.722 1.00 11.44 H new ATOM 0 HG21 VAL A 58 6.232 2.409 8.316 1.00 43.23 H new ATOM 0 HG22 VAL A 58 5.085 2.641 6.975 1.00 43.23 H new ATOM 0 HG23 VAL A 58 6.241 3.929 7.390 1.00 43.23 H new ATOM 982 N ARG A 59 4.688 5.963 6.155 1.00 62.32 N ATOM 983 CA ARG A 59 5.558 6.936 5.466 1.00 42.53 C ATOM 984 C ARG A 59 5.180 7.007 3.972 1.00 60.12 C ATOM 985 O ARG A 59 4.495 6.117 3.460 1.00 44.11 O ATOM 986 CB ARG A 59 7.055 6.534 5.657 1.00 32.23 C ATOM 987 CG ARG A 59 8.093 7.552 5.126 1.00 43.35 C ATOM 988 CD ARG A 59 9.544 7.144 5.422 1.00 13.33 C ATOM 989 NE ARG A 59 9.802 7.067 6.871 1.00 54.24 N ATOM 990 CZ ARG A 59 10.981 7.282 7.469 1.00 51.51 C ATOM 991 NH1 ARG A 59 12.067 7.596 6.765 1.00 31.22 N ATOM 992 NH2 ARG A 59 11.057 7.182 8.791 1.00 61.40 N ATOM 0 H ARG A 59 4.240 5.296 5.526 1.00 62.32 H new ATOM 0 HA ARG A 59 5.417 7.927 5.898 1.00 42.53 H new ATOM 0 HB2 ARG A 59 7.238 6.377 6.720 1.00 32.23 H new ATOM 0 HB3 ARG A 59 7.222 5.578 5.160 1.00 32.23 H new ATOM 0 HG2 ARG A 59 7.966 7.663 4.049 1.00 43.35 H new ATOM 0 HG3 ARG A 59 7.898 8.527 5.572 1.00 43.35 H new ATOM 0 HD2 ARG A 59 9.751 6.177 4.963 1.00 13.33 H new ATOM 0 HD3 ARG A 59 10.225 7.865 4.969 1.00 13.33 H new ATOM 0 HE ARG A 59 9.013 6.829 7.472 1.00 54.24 H new ATOM 0 HH11 ARG A 59 12.011 7.677 5.750 1.00 31.22 H new ATOM 0 HH12 ARG A 59 12.955 7.756 7.241 1.00 31.22 H new ATOM 0 HH21 ARG A 59 10.226 6.945 9.333 1.00 61.40 H new ATOM 0 HH22 ARG A 59 11.946 7.342 9.264 1.00 61.40 H new ATOM 1006 N VAL A 60 5.580 8.099 3.296 1.00 62.44 N ATOM 1007 CA VAL A 60 5.456 8.242 1.826 1.00 73.02 C ATOM 1008 C VAL A 60 6.783 7.823 1.154 1.00 72.01 C ATOM 1009 O VAL A 60 7.786 7.572 1.837 1.00 33.32 O ATOM 1010 CB VAL A 60 5.072 9.717 1.406 1.00 3.13 C ATOM 1011 CG1 VAL A 60 3.855 10.212 2.210 1.00 60.11 C ATOM 1012 CG2 VAL A 60 6.261 10.699 1.536 1.00 14.34 C ATOM 0 H VAL A 60 5.999 8.910 3.750 1.00 62.44 H new ATOM 0 HA VAL A 60 4.650 7.590 1.490 1.00 73.02 H new ATOM 0 HB VAL A 60 4.804 9.689 0.350 1.00 3.13 H new ATOM 0 HG11 VAL A 60 3.607 11.229 1.906 1.00 60.11 H new ATOM 0 HG12 VAL A 60 3.003 9.559 2.020 1.00 60.11 H new ATOM 0 HG13 VAL A 60 4.092 10.199 3.274 1.00 60.11 H new ATOM 0 HG21 VAL A 60 5.943 11.697 1.235 1.00 14.34 H new ATOM 0 HG22 VAL A 60 6.601 10.723 2.571 1.00 14.34 H new ATOM 0 HG23 VAL A 60 7.077 10.369 0.893 1.00 14.34 H new ATOM 1022 N HIS A 61 6.771 7.720 -0.177 1.00 4.00 N ATOM 1023 CA HIS A 61 7.977 7.472 -0.976 1.00 70.22 C ATOM 1024 C HIS A 61 8.060 8.528 -2.087 1.00 53.14 C ATOM 1025 O HIS A 61 7.327 8.454 -3.085 1.00 73.14 O ATOM 1026 CB HIS A 61 7.961 6.033 -1.558 1.00 42.14 C ATOM 1027 CG HIS A 61 9.150 5.711 -2.421 1.00 1.10 C ATOM 1028 ND1 HIS A 61 10.423 5.545 -1.920 1.00 71.41 N ATOM 1029 CD2 HIS A 61 9.259 5.555 -3.763 1.00 60.13 C ATOM 1030 CE1 HIS A 61 11.257 5.312 -2.915 1.00 51.34 C ATOM 1031 NE2 HIS A 61 10.576 5.311 -4.040 1.00 73.20 N ATOM 0 H HIS A 61 5.921 7.806 -0.735 1.00 4.00 H new ATOM 0 HA HIS A 61 8.862 7.552 -0.345 1.00 70.22 H new ATOM 0 HB2 HIS A 61 7.918 5.319 -0.735 1.00 42.14 H new ATOM 0 HB3 HIS A 61 7.052 5.899 -2.144 1.00 42.14 H new ATOM 0 HD2 HIS A 61 8.454 5.613 -4.481 1.00 60.13 H new ATOM 0 HE1 HIS A 61 12.321 5.149 -2.821 1.00 51.34 H new ATOM 0 HE2 HIS A 61 10.967 5.154 -4.969 1.00 73.20 H new ATOM 1040 N GLY A 62 8.950 9.519 -1.869 1.00 41.54 N ATOM 1041 CA GLY A 62 9.224 10.582 -2.832 1.00 34.33 C ATOM 1042 C GLY A 62 8.018 11.467 -3.144 1.00 2.04 C ATOM 1043 O GLY A 62 7.142 11.672 -2.293 1.00 12.11 O ATOM 0 H GLY A 62 9.497 9.596 -1.011 1.00 41.54 H new ATOM 0 HA2 GLY A 62 10.030 11.207 -2.448 1.00 34.33 H new ATOM 0 HA3 GLY A 62 9.582 10.134 -3.759 1.00 34.33 H new ATOM 1047 N THR A 63 8.005 11.999 -4.370 1.00 5.03 N ATOM 1048 CA THR A 63 6.918 12.832 -4.904 1.00 60.52 C ATOM 1049 C THR A 63 6.134 12.079 -5.993 1.00 31.53 C ATOM 1050 O THR A 63 5.256 12.659 -6.639 1.00 23.32 O ATOM 1051 CB THR A 63 7.510 14.164 -5.472 1.00 74.44 C ATOM 1052 OG1 THR A 63 8.565 13.871 -6.410 1.00 75.11 O ATOM 1053 CG2 THR A 63 8.057 15.061 -4.347 1.00 11.41 C ATOM 0 H THR A 63 8.766 11.861 -5.035 1.00 5.03 H new ATOM 0 HA THR A 63 6.224 13.065 -4.097 1.00 60.52 H new ATOM 0 HB THR A 63 6.705 14.700 -5.975 1.00 74.44 H new ATOM 0 HG1 THR A 63 8.930 14.709 -6.763 1.00 75.11 H new ATOM 0 HG21 THR A 63 8.461 15.978 -4.777 1.00 11.41 H new ATOM 0 HG22 THR A 63 7.252 15.308 -3.655 1.00 11.41 H new ATOM 0 HG23 THR A 63 8.846 14.533 -3.812 1.00 11.41 H new ATOM 1061 N LYS A 64 6.453 10.774 -6.173 1.00 1.01 N ATOM 1062 CA LYS A 64 5.770 9.902 -7.152 1.00 11.51 C ATOM 1063 C LYS A 64 4.309 9.658 -6.748 1.00 55.33 C ATOM 1064 O LYS A 64 3.450 9.440 -7.605 1.00 11.43 O ATOM 1065 CB LYS A 64 6.514 8.540 -7.300 1.00 32.24 C ATOM 1066 CG LYS A 64 7.990 8.649 -7.742 1.00 72.23 C ATOM 1067 CD LYS A 64 8.170 9.487 -9.026 1.00 33.20 C ATOM 1068 CE LYS A 64 9.634 9.569 -9.483 1.00 33.42 C ATOM 1069 NZ LYS A 64 9.808 10.581 -10.562 1.00 52.21 N ATOM 0 H LYS A 64 7.187 10.301 -5.646 1.00 1.01 H new ATOM 0 HA LYS A 64 5.784 10.415 -8.114 1.00 11.51 H new ATOM 0 HB2 LYS A 64 6.474 8.015 -6.346 1.00 32.24 H new ATOM 0 HB3 LYS A 64 5.978 7.927 -8.024 1.00 32.24 H new ATOM 0 HG2 LYS A 64 8.573 9.096 -6.937 1.00 72.23 H new ATOM 0 HG3 LYS A 64 8.390 7.649 -7.908 1.00 72.23 H new ATOM 0 HD2 LYS A 64 7.569 9.053 -9.825 1.00 33.20 H new ATOM 0 HD3 LYS A 64 7.791 10.494 -8.853 1.00 33.20 H new ATOM 0 HE2 LYS A 64 10.268 9.826 -8.635 1.00 33.42 H new ATOM 0 HE3 LYS A 64 9.961 8.593 -9.841 1.00 33.42 H new ATOM 0 HZ1 LYS A 64 10.807 10.613 -10.850 1.00 52.21 H new ATOM 0 HZ2 LYS A 64 9.220 10.321 -11.380 1.00 52.21 H new ATOM 0 HZ3 LYS A 64 9.518 11.516 -10.211 1.00 52.21 H new ATOM 1083 N GLY A 65 4.053 9.717 -5.433 1.00 54.15 N ATOM 1084 CA GLY A 65 2.750 9.379 -4.869 1.00 22.01 C ATOM 1085 C GLY A 65 2.710 7.949 -4.349 1.00 3.12 C ATOM 1086 O GLY A 65 1.661 7.478 -3.904 1.00 65.15 O ATOM 0 H GLY A 65 4.744 10.000 -4.738 1.00 54.15 H new ATOM 0 HA2 GLY A 65 2.516 10.067 -4.057 1.00 22.01 H new ATOM 0 HA3 GLY A 65 1.980 9.510 -5.629 1.00 22.01 H new ATOM 1090 N ALA A 66 3.862 7.256 -4.419 1.00 45.13 N ATOM 1091 CA ALA A 66 4.020 5.912 -3.862 1.00 73.32 C ATOM 1092 C ALA A 66 3.961 5.982 -2.325 1.00 55.04 C ATOM 1093 O ALA A 66 4.625 6.818 -1.715 1.00 73.55 O ATOM 1094 CB ALA A 66 5.341 5.281 -4.346 1.00 4.30 C ATOM 0 H ALA A 66 4.705 7.618 -4.864 1.00 45.13 H new ATOM 0 HA ALA A 66 3.206 5.276 -4.210 1.00 73.32 H new ATOM 0 HB1 ALA A 66 5.443 4.282 -3.923 1.00 4.30 H new ATOM 0 HB2 ALA A 66 5.336 5.216 -5.434 1.00 4.30 H new ATOM 0 HB3 ALA A 66 6.179 5.899 -4.024 1.00 4.30 H new ATOM 1100 N VAL A 67 3.132 5.126 -1.720 1.00 55.25 N ATOM 1101 CA VAL A 67 2.981 5.034 -0.259 1.00 44.34 C ATOM 1102 C VAL A 67 3.745 3.811 0.289 1.00 5.53 C ATOM 1103 O VAL A 67 3.984 2.826 -0.427 1.00 23.32 O ATOM 1104 CB VAL A 67 1.459 4.959 0.150 1.00 61.23 C ATOM 1105 CG1 VAL A 67 0.717 6.269 -0.217 1.00 74.22 C ATOM 1106 CG2 VAL A 67 0.761 3.721 -0.475 1.00 21.34 C ATOM 0 H VAL A 67 2.541 4.471 -2.232 1.00 55.25 H new ATOM 0 HA VAL A 67 3.407 5.936 0.180 1.00 44.34 H new ATOM 0 HB VAL A 67 1.415 4.844 1.233 1.00 61.23 H new ATOM 0 HG11 VAL A 67 -0.330 6.189 0.076 1.00 74.22 H new ATOM 0 HG12 VAL A 67 1.177 7.107 0.307 1.00 74.22 H new ATOM 0 HG13 VAL A 67 0.781 6.434 -1.293 1.00 74.22 H new ATOM 0 HG21 VAL A 67 -0.286 3.702 -0.172 1.00 21.34 H new ATOM 0 HG22 VAL A 67 0.823 3.778 -1.562 1.00 21.34 H new ATOM 0 HG23 VAL A 67 1.255 2.812 -0.131 1.00 21.34 H new ATOM 1116 N ARG A 68 4.141 3.905 1.560 1.00 0.41 N ATOM 1117 CA ARG A 68 4.854 2.842 2.273 1.00 2.14 C ATOM 1118 C ARG A 68 3.928 2.279 3.360 1.00 54.11 C ATOM 1119 O ARG A 68 3.737 2.911 4.409 1.00 24.03 O ATOM 1120 CB ARG A 68 6.156 3.416 2.896 1.00 43.11 C ATOM 1121 CG ARG A 68 6.951 2.413 3.754 1.00 21.33 C ATOM 1122 CD ARG A 68 8.111 3.050 4.524 1.00 3.34 C ATOM 1123 NE ARG A 68 9.128 3.642 3.645 1.00 52.42 N ATOM 1124 CZ ARG A 68 10.440 3.711 3.918 1.00 54.21 C ATOM 1125 NH1 ARG A 68 10.942 3.221 5.052 1.00 31.34 N ATOM 1126 NH2 ARG A 68 11.251 4.282 3.046 1.00 52.05 N ATOM 0 H ARG A 68 3.973 4.733 2.131 1.00 0.41 H new ATOM 0 HA ARG A 68 5.131 2.041 1.588 1.00 2.14 H new ATOM 0 HB2 ARG A 68 6.799 3.778 2.093 1.00 43.11 H new ATOM 0 HB3 ARG A 68 5.900 4.278 3.512 1.00 43.11 H new ATOM 0 HG2 ARG A 68 6.273 1.937 4.463 1.00 21.33 H new ATOM 0 HG3 ARG A 68 7.342 1.626 3.109 1.00 21.33 H new ATOM 0 HD2 ARG A 68 7.719 3.821 5.188 1.00 3.34 H new ATOM 0 HD3 ARG A 68 8.579 2.294 5.155 1.00 3.34 H new ATOM 0 HE ARG A 68 8.812 4.031 2.757 1.00 52.42 H new ATOM 0 HH11 ARG A 68 10.325 2.782 5.735 1.00 31.34 H new ATOM 0 HH12 ARG A 68 11.943 3.286 5.236 1.00 31.34 H new ATOM 0 HH21 ARG A 68 10.878 4.664 2.177 1.00 52.05 H new ATOM 0 HH22 ARG A 68 12.250 4.341 3.242 1.00 52.05 H new ATOM 1140 N ALA A 69 3.354 1.097 3.098 1.00 30.54 N ATOM 1141 CA ALA A 69 2.411 0.432 4.013 1.00 31.42 C ATOM 1142 C ALA A 69 3.051 -0.838 4.586 1.00 30.00 C ATOM 1143 O ALA A 69 3.379 -1.752 3.833 1.00 2.13 O ATOM 1144 CB ALA A 69 1.098 0.111 3.274 1.00 44.54 C ATOM 0 H ALA A 69 3.530 0.571 2.242 1.00 30.54 H new ATOM 0 HA ALA A 69 2.177 1.099 4.842 1.00 31.42 H new ATOM 0 HB1 ALA A 69 0.406 -0.381 3.958 1.00 44.54 H new ATOM 0 HB2 ALA A 69 0.651 1.035 2.908 1.00 44.54 H new ATOM 0 HB3 ALA A 69 1.306 -0.549 2.432 1.00 44.54 H new ATOM 1150 N ARG A 70 3.257 -0.879 5.916 1.00 54.11 N ATOM 1151 CA ARG A 70 3.807 -2.070 6.590 1.00 55.13 C ATOM 1152 C ARG A 70 2.646 -2.975 7.012 1.00 43.42 C ATOM 1153 O ARG A 70 1.796 -2.560 7.805 1.00 1.01 O ATOM 1154 CB ARG A 70 4.659 -1.703 7.840 1.00 21.45 C ATOM 1155 CG ARG A 70 5.759 -0.651 7.610 1.00 55.41 C ATOM 1156 CD ARG A 70 6.712 -0.532 8.820 1.00 51.20 C ATOM 1157 NE ARG A 70 5.993 -0.417 10.109 1.00 13.41 N ATOM 1158 CZ ARG A 70 6.548 -0.575 11.331 1.00 71.11 C ATOM 1159 NH1 ARG A 70 7.848 -0.838 11.474 1.00 44.32 N ATOM 1160 NH2 ARG A 70 5.777 -0.524 12.413 1.00 41.52 N ATOM 0 H ARG A 70 3.051 -0.102 6.544 1.00 54.11 H new ATOM 0 HA ARG A 70 4.466 -2.581 5.888 1.00 55.13 H new ATOM 0 HB2 ARG A 70 3.990 -1.338 8.619 1.00 21.45 H new ATOM 0 HB3 ARG A 70 5.125 -2.612 8.220 1.00 21.45 H new ATOM 0 HG2 ARG A 70 6.333 -0.916 6.722 1.00 55.41 H new ATOM 0 HG3 ARG A 70 5.299 0.318 7.415 1.00 55.41 H new ATOM 0 HD2 ARG A 70 7.364 -1.405 8.850 1.00 51.20 H new ATOM 0 HD3 ARG A 70 7.352 0.340 8.688 1.00 51.20 H new ATOM 0 HE ARG A 70 4.997 -0.201 10.072 1.00 13.41 H new ATOM 0 HH11 ARG A 70 8.445 -0.924 10.651 1.00 44.32 H new ATOM 0 HH12 ARG A 70 8.245 -0.953 12.406 1.00 44.32 H new ATOM 0 HH21 ARG A 70 4.774 -0.367 12.317 1.00 41.52 H new ATOM 0 HH22 ARG A 70 6.189 -0.642 13.339 1.00 41.52 H new ATOM 1174 N PHE A 71 2.611 -4.194 6.468 1.00 71.05 N ATOM 1175 CA PHE A 71 1.571 -5.186 6.769 1.00 72.51 C ATOM 1176 C PHE A 71 2.018 -6.068 7.942 1.00 10.45 C ATOM 1177 O PHE A 71 3.116 -6.625 7.913 1.00 11.03 O ATOM 1178 CB PHE A 71 1.256 -6.038 5.508 1.00 1.02 C ATOM 1179 CG PHE A 71 0.466 -5.290 4.428 1.00 71.43 C ATOM 1180 CD1 PHE A 71 0.973 -4.142 3.823 1.00 35.34 C ATOM 1181 CD2 PHE A 71 -0.786 -5.739 4.021 1.00 2.22 C ATOM 1182 CE1 PHE A 71 0.252 -3.477 2.850 1.00 63.24 C ATOM 1183 CE2 PHE A 71 -1.506 -5.074 3.050 1.00 1.44 C ATOM 1184 CZ PHE A 71 -0.987 -3.945 2.467 1.00 25.33 C ATOM 0 H PHE A 71 3.308 -4.525 5.801 1.00 71.05 H new ATOM 0 HA PHE A 71 0.655 -4.671 7.058 1.00 72.51 H new ATOM 0 HB2 PHE A 71 2.193 -6.391 5.078 1.00 1.02 H new ATOM 0 HB3 PHE A 71 0.692 -6.920 5.810 1.00 1.02 H new ATOM 0 HD1 PHE A 71 1.942 -3.767 4.118 1.00 35.34 H new ATOM 0 HD2 PHE A 71 -1.203 -6.626 4.474 1.00 2.22 H new ATOM 0 HE1 PHE A 71 0.659 -2.589 2.389 1.00 63.24 H new ATOM 0 HE2 PHE A 71 -2.476 -5.441 2.749 1.00 1.44 H new ATOM 0 HZ PHE A 71 -1.550 -3.423 1.707 1.00 25.33 H new ATOM 1194 N GLU A 72 1.136 -6.179 8.954 1.00 65.40 N ATOM 1195 CA GLU A 72 1.388 -6.915 10.211 1.00 72.21 C ATOM 1196 C GLU A 72 1.730 -8.404 9.966 1.00 22.31 C ATOM 1197 O GLU A 72 2.503 -9.004 10.726 1.00 44.34 O ATOM 1198 CB GLU A 72 0.158 -6.784 11.157 1.00 30.32 C ATOM 1199 CG GLU A 72 -1.191 -7.217 10.531 1.00 42.22 C ATOM 1200 CD GLU A 72 -2.392 -7.093 11.485 1.00 2.43 C ATOM 1201 OE1 GLU A 72 -2.647 -5.983 11.992 1.00 21.52 O ATOM 1202 OE2 GLU A 72 -3.090 -8.095 11.731 1.00 14.14 O ATOM 0 H GLU A 72 0.210 -5.752 8.921 1.00 65.40 H new ATOM 0 HA GLU A 72 2.261 -6.466 10.685 1.00 72.21 H new ATOM 0 HB2 GLU A 72 0.338 -7.384 12.049 1.00 30.32 H new ATOM 0 HB3 GLU A 72 0.076 -5.747 11.482 1.00 30.32 H new ATOM 0 HG2 GLU A 72 -1.380 -6.611 9.645 1.00 42.22 H new ATOM 0 HG3 GLU A 72 -1.110 -8.252 10.198 1.00 42.22 H new ATOM 1209 N LYS A 73 1.131 -8.989 8.913 1.00 71.42 N ATOM 1210 CA LYS A 73 1.397 -10.383 8.505 1.00 33.04 C ATOM 1211 C LYS A 73 2.548 -10.411 7.494 1.00 71.03 C ATOM 1212 O LYS A 73 3.376 -11.323 7.518 1.00 23.22 O ATOM 1213 CB LYS A 73 0.129 -11.035 7.894 1.00 20.41 C ATOM 1214 CG LYS A 73 -1.136 -10.907 8.765 1.00 43.45 C ATOM 1215 CD LYS A 73 -0.930 -11.383 10.224 1.00 53.20 C ATOM 1216 CE LYS A 73 -2.200 -11.233 11.077 1.00 13.24 C ATOM 1217 NZ LYS A 73 -1.957 -11.570 12.508 1.00 60.10 N ATOM 0 H LYS A 73 0.451 -8.512 8.322 1.00 71.42 H new ATOM 0 HA LYS A 73 1.677 -10.957 9.388 1.00 33.04 H new ATOM 0 HB2 LYS A 73 -0.066 -10.581 6.923 1.00 20.41 H new ATOM 0 HB3 LYS A 73 0.328 -12.092 7.717 1.00 20.41 H new ATOM 0 HG2 LYS A 73 -1.459 -9.866 8.773 1.00 43.45 H new ATOM 0 HG3 LYS A 73 -1.940 -11.487 8.312 1.00 43.45 H new ATOM 0 HD2 LYS A 73 -0.619 -12.428 10.221 1.00 53.20 H new ATOM 0 HD3 LYS A 73 -0.121 -10.811 10.679 1.00 53.20 H new ATOM 0 HE2 LYS A 73 -2.567 -10.209 11.003 1.00 13.24 H new ATOM 0 HE3 LYS A 73 -2.981 -11.881 10.680 1.00 13.24 H new ATOM 0 HZ1 LYS A 73 -2.839 -11.455 13.046 1.00 60.10 H new ATOM 0 HZ2 LYS A 73 -1.632 -12.555 12.582 1.00 60.10 H new ATOM 0 HZ3 LYS A 73 -1.230 -10.935 12.896 1.00 60.10 H new ATOM 1231 N GLY A 74 2.559 -9.384 6.603 1.00 35.23 N ATOM 1232 CA GLY A 74 3.635 -9.160 5.620 1.00 4.25 C ATOM 1233 C GLY A 74 3.984 -10.382 4.784 1.00 75.04 C ATOM 1234 O GLY A 74 5.156 -10.603 4.453 1.00 24.32 O ATOM 0 H GLY A 74 1.814 -8.689 6.552 1.00 35.23 H new ATOM 0 HA2 GLY A 74 3.339 -8.351 4.953 1.00 4.25 H new ATOM 0 HA3 GLY A 74 4.529 -8.828 6.147 1.00 4.25 H new ATOM 1238 N LEU A 75 2.949 -11.174 4.460 1.00 71.24 N ATOM 1239 CA LEU A 75 3.109 -12.445 3.748 1.00 52.24 C ATOM 1240 C LEU A 75 3.377 -12.199 2.255 1.00 31.01 C ATOM 1241 O LEU A 75 2.684 -11.380 1.629 1.00 33.34 O ATOM 1242 CB LEU A 75 1.861 -13.352 3.960 1.00 72.43 C ATOM 1243 CG LEU A 75 1.685 -13.910 5.405 1.00 13.21 C ATOM 1244 CD1 LEU A 75 0.398 -14.762 5.532 1.00 55.31 C ATOM 1245 CD2 LEU A 75 2.948 -14.699 5.837 1.00 64.41 C ATOM 0 H LEU A 75 1.980 -10.948 4.686 1.00 71.24 H new ATOM 0 HA LEU A 75 3.973 -12.967 4.158 1.00 52.24 H new ATOM 0 HB2 LEU A 75 0.969 -12.784 3.696 1.00 72.43 H new ATOM 0 HB3 LEU A 75 1.920 -14.192 3.268 1.00 72.43 H new ATOM 0 HG LEU A 75 1.569 -13.067 6.086 1.00 13.21 H new ATOM 0 HD11 LEU A 75 0.308 -15.135 6.552 1.00 55.31 H new ATOM 0 HD12 LEU A 75 -0.470 -14.148 5.292 1.00 55.31 H new ATOM 0 HD13 LEU A 75 0.449 -15.604 4.842 1.00 55.31 H new ATOM 0 HD21 LEU A 75 2.810 -15.082 6.848 1.00 64.41 H new ATOM 0 HD22 LEU A 75 3.109 -15.532 5.152 1.00 64.41 H new ATOM 0 HD23 LEU A 75 3.815 -14.039 5.815 1.00 64.41 H new ATOM 1257 N PRO A 76 4.400 -12.892 1.659 1.00 52.23 N ATOM 1258 CA PRO A 76 4.687 -12.765 0.226 1.00 74.22 C ATOM 1259 C PRO A 76 3.609 -13.498 -0.607 1.00 75.51 C ATOM 1260 O PRO A 76 3.394 -14.715 -0.462 1.00 35.04 O ATOM 1261 CB PRO A 76 6.088 -13.420 0.091 1.00 10.21 C ATOM 1262 CG PRO A 76 6.153 -14.426 1.205 1.00 21.10 C ATOM 1263 CD PRO A 76 5.331 -13.844 2.338 1.00 72.00 C ATOM 0 HA PRO A 76 4.677 -11.739 -0.141 1.00 74.22 H new ATOM 0 HB2 PRO A 76 6.209 -13.898 -0.881 1.00 10.21 H new ATOM 0 HB3 PRO A 76 6.881 -12.678 0.182 1.00 10.21 H new ATOM 0 HG2 PRO A 76 5.753 -15.388 0.886 1.00 21.10 H new ATOM 0 HG3 PRO A 76 7.183 -14.597 1.517 1.00 21.10 H new ATOM 0 HD2 PRO A 76 4.786 -14.620 2.875 1.00 72.00 H new ATOM 0 HD3 PRO A 76 5.961 -13.334 3.067 1.00 72.00 H new ATOM 1271 N GLY A 77 2.925 -12.734 -1.463 1.00 73.21 N ATOM 1272 CA GLY A 77 1.926 -13.274 -2.378 1.00 42.40 C ATOM 1273 C GLY A 77 2.480 -13.450 -3.780 1.00 4.02 C ATOM 1274 O GLY A 77 1.853 -14.117 -4.616 1.00 53.45 O ATOM 0 H GLY A 77 3.051 -11.725 -1.538 1.00 73.21 H new ATOM 0 HA2 GLY A 77 1.573 -14.235 -2.004 1.00 42.40 H new ATOM 0 HA3 GLY A 77 1.064 -12.608 -2.409 1.00 42.40 H new ATOM 1278 N GLN A 78 3.648 -12.803 -4.037 1.00 23.44 N ATOM 1279 CA GLN A 78 4.378 -12.854 -5.330 1.00 41.24 C ATOM 1280 C GLN A 78 3.579 -12.134 -6.463 1.00 0.52 C ATOM 1281 O GLN A 78 3.933 -12.171 -7.642 1.00 33.23 O ATOM 1282 CB GLN A 78 4.732 -14.337 -5.663 1.00 53.50 C ATOM 1283 CG GLN A 78 5.725 -14.540 -6.819 1.00 42.12 C ATOM 1284 CD GLN A 78 6.087 -16.006 -7.019 1.00 0.22 C ATOM 1285 OE1 GLN A 78 7.059 -16.502 -6.449 1.00 1.24 O ATOM 1286 NE2 GLN A 78 5.283 -16.715 -7.793 1.00 62.11 N ATOM 0 H GLN A 78 4.115 -12.223 -3.340 1.00 23.44 H new ATOM 0 HA GLN A 78 5.316 -12.304 -5.247 1.00 41.24 H new ATOM 0 HB2 GLN A 78 5.144 -14.803 -4.768 1.00 53.50 H new ATOM 0 HB3 GLN A 78 3.810 -14.867 -5.903 1.00 53.50 H new ATOM 0 HG2 GLN A 78 5.294 -14.146 -7.739 1.00 42.12 H new ATOM 0 HG3 GLN A 78 6.631 -13.968 -6.621 1.00 42.12 H new ATOM 0 HE21 GLN A 78 4.488 -16.267 -8.248 1.00 62.11 H new ATOM 0 HE22 GLN A 78 5.458 -17.710 -7.935 1.00 62.11 H new ATOM 1295 N ALA A 79 2.553 -11.388 -6.040 1.00 5.11 N ATOM 1296 CA ALA A 79 1.521 -10.809 -6.911 1.00 43.44 C ATOM 1297 C ALA A 79 1.815 -9.328 -7.245 1.00 24.52 C ATOM 1298 O ALA A 79 0.889 -8.524 -7.347 1.00 33.54 O ATOM 1299 CB ALA A 79 0.142 -11.002 -6.258 1.00 44.30 C ATOM 0 H ALA A 79 2.412 -11.163 -5.055 1.00 5.11 H new ATOM 0 HA ALA A 79 1.526 -11.332 -7.867 1.00 43.44 H new ATOM 0 HB1 ALA A 79 -0.628 -10.574 -6.900 1.00 44.30 H new ATOM 0 HB2 ALA A 79 -0.050 -12.066 -6.121 1.00 44.30 H new ATOM 0 HB3 ALA A 79 0.125 -10.503 -5.289 1.00 44.30 H new ATOM 1305 N LEU A 80 3.117 -8.967 -7.337 1.00 5.13 N ATOM 1306 CA LEU A 80 3.566 -7.609 -7.745 1.00 14.02 C ATOM 1307 C LEU A 80 2.897 -7.166 -9.082 1.00 51.20 C ATOM 1308 O LEU A 80 3.211 -7.699 -10.153 1.00 22.33 O ATOM 1309 CB LEU A 80 5.118 -7.569 -7.881 1.00 55.02 C ATOM 1310 CG LEU A 80 5.936 -7.953 -6.607 1.00 71.20 C ATOM 1311 CD1 LEU A 80 7.457 -7.805 -6.847 1.00 1.22 C ATOM 1312 CD2 LEU A 80 5.473 -7.140 -5.382 1.00 10.21 C ATOM 0 H LEU A 80 3.886 -9.605 -7.132 1.00 5.13 H new ATOM 0 HA LEU A 80 3.259 -6.909 -6.968 1.00 14.02 H new ATOM 0 HB2 LEU A 80 5.408 -8.241 -8.689 1.00 55.02 H new ATOM 0 HB3 LEU A 80 5.409 -6.563 -8.184 1.00 55.02 H new ATOM 0 HG LEU A 80 5.743 -9.004 -6.394 1.00 71.20 H new ATOM 0 HD11 LEU A 80 7.997 -8.080 -5.941 1.00 1.22 H new ATOM 0 HD12 LEU A 80 7.762 -8.459 -7.664 1.00 1.22 H new ATOM 0 HD13 LEU A 80 7.686 -6.771 -7.106 1.00 1.22 H new ATOM 0 HD21 LEU A 80 6.060 -7.429 -4.510 1.00 10.21 H new ATOM 0 HD22 LEU A 80 5.612 -6.077 -5.577 1.00 10.21 H new ATOM 0 HD23 LEU A 80 4.418 -7.339 -5.191 1.00 10.21 H new ATOM 1324 N GLY A 81 1.958 -6.209 -8.985 1.00 72.34 N ATOM 1325 CA GLY A 81 1.163 -5.741 -10.136 1.00 21.14 C ATOM 1326 C GLY A 81 -0.342 -5.819 -9.875 1.00 21.31 C ATOM 1327 O GLY A 81 -1.136 -5.235 -10.625 1.00 51.42 O ATOM 0 H GLY A 81 1.728 -5.739 -8.110 1.00 72.34 H new ATOM 0 HA2 GLY A 81 1.436 -4.712 -10.368 1.00 21.14 H new ATOM 0 HA3 GLY A 81 1.409 -6.341 -11.012 1.00 21.14 H new ATOM 1331 N ASP A 82 -0.728 -6.559 -8.810 1.00 1.31 N ATOM 1332 CA ASP A 82 -2.136 -6.709 -8.380 1.00 60.03 C ATOM 1333 C ASP A 82 -2.604 -5.443 -7.621 1.00 32.23 C ATOM 1334 O ASP A 82 -1.800 -4.546 -7.353 1.00 12.41 O ATOM 1335 CB ASP A 82 -2.290 -7.998 -7.512 1.00 71.13 C ATOM 1336 CG ASP A 82 -3.759 -8.405 -7.275 1.00 32.04 C ATOM 1337 OD1 ASP A 82 -4.388 -8.981 -8.187 1.00 64.11 O ATOM 1338 OD2 ASP A 82 -4.310 -8.126 -6.195 1.00 70.44 O ATOM 0 H ASP A 82 -0.069 -7.070 -8.223 1.00 1.31 H new ATOM 0 HA ASP A 82 -2.775 -6.817 -9.256 1.00 60.03 H new ATOM 0 HB2 ASP A 82 -1.767 -8.820 -8.000 1.00 71.13 H new ATOM 0 HB3 ASP A 82 -1.805 -7.839 -6.549 1.00 71.13 H new ATOM 1343 N TYR A 83 -3.905 -5.359 -7.292 1.00 32.13 N ATOM 1344 CA TYR A 83 -4.516 -4.151 -6.724 1.00 34.12 C ATOM 1345 C TYR A 83 -4.867 -4.345 -5.236 1.00 1.44 C ATOM 1346 O TYR A 83 -5.540 -5.311 -4.863 1.00 15.11 O ATOM 1347 CB TYR A 83 -5.784 -3.773 -7.538 1.00 71.12 C ATOM 1348 CG TYR A 83 -5.501 -3.353 -8.995 1.00 24.21 C ATOM 1349 CD1 TYR A 83 -4.984 -4.260 -9.927 1.00 32.20 C ATOM 1350 CD2 TYR A 83 -5.753 -2.055 -9.440 1.00 52.33 C ATOM 1351 CE1 TYR A 83 -4.719 -3.889 -11.231 1.00 33.11 C ATOM 1352 CE2 TYR A 83 -5.494 -1.686 -10.748 1.00 41.24 C ATOM 1353 CZ TYR A 83 -4.981 -2.605 -11.637 1.00 41.32 C ATOM 1354 OH TYR A 83 -4.711 -2.233 -12.937 1.00 41.55 O ATOM 0 H TYR A 83 -4.561 -6.130 -7.414 1.00 32.13 H new ATOM 0 HA TYR A 83 -3.793 -3.338 -6.787 1.00 34.12 H new ATOM 0 HB2 TYR A 83 -6.465 -4.624 -7.543 1.00 71.12 H new ATOM 0 HB3 TYR A 83 -6.298 -2.957 -7.030 1.00 71.12 H new ATOM 0 HD1 TYR A 83 -4.787 -5.276 -9.619 1.00 32.20 H new ATOM 0 HD2 TYR A 83 -6.157 -1.327 -8.752 1.00 52.33 H new ATOM 0 HE1 TYR A 83 -4.308 -4.606 -11.927 1.00 33.11 H new ATOM 0 HE2 TYR A 83 -5.694 -0.676 -11.073 1.00 41.24 H new ATOM 0 HH TYR A 83 -4.954 -1.292 -13.065 1.00 41.55 H new ATOM 1364 N VAL A 84 -4.436 -3.376 -4.408 1.00 25.10 N ATOM 1365 CA VAL A 84 -4.759 -3.299 -2.968 1.00 13.24 C ATOM 1366 C VAL A 84 -5.933 -2.321 -2.768 1.00 22.42 C ATOM 1367 O VAL A 84 -6.297 -1.587 -3.698 1.00 33.54 O ATOM 1368 CB VAL A 84 -3.526 -2.780 -2.122 1.00 61.43 C ATOM 1369 CG1 VAL A 84 -2.261 -3.626 -2.370 1.00 54.43 C ATOM 1370 CG2 VAL A 84 -3.238 -1.280 -2.377 1.00 21.42 C ATOM 0 H VAL A 84 -3.842 -2.610 -4.725 1.00 25.10 H new ATOM 0 HA VAL A 84 -5.018 -4.301 -2.627 1.00 13.24 H new ATOM 0 HB VAL A 84 -3.803 -2.892 -1.074 1.00 61.43 H new ATOM 0 HG11 VAL A 84 -1.439 -3.236 -1.770 1.00 54.43 H new ATOM 0 HG12 VAL A 84 -2.455 -4.661 -2.090 1.00 54.43 H new ATOM 0 HG13 VAL A 84 -1.994 -3.580 -3.426 1.00 54.43 H new ATOM 0 HG21 VAL A 84 -2.384 -0.966 -1.776 1.00 21.42 H new ATOM 0 HG22 VAL A 84 -3.015 -1.127 -3.433 1.00 21.42 H new ATOM 0 HG23 VAL A 84 -4.112 -0.690 -2.102 1.00 21.42 H new ATOM 1380 N GLU A 85 -6.515 -2.312 -1.561 1.00 14.04 N ATOM 1381 CA GLU A 85 -7.570 -1.356 -1.191 1.00 5.23 C ATOM 1382 C GLU A 85 -7.093 -0.536 0.015 1.00 2.13 C ATOM 1383 O GLU A 85 -7.047 -1.039 1.131 1.00 22.12 O ATOM 1384 CB GLU A 85 -8.888 -2.112 -0.855 1.00 22.21 C ATOM 1385 CG GLU A 85 -9.302 -3.152 -1.921 1.00 1.25 C ATOM 1386 CD GLU A 85 -10.715 -3.704 -1.724 1.00 3.54 C ATOM 1387 OE1 GLU A 85 -10.956 -4.404 -0.721 1.00 45.11 O ATOM 1388 OE2 GLU A 85 -11.603 -3.411 -2.557 1.00 2.11 O ATOM 0 H GLU A 85 -6.270 -2.964 -0.816 1.00 14.04 H new ATOM 0 HA GLU A 85 -7.772 -0.686 -2.027 1.00 5.23 H new ATOM 0 HB2 GLU A 85 -8.772 -2.616 0.104 1.00 22.21 H new ATOM 0 HB3 GLU A 85 -9.692 -1.386 -0.738 1.00 22.21 H new ATOM 0 HG2 GLU A 85 -9.234 -2.694 -2.908 1.00 1.25 H new ATOM 0 HG3 GLU A 85 -8.592 -3.979 -1.904 1.00 1.25 H new ATOM 1395 N ILE A 86 -6.751 0.733 -0.230 1.00 64.40 N ATOM 1396 CA ILE A 86 -6.336 1.665 0.815 1.00 51.32 C ATOM 1397 C ILE A 86 -7.583 2.367 1.360 1.00 2.44 C ATOM 1398 O ILE A 86 -8.046 3.376 0.817 1.00 24.15 O ATOM 1399 CB ILE A 86 -5.293 2.701 0.246 1.00 64.24 C ATOM 1400 CG1 ILE A 86 -4.077 1.930 -0.365 1.00 31.33 C ATOM 1401 CG2 ILE A 86 -4.852 3.715 1.331 1.00 62.25 C ATOM 1402 CD1 ILE A 86 -2.996 2.791 -0.971 1.00 45.43 C ATOM 0 H ILE A 86 -6.755 1.141 -1.165 1.00 64.40 H new ATOM 0 HA ILE A 86 -5.844 1.128 1.626 1.00 51.32 H new ATOM 0 HB ILE A 86 -5.765 3.285 -0.544 1.00 64.24 H new ATOM 0 HG12 ILE A 86 -3.631 1.314 0.416 1.00 31.33 H new ATOM 0 HG13 ILE A 86 -4.449 1.251 -1.133 1.00 31.33 H new ATOM 0 HG21 ILE A 86 -4.133 4.414 0.905 1.00 62.25 H new ATOM 0 HG22 ILE A 86 -5.722 4.264 1.691 1.00 62.25 H new ATOM 0 HG23 ILE A 86 -4.390 3.181 2.162 1.00 62.25 H new ATOM 0 HD11 ILE A 86 -2.202 2.156 -1.364 1.00 45.43 H new ATOM 0 HD12 ILE A 86 -3.417 3.388 -1.780 1.00 45.43 H new ATOM 0 HD13 ILE A 86 -2.586 3.452 -0.207 1.00 45.43 H new ATOM 1414 N VAL A 87 -8.142 1.783 2.418 1.00 61.31 N ATOM 1415 CA VAL A 87 -9.328 2.309 3.079 1.00 24.23 C ATOM 1416 C VAL A 87 -8.918 3.494 3.965 1.00 72.33 C ATOM 1417 O VAL A 87 -7.992 3.375 4.793 1.00 75.23 O ATOM 1418 CB VAL A 87 -10.053 1.198 3.934 1.00 33.33 C ATOM 1419 CG1 VAL A 87 -11.330 1.752 4.619 1.00 52.43 C ATOM 1420 CG2 VAL A 87 -10.366 -0.051 3.065 1.00 43.41 C ATOM 0 H VAL A 87 -7.781 0.928 2.841 1.00 61.31 H new ATOM 0 HA VAL A 87 -10.037 2.643 2.321 1.00 24.23 H new ATOM 0 HB VAL A 87 -9.373 0.889 4.728 1.00 33.33 H new ATOM 0 HG11 VAL A 87 -11.804 0.960 5.199 1.00 52.43 H new ATOM 0 HG12 VAL A 87 -11.060 2.575 5.281 1.00 52.43 H new ATOM 0 HG13 VAL A 87 -12.024 2.110 3.859 1.00 52.43 H new ATOM 0 HG21 VAL A 87 -10.866 -0.803 3.676 1.00 43.41 H new ATOM 0 HG22 VAL A 87 -11.016 0.235 2.238 1.00 43.41 H new ATOM 0 HG23 VAL A 87 -9.437 -0.462 2.671 1.00 43.41 H new ATOM 1430 N LEU A 88 -9.571 4.649 3.733 1.00 64.34 N ATOM 1431 CA LEU A 88 -9.429 5.838 4.574 1.00 63.34 C ATOM 1432 C LEU A 88 -9.945 5.456 5.966 1.00 52.34 C ATOM 1433 O LEU A 88 -11.162 5.395 6.191 1.00 4.02 O ATOM 1434 CB LEU A 88 -10.221 7.045 3.967 1.00 5.32 C ATOM 1435 CG LEU A 88 -9.762 8.505 4.333 1.00 53.43 C ATOM 1436 CD1 LEU A 88 -9.726 8.786 5.857 1.00 43.40 C ATOM 1437 CD2 LEU A 88 -8.416 8.831 3.659 1.00 72.41 C ATOM 0 H LEU A 88 -10.213 4.777 2.951 1.00 64.34 H new ATOM 0 HA LEU A 88 -8.389 6.160 4.634 1.00 63.34 H new ATOM 0 HB2 LEU A 88 -10.189 6.950 2.882 1.00 5.32 H new ATOM 0 HB3 LEU A 88 -11.264 6.941 4.266 1.00 5.32 H new ATOM 0 HG LEU A 88 -10.524 9.178 3.939 1.00 53.43 H new ATOM 0 HD11 LEU A 88 -9.400 9.812 6.030 1.00 43.40 H new ATOM 0 HD12 LEU A 88 -10.722 8.646 6.276 1.00 43.40 H new ATOM 0 HD13 LEU A 88 -9.030 8.098 6.337 1.00 43.40 H new ATOM 0 HD21 LEU A 88 -8.113 9.844 3.923 1.00 72.41 H new ATOM 0 HD22 LEU A 88 -7.658 8.126 4.000 1.00 72.41 H new ATOM 0 HD23 LEU A 88 -8.523 8.754 2.577 1.00 72.41 H new