USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl -153:sc= -0.063 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl -167:sc= -3.67! (180deg=-3.34!) USER MOD Set 1.3: A 90 MET CE :methyl -107:sc= -3.6! (180deg=-8.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 43:sc= 0.0293 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.081 USER MOD Single : A 11 LYS NZ :NH3+ -124:sc= -0.167 (180deg=-1.25) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 54:sc= 0.527 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.0427 K(o=-0.043,f=-1.3!) USER MOD Single : A 28 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.17) USER MOD Single : A 30 TYR OH : rot 150:sc= -2.85! USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00425) USER MOD Single : A 35 THR OG1 : rot 100:sc= -1.48 USER MOD Single : A 36 GLN : amide:sc= -2.36 X(o=-2.4,f=-2) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.85 K(o=-2.8,f=-5.5!) USER MOD Single : A 46 MET CE :methyl 154:sc= -0.467 (180deg=-2.25!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 48:sc= 0.453 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 119:sc= 1.2 USER MOD Single : A 71 MET CE :methyl -112:sc= -6.01 (180deg=-13.1!) USER MOD Single : A 76 THR OG1 : rot -53:sc= 1.11 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.8) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.493 X(o=-0.49,f=-0.37) USER MOD Single : A 108 SER OG : rot 180:sc= 0.00393 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 112:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.497 -0.074 1.799 1.00 2.12 N ATOM 2 CA MET A 1 3.704 0.517 1.234 1.00 55.40 C ATOM 3 C MET A 1 4.420 -0.477 0.325 1.00 43.44 C ATOM 4 O MET A 1 4.633 -1.632 0.697 1.00 21.44 O ATOM 5 CB MET A 1 4.644 0.974 2.350 1.00 1.43 C ATOM 6 CG MET A 1 4.397 2.403 2.805 1.00 14.10 C ATOM 7 SD MET A 1 5.906 3.234 3.337 1.00 63.13 S ATOM 8 CE MET A 1 5.909 4.659 2.251 1.00 63.32 C ATOM 0 H1 MET A 1 2.026 0.620 2.414 1.00 2.12 H new ATOM 0 H2 MET A 1 1.853 -0.349 1.030 1.00 2.12 H new ATOM 0 H3 MET A 1 2.750 -0.915 2.356 1.00 2.12 H new ATOM 0 HA MET A 1 3.412 1.382 0.639 1.00 55.40 H new ATOM 0 HB2 MET A 1 4.533 0.305 3.204 1.00 1.43 H new ATOM 0 HB3 MET A 1 5.674 0.884 2.006 1.00 1.43 H new ATOM 0 HG2 MET A 1 3.945 2.967 1.989 1.00 14.10 H new ATOM 0 HG3 MET A 1 3.680 2.400 3.626 1.00 14.10 H new ATOM 0 HE1 MET A 1 6.785 5.273 2.459 1.00 63.32 H new ATOM 0 HE2 MET A 1 5.938 4.326 1.214 1.00 63.32 H new ATOM 0 HE3 MET A 1 5.006 5.246 2.419 1.00 63.32 H new ATOM 18 N SER A 2 4.790 -0.022 -0.868 1.00 54.23 N ATOM 19 CA SER A 2 5.479 -0.874 -1.831 1.00 32.41 C ATOM 20 C SER A 2 6.991 -0.693 -1.732 1.00 10.23 C ATOM 21 O SER A 2 7.497 0.429 -1.768 1.00 4.44 O ATOM 22 CB SER A 2 5.008 -0.557 -3.251 1.00 33.45 C ATOM 23 OG SER A 2 5.006 0.841 -3.488 1.00 15.20 O ATOM 0 H SER A 2 4.624 0.931 -1.191 1.00 54.23 H new ATOM 0 HA SER A 2 5.239 -1.912 -1.599 1.00 32.41 H new ATOM 0 HB2 SER A 2 5.660 -1.050 -3.972 1.00 33.45 H new ATOM 0 HB3 SER A 2 4.005 -0.956 -3.402 1.00 33.45 H new ATOM 0 HG SER A 2 5.819 1.238 -3.112 1.00 15.20 H new ATOM 29 N LEU A 3 7.706 -1.805 -1.606 1.00 73.31 N ATOM 30 CA LEU A 3 9.160 -1.772 -1.503 1.00 75.02 C ATOM 31 C LEU A 3 9.805 -2.582 -2.622 1.00 14.53 C ATOM 32 O LEU A 3 9.218 -3.537 -3.129 1.00 42.22 O ATOM 33 CB LEU A 3 9.607 -2.313 -0.143 1.00 63.32 C ATOM 34 CG LEU A 3 8.776 -3.462 0.427 1.00 12.11 C ATOM 35 CD1 LEU A 3 7.407 -2.964 0.869 1.00 30.40 C ATOM 36 CD2 LEU A 3 8.633 -4.578 -0.598 1.00 14.33 C ATOM 0 H LEU A 3 7.302 -2.741 -1.573 1.00 73.31 H new ATOM 0 HA LEU A 3 9.482 -0.735 -1.599 1.00 75.02 H new ATOM 0 HB2 LEU A 3 10.641 -2.647 -0.229 1.00 63.32 H new ATOM 0 HB3 LEU A 3 9.596 -1.492 0.574 1.00 63.32 H new ATOM 0 HG LEU A 3 9.294 -3.861 1.299 1.00 12.11 H new ATOM 0 HD11 LEU A 3 6.830 -3.796 1.272 1.00 30.40 H new ATOM 0 HD12 LEU A 3 7.528 -2.201 1.638 1.00 30.40 H new ATOM 0 HD13 LEU A 3 6.881 -2.538 0.014 1.00 30.40 H new ATOM 0 HD21 LEU A 3 8.038 -5.387 -0.174 1.00 14.33 H new ATOM 0 HD22 LEU A 3 8.138 -4.192 -1.489 1.00 14.33 H new ATOM 0 HD23 LEU A 3 9.620 -4.955 -0.866 1.00 14.33 H new ATOM 48 N LYS A 4 11.019 -2.195 -3.001 1.00 74.23 N ATOM 49 CA LYS A 4 11.747 -2.888 -4.058 1.00 53.11 C ATOM 50 C LYS A 4 11.710 -4.398 -3.846 1.00 23.13 C ATOM 51 O LYS A 4 11.520 -5.163 -4.792 1.00 33.14 O ATOM 52 CB LYS A 4 13.198 -2.404 -4.107 1.00 4.34 C ATOM 53 CG LYS A 4 13.335 -0.892 -4.154 1.00 14.11 C ATOM 54 CD LYS A 4 13.971 -0.350 -2.884 1.00 62.11 C ATOM 55 CE LYS A 4 13.267 0.909 -2.403 1.00 4.50 C ATOM 56 NZ LYS A 4 14.208 2.057 -2.277 1.00 25.42 N1+ ATOM 0 H LYS A 4 11.519 -1.406 -2.592 1.00 74.23 H new ATOM 0 HA LYS A 4 11.262 -2.661 -5.007 1.00 53.11 H new ATOM 0 HB2 LYS A 4 13.727 -2.781 -3.232 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.685 -2.832 -4.983 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.940 -0.607 -5.015 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.352 -0.441 -4.291 1.00 14.11 H new ATOM 0 HD2 LYS A 4 13.933 -1.110 -2.104 1.00 62.11 H new ATOM 0 HD3 LYS A 4 15.023 -0.133 -3.067 1.00 62.11 H new ATOM 0 HE2 LYS A 4 12.470 1.168 -3.100 1.00 4.50 H new ATOM 0 HE3 LYS A 4 12.798 0.717 -1.438 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 13.690 2.896 -1.947 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 14.955 1.820 -1.593 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 14.637 2.257 -3.203 1.00 25.42 H new ATOM 70 N SER A 5 11.891 -4.820 -2.599 1.00 45.41 N ATOM 71 CA SER A 5 11.879 -6.239 -2.263 1.00 45.22 C ATOM 72 C SER A 5 10.715 -6.950 -2.945 1.00 54.53 C ATOM 73 O SER A 5 10.786 -8.144 -3.236 1.00 44.30 O ATOM 74 CB SER A 5 11.789 -6.425 -0.747 1.00 53.55 C ATOM 75 OG SER A 5 12.443 -5.371 -0.064 1.00 22.21 O ATOM 0 H SER A 5 12.048 -4.200 -1.805 1.00 45.41 H new ATOM 0 HA SER A 5 12.810 -6.679 -2.621 1.00 45.22 H new ATOM 0 HB2 SER A 5 10.743 -6.465 -0.444 1.00 53.55 H new ATOM 0 HB3 SER A 5 12.238 -7.378 -0.467 1.00 53.55 H new ATOM 0 HG SER A 5 12.370 -5.513 0.903 1.00 22.21 H new ATOM 81 N ASP A 6 9.643 -6.206 -3.199 1.00 52.44 N ATOM 82 CA ASP A 6 8.462 -6.764 -3.848 1.00 71.01 C ATOM 83 C ASP A 6 8.832 -7.438 -5.165 1.00 21.35 C ATOM 84 O ASP A 6 8.354 -8.529 -5.470 1.00 22.51 O ATOM 85 CB ASP A 6 7.424 -5.667 -4.096 1.00 22.02 C ATOM 86 CG ASP A 6 6.037 -6.227 -4.341 1.00 15.21 C ATOM 87 OD1 ASP A 6 5.921 -7.452 -4.553 1.00 43.34 O ATOM 88 OD2 ASP A 6 5.068 -5.440 -4.320 1.00 45.13 O1- ATOM 0 H ASP A 6 9.568 -5.216 -2.965 1.00 52.44 H new ATOM 0 HA ASP A 6 8.034 -7.515 -3.184 1.00 71.01 H new ATOM 0 HB2 ASP A 6 7.396 -4.997 -3.237 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.729 -5.070 -4.956 1.00 22.02 H new ATOM 93 N GLU A 7 9.688 -6.779 -5.941 1.00 34.23 N ATOM 94 CA GLU A 7 10.120 -7.314 -7.227 1.00 34.02 C ATOM 95 C GLU A 7 10.705 -8.715 -7.064 1.00 65.44 C ATOM 96 O GLU A 7 10.511 -9.583 -7.914 1.00 4.31 O ATOM 97 CB GLU A 7 11.157 -6.388 -7.867 1.00 60.23 C ATOM 98 CG GLU A 7 11.291 -6.571 -9.368 1.00 53.31 C ATOM 99 CD GLU A 7 10.360 -5.665 -10.152 1.00 52.50 C ATOM 100 OE1 GLU A 7 10.447 -4.432 -9.973 1.00 42.03 O ATOM 101 OE2 GLU A 7 9.548 -6.188 -10.942 1.00 23.23 O1- ATOM 0 H GLU A 7 10.095 -5.875 -5.702 1.00 34.23 H new ATOM 0 HA GLU A 7 9.248 -7.376 -7.878 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.886 -5.353 -7.658 1.00 60.23 H new ATOM 0 HB3 GLU A 7 12.126 -6.564 -7.400 1.00 60.23 H new ATOM 0 HG2 GLU A 7 12.321 -6.371 -9.664 1.00 53.31 H new ATOM 0 HG3 GLU A 7 11.082 -7.610 -9.624 1.00 53.31 H new ATOM 108 N VAL A 8 11.422 -8.926 -5.964 1.00 74.30 N ATOM 109 CA VAL A 8 12.035 -10.220 -5.688 1.00 35.34 C ATOM 110 C VAL A 8 11.002 -11.341 -5.747 1.00 41.31 C ATOM 111 O VAL A 8 11.110 -12.255 -6.563 1.00 60.20 O ATOM 112 CB VAL A 8 12.715 -10.236 -4.307 1.00 62.21 C ATOM 113 CG1 VAL A 8 13.022 -11.663 -3.879 1.00 15.23 C ATOM 114 CG2 VAL A 8 13.981 -9.393 -4.327 1.00 74.14 C ATOM 0 H VAL A 8 11.592 -8.218 -5.250 1.00 74.30 H new ATOM 0 HA VAL A 8 12.789 -10.384 -6.458 1.00 35.34 H new ATOM 0 HB VAL A 8 12.029 -9.803 -3.579 1.00 62.21 H new ATOM 0 HG11 VAL A 8 13.502 -11.654 -2.901 1.00 15.23 H new ATOM 0 HG12 VAL A 8 12.095 -12.233 -3.823 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.689 -12.126 -4.606 1.00 15.23 H new ATOM 0 HG21 VAL A 8 14.449 -9.416 -3.343 1.00 74.14 H new ATOM 0 HG22 VAL A 8 14.673 -9.794 -5.067 1.00 74.14 H new ATOM 0 HG23 VAL A 8 13.729 -8.364 -4.586 1.00 74.14 H new ATOM 124 N PHE A 9 10.002 -11.262 -4.876 1.00 5.40 N ATOM 125 CA PHE A 9 8.950 -12.269 -4.828 1.00 4.42 C ATOM 126 C PHE A 9 8.386 -12.534 -6.221 1.00 14.12 C ATOM 127 O PHE A 9 8.161 -13.683 -6.603 1.00 72.03 O ATOM 128 CB PHE A 9 7.828 -11.822 -3.888 1.00 14.30 C ATOM 129 CG PHE A 9 8.060 -12.202 -2.453 1.00 1.13 C ATOM 130 CD1 PHE A 9 9.320 -12.085 -1.887 1.00 71.40 C ATOM 131 CD2 PHE A 9 7.020 -12.677 -1.672 1.00 64.03 C ATOM 132 CE1 PHE A 9 9.536 -12.434 -0.568 1.00 70.23 C ATOM 133 CE2 PHE A 9 7.230 -13.029 -0.351 1.00 45.45 C ATOM 134 CZ PHE A 9 8.490 -12.906 0.202 1.00 3.11 C ATOM 0 H PHE A 9 9.898 -10.511 -4.194 1.00 5.40 H new ATOM 0 HA PHE A 9 9.385 -13.194 -4.449 1.00 4.42 H new ATOM 0 HB2 PHE A 9 7.718 -10.740 -3.956 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.888 -12.259 -4.224 1.00 14.30 H new ATOM 0 HD1 PHE A 9 10.142 -11.717 -2.484 1.00 71.40 H new ATOM 0 HD2 PHE A 9 6.033 -12.774 -2.099 1.00 64.03 H new ATOM 0 HE1 PHE A 9 10.522 -12.338 -0.139 1.00 70.23 H new ATOM 0 HE2 PHE A 9 6.410 -13.399 0.247 1.00 45.45 H new ATOM 0 HZ PHE A 9 8.657 -13.178 1.234 1.00 3.11 H new ATOM 144 N ALA A 10 8.160 -11.464 -6.974 1.00 54.15 N ATOM 145 CA ALA A 10 7.624 -11.579 -8.325 1.00 71.40 C ATOM 146 C ALA A 10 8.559 -12.386 -9.219 1.00 23.42 C ATOM 147 O ALA A 10 8.121 -13.268 -9.958 1.00 32.34 O ATOM 148 CB ALA A 10 7.385 -10.198 -8.918 1.00 11.12 C ATOM 0 H ALA A 10 8.340 -10.506 -6.672 1.00 54.15 H new ATOM 0 HA ALA A 10 6.672 -12.107 -8.268 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.985 -10.299 -9.927 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.672 -9.654 -8.298 1.00 11.12 H new ATOM 0 HB3 ALA A 10 8.326 -9.650 -8.955 1.00 11.12 H new ATOM 154 N LYS A 11 9.849 -12.078 -9.149 1.00 53.04 N ATOM 155 CA LYS A 11 10.848 -12.775 -9.952 1.00 71.11 C ATOM 156 C LYS A 11 10.762 -14.282 -9.738 1.00 34.23 C ATOM 157 O LYS A 11 10.735 -15.055 -10.697 1.00 35.32 O ATOM 158 CB LYS A 11 12.252 -12.279 -9.599 1.00 75.32 C ATOM 159 CG LYS A 11 12.506 -10.837 -10.001 1.00 51.04 C ATOM 160 CD LYS A 11 13.686 -10.247 -9.248 1.00 31.12 C ATOM 161 CE LYS A 11 13.654 -8.726 -9.265 1.00 2.51 C ATOM 162 NZ LYS A 11 15.009 -8.145 -9.484 1.00 32.05 N1+ ATOM 0 H LYS A 11 10.228 -11.350 -8.544 1.00 53.04 H new ATOM 0 HA LYS A 11 10.647 -12.562 -11.002 1.00 71.11 H new ATOM 0 HB2 LYS A 11 12.405 -12.380 -8.524 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.988 -12.918 -10.087 1.00 75.32 H new ATOM 0 HG2 LYS A 11 12.695 -10.785 -11.073 1.00 51.04 H new ATOM 0 HG3 LYS A 11 11.614 -10.242 -9.806 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.675 -10.601 -8.217 1.00 31.12 H new ATOM 0 HD3 LYS A 11 14.616 -10.597 -9.695 1.00 31.12 H new ATOM 0 HE2 LYS A 11 12.981 -8.386 -10.052 1.00 2.51 H new ATOM 0 HE3 LYS A 11 13.250 -8.361 -8.321 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 15.237 -7.493 -8.706 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 15.714 -8.909 -9.513 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 15.023 -7.626 -10.385 1.00 32.05 H new ATOM 176 N ILE A 12 10.718 -14.695 -8.476 1.00 21.10 N ATOM 177 CA ILE A 12 10.632 -16.110 -8.137 1.00 64.54 C ATOM 178 C ILE A 12 9.456 -16.775 -8.845 1.00 34.03 C ATOM 179 O ILE A 12 9.612 -17.812 -9.489 1.00 74.53 O ATOM 180 CB ILE A 12 10.486 -16.319 -6.619 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.796 -15.973 -5.906 1.00 64.04 C ATOM 182 CG2 ILE A 12 10.076 -17.753 -6.317 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.737 -16.164 -4.407 1.00 2.33 C ATOM 0 H ILE A 12 10.741 -14.069 -7.671 1.00 21.10 H new ATOM 0 HA ILE A 12 11.562 -16.570 -8.471 1.00 64.54 H new ATOM 0 HB ILE A 12 9.706 -15.654 -6.250 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.596 -16.593 -6.312 1.00 64.04 H new ATOM 0 HG13 ILE A 12 12.055 -14.937 -6.122 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.977 -17.884 -5.239 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.121 -17.967 -6.798 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.835 -18.436 -6.697 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.699 -15.900 -3.968 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.960 -15.524 -3.989 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.509 -17.206 -4.182 1.00 2.33 H new ATOM 195 N ALA A 13 8.280 -16.170 -8.723 1.00 52.24 N ATOM 196 CA ALA A 13 7.078 -16.700 -9.354 1.00 63.33 C ATOM 197 C ALA A 13 7.225 -16.735 -10.871 1.00 65.53 C ATOM 198 O ALA A 13 7.013 -17.772 -11.501 1.00 52.01 O ATOM 199 CB ALA A 13 5.865 -15.870 -8.959 1.00 65.33 C ATOM 0 H ALA A 13 8.134 -15.311 -8.192 1.00 52.24 H new ATOM 0 HA ALA A 13 6.935 -17.723 -9.005 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.974 -16.277 -9.437 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.741 -15.899 -7.876 1.00 65.33 H new ATOM 0 HB3 ALA A 13 6.010 -14.838 -9.280 1.00 65.33 H new ATOM 205 N LYS A 14 7.589 -15.598 -11.453 1.00 61.31 N ATOM 206 CA LYS A 14 7.764 -15.498 -12.897 1.00 24.13 C ATOM 207 C LYS A 14 8.753 -16.547 -13.397 1.00 74.23 C ATOM 208 O LYS A 14 8.659 -17.008 -14.535 1.00 64.00 O ATOM 209 CB LYS A 14 8.255 -14.099 -13.276 1.00 55.21 C ATOM 210 CG LYS A 14 7.263 -13.316 -14.119 1.00 43.13 C ATOM 211 CD LYS A 14 6.627 -12.187 -13.325 1.00 15.10 C ATOM 212 CE LYS A 14 5.314 -11.737 -13.950 1.00 0.23 C ATOM 213 NZ LYS A 14 5.488 -10.521 -14.790 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.769 -14.731 -10.946 1.00 61.31 H new ATOM 0 HA LYS A 14 6.798 -15.678 -13.369 1.00 24.13 H new ATOM 0 HB2 LYS A 14 8.468 -13.538 -12.366 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.194 -14.188 -13.823 1.00 55.21 H new ATOM 0 HG2 LYS A 14 7.770 -12.907 -14.993 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.486 -13.987 -14.486 1.00 43.13 H new ATOM 0 HD2 LYS A 14 6.450 -12.516 -12.301 1.00 15.10 H new ATOM 0 HD3 LYS A 14 7.315 -11.343 -13.275 1.00 15.10 H new ATOM 0 HE2 LYS A 14 4.906 -12.544 -14.559 1.00 0.23 H new ATOM 0 HE3 LYS A 14 4.588 -11.534 -13.163 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 4.571 -10.247 -15.198 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 5.853 -9.743 -14.204 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 6.161 -10.722 -15.557 1.00 52.31 H new ATOM 227 N ARG A 15 9.698 -16.920 -12.541 1.00 24.20 N ATOM 228 CA ARG A 15 10.702 -17.916 -12.897 1.00 2.23 C ATOM 229 C ARG A 15 10.089 -19.312 -12.948 1.00 74.55 C ATOM 230 O ARG A 15 10.482 -20.145 -13.767 1.00 13.42 O ATOM 231 CB ARG A 15 11.856 -17.889 -11.893 1.00 52.33 C ATOM 232 CG ARG A 15 13.220 -17.708 -12.537 1.00 60.13 C ATOM 233 CD ARG A 15 13.598 -18.911 -13.389 1.00 64.22 C ATOM 234 NE ARG A 15 13.046 -18.821 -14.738 1.00 31.41 N ATOM 235 CZ ARG A 15 13.446 -17.929 -15.638 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.395 -17.055 -15.333 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 12.896 -17.910 -16.845 1.00 54.20 N ATOM 0 H ARG A 15 9.790 -16.548 -11.596 1.00 24.20 H new ATOM 0 HA ARG A 15 11.086 -17.671 -13.887 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.689 -17.080 -11.182 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.853 -18.819 -11.324 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.216 -16.810 -13.155 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.972 -17.558 -11.763 1.00 60.13 H new ATOM 0 HD2 ARG A 15 14.684 -18.988 -13.446 1.00 64.22 H new ATOM 0 HD3 ARG A 15 13.238 -19.822 -12.910 1.00 64.22 H new ATOM 0 HE ARG A 15 12.313 -19.479 -15.004 1.00 31.41 H new ATOM 0 HH11 ARG A 15 14.820 -17.066 -14.406 1.00 71.10 H new ATOM 0 HH12 ARG A 15 14.700 -16.371 -16.026 1.00 71.10 H new ATOM 0 HH21 ARG A 15 12.165 -18.581 -17.083 1.00 54.20 H new ATOM 0 HH22 ARG A 15 13.204 -17.225 -17.535 1.00 54.20 H new ATOM 251 N LEU A 16 9.126 -19.563 -12.067 1.00 62.42 N ATOM 252 CA LEU A 16 8.460 -20.859 -12.010 1.00 42.54 C ATOM 253 C LEU A 16 7.709 -21.143 -13.308 1.00 3.14 C ATOM 254 O LEU A 16 7.536 -22.297 -13.695 1.00 45.05 O ATOM 255 CB LEU A 16 7.491 -20.905 -10.828 1.00 71.15 C ATOM 256 CG LEU A 16 8.016 -20.339 -9.508 1.00 53.24 C ATOM 257 CD1 LEU A 16 7.146 -20.796 -8.347 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.463 -20.756 -9.287 1.00 22.33 C ATOM 0 H LEU A 16 8.789 -18.886 -11.383 1.00 62.42 H new ATOM 0 HA LEU A 16 9.223 -21.626 -11.877 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.589 -20.358 -11.102 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.197 -21.942 -10.665 1.00 71.15 H new ATOM 0 HG LEU A 16 7.975 -19.251 -9.560 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.535 -20.383 -7.416 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.124 -20.448 -8.499 1.00 44.00 H new ATOM 0 HD13 LEU A 16 7.154 -21.885 -8.293 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.820 -20.344 -8.343 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.528 -21.844 -9.256 1.00 22.33 H new ATOM 0 HD23 LEU A 16 10.079 -20.379 -10.103 1.00 22.33 H new ATOM 270 N GLU A 17 7.269 -20.080 -13.975 1.00 24.21 N ATOM 271 CA GLU A 17 6.539 -20.216 -15.230 1.00 73.03 C ATOM 272 C GLU A 17 7.362 -20.988 -16.257 1.00 53.54 C ATOM 273 O GLU A 17 6.815 -21.585 -17.185 1.00 53.11 O ATOM 274 CB GLU A 17 6.173 -18.838 -15.784 1.00 62.44 C ATOM 275 CG GLU A 17 5.438 -17.957 -14.788 1.00 32.22 C ATOM 276 CD GLU A 17 5.198 -16.555 -15.316 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.037 -16.063 -16.100 1.00 71.21 O1- ATOM 278 OE2 GLU A 17 4.170 -15.951 -14.946 1.00 64.43 O ATOM 0 H GLU A 17 7.405 -19.117 -13.668 1.00 24.21 H new ATOM 0 HA GLU A 17 5.624 -20.774 -15.030 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.083 -18.330 -16.103 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.552 -18.965 -16.671 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.481 -18.416 -14.539 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.014 -17.900 -13.865 1.00 32.22 H new ATOM 285 N SER A 18 8.680 -20.970 -16.085 1.00 60.23 N ATOM 286 CA SER A 18 9.579 -21.664 -16.999 1.00 50.12 C ATOM 287 C SER A 18 9.549 -23.170 -16.754 1.00 44.52 C ATOM 288 O SER A 18 9.836 -23.963 -17.651 1.00 12.43 O ATOM 289 CB SER A 18 11.007 -21.139 -16.840 1.00 53.43 C ATOM 290 OG SER A 18 11.320 -20.197 -17.853 1.00 62.03 O ATOM 0 H SER A 18 9.149 -20.482 -15.321 1.00 60.23 H new ATOM 0 HA SER A 18 9.240 -21.473 -18.017 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.120 -20.675 -15.860 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.710 -21.971 -16.882 1.00 53.43 H new ATOM 0 HG SER A 18 10.643 -19.489 -17.862 1.00 62.03 H new ATOM 296 N ILE A 19 9.199 -23.556 -15.531 1.00 61.30 N ATOM 297 CA ILE A 19 9.130 -24.965 -15.167 1.00 41.24 C ATOM 298 C ILE A 19 8.326 -25.759 -16.191 1.00 31.14 C ATOM 299 O ILE A 19 7.098 -25.674 -16.233 1.00 72.51 O ATOM 300 CB ILE A 19 8.499 -25.156 -13.775 1.00 11.12 C ATOM 301 CG1 ILE A 19 9.295 -24.386 -12.719 1.00 33.03 C ATOM 302 CG2 ILE A 19 8.431 -26.634 -13.422 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.486 -24.033 -11.491 1.00 70.51 C ATOM 0 H ILE A 19 8.959 -22.913 -14.777 1.00 61.30 H new ATOM 0 HA ILE A 19 10.155 -25.336 -15.147 1.00 41.24 H new ATOM 0 HB ILE A 19 7.483 -24.761 -13.796 1.00 11.12 H new ATOM 0 HG12 ILE A 19 10.156 -24.983 -12.418 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.683 -23.470 -13.164 1.00 33.03 H new ATOM 0 HG21 ILE A 19 7.983 -26.752 -12.435 1.00 52.32 H new ATOM 0 HG22 ILE A 19 7.824 -27.157 -14.161 1.00 52.32 H new ATOM 0 HG23 ILE A 19 9.437 -27.053 -13.416 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.114 -23.489 -10.786 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.640 -23.410 -11.780 1.00 70.51 H new ATOM 0 HD13 ILE A 19 8.120 -24.946 -11.021 1.00 70.51 H new ATOM 315 N ASP A 20 9.026 -26.532 -17.013 1.00 31.11 N ATOM 316 CA ASP A 20 8.377 -27.345 -18.036 1.00 60.31 C ATOM 317 C ASP A 20 8.179 -28.776 -17.548 1.00 52.22 C ATOM 318 O ASP A 20 9.003 -29.329 -16.820 1.00 2.52 O ATOM 319 CB ASP A 20 9.205 -27.341 -19.322 1.00 72.22 C ATOM 320 CG ASP A 20 8.482 -26.674 -20.474 1.00 72.21 C ATOM 321 OD1 ASP A 20 7.919 -25.578 -20.269 1.00 1.44 O ATOM 322 OD2 ASP A 20 8.479 -27.247 -21.584 1.00 54.13 O1- ATOM 0 H ASP A 20 10.043 -26.613 -16.992 1.00 31.11 H new ATOM 0 HA ASP A 20 7.398 -26.912 -18.242 1.00 60.31 H new ATOM 0 HB2 ASP A 20 10.148 -26.825 -19.142 1.00 72.22 H new ATOM 0 HB3 ASP A 20 9.450 -28.367 -19.596 1.00 72.22 H new ATOM 327 N PRO A 21 7.059 -29.392 -17.956 1.00 3.01 N ATOM 328 CA PRO A 21 6.726 -30.766 -17.572 1.00 51.32 C ATOM 329 C PRO A 21 7.645 -31.791 -18.229 1.00 31.01 C ATOM 330 O PRO A 21 7.708 -32.944 -17.805 1.00 73.52 O ATOM 331 CB PRO A 21 5.290 -30.937 -18.074 1.00 40.32 C ATOM 332 CG PRO A 21 5.161 -29.961 -19.193 1.00 41.15 C ATOM 333 CD PRO A 21 6.032 -28.792 -18.825 1.00 41.12 C ATOM 0 HA PRO A 21 6.840 -30.928 -16.500 1.00 51.32 H new ATOM 0 HB2 PRO A 21 5.109 -31.956 -18.415 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.567 -30.732 -17.284 1.00 40.32 H new ATOM 0 HG2 PRO A 21 5.481 -30.404 -20.136 1.00 41.15 H new ATOM 0 HG3 PRO A 21 4.124 -29.650 -19.322 1.00 41.15 H new ATOM 0 HD2 PRO A 21 6.473 -28.327 -19.706 1.00 41.12 H new ATOM 0 HD3 PRO A 21 5.467 -28.018 -18.305 1.00 41.12 H new ATOM 341 N ALA A 22 8.356 -31.361 -19.266 1.00 74.25 N ATOM 342 CA ALA A 22 9.273 -32.240 -19.980 1.00 71.25 C ATOM 343 C ALA A 22 10.548 -32.476 -19.175 1.00 24.44 C ATOM 344 O ALA A 22 11.407 -33.262 -19.570 1.00 64.13 O ATOM 345 CB ALA A 22 9.610 -31.657 -21.344 1.00 74.40 C ATOM 0 H ALA A 22 8.314 -30.409 -19.630 1.00 74.25 H new ATOM 0 HA ALA A 22 8.779 -33.201 -20.120 1.00 71.25 H new ATOM 0 HB1 ALA A 22 10.296 -32.325 -21.866 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.696 -31.546 -21.928 1.00 74.40 H new ATOM 0 HB3 ALA A 22 10.080 -30.682 -21.217 1.00 74.40 H new ATOM 351 N ASN A 23 10.661 -31.787 -18.044 1.00 31.42 N ATOM 352 CA ASN A 23 11.832 -31.921 -17.183 1.00 33.21 C ATOM 353 C ASN A 23 11.662 -31.107 -15.905 1.00 71.22 C ATOM 354 O ASN A 23 11.783 -29.882 -15.915 1.00 21.44 O ATOM 355 CB ASN A 23 13.091 -31.467 -17.926 1.00 24.34 C ATOM 356 CG ASN A 23 14.242 -32.441 -17.758 1.00 24.24 C ATOM 357 OD1 ASN A 23 14.815 -32.916 -18.738 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.586 -32.741 -16.511 1.00 44.13 N ATOM 0 H ASN A 23 9.958 -31.132 -17.702 1.00 31.42 H new ATOM 0 HA ASN A 23 11.936 -32.972 -16.913 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.864 -31.356 -18.986 1.00 24.34 H new ATOM 0 HB3 ASN A 23 13.392 -30.486 -17.560 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.354 -33.389 -16.336 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.083 -32.323 -15.728 1.00 44.13 H new ATOM 365 N ARG A 24 11.381 -31.796 -14.803 1.00 31.34 N ATOM 366 CA ARG A 24 11.194 -31.137 -13.516 1.00 3.31 C ATOM 367 C ARG A 24 12.336 -31.475 -12.562 1.00 41.40 C ATOM 368 O ARG A 24 13.223 -32.260 -12.895 1.00 60.52 O ATOM 369 CB ARG A 24 9.858 -31.552 -12.896 1.00 43.24 C ATOM 370 CG ARG A 24 8.681 -31.434 -13.850 1.00 73.04 C ATOM 371 CD ARG A 24 8.183 -30.000 -13.944 1.00 15.52 C ATOM 372 NE ARG A 24 7.787 -29.471 -12.641 1.00 53.32 N ATOM 373 CZ ARG A 24 6.558 -29.578 -12.147 1.00 20.53 C ATOM 374 NH1 ARG A 24 5.611 -30.190 -12.844 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 6.276 -29.072 -10.954 1.00 32.13 N ATOM 0 H ARG A 24 11.278 -32.810 -14.776 1.00 31.34 H new ATOM 0 HA ARG A 24 11.190 -30.060 -13.684 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.932 -32.583 -12.550 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.667 -30.934 -12.019 1.00 43.24 H new ATOM 0 HG2 ARG A 24 8.976 -31.784 -14.839 1.00 73.04 H new ATOM 0 HG3 ARG A 24 7.871 -32.080 -13.512 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.966 -29.371 -14.368 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.334 -29.955 -14.627 1.00 15.52 H new ATOM 0 HE ARG A 24 8.492 -28.993 -12.080 1.00 53.32 H new ATOM 0 HH11 ARG A 24 5.825 -30.580 -13.762 1.00 42.41 H new ATOM 0 HH12 ARG A 24 4.669 -30.271 -12.462 1.00 42.41 H new ATOM 0 HH21 ARG A 24 7.003 -28.600 -10.415 1.00 32.13 H new ATOM 0 HH22 ARG A 24 5.333 -29.154 -10.575 1.00 32.13 H new ATOM 389 N GLN A 25 12.306 -30.876 -11.376 1.00 23.44 N ATOM 390 CA GLN A 25 13.339 -31.112 -10.375 1.00 3.41 C ATOM 391 C GLN A 25 12.739 -31.695 -9.099 1.00 43.32 C ATOM 392 O GLN A 25 12.800 -32.903 -8.868 1.00 3.03 O ATOM 393 CB GLN A 25 14.077 -29.811 -10.056 1.00 73.40 C ATOM 394 CG GLN A 25 15.458 -29.724 -10.688 1.00 65.05 C ATOM 395 CD GLN A 25 15.402 -29.428 -12.174 1.00 54.13 C ATOM 396 OE1 GLN A 25 14.430 -28.858 -12.669 1.00 72.12 O ATOM 397 NE2 GLN A 25 16.448 -29.815 -12.894 1.00 12.31 N ATOM 0 H GLN A 25 11.578 -30.224 -11.085 1.00 23.44 H new ATOM 0 HA GLN A 25 14.047 -31.833 -10.784 1.00 3.41 H new ATOM 0 HB2 GLN A 25 13.476 -28.969 -10.399 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.175 -29.714 -8.975 1.00 73.40 H new ATOM 0 HG2 GLN A 25 16.034 -28.945 -10.188 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.986 -30.664 -10.528 1.00 65.05 H new ATOM 0 HE21 GLN A 25 17.233 -30.285 -12.442 1.00 12.31 H new ATOM 0 HE22 GLN A 25 16.467 -29.643 -13.899 1.00 12.31 H new ATOM 406 N VAL A 26 12.158 -30.828 -8.275 1.00 53.35 N ATOM 407 CA VAL A 26 11.547 -31.257 -7.023 1.00 53.24 C ATOM 408 C VAL A 26 10.267 -30.478 -6.741 1.00 23.30 C ATOM 409 O VAL A 26 10.302 -29.268 -6.518 1.00 23.40 O ATOM 410 CB VAL A 26 12.513 -31.082 -5.837 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.997 -29.643 -5.749 1.00 24.22 C ATOM 412 CG2 VAL A 26 11.844 -31.507 -4.538 1.00 61.33 C ATOM 0 H VAL A 26 12.098 -29.825 -8.452 1.00 53.35 H new ATOM 0 HA VAL A 26 11.309 -32.315 -7.134 1.00 53.24 H new ATOM 0 HB VAL A 26 13.380 -31.722 -6.000 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.679 -29.539 -4.905 1.00 24.22 H new ATOM 0 HG12 VAL A 26 13.517 -29.377 -6.670 1.00 24.22 H new ATOM 0 HG13 VAL A 26 12.143 -28.980 -5.610 1.00 24.22 H new ATOM 0 HG21 VAL A 26 12.541 -31.377 -3.710 1.00 61.33 H new ATOM 0 HG22 VAL A 26 10.959 -30.894 -4.367 1.00 61.33 H new ATOM 0 HG23 VAL A 26 11.552 -32.555 -4.605 1.00 61.33 H new ATOM 422 N GLU A 27 9.137 -31.178 -6.755 1.00 51.22 N ATOM 423 CA GLU A 27 7.846 -30.551 -6.501 1.00 53.14 C ATOM 424 C GLU A 27 7.314 -30.939 -5.124 1.00 20.43 C ATOM 425 O GLU A 27 7.190 -32.122 -4.806 1.00 21.25 O ATOM 426 CB GLU A 27 6.839 -30.951 -7.581 1.00 64.43 C ATOM 427 CG GLU A 27 7.484 -31.352 -8.897 1.00 1.54 C ATOM 428 CD GLU A 27 7.867 -32.818 -8.937 1.00 23.31 C ATOM 429 OE1 GLU A 27 6.956 -33.665 -9.047 1.00 13.03 O ATOM 430 OE2 GLU A 27 9.076 -33.119 -8.857 1.00 0.53 O1- ATOM 0 H GLU A 27 9.090 -32.180 -6.940 1.00 51.22 H new ATOM 0 HA GLU A 27 7.984 -29.470 -6.526 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.236 -31.782 -7.214 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.159 -30.118 -7.758 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.796 -31.138 -9.715 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.373 -30.744 -9.062 1.00 1.54 H new ATOM 437 N HIS A 28 7.001 -29.934 -4.313 1.00 1.34 N ATOM 438 CA HIS A 28 6.482 -30.169 -2.971 1.00 23.23 C ATOM 439 C HIS A 28 5.990 -28.868 -2.342 1.00 12.45 C ATOM 440 O HIS A 28 6.075 -27.802 -2.952 1.00 2.54 O ATOM 441 CB HIS A 28 7.558 -30.801 -2.087 1.00 64.15 C ATOM 442 CG HIS A 28 7.303 -32.241 -1.771 1.00 70.02 C ATOM 443 ND1 HIS A 28 8.125 -33.263 -2.199 1.00 64.13 N ATOM 444 CD2 HIS A 28 6.312 -32.831 -1.061 1.00 51.55 C ATOM 445 CE1 HIS A 28 7.650 -34.418 -1.768 1.00 15.35 C ATOM 446 NE2 HIS A 28 6.550 -34.184 -1.074 1.00 63.45 N ATOM 0 H HIS A 28 7.098 -28.950 -4.562 1.00 1.34 H new ATOM 0 HA HIS A 28 5.639 -30.855 -3.051 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.524 -30.712 -2.585 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.627 -30.240 -1.155 1.00 64.15 H new ATOM 0 HD2 HIS A 28 5.488 -32.331 -0.575 1.00 51.55 H new ATOM 0 HE1 HIS A 28 8.087 -35.389 -1.952 1.00 15.35 H new ATOM 0 HE2 HIS A 28 5.972 -34.892 -0.622 1.00 63.45 H new ATOM 454 N VAL A 29 5.475 -28.964 -1.120 1.00 54.23 N ATOM 455 CA VAL A 29 4.971 -27.795 -0.410 1.00 31.14 C ATOM 456 C VAL A 29 6.039 -27.203 0.502 1.00 41.44 C ATOM 457 O VAL A 29 6.632 -27.907 1.321 1.00 25.11 O ATOM 458 CB VAL A 29 3.728 -28.143 0.432 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.256 -26.927 1.213 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.618 -28.682 -0.456 1.00 5.11 C ATOM 0 H VAL A 29 5.396 -29.839 -0.602 1.00 54.23 H new ATOM 0 HA VAL A 29 4.695 -27.060 -1.166 1.00 31.14 H new ATOM 0 HB VAL A 29 3.999 -28.920 1.146 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.378 -27.191 1.802 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.051 -26.591 1.878 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.000 -26.126 0.519 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.748 -28.923 0.155 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.345 -27.929 -1.195 1.00 5.11 H new ATOM 0 HG23 VAL A 29 2.964 -29.582 -0.965 1.00 5.11 H new ATOM 470 N TYR A 30 6.282 -25.904 0.355 1.00 54.15 N ATOM 471 CA TYR A 30 7.280 -25.217 1.165 1.00 42.42 C ATOM 472 C TYR A 30 6.636 -24.129 2.017 1.00 53.31 C ATOM 473 O TYR A 30 5.450 -23.830 1.872 1.00 71.04 O ATOM 474 CB TYR A 30 8.360 -24.607 0.269 1.00 40.44 C ATOM 475 CG TYR A 30 9.204 -25.634 -0.449 1.00 1.42 C ATOM 476 CD1 TYR A 30 8.669 -26.413 -1.468 1.00 23.33 C ATOM 477 CD2 TYR A 30 10.537 -25.829 -0.108 1.00 63.54 C ATOM 478 CE1 TYR A 30 9.435 -27.354 -2.127 1.00 42.43 C ATOM 479 CE2 TYR A 30 11.312 -26.767 -0.762 1.00 50.54 C ATOM 480 CZ TYR A 30 10.757 -27.527 -1.771 1.00 32.12 C ATOM 481 OH TYR A 30 11.525 -28.463 -2.424 1.00 33.15 O ATOM 0 H TYR A 30 5.801 -25.307 -0.318 1.00 54.15 H new ATOM 0 HA TYR A 30 7.738 -25.949 1.830 1.00 42.42 H new ATOM 0 HB2 TYR A 30 7.885 -23.960 -0.469 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.009 -23.976 0.876 1.00 40.44 H new ATOM 0 HD1 TYR A 30 7.635 -26.280 -1.750 1.00 23.33 H new ATOM 0 HD2 TYR A 30 10.975 -25.237 0.682 1.00 63.54 H new ATOM 0 HE1 TYR A 30 9.002 -27.951 -2.916 1.00 42.43 H new ATOM 0 HE2 TYR A 30 12.347 -26.905 -0.485 1.00 50.54 H new ATOM 0 HH TYR A 30 12.460 -28.170 -2.433 1.00 33.15 H new ATOM 491 N LYS A 31 7.425 -23.540 2.909 1.00 21.53 N ATOM 492 CA LYS A 31 6.935 -22.483 3.785 1.00 33.30 C ATOM 493 C LYS A 31 7.955 -21.355 3.901 1.00 72.40 C ATOM 494 O LYS A 31 9.146 -21.599 4.099 1.00 42.23 O ATOM 495 CB LYS A 31 6.623 -23.047 5.173 1.00 30.01 C ATOM 496 CG LYS A 31 5.862 -22.081 6.066 1.00 12.24 C ATOM 497 CD LYS A 31 6.331 -22.168 7.509 1.00 72.33 C ATOM 498 CE LYS A 31 5.715 -23.362 8.224 1.00 1.42 C ATOM 499 NZ LYS A 31 5.596 -23.128 9.689 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.408 -23.777 3.044 1.00 21.53 H new ATOM 0 HA LYS A 31 6.021 -22.079 3.349 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.040 -23.961 5.062 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.557 -23.322 5.663 1.00 30.01 H new ATOM 0 HG2 LYS A 31 5.996 -21.063 5.700 1.00 12.24 H new ATOM 0 HG3 LYS A 31 4.796 -22.300 6.015 1.00 12.24 H new ATOM 0 HD2 LYS A 31 7.418 -22.248 7.535 1.00 72.33 H new ATOM 0 HD3 LYS A 31 6.066 -21.251 8.035 1.00 72.33 H new ATOM 0 HE2 LYS A 31 4.729 -23.566 7.807 1.00 1.42 H new ATOM 0 HE3 LYS A 31 6.326 -24.247 8.046 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 5.204 -23.976 10.145 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 6.536 -22.925 10.086 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.965 -22.319 9.861 1.00 74.42 H new ATOM 513 N PHE A 32 7.481 -20.120 3.778 1.00 21.34 N ATOM 514 CA PHE A 32 8.352 -18.953 3.869 1.00 31.43 C ATOM 515 C PHE A 32 7.820 -17.955 4.893 1.00 73.13 C ATOM 516 O PHE A 32 6.740 -17.391 4.722 1.00 30.25 O ATOM 517 CB PHE A 32 8.481 -18.279 2.502 1.00 2.44 C ATOM 518 CG PHE A 32 9.880 -18.297 1.954 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.361 -19.411 1.286 1.00 25.20 C ATOM 520 CD2 PHE A 32 10.712 -17.200 2.107 1.00 34.32 C ATOM 521 CE1 PHE A 32 11.648 -19.431 0.781 1.00 15.23 C ATOM 522 CE2 PHE A 32 12.000 -17.214 1.603 1.00 31.04 C ATOM 523 CZ PHE A 32 12.468 -18.332 0.940 1.00 34.24 C ATOM 0 H PHE A 32 6.498 -19.901 3.615 1.00 21.34 H new ATOM 0 HA PHE A 32 9.336 -19.290 4.195 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.816 -18.777 1.796 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.144 -17.246 2.582 1.00 2.44 H new ATOM 0 HD1 PHE A 32 9.724 -20.274 1.158 1.00 25.20 H new ATOM 0 HD2 PHE A 32 10.351 -16.324 2.626 1.00 34.32 H new ATOM 0 HE1 PHE A 32 12.011 -20.306 0.262 1.00 15.23 H new ATOM 0 HE2 PHE A 32 12.639 -16.352 1.728 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.474 -18.346 0.547 1.00 34.24 H new ATOM 533 N ARG A 33 8.586 -17.745 5.958 1.00 2.52 N ATOM 534 CA ARG A 33 8.191 -16.816 7.011 1.00 14.43 C ATOM 535 C ARG A 33 8.807 -15.439 6.781 1.00 75.14 C ATOM 536 O ARG A 33 9.999 -15.321 6.496 1.00 61.42 O ATOM 537 CB ARG A 33 8.615 -17.354 8.379 1.00 2.14 C ATOM 538 CG ARG A 33 7.480 -18.001 9.157 1.00 20.25 C ATOM 539 CD ARG A 33 7.911 -19.321 9.776 1.00 10.22 C ATOM 540 NE ARG A 33 7.563 -19.402 11.192 1.00 11.44 N ATOM 541 CZ ARG A 33 6.350 -19.714 11.633 1.00 10.32 C ATOM 542 NH1 ARG A 33 5.374 -19.974 10.773 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 6.109 -19.767 12.938 1.00 25.32 N ATOM 0 H ARG A 33 9.483 -18.205 6.115 1.00 2.52 H new ATOM 0 HA ARG A 33 7.106 -16.718 6.986 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.413 -18.084 8.242 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.029 -16.537 8.969 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.142 -17.323 9.941 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.632 -18.169 8.493 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.439 -20.144 9.239 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.988 -19.441 9.660 1.00 10.22 H new ATOM 0 HE ARG A 33 8.291 -19.208 11.880 1.00 11.44 H new ATOM 0 HH11 ARG A 33 5.554 -19.935 9.770 1.00 23.32 H new ATOM 0 HH12 ARG A 33 4.443 -20.213 11.115 1.00 23.32 H new ATOM 0 HH21 ARG A 33 6.856 -19.568 13.603 1.00 25.32 H new ATOM 0 HH22 ARG A 33 5.177 -20.007 13.275 1.00 25.32 H new ATOM 557 N ILE A 34 7.987 -14.402 6.907 1.00 62.22 N ATOM 558 CA ILE A 34 8.451 -13.034 6.713 1.00 24.14 C ATOM 559 C ILE A 34 8.357 -12.232 8.007 1.00 22.22 C ATOM 560 O ILE A 34 7.357 -12.302 8.723 1.00 15.22 O ATOM 561 CB ILE A 34 7.642 -12.315 5.617 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.705 -13.102 4.307 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.165 -10.899 5.417 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.112 -13.470 3.889 1.00 0.34 C ATOM 0 H ILE A 34 6.998 -14.483 7.143 1.00 62.22 H new ATOM 0 HA ILE A 34 9.494 -13.096 6.402 1.00 24.14 H new ATOM 0 HB ILE A 34 6.601 -12.256 5.933 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.116 -14.013 4.411 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.242 -12.512 3.516 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.584 -10.403 4.640 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.073 -10.342 6.350 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.213 -10.937 5.118 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.080 -14.026 2.952 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.700 -12.562 3.752 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.571 -14.087 4.661 1.00 0.34 H new ATOM 576 N THR A 35 9.405 -11.470 8.302 1.00 73.35 N ATOM 577 CA THR A 35 9.440 -10.654 9.510 1.00 10.14 C ATOM 578 C THR A 35 9.572 -9.174 9.170 1.00 21.43 C ATOM 579 O THR A 35 10.356 -8.796 8.299 1.00 61.13 O ATOM 580 CB THR A 35 10.605 -11.065 10.431 1.00 42.42 C ATOM 581 OG1 THR A 35 11.848 -10.948 9.730 1.00 61.24 O ATOM 582 CG2 THR A 35 10.428 -12.492 10.924 1.00 21.42 C ATOM 0 H THR A 35 10.241 -11.401 7.721 1.00 73.35 H new ATOM 0 HA THR A 35 8.498 -10.820 10.032 1.00 10.14 H new ATOM 0 HB THR A 35 10.610 -10.398 11.293 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.289 -10.110 9.983 1.00 61.24 H new ATOM 0 HG21 THR A 35 11.263 -12.759 11.572 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.495 -12.571 11.482 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.399 -13.171 10.071 1.00 21.42 H new ATOM 590 N GLN A 36 8.804 -8.342 9.864 1.00 63.41 N ATOM 591 CA GLN A 36 8.837 -6.902 9.635 1.00 14.20 C ATOM 592 C GLN A 36 8.441 -6.140 10.896 1.00 45.14 C ATOM 593 O GLN A 36 7.258 -5.990 11.197 1.00 5.11 O ATOM 594 CB GLN A 36 7.902 -6.527 8.484 1.00 55.11 C ATOM 595 CG GLN A 36 8.087 -7.386 7.244 1.00 62.44 C ATOM 596 CD GLN A 36 7.264 -6.899 6.067 1.00 40.34 C ATOM 597 OE1 GLN A 36 6.560 -5.894 6.162 1.00 43.51 O ATOM 598 NE2 GLN A 36 7.349 -7.611 4.950 1.00 20.34 N ATOM 0 H GLN A 36 8.151 -8.639 10.589 1.00 63.41 H new ATOM 0 HA GLN A 36 9.858 -6.625 9.371 1.00 14.20 H new ATOM 0 HB2 GLN A 36 6.870 -6.612 8.823 1.00 55.11 H new ATOM 0 HB3 GLN A 36 8.066 -5.482 8.220 1.00 55.11 H new ATOM 0 HG2 GLN A 36 9.141 -7.394 6.967 1.00 62.44 H new ATOM 0 HG3 GLN A 36 7.810 -8.415 7.475 1.00 62.44 H new ATOM 0 HE21 GLN A 36 7.946 -8.438 4.916 1.00 20.34 H new ATOM 0 HE22 GLN A 36 6.818 -7.331 4.125 1.00 20.34 H new ATOM 607 N GLY A 37 9.441 -5.662 11.630 1.00 64.45 N ATOM 608 CA GLY A 37 9.177 -4.922 12.851 1.00 34.24 C ATOM 609 C GLY A 37 9.682 -5.642 14.086 1.00 24.32 C ATOM 610 O GLY A 37 9.421 -5.217 15.211 1.00 10.20 O ATOM 0 H GLY A 37 10.429 -5.774 11.401 1.00 64.45 H new ATOM 0 HA2 GLY A 37 9.649 -3.942 12.787 1.00 34.24 H new ATOM 0 HA3 GLY A 37 8.104 -4.754 12.945 1.00 34.24 H new ATOM 614 N GLY A 38 10.409 -6.737 13.876 1.00 74.12 N ATOM 615 CA GLY A 38 10.939 -7.499 14.990 1.00 13.31 C ATOM 616 C GLY A 38 10.263 -8.848 15.144 1.00 0.22 C ATOM 617 O GLY A 38 10.785 -9.740 15.813 1.00 3.34 O ATOM 0 H GLY A 38 10.639 -7.108 12.954 1.00 74.12 H new ATOM 0 HA2 GLY A 38 12.010 -7.647 14.849 1.00 13.31 H new ATOM 0 HA3 GLY A 38 10.815 -6.927 15.909 1.00 13.31 H new ATOM 621 N LYS A 39 9.097 -8.997 14.524 1.00 34.44 N ATOM 622 CA LYS A 39 8.348 -10.246 14.593 1.00 44.41 C ATOM 623 C LYS A 39 7.744 -10.594 13.237 1.00 41.22 C ATOM 624 O LYS A 39 7.608 -9.734 12.367 1.00 21.13 O ATOM 625 CB LYS A 39 7.241 -10.141 15.645 1.00 12.35 C ATOM 626 CG LYS A 39 7.115 -11.375 16.522 1.00 61.01 C ATOM 627 CD LYS A 39 5.775 -12.064 16.328 1.00 62.52 C ATOM 628 CE LYS A 39 5.100 -12.354 17.658 1.00 2.21 C ATOM 629 NZ LYS A 39 4.366 -11.166 18.178 1.00 31.32 N1+ ATOM 0 H LYS A 39 8.650 -8.268 13.968 1.00 34.44 H new ATOM 0 HA LYS A 39 9.038 -11.040 14.877 1.00 44.41 H new ATOM 0 HB2 LYS A 39 7.434 -9.274 16.277 1.00 12.35 H new ATOM 0 HB3 LYS A 39 6.290 -9.964 15.143 1.00 12.35 H new ATOM 0 HG2 LYS A 39 7.920 -12.072 16.289 1.00 61.01 H new ATOM 0 HG3 LYS A 39 7.231 -11.092 17.568 1.00 61.01 H new ATOM 0 HD2 LYS A 39 5.126 -11.435 15.719 1.00 62.52 H new ATOM 0 HD3 LYS A 39 5.920 -12.996 15.781 1.00 62.52 H new ATOM 0 HE2 LYS A 39 4.406 -13.186 17.539 1.00 2.21 H new ATOM 0 HE3 LYS A 39 5.850 -12.665 18.386 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 3.919 -11.404 19.087 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 5.032 -10.379 18.315 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 3.634 -10.884 17.496 1.00 31.32 H new ATOM 643 N VAL A 40 7.383 -11.862 13.063 1.00 13.33 N ATOM 644 CA VAL A 40 6.791 -12.324 11.814 1.00 41.44 C ATOM 645 C VAL A 40 5.578 -11.482 11.435 1.00 63.31 C ATOM 646 O VAL A 40 4.640 -11.339 12.218 1.00 63.13 O ATOM 647 CB VAL A 40 6.368 -13.802 11.905 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.824 -14.286 10.570 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.537 -14.663 12.358 1.00 51.40 C ATOM 0 H VAL A 40 7.491 -12.587 13.772 1.00 13.33 H new ATOM 0 HA VAL A 40 7.556 -12.220 11.045 1.00 41.44 H new ATOM 0 HB VAL A 40 5.573 -13.889 12.646 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.531 -15.332 10.654 1.00 55.31 H new ATOM 0 HG12 VAL A 40 4.957 -13.687 10.292 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.594 -14.186 9.805 1.00 55.31 H new ATOM 0 HG21 VAL A 40 7.221 -15.704 12.417 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.354 -14.572 11.643 1.00 51.40 H new ATOM 0 HG23 VAL A 40 7.875 -14.330 13.339 1.00 51.40 H new ATOM 659 N VAL A 41 5.605 -10.925 10.228 1.00 34.35 N ATOM 660 CA VAL A 41 4.506 -10.097 9.744 1.00 44.34 C ATOM 661 C VAL A 41 3.428 -10.947 9.081 1.00 12.15 C ATOM 662 O VAL A 41 2.238 -10.647 9.179 1.00 4.11 O ATOM 663 CB VAL A 41 5.001 -9.040 8.739 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.560 -9.709 7.493 1.00 40.14 C ATOM 665 CG2 VAL A 41 3.876 -8.080 8.379 1.00 22.42 C ATOM 0 H VAL A 41 6.375 -11.032 9.568 1.00 34.35 H new ATOM 0 HA VAL A 41 4.083 -9.592 10.613 1.00 44.34 H new ATOM 0 HB VAL A 41 5.802 -8.467 9.205 1.00 3.41 H new ATOM 0 HG11 VAL A 41 5.905 -8.947 6.794 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.395 -10.353 7.769 1.00 40.14 H new ATOM 0 HG13 VAL A 41 4.781 -10.308 7.021 1.00 40.14 H new ATOM 0 HG21 VAL A 41 4.243 -7.340 7.668 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.052 -8.636 7.931 1.00 22.42 H new ATOM 0 HG23 VAL A 41 3.526 -7.576 9.280 1.00 22.42 H new ATOM 675 N LYS A 42 3.853 -12.011 8.407 1.00 42.43 N ATOM 676 CA LYS A 42 2.924 -12.907 7.729 1.00 33.55 C ATOM 677 C LYS A 42 3.661 -14.099 7.125 1.00 43.41 C ATOM 678 O LYS A 42 4.823 -13.988 6.735 1.00 1.03 O ATOM 679 CB LYS A 42 2.164 -12.155 6.634 1.00 52.12 C ATOM 680 CG LYS A 42 0.663 -12.378 6.671 1.00 64.32 C ATOM 681 CD LYS A 42 -0.061 -11.194 7.291 1.00 52.31 C ATOM 682 CE LYS A 42 -0.640 -11.545 8.654 1.00 23.22 C ATOM 683 NZ LYS A 42 -2.026 -11.027 8.817 1.00 13.02 N1+ ATOM 0 H LYS A 42 4.834 -12.273 8.316 1.00 42.43 H new ATOM 0 HA LYS A 42 2.212 -13.278 8.467 1.00 33.55 H new ATOM 0 HB2 LYS A 42 2.367 -11.088 6.730 1.00 52.12 H new ATOM 0 HB3 LYS A 42 2.545 -12.465 5.661 1.00 52.12 H new ATOM 0 HG2 LYS A 42 0.293 -12.542 5.659 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.442 -13.280 7.241 1.00 64.32 H new ATOM 0 HD2 LYS A 42 0.629 -10.357 7.393 1.00 52.31 H new ATOM 0 HD3 LYS A 42 -0.862 -10.868 6.627 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.639 -12.628 8.781 1.00 23.22 H new ATOM 0 HE3 LYS A 42 -0.003 -11.132 9.436 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -2.385 -11.287 9.758 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -2.023 -9.991 8.721 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -2.639 -11.441 8.086 1.00 13.02 H new ATOM 697 N ASN A 43 2.977 -15.236 7.050 1.00 34.54 N ATOM 698 CA ASN A 43 3.568 -16.447 6.493 1.00 55.25 C ATOM 699 C ASN A 43 3.391 -16.491 4.978 1.00 40.53 C ATOM 700 O ASN A 43 2.552 -15.782 4.420 1.00 31.40 O ATOM 701 CB ASN A 43 2.935 -17.687 7.127 1.00 53.41 C ATOM 702 CG ASN A 43 2.606 -17.481 8.593 1.00 44.33 C ATOM 703 OD1 ASN A 43 1.692 -16.732 8.937 1.00 24.42 O ATOM 704 ND2 ASN A 43 3.353 -18.148 9.466 1.00 72.11 N ATOM 0 H ASN A 43 2.014 -15.344 7.368 1.00 34.54 H new ATOM 0 HA ASN A 43 4.635 -16.437 6.717 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.025 -17.944 6.586 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.616 -18.532 7.025 1.00 53.41 H new ATOM 0 HD21 ASN A 43 3.179 -18.050 10.466 1.00 72.11 H new ATOM 0 HD22 ASN A 43 4.101 -18.758 9.136 1.00 72.11 H new ATOM 711 N TRP A 44 4.184 -17.329 4.319 1.00 22.12 N ATOM 712 CA TRP A 44 4.113 -17.465 2.868 1.00 23.21 C ATOM 713 C TRP A 44 4.216 -18.929 2.455 1.00 15.33 C ATOM 714 O TRP A 44 4.858 -19.733 3.132 1.00 44.21 O ATOM 715 CB TRP A 44 5.228 -16.655 2.205 1.00 45.14 C ATOM 716 CG TRP A 44 4.735 -15.416 1.521 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.468 -15.266 0.190 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.453 -14.153 2.134 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.037 -13.986 -0.062 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.019 -13.284 1.115 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.525 -13.673 3.444 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.658 -11.963 1.367 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.167 -12.362 3.694 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.737 -11.520 2.660 1.00 1.02 C ATOM 0 H TRP A 44 4.882 -17.924 4.765 1.00 22.12 H new ATOM 0 HA TRP A 44 3.148 -17.080 2.537 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.963 -16.377 2.960 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.741 -17.284 1.477 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.579 -16.040 -0.555 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.773 -13.618 -0.976 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.855 -14.315 4.247 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.328 -11.312 0.571 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.220 -11.980 4.703 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.462 -10.501 2.888 1.00 1.02 H new ATOM 735 N VAL A 45 3.581 -19.271 1.338 1.00 5.25 N ATOM 736 CA VAL A 45 3.602 -20.638 0.834 1.00 60.54 C ATOM 737 C VAL A 45 4.111 -20.686 -0.603 1.00 5.42 C ATOM 738 O VAL A 45 3.793 -19.816 -1.413 1.00 33.13 O ATOM 739 CB VAL A 45 2.204 -21.281 0.893 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.157 -22.537 0.037 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.821 -21.590 2.332 1.00 33.43 C ATOM 0 H VAL A 45 3.045 -18.619 0.765 1.00 5.25 H new ATOM 0 HA VAL A 45 4.279 -21.201 1.476 1.00 60.54 H new ATOM 0 HB VAL A 45 1.479 -20.572 0.493 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.161 -22.977 0.091 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.385 -22.281 -0.998 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.891 -23.254 0.403 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.830 -22.044 2.355 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.547 -22.281 2.761 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.811 -20.667 2.912 1.00 33.43 H new ATOM 751 N MET A 46 4.903 -21.708 -0.911 1.00 62.23 N ATOM 752 CA MET A 46 5.454 -21.870 -2.251 1.00 35.14 C ATOM 753 C MET A 46 4.658 -22.900 -3.046 1.00 72.04 C ATOM 754 O MET A 46 4.825 -24.106 -2.860 1.00 51.41 O ATOM 755 CB MET A 46 6.923 -22.293 -2.173 1.00 33.01 C ATOM 756 CG MET A 46 7.848 -21.431 -3.018 1.00 43.13 C ATOM 757 SD MET A 46 8.627 -20.111 -2.069 1.00 65.24 S ATOM 758 CE MET A 46 10.331 -20.665 -2.052 1.00 25.52 C ATOM 0 H MET A 46 5.177 -22.436 -0.251 1.00 62.23 H new ATOM 0 HA MET A 46 5.386 -20.910 -2.763 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.250 -22.252 -1.134 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.012 -23.331 -2.495 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.621 -22.060 -3.460 1.00 43.13 H new ATOM 0 HG3 MET A 46 7.281 -20.996 -3.841 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.992 -19.806 -1.936 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.481 -21.354 -1.221 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.558 -21.173 -2.989 1.00 25.52 H new ATOM 768 N ASP A 47 3.792 -22.418 -3.931 1.00 71.12 N ATOM 769 CA ASP A 47 2.972 -23.296 -4.754 1.00 32.40 C ATOM 770 C ASP A 47 3.758 -23.806 -5.957 1.00 53.15 C ATOM 771 O ASP A 47 3.625 -23.285 -7.066 1.00 2.25 O ATOM 772 CB ASP A 47 1.714 -22.562 -5.225 1.00 13.44 C ATOM 773 CG ASP A 47 0.442 -23.198 -4.698 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.469 -23.733 -3.571 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.581 -23.160 -5.414 1.00 72.40 O ATOM 0 H ASP A 47 3.641 -21.423 -4.096 1.00 71.12 H new ATOM 0 HA ASP A 47 2.678 -24.152 -4.146 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.759 -21.523 -4.899 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.688 -22.553 -6.315 1.00 13.44 H new ATOM 780 N LEU A 48 4.579 -24.826 -5.733 1.00 3.45 N ATOM 781 CA LEU A 48 5.389 -25.406 -6.799 1.00 34.13 C ATOM 782 C LEU A 48 4.531 -26.248 -7.737 1.00 74.54 C ATOM 783 O LEU A 48 4.960 -26.606 -8.835 1.00 65.54 O ATOM 784 CB LEU A 48 6.509 -26.263 -6.206 1.00 41.41 C ATOM 785 CG LEU A 48 7.772 -25.516 -5.780 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.651 -25.035 -4.342 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.999 -26.402 -5.947 1.00 24.33 C ATOM 0 H LEU A 48 4.702 -25.269 -4.822 1.00 3.45 H new ATOM 0 HA LEU A 48 5.829 -24.590 -7.373 1.00 34.13 H new ATOM 0 HB2 LEU A 48 6.114 -26.792 -5.339 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.788 -27.019 -6.940 1.00 41.41 H new ATOM 0 HG LEU A 48 7.888 -24.644 -6.424 1.00 71.10 H new ATOM 0 HD11 LEU A 48 8.560 -24.506 -4.058 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.797 -24.363 -4.254 1.00 72.14 H new ATOM 0 HD13 LEU A 48 7.509 -25.891 -3.683 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.889 -25.853 -5.639 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.891 -27.294 -5.330 1.00 24.33 H new ATOM 0 HD23 LEU A 48 9.097 -26.694 -6.992 1.00 24.33 H new ATOM 799 N LYS A 49 3.316 -26.562 -7.300 1.00 53.41 N ATOM 800 CA LYS A 49 2.395 -27.359 -8.101 1.00 44.45 C ATOM 801 C LYS A 49 1.678 -26.490 -9.131 1.00 13.33 C ATOM 802 O LYS A 49 1.661 -26.808 -10.319 1.00 1.23 O ATOM 803 CB LYS A 49 1.370 -28.052 -7.200 1.00 43.22 C ATOM 804 CG LYS A 49 1.919 -29.271 -6.480 1.00 30.32 C ATOM 805 CD LYS A 49 1.140 -29.568 -5.211 1.00 53.45 C ATOM 806 CE LYS A 49 1.691 -30.787 -4.489 1.00 64.21 C ATOM 807 NZ LYS A 49 0.635 -31.505 -3.722 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.946 -26.276 -6.394 1.00 53.41 H new ATOM 0 HA LYS A 49 2.974 -28.116 -8.630 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.006 -27.338 -6.462 1.00 43.22 H new ATOM 0 HB3 LYS A 49 0.513 -28.352 -7.803 1.00 43.22 H new ATOM 0 HG2 LYS A 49 1.878 -30.135 -7.143 1.00 30.32 H new ATOM 0 HG3 LYS A 49 2.968 -29.107 -6.234 1.00 30.32 H new ATOM 0 HD2 LYS A 49 1.179 -28.703 -4.548 1.00 53.45 H new ATOM 0 HD3 LYS A 49 0.091 -29.733 -5.457 1.00 53.45 H new ATOM 0 HE2 LYS A 49 2.138 -31.467 -5.214 1.00 64.21 H new ATOM 0 HE3 LYS A 49 2.486 -30.478 -3.810 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 1.052 -32.329 -3.245 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 0.226 -30.865 -3.012 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -0.111 -31.823 -4.373 1.00 62.40 H new ATOM 821 N ASN A 50 1.089 -25.394 -8.665 1.00 2.35 N ATOM 822 CA ASN A 50 0.371 -24.480 -9.546 1.00 41.40 C ATOM 823 C ASN A 50 1.325 -23.467 -10.173 1.00 40.41 C ATOM 824 O ASN A 50 0.933 -22.679 -11.033 1.00 2.41 O ATOM 825 CB ASN A 50 -0.728 -23.750 -8.772 1.00 14.33 C ATOM 826 CG ASN A 50 -2.102 -24.338 -9.026 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.230 -25.486 -9.451 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.140 -23.552 -8.765 1.00 4.23 N ATOM 0 H ASN A 50 1.095 -25.117 -7.683 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.084 -25.067 -10.344 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.508 -23.795 -7.705 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.729 -22.697 -9.054 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.089 -23.894 -8.916 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -2.988 -22.607 -8.414 1.00 4.23 H new ATOM 835 N VAL A 51 2.580 -23.498 -9.739 1.00 64.11 N ATOM 836 CA VAL A 51 3.592 -22.585 -10.259 1.00 54.52 C ATOM 837 C VAL A 51 3.323 -21.153 -9.810 1.00 42.10 C ATOM 838 O VAL A 51 3.371 -20.219 -10.610 1.00 10.33 O ATOM 839 CB VAL A 51 3.649 -22.626 -11.797 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.945 -22.010 -12.301 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.497 -24.055 -12.297 1.00 50.43 C ATOM 0 H VAL A 51 2.921 -24.145 -9.028 1.00 64.11 H new ATOM 0 HA VAL A 51 4.551 -22.915 -9.859 1.00 54.52 H new ATOM 0 HB VAL A 51 2.820 -22.038 -12.190 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.967 -22.048 -13.390 1.00 71.12 H new ATOM 0 HG12 VAL A 51 5.006 -20.972 -11.973 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.792 -22.567 -11.901 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.540 -24.066 -13.386 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.304 -24.668 -11.896 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.538 -24.456 -11.967 1.00 50.43 H new ATOM 851 N LYS A 52 3.038 -20.986 -8.522 1.00 54.43 N ATOM 852 CA LYS A 52 2.763 -19.668 -7.964 1.00 32.42 C ATOM 853 C LYS A 52 3.233 -19.582 -6.516 1.00 50.21 C ATOM 854 O LYS A 52 3.615 -20.587 -5.914 1.00 11.15 O ATOM 855 CB LYS A 52 1.265 -19.361 -8.044 1.00 21.22 C ATOM 856 CG LYS A 52 0.959 -17.940 -8.486 1.00 10.13 C ATOM 857 CD LYS A 52 -0.315 -17.876 -9.312 1.00 32.21 C ATOM 858 CE LYS A 52 -0.396 -16.584 -10.112 1.00 73.31 C ATOM 859 NZ LYS A 52 -1.107 -15.512 -9.364 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.992 -21.748 -7.846 1.00 54.43 H new ATOM 0 HA LYS A 52 3.311 -18.930 -8.550 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.796 -20.058 -8.739 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.814 -19.534 -7.067 1.00 21.22 H new ATOM 0 HG2 LYS A 52 0.859 -17.299 -7.610 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.793 -17.552 -9.071 1.00 10.13 H new ATOM 0 HD2 LYS A 52 -0.353 -18.728 -9.990 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -1.181 -17.953 -8.654 1.00 32.21 H new ATOM 0 HE2 LYS A 52 0.610 -16.247 -10.360 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -0.911 -16.772 -11.054 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -1.141 -14.649 -9.943 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -2.076 -15.823 -9.149 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -0.602 -15.314 -8.477 1.00 35.03 H new ATOM 873 N LEU A 53 3.201 -18.375 -5.959 1.00 61.23 N ATOM 874 CA LEU A 53 3.623 -18.158 -4.579 1.00 12.34 C ATOM 875 C LEU A 53 2.584 -17.344 -3.814 1.00 64.35 C ATOM 876 O LEU A 53 2.522 -16.122 -3.942 1.00 64.45 O ATOM 877 CB LEU A 53 4.975 -17.442 -4.546 1.00 22.14 C ATOM 878 CG LEU A 53 6.199 -18.328 -4.311 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.567 -19.076 -5.584 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.373 -17.497 -3.820 1.00 42.33 C ATOM 0 H LEU A 53 2.887 -17.533 -6.442 1.00 61.23 H new ATOM 0 HA LEU A 53 3.722 -19.131 -4.097 1.00 12.34 H new ATOM 0 HB2 LEU A 53 5.108 -16.916 -5.492 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.944 -16.685 -3.762 1.00 22.14 H new ATOM 0 HG LEU A 53 5.952 -19.060 -3.542 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.440 -19.702 -5.399 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.730 -19.703 -5.893 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.795 -18.360 -6.374 1.00 71.22 H new ATOM 0 HD21 LEU A 53 8.235 -18.145 -3.658 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.621 -16.742 -4.566 1.00 42.33 H new ATOM 0 HD23 LEU A 53 7.106 -17.008 -2.883 1.00 42.33 H new ATOM 892 N VAL A 54 1.772 -18.032 -3.017 1.00 5.45 N ATOM 893 CA VAL A 54 0.738 -17.372 -2.229 1.00 41.23 C ATOM 894 C VAL A 54 1.190 -17.173 -0.786 1.00 45.12 C ATOM 895 O VAL A 54 2.237 -17.677 -0.379 1.00 72.40 O ATOM 896 CB VAL A 54 -0.574 -18.180 -2.237 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.915 -18.630 -3.649 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.472 -19.372 -1.298 1.00 11.01 C ATOM 0 H VAL A 54 1.810 -19.045 -2.900 1.00 5.45 H new ATOM 0 HA VAL A 54 0.561 -16.400 -2.689 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.379 -17.536 -1.882 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.845 -19.199 -3.635 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -1.034 -17.757 -4.290 1.00 71.10 H new ATOM 0 HG13 VAL A 54 -0.111 -19.257 -4.035 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.408 -19.931 -1.317 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.344 -20.019 -1.619 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.279 -19.021 -0.284 1.00 11.01 H new ATOM 908 N GLU A 55 0.394 -16.437 -0.018 1.00 21.23 N ATOM 909 CA GLU A 55 0.713 -16.171 1.380 1.00 34.21 C ATOM 910 C GLU A 55 -0.159 -17.013 2.307 1.00 31.12 C ATOM 911 O GLU A 55 -1.366 -16.797 2.408 1.00 24.40 O ATOM 912 CB GLU A 55 0.525 -14.686 1.696 1.00 60.31 C ATOM 913 CG GLU A 55 -0.874 -14.174 1.403 1.00 21.34 C ATOM 914 CD GLU A 55 -1.692 -13.957 2.662 1.00 40.15 C ATOM 915 OE1 GLU A 55 -1.120 -13.491 3.669 1.00 73.52 O1- ATOM 916 OE2 GLU A 55 -2.904 -14.255 2.640 1.00 15.53 O ATOM 0 H GLU A 55 -0.477 -16.014 -0.340 1.00 21.23 H new ATOM 0 HA GLU A 55 1.756 -16.441 1.545 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.752 -14.516 2.748 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.244 -14.106 1.117 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -0.805 -13.236 0.853 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.389 -14.885 0.758 1.00 21.34 H new ATOM 923 N SER A 56 0.463 -17.976 2.980 1.00 73.41 N ATOM 924 CA SER A 56 -0.256 -18.855 3.896 1.00 43.24 C ATOM 925 C SER A 56 0.715 -19.646 4.766 1.00 1.33 C ATOM 926 O SER A 56 1.916 -19.692 4.492 1.00 11.10 O ATOM 927 CB SER A 56 -1.156 -19.815 3.115 1.00 44.34 C ATOM 928 OG SER A 56 -2.498 -19.359 3.101 1.00 12.25 O ATOM 0 H SER A 56 1.462 -18.167 2.908 1.00 73.41 H new ATOM 0 HA SER A 56 -0.874 -18.234 4.544 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.790 -19.910 2.093 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.111 -20.807 3.564 1.00 44.34 H new ATOM 0 HG SER A 56 -2.518 -18.409 2.860 1.00 12.25 H new ATOM 934 N ASP A 57 0.190 -20.269 5.814 1.00 31.32 N ATOM 935 CA ASP A 57 1.009 -21.059 6.725 1.00 71.22 C ATOM 936 C ASP A 57 0.435 -22.463 6.894 1.00 51.13 C ATOM 937 O ASP A 57 -0.687 -22.631 7.373 1.00 50.20 O ATOM 938 CB ASP A 57 1.109 -20.369 8.085 1.00 63.23 C ATOM 939 CG ASP A 57 -0.007 -19.367 8.310 1.00 3.54 C ATOM 940 OD1 ASP A 57 0.035 -18.283 7.689 1.00 34.13 O ATOM 941 OD2 ASP A 57 -0.921 -19.666 9.106 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.801 -20.242 6.054 1.00 31.32 H new ATOM 0 HA ASP A 57 2.007 -21.143 6.295 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.082 -21.121 8.873 1.00 63.23 H new ATOM 0 HB3 ASP A 57 2.070 -19.861 8.161 1.00 63.23 H new ATOM 946 N ASP A 58 1.209 -23.466 6.496 1.00 42.15 N ATOM 947 CA ASP A 58 0.778 -24.854 6.603 1.00 13.22 C ATOM 948 C ASP A 58 1.972 -25.779 6.816 1.00 50.02 C ATOM 949 O ASP A 58 3.116 -25.398 6.571 1.00 32.03 O ATOM 950 CB ASP A 58 0.011 -25.270 5.347 1.00 32.33 C ATOM 951 CG ASP A 58 -0.749 -24.116 4.724 1.00 34.24 C ATOM 952 OD1 ASP A 58 -1.909 -23.887 5.122 1.00 21.22 O1- ATOM 953 OD2 ASP A 58 -0.182 -23.444 3.837 1.00 62.33 O ATOM 0 H ASP A 58 2.139 -23.343 6.096 1.00 42.15 H new ATOM 0 HA ASP A 58 0.118 -24.939 7.466 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.710 -25.678 4.616 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.688 -26.068 5.599 1.00 32.33 H new ATOM 958 N ALA A 59 1.697 -26.998 7.272 1.00 54.42 N ATOM 959 CA ALA A 59 2.748 -27.977 7.516 1.00 64.04 C ATOM 960 C ALA A 59 3.468 -28.344 6.222 1.00 23.53 C ATOM 961 O ALA A 59 3.045 -29.247 5.501 1.00 64.14 O ATOM 962 CB ALA A 59 2.168 -29.221 8.170 1.00 20.01 C ATOM 0 H ALA A 59 0.755 -27.330 7.479 1.00 54.42 H new ATOM 0 HA ALA A 59 3.477 -27.530 8.192 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.964 -29.944 8.347 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.706 -28.951 9.120 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.417 -29.661 7.513 1.00 20.01 H new ATOM 968 N ALA A 60 4.555 -27.637 5.935 1.00 25.42 N ATOM 969 CA ALA A 60 5.334 -27.890 4.728 1.00 52.24 C ATOM 970 C ALA A 60 6.493 -28.839 5.012 1.00 52.10 C ATOM 971 O ALA A 60 7.029 -28.865 6.119 1.00 32.51 O ATOM 972 CB ALA A 60 5.851 -26.581 4.150 1.00 60.25 C ATOM 0 H ALA A 60 4.917 -26.885 6.521 1.00 25.42 H new ATOM 0 HA ALA A 60 4.681 -28.365 3.996 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.431 -26.785 3.250 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.009 -25.935 3.901 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.485 -26.084 4.885 1.00 60.25 H new ATOM 978 N GLU A 61 6.874 -29.618 4.004 1.00 12.15 N ATOM 979 CA GLU A 61 7.970 -30.570 4.148 1.00 60.24 C ATOM 980 C GLU A 61 9.288 -29.848 4.410 1.00 60.45 C ATOM 981 O GLU A 61 10.229 -30.427 4.950 1.00 34.32 O ATOM 982 CB GLU A 61 8.091 -31.435 2.892 1.00 40.01 C ATOM 983 CG GLU A 61 7.453 -32.807 3.034 1.00 60.43 C ATOM 984 CD GLU A 61 5.940 -32.743 3.105 1.00 63.55 C ATOM 985 OE1 GLU A 61 5.313 -32.403 2.079 1.00 10.35 O ATOM 986 OE2 GLU A 61 5.383 -33.033 4.184 1.00 4.32 O1- ATOM 0 H GLU A 61 6.441 -29.609 3.081 1.00 12.15 H new ATOM 0 HA GLU A 61 7.751 -31.210 5.002 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.627 -30.913 2.055 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.146 -31.558 2.646 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.747 -33.429 2.189 1.00 60.43 H new ATOM 0 HG3 GLU A 61 7.835 -33.290 3.934 1.00 60.43 H new ATOM 993 N ALA A 62 9.347 -28.577 4.022 1.00 4.02 N ATOM 994 CA ALA A 62 10.548 -27.775 4.216 1.00 60.23 C ATOM 995 C ALA A 62 10.197 -26.366 4.680 1.00 52.32 C ATOM 996 O ALA A 62 9.438 -25.654 4.021 1.00 12.21 O ATOM 997 CB ALA A 62 11.361 -27.723 2.931 1.00 14.02 C ATOM 0 H ALA A 62 8.577 -28.082 3.572 1.00 4.02 H new ATOM 0 HA ALA A 62 11.149 -28.246 4.994 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.255 -27.121 3.090 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.651 -28.733 2.643 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.760 -27.278 2.138 1.00 14.02 H new ATOM 1003 N THR A 63 10.754 -25.967 5.820 1.00 64.23 N ATOM 1004 CA THR A 63 10.498 -24.643 6.373 1.00 11.41 C ATOM 1005 C THR A 63 11.657 -23.694 6.088 1.00 73.24 C ATOM 1006 O THR A 63 12.809 -23.991 6.411 1.00 53.04 O ATOM 1007 CB THR A 63 10.263 -24.706 7.894 1.00 31.34 C ATOM 1008 OG1 THR A 63 9.041 -25.398 8.174 1.00 62.11 O ATOM 1009 CG2 THR A 63 10.209 -23.308 8.491 1.00 45.10 C ATOM 0 H THR A 63 11.385 -26.542 6.378 1.00 64.23 H new ATOM 0 HA THR A 63 9.597 -24.267 5.888 1.00 11.41 H new ATOM 0 HB THR A 63 11.096 -25.245 8.346 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.901 -25.435 9.143 1.00 62.11 H new ATOM 0 HG21 THR A 63 10.042 -23.378 9.566 1.00 45.10 H new ATOM 0 HG22 THR A 63 11.152 -22.795 8.303 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.394 -22.748 8.033 1.00 45.10 H new ATOM 1017 N LEU A 64 11.347 -22.554 5.481 1.00 31.21 N ATOM 1018 CA LEU A 64 12.364 -21.561 5.154 1.00 23.22 C ATOM 1019 C LEU A 64 12.058 -20.226 5.825 1.00 10.31 C ATOM 1020 O LEU A 64 11.165 -19.493 5.399 1.00 34.35 O ATOM 1021 CB LEU A 64 12.452 -21.373 3.638 1.00 42.20 C ATOM 1022 CG LEU A 64 13.130 -22.502 2.860 1.00 33.54 C ATOM 1023 CD1 LEU A 64 12.256 -22.952 1.700 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.497 -22.056 2.359 1.00 33.52 C ATOM 0 H LEU A 64 10.400 -22.294 5.205 1.00 31.21 H new ATOM 0 HA LEU A 64 13.322 -21.923 5.526 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.442 -21.246 3.248 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.990 -20.446 3.437 1.00 42.20 H new ATOM 0 HG LEU A 64 13.269 -23.349 3.532 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.755 -23.756 1.159 1.00 24.14 H new ATOM 0 HD12 LEU A 64 11.300 -23.311 2.082 1.00 24.14 H new ATOM 0 HD13 LEU A 64 12.085 -22.112 1.026 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.966 -22.871 1.808 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.380 -21.194 1.703 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.125 -21.784 3.208 1.00 33.52 H new ATOM 1036 N THR A 65 12.807 -19.915 6.879 1.00 71.33 N ATOM 1037 CA THR A 65 12.617 -18.668 7.610 1.00 73.12 C ATOM 1038 C THR A 65 13.679 -17.641 7.231 1.00 14.11 C ATOM 1039 O THR A 65 14.875 -17.921 7.295 1.00 44.01 O ATOM 1040 CB THR A 65 12.659 -18.897 9.132 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.138 -20.193 9.447 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.857 -17.830 9.863 1.00 42.34 C ATOM 0 H THR A 65 13.551 -20.510 7.245 1.00 71.33 H new ATOM 0 HA THR A 65 11.633 -18.287 7.335 1.00 73.12 H new ATOM 0 HB THR A 65 13.697 -18.835 9.458 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.831 -20.725 9.891 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.902 -18.013 10.937 1.00 42.34 H new ATOM 0 HG22 THR A 65 12.275 -16.847 9.645 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.819 -17.864 9.532 1.00 42.34 H new ATOM 1050 N MET A 66 13.234 -16.453 6.839 1.00 44.23 N ATOM 1051 CA MET A 66 14.147 -15.384 6.452 1.00 35.33 C ATOM 1052 C MET A 66 13.504 -14.017 6.661 1.00 74.32 C ATOM 1053 O MET A 66 12.311 -13.838 6.416 1.00 1.23 O ATOM 1054 CB MET A 66 14.565 -15.545 4.989 1.00 73.33 C ATOM 1055 CG MET A 66 15.904 -16.243 4.812 1.00 31.14 C ATOM 1056 SD MET A 66 16.093 -16.980 3.178 1.00 74.11 S ATOM 1057 CE MET A 66 16.482 -18.674 3.613 1.00 64.32 C ATOM 0 H MET A 66 12.246 -16.206 6.781 1.00 44.23 H new ATOM 0 HA MET A 66 15.032 -15.450 7.085 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.797 -16.110 4.461 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.613 -14.561 4.523 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.708 -15.526 4.978 1.00 31.14 H new ATOM 0 HG3 MET A 66 16.008 -17.019 5.570 1.00 31.14 H new ATOM 0 HE1 MET A 66 17.075 -19.127 2.818 1.00 64.32 H new ATOM 0 HE2 MET A 66 17.050 -18.690 4.543 1.00 64.32 H new ATOM 0 HE3 MET A 66 15.558 -19.238 3.743 1.00 64.32 H new ATOM 1067 N GLU A 67 14.302 -13.056 7.118 1.00 74.44 N ATOM 1068 CA GLU A 67 13.808 -11.707 7.361 1.00 65.21 C ATOM 1069 C GLU A 67 13.587 -10.963 6.047 1.00 21.25 C ATOM 1070 O GLU A 67 14.210 -11.274 5.032 1.00 71.54 O ATOM 1071 CB GLU A 67 14.793 -10.930 8.239 1.00 61.44 C ATOM 1072 CG GLU A 67 14.971 -11.524 9.626 1.00 20.41 C ATOM 1073 CD GLU A 67 16.127 -10.900 10.384 1.00 50.14 C ATOM 1074 OE1 GLU A 67 17.283 -11.061 9.940 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 15.874 -10.252 11.420 1.00 70.53 O ATOM 0 H GLU A 67 15.292 -13.187 7.327 1.00 74.44 H new ATOM 0 HA GLU A 67 12.852 -11.786 7.879 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.762 -10.895 7.741 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.447 -9.901 8.335 1.00 61.44 H new ATOM 0 HG2 GLU A 67 14.052 -11.388 10.196 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.136 -12.598 9.539 1.00 20.41 H new ATOM 1082 N ASP A 68 12.694 -9.980 6.074 1.00 21.12 N ATOM 1083 CA ASP A 68 12.389 -9.191 4.886 1.00 71.10 C ATOM 1084 C ASP A 68 13.668 -8.681 4.229 1.00 24.42 C ATOM 1085 O ASP A 68 13.905 -8.916 3.045 1.00 74.24 O ATOM 1086 CB ASP A 68 11.483 -8.014 5.248 1.00 64.02 C ATOM 1087 CG ASP A 68 10.263 -7.924 4.352 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.751 -8.986 3.940 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 9.821 -6.793 4.060 1.00 12.13 O ATOM 0 H ASP A 68 12.169 -9.710 6.906 1.00 21.12 H new ATOM 0 HA ASP A 68 11.869 -9.835 4.176 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.162 -8.112 6.285 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.051 -7.087 5.177 1.00 64.02 H new ATOM 1094 N ASP A 69 14.487 -7.981 5.006 1.00 45.41 N ATOM 1095 CA ASP A 69 15.742 -7.437 4.500 1.00 14.54 C ATOM 1096 C ASP A 69 16.561 -8.520 3.803 1.00 22.43 C ATOM 1097 O ASP A 69 17.336 -8.233 2.889 1.00 53.21 O ATOM 1098 CB ASP A 69 16.553 -6.822 5.642 1.00 1.15 C ATOM 1099 CG ASP A 69 15.686 -6.051 6.617 1.00 54.42 C ATOM 1100 OD1 ASP A 69 15.260 -4.929 6.273 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 15.434 -6.569 7.725 1.00 74.02 O ATOM 0 H ASP A 69 14.305 -7.777 5.989 1.00 45.41 H new ATOM 0 HA ASP A 69 15.506 -6.660 3.773 1.00 14.54 H new ATOM 0 HB2 ASP A 69 17.081 -7.612 6.176 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.310 -6.156 5.228 1.00 1.15 H new ATOM 1106 N ILE A 70 16.386 -9.761 4.241 1.00 1.14 N ATOM 1107 CA ILE A 70 17.108 -10.885 3.659 1.00 43.35 C ATOM 1108 C ILE A 70 16.415 -11.393 2.400 1.00 31.44 C ATOM 1109 O ILE A 70 17.039 -12.020 1.546 1.00 24.31 O ATOM 1110 CB ILE A 70 17.244 -12.047 4.661 1.00 13.31 C ATOM 1111 CG1 ILE A 70 18.297 -11.717 5.720 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.600 -13.335 3.934 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.707 -11.670 5.174 1.00 73.31 C ATOM 0 H ILE A 70 15.750 -10.014 4.997 1.00 1.14 H new ATOM 0 HA ILE A 70 18.102 -10.520 3.401 1.00 43.35 H new ATOM 0 HB ILE A 70 16.286 -12.189 5.162 1.00 13.31 H new ATOM 0 HG12 ILE A 70 18.058 -10.754 6.171 1.00 2.20 H new ATOM 0 HG13 ILE A 70 18.248 -12.462 6.514 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.693 -14.147 4.656 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.816 -13.576 3.216 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.547 -13.207 3.409 1.00 11.14 H new ATOM 0 HD11 ILE A 70 20.401 -11.431 5.980 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.965 -12.640 4.749 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.772 -10.905 4.400 1.00 73.31 H new ATOM 1125 N MET A 71 15.120 -11.114 2.291 1.00 71.51 N ATOM 1126 CA MET A 71 14.342 -11.539 1.134 1.00 43.30 C ATOM 1127 C MET A 71 14.882 -10.910 -0.146 1.00 65.43 C ATOM 1128 O MET A 71 15.061 -11.592 -1.157 1.00 75.00 O ATOM 1129 CB MET A 71 12.869 -11.165 1.317 1.00 72.31 C ATOM 1130 CG MET A 71 12.490 -9.849 0.657 1.00 1.33 C ATOM 1131 SD MET A 71 10.788 -9.366 1.001 1.00 74.13 S ATOM 1132 CE MET A 71 10.122 -9.265 -0.659 1.00 31.24 C ATOM 0 H MET A 71 14.588 -10.596 2.990 1.00 71.51 H new ATOM 0 HA MET A 71 14.427 -12.622 1.049 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.247 -11.960 0.907 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.647 -11.105 2.383 1.00 72.31 H new ATOM 0 HG2 MET A 71 13.163 -9.065 1.004 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.629 -9.934 -0.421 1.00 1.33 H new ATOM 0 HE1 MET A 71 9.896 -8.226 -0.898 1.00 31.24 H new ATOM 0 HE2 MET A 71 10.855 -9.649 -1.369 1.00 31.24 H new ATOM 0 HE3 MET A 71 9.210 -9.859 -0.722 1.00 31.24 H new ATOM 1142 N PHE A 72 15.141 -9.608 -0.097 1.00 41.54 N ATOM 1143 CA PHE A 72 15.662 -8.888 -1.254 1.00 22.30 C ATOM 1144 C PHE A 72 17.149 -9.165 -1.443 1.00 43.01 C ATOM 1145 O PHE A 72 17.663 -9.119 -2.561 1.00 63.32 O ATOM 1146 CB PHE A 72 15.428 -7.385 -1.092 1.00 44.00 C ATOM 1147 CG PHE A 72 16.412 -6.721 -0.171 1.00 52.50 C ATOM 1148 CD1 PHE A 72 17.724 -6.518 -0.568 1.00 2.12 C ATOM 1149 CD2 PHE A 72 16.025 -6.299 1.091 1.00 61.23 C ATOM 1150 CE1 PHE A 72 18.632 -5.908 0.277 1.00 51.42 C ATOM 1151 CE2 PHE A 72 16.928 -5.688 1.940 1.00 44.43 C ATOM 1152 CZ PHE A 72 18.233 -5.493 1.533 1.00 61.11 C ATOM 0 H PHE A 72 14.999 -9.029 0.731 1.00 41.54 H new ATOM 0 HA PHE A 72 15.131 -9.239 -2.139 1.00 22.30 H new ATOM 0 HB2 PHE A 72 15.481 -6.909 -2.071 1.00 44.00 H new ATOM 0 HB3 PHE A 72 14.419 -7.221 -0.712 1.00 44.00 H new ATOM 0 HD1 PHE A 72 18.041 -6.840 -1.549 1.00 2.12 H new ATOM 0 HD2 PHE A 72 15.006 -6.449 1.415 1.00 61.23 H new ATOM 0 HE1 PHE A 72 19.652 -5.756 -0.044 1.00 51.42 H new ATOM 0 HE2 PHE A 72 16.613 -5.363 2.921 1.00 44.43 H new ATOM 0 HZ PHE A 72 18.941 -5.017 2.195 1.00 61.11 H new ATOM 1162 N ALA A 73 17.837 -9.453 -0.342 1.00 72.11 N ATOM 1163 CA ALA A 73 19.265 -9.739 -0.387 1.00 15.10 C ATOM 1164 C ALA A 73 19.541 -11.044 -1.126 1.00 3.03 C ATOM 1165 O ALA A 73 20.250 -11.060 -2.133 1.00 20.54 O ATOM 1166 CB ALA A 73 19.837 -9.798 1.022 1.00 40.23 C ATOM 0 H ALA A 73 17.428 -9.494 0.591 1.00 72.11 H new ATOM 0 HA ALA A 73 19.754 -8.932 -0.933 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.905 -10.012 0.973 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.682 -8.840 1.518 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.335 -10.584 1.586 1.00 40.23 H new ATOM 1172 N ILE A 74 18.978 -12.136 -0.621 1.00 62.02 N ATOM 1173 CA ILE A 74 19.163 -13.445 -1.233 1.00 2.11 C ATOM 1174 C ILE A 74 18.324 -13.583 -2.499 1.00 5.14 C ATOM 1175 O ILE A 74 18.721 -14.255 -3.450 1.00 43.34 O ATOM 1176 CB ILE A 74 18.795 -14.580 -0.260 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.722 -14.559 0.957 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.866 -15.927 -0.965 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.462 -15.684 1.935 1.00 30.22 C ATOM 0 H ILE A 74 18.389 -12.140 0.212 1.00 62.02 H new ATOM 0 HA ILE A 74 20.219 -13.527 -1.489 1.00 2.11 H new ATOM 0 HB ILE A 74 17.772 -14.426 0.084 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.756 -14.616 0.617 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.608 -13.606 1.474 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.603 -16.719 -0.264 1.00 21.22 H new ATOM 0 HG22 ILE A 74 18.168 -15.937 -1.802 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.878 -16.091 -1.335 1.00 21.22 H new ATOM 0 HD11 ILE A 74 20.156 -15.606 2.772 1.00 30.22 H new ATOM 0 HD12 ILE A 74 18.439 -15.616 2.304 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.604 -16.642 1.434 1.00 30.22 H new ATOM 1191 N GLY A 75 17.160 -12.939 -2.505 1.00 3.13 N ATOM 1192 CA GLY A 75 16.284 -13.001 -3.659 1.00 32.31 C ATOM 1193 C GLY A 75 17.003 -12.670 -4.951 1.00 1.25 C ATOM 1194 O GLY A 75 16.784 -13.317 -5.977 1.00 54.01 O ATOM 0 H GLY A 75 16.809 -12.376 -1.731 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.854 -14.000 -3.732 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.455 -12.307 -3.520 1.00 32.31 H new ATOM 1198 N THR A 76 17.863 -11.658 -4.906 1.00 53.52 N ATOM 1199 CA THR A 76 18.615 -11.240 -6.083 1.00 44.22 C ATOM 1200 C THR A 76 20.023 -11.823 -6.072 1.00 51.23 C ATOM 1201 O THR A 76 20.881 -11.415 -6.852 1.00 5.23 O ATOM 1202 CB THR A 76 18.708 -9.705 -6.173 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.498 -9.329 -7.306 1.00 43.24 O ATOM 1204 CG2 THR A 76 19.320 -9.125 -4.907 1.00 74.33 C ATOM 0 H THR A 76 18.056 -11.112 -4.066 1.00 53.52 H new ATOM 0 HA THR A 76 18.076 -11.616 -6.953 1.00 44.22 H new ATOM 0 HB THR A 76 17.699 -9.307 -6.285 1.00 62.11 H new ATOM 0 HG1 THR A 76 20.363 -9.787 -7.268 1.00 43.24 H new ATOM 0 HG21 THR A 76 19.375 -8.040 -4.994 1.00 74.33 H new ATOM 0 HG22 THR A 76 18.701 -9.389 -4.050 1.00 74.33 H new ATOM 0 HG23 THR A 76 20.323 -9.530 -4.769 1.00 74.33 H new ATOM 1212 N GLY A 77 20.253 -12.784 -5.181 1.00 1.41 N ATOM 1213 CA GLY A 77 21.560 -13.409 -5.086 1.00 40.44 C ATOM 1214 C GLY A 77 22.662 -12.408 -4.802 1.00 21.42 C ATOM 1215 O GLY A 77 23.807 -12.603 -5.210 1.00 72.34 O ATOM 0 H GLY A 77 19.558 -13.140 -4.524 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.544 -14.160 -4.296 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.778 -13.931 -6.018 1.00 40.44 H new ATOM 1219 N ALA A 78 22.317 -11.334 -4.099 1.00 14.03 N ATOM 1220 CA ALA A 78 23.286 -10.299 -3.760 1.00 4.53 C ATOM 1221 C ALA A 78 24.292 -10.806 -2.732 1.00 51.42 C ATOM 1222 O ALA A 78 25.487 -10.521 -2.826 1.00 12.13 O ATOM 1223 CB ALA A 78 22.574 -9.060 -3.238 1.00 15.31 C ATOM 0 H ALA A 78 21.374 -11.158 -3.753 1.00 14.03 H new ATOM 0 HA ALA A 78 23.832 -10.036 -4.666 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.310 -8.295 -2.989 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.899 -8.678 -4.004 1.00 15.31 H new ATOM 0 HB3 ALA A 78 22.002 -9.317 -2.346 1.00 15.31 H new ATOM 1229 N LEU A 79 23.801 -11.555 -1.751 1.00 34.13 N ATOM 1230 CA LEU A 79 24.658 -12.101 -0.704 1.00 54.32 C ATOM 1231 C LEU A 79 24.571 -13.623 -0.668 1.00 62.35 C ATOM 1232 O LEU A 79 23.603 -14.225 -1.132 1.00 75.14 O ATOM 1233 CB LEU A 79 24.264 -11.524 0.657 1.00 45.25 C ATOM 1234 CG LEU A 79 24.840 -10.148 0.994 1.00 22.42 C ATOM 1235 CD1 LEU A 79 24.199 -9.598 2.259 1.00 41.33 C ATOM 1236 CD2 LEU A 79 26.352 -10.226 1.151 1.00 23.31 C ATOM 0 H LEU A 79 22.815 -11.798 -1.658 1.00 34.13 H new ATOM 0 HA LEU A 79 25.687 -11.820 -0.927 1.00 54.32 H new ATOM 0 HB2 LEU A 79 23.177 -11.462 0.702 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.575 -12.226 1.431 1.00 45.25 H new ATOM 0 HG LEU A 79 24.615 -9.469 0.171 1.00 22.42 H new ATOM 0 HD11 LEU A 79 24.621 -8.618 2.484 1.00 41.33 H new ATOM 0 HD12 LEU A 79 23.123 -9.505 2.111 1.00 41.33 H new ATOM 0 HD13 LEU A 79 24.393 -10.276 3.090 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.744 -9.238 1.391 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.599 -10.919 1.955 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.797 -10.577 0.220 1.00 23.31 H new ATOM 1248 N PRO A 80 25.607 -14.262 -0.103 1.00 14.00 N ATOM 1249 CA PRO A 80 25.670 -15.722 0.010 1.00 41.14 C ATOM 1250 C PRO A 80 24.659 -16.270 1.011 1.00 21.40 C ATOM 1251 O PRO A 80 24.722 -15.965 2.202 1.00 0.41 O ATOM 1252 CB PRO A 80 27.098 -15.978 0.497 1.00 72.45 C ATOM 1253 CG PRO A 80 27.490 -14.724 1.200 1.00 25.51 C ATOM 1254 CD PRO A 80 26.795 -13.607 0.470 1.00 63.44 C ATOM 0 HA PRO A 80 25.432 -16.215 -0.933 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.140 -16.837 1.167 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.768 -16.191 -0.336 1.00 72.45 H new ATOM 0 HG2 PRO A 80 27.189 -14.753 2.247 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.571 -14.588 1.183 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.521 -12.796 1.144 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.430 -13.177 -0.305 1.00 63.44 H new ATOM 1262 N ALA A 81 23.729 -17.082 0.520 1.00 32.45 N ATOM 1263 CA ALA A 81 22.706 -17.676 1.372 1.00 0.14 C ATOM 1264 C ALA A 81 23.333 -18.526 2.472 1.00 23.15 C ATOM 1265 O ALA A 81 22.861 -18.536 3.609 1.00 35.22 O ATOM 1266 CB ALA A 81 21.744 -18.510 0.540 1.00 1.12 C ATOM 0 H ALA A 81 23.663 -17.344 -0.464 1.00 32.45 H new ATOM 0 HA ALA A 81 22.150 -16.868 1.847 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.986 -18.947 1.190 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.262 -17.876 -0.204 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.294 -19.306 0.037 1.00 1.12 H new ATOM 1272 N LYS A 82 24.399 -19.239 2.127 1.00 52.31 N ATOM 1273 CA LYS A 82 25.092 -20.093 3.084 1.00 64.02 C ATOM 1274 C LYS A 82 25.672 -19.269 4.228 1.00 31.13 C ATOM 1275 O LYS A 82 25.460 -19.580 5.399 1.00 60.00 O ATOM 1276 CB LYS A 82 26.208 -20.874 2.387 1.00 15.40 C ATOM 1277 CG LYS A 82 26.049 -22.382 2.484 1.00 55.43 C ATOM 1278 CD LYS A 82 27.353 -23.101 2.188 1.00 25.31 C ATOM 1279 CE LYS A 82 27.127 -24.583 1.931 1.00 43.03 C ATOM 1280 NZ LYS A 82 27.196 -25.380 3.187 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.803 -19.242 1.190 1.00 52.31 H new ATOM 0 HA LYS A 82 24.368 -20.796 3.497 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.238 -20.587 1.336 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.166 -20.589 2.823 1.00 15.40 H new ATOM 0 HG2 LYS A 82 25.704 -22.649 3.483 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.283 -22.714 1.783 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.830 -22.649 1.319 1.00 25.31 H new ATOM 0 HD3 LYS A 82 28.037 -22.976 3.028 1.00 25.31 H new ATOM 0 HE2 LYS A 82 26.153 -24.726 1.463 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.875 -24.948 1.228 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 27.037 -26.385 2.970 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.134 -25.264 3.621 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 26.465 -25.049 3.849 1.00 1.31 H new ATOM 1294 N GLU A 83 26.403 -18.214 3.881 1.00 54.33 N ATOM 1295 CA GLU A 83 27.013 -17.346 4.880 1.00 72.13 C ATOM 1296 C GLU A 83 25.948 -16.694 5.758 1.00 22.30 C ATOM 1297 O GLU A 83 26.079 -16.647 6.981 1.00 41.13 O ATOM 1298 CB GLU A 83 27.859 -16.266 4.202 1.00 33.31 C ATOM 1299 CG GLU A 83 29.180 -15.997 4.904 1.00 73.20 C ATOM 1300 CD GLU A 83 30.352 -15.950 3.944 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.496 -14.934 3.233 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.127 -16.930 3.905 1.00 42.32 O1- ATOM 0 H GLU A 83 26.587 -17.940 2.916 1.00 54.33 H new ATOM 0 HA GLU A 83 27.656 -17.959 5.512 1.00 72.13 H new ATOM 0 HB2 GLU A 83 28.058 -16.565 3.173 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.285 -15.340 4.159 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.116 -15.050 5.440 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.356 -16.773 5.649 1.00 73.20 H new ATOM 1309 N ALA A 84 24.892 -16.193 5.123 1.00 31.35 N ATOM 1310 CA ALA A 84 23.803 -15.547 5.845 1.00 33.22 C ATOM 1311 C ALA A 84 23.300 -16.427 6.984 1.00 0.53 C ATOM 1312 O ALA A 84 23.177 -15.977 8.122 1.00 54.02 O ATOM 1313 CB ALA A 84 22.665 -15.211 4.893 1.00 63.32 C ATOM 0 H ALA A 84 24.768 -16.222 4.111 1.00 31.35 H new ATOM 0 HA ALA A 84 24.186 -14.623 6.278 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.859 -14.729 5.446 1.00 63.32 H new ATOM 0 HB2 ALA A 84 23.027 -14.536 4.117 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.293 -16.127 4.433 1.00 63.32 H new ATOM 1319 N MET A 85 23.010 -17.686 6.669 1.00 15.31 N ATOM 1320 CA MET A 85 22.521 -18.630 7.667 1.00 72.33 C ATOM 1321 C MET A 85 23.656 -19.110 8.565 1.00 13.11 C ATOM 1322 O MET A 85 23.433 -19.487 9.714 1.00 65.35 O ATOM 1323 CB MET A 85 21.853 -19.825 6.986 1.00 14.13 C ATOM 1324 CG MET A 85 20.573 -19.468 6.246 1.00 2.33 C ATOM 1325 SD MET A 85 20.230 -20.584 4.872 1.00 30.31 S ATOM 1326 CE MET A 85 19.950 -19.411 3.546 1.00 34.22 C ATOM 0 H MET A 85 23.105 -18.075 5.731 1.00 15.31 H new ATOM 0 HA MET A 85 21.785 -18.116 8.286 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.556 -20.272 6.283 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.629 -20.582 7.737 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.736 -19.490 6.944 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.648 -18.448 5.870 1.00 2.33 H new ATOM 0 HE1 MET A 85 19.504 -19.924 2.694 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.276 -18.627 3.890 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.899 -18.968 3.246 1.00 34.22 H new ATOM 1336 N ALA A 86 24.873 -19.093 8.031 1.00 22.40 N ATOM 1337 CA ALA A 86 26.044 -19.525 8.785 1.00 24.14 C ATOM 1338 C ALA A 86 26.248 -18.662 10.025 1.00 44.20 C ATOM 1339 O ALA A 86 26.745 -19.135 11.046 1.00 35.33 O ATOM 1340 CB ALA A 86 27.283 -19.487 7.902 1.00 41.43 C ATOM 0 H ALA A 86 25.074 -18.785 7.080 1.00 22.40 H new ATOM 0 HA ALA A 86 25.877 -20.551 9.113 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.150 -19.812 8.477 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.143 -20.152 7.050 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.445 -18.470 7.545 1.00 41.43 H new ATOM 1346 N GLN A 87 25.861 -17.394 9.928 1.00 21.33 N ATOM 1347 CA GLN A 87 26.003 -16.464 11.042 1.00 11.30 C ATOM 1348 C GLN A 87 24.771 -16.498 11.940 1.00 13.12 C ATOM 1349 O GLN A 87 24.434 -15.506 12.587 1.00 34.44 O ATOM 1350 CB GLN A 87 26.232 -15.044 10.523 1.00 62.44 C ATOM 1351 CG GLN A 87 27.652 -14.542 10.729 1.00 22.40 C ATOM 1352 CD GLN A 87 27.727 -13.032 10.845 1.00 42.41 C ATOM 1353 OE1 GLN A 87 26.875 -12.404 11.475 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.749 -12.442 10.237 1.00 23.23 N ATOM 0 H GLN A 87 25.447 -16.987 9.089 1.00 21.33 H new ATOM 0 HA GLN A 87 26.867 -16.771 11.631 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.995 -15.012 9.460 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.540 -14.367 11.024 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.065 -14.993 11.631 1.00 22.40 H new ATOM 0 HG3 GLN A 87 28.274 -14.870 9.896 1.00 22.40 H new ATOM 0 HE21 GLN A 87 29.431 -13.003 9.726 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.852 -11.428 10.281 1.00 23.23 H new ATOM 1363 N ASP A 88 24.101 -17.645 11.974 1.00 74.43 N ATOM 1364 CA ASP A 88 22.905 -17.808 12.793 1.00 30.11 C ATOM 1365 C ASP A 88 21.948 -16.637 12.596 1.00 61.34 C ATOM 1366 O ASP A 88 21.175 -16.295 13.492 1.00 12.20 O ATOM 1367 CB ASP A 88 23.285 -17.929 14.270 1.00 42.33 C ATOM 1368 CG ASP A 88 24.216 -19.096 14.534 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.803 -20.250 14.294 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 25.358 -18.856 14.981 1.00 73.51 O ATOM 0 H ASP A 88 24.366 -18.475 11.444 1.00 74.43 H new ATOM 0 HA ASP A 88 22.401 -18.722 12.479 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.763 -17.005 14.596 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.380 -18.047 14.866 1.00 42.33 H new ATOM 1375 N LYS A 89 22.004 -16.024 11.418 1.00 0.12 N ATOM 1376 CA LYS A 89 21.142 -14.892 11.102 1.00 50.20 C ATOM 1377 C LYS A 89 19.816 -15.364 10.516 1.00 23.34 C ATOM 1378 O LYS A 89 18.974 -14.554 10.128 1.00 54.12 O ATOM 1379 CB LYS A 89 21.841 -13.952 10.117 1.00 12.11 C ATOM 1380 CG LYS A 89 22.165 -12.588 10.703 1.00 1.11 C ATOM 1381 CD LYS A 89 22.101 -11.499 9.645 1.00 0.51 C ATOM 1382 CE LYS A 89 21.028 -10.470 9.970 1.00 23.00 C ATOM 1383 NZ LYS A 89 21.465 -9.087 9.628 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.638 -16.293 10.666 1.00 0.12 H new ATOM 0 HA LYS A 89 20.938 -14.353 12.027 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.764 -14.420 9.774 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.206 -13.820 9.241 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.463 -12.359 11.505 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.161 -12.608 11.146 1.00 1.11 H new ATOM 0 HD2 LYS A 89 23.070 -11.005 9.570 1.00 0.51 H new ATOM 0 HD3 LYS A 89 21.895 -11.946 8.673 1.00 0.51 H new ATOM 0 HE2 LYS A 89 20.117 -10.709 9.421 1.00 23.00 H new ATOM 0 HE3 LYS A 89 20.784 -10.522 11.031 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 20.707 -8.415 9.864 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 22.320 -8.849 10.170 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 21.673 -9.030 8.611 1.00 64.21 H new ATOM 1397 N MET A 90 19.635 -16.680 10.456 1.00 61.54 N ATOM 1398 CA MET A 90 18.408 -17.259 9.921 1.00 34.14 C ATOM 1399 C MET A 90 18.217 -18.686 10.423 1.00 23.11 C ATOM 1400 O MET A 90 19.186 -19.381 10.727 1.00 52.43 O ATOM 1401 CB MET A 90 18.439 -17.244 8.391 1.00 63.10 C ATOM 1402 CG MET A 90 17.936 -15.942 7.787 1.00 53.24 C ATOM 1403 SD MET A 90 19.243 -15.004 6.973 1.00 10.12 S ATOM 1404 CE MET A 90 19.535 -16.018 5.525 1.00 55.23 C ATOM 0 H MET A 90 20.322 -17.365 10.771 1.00 61.54 H new ATOM 0 HA MET A 90 17.569 -16.656 10.267 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.461 -17.421 8.054 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.832 -18.068 8.015 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.148 -16.161 7.066 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.490 -15.331 8.571 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.483 -16.545 5.635 1.00 55.23 H new ATOM 0 HE2 MET A 90 18.727 -16.742 5.419 1.00 55.23 H new ATOM 0 HE3 MET A 90 19.573 -15.385 4.639 1.00 55.23 H new ATOM 1414 N GLU A 91 16.962 -19.116 10.506 1.00 65.45 N ATOM 1415 CA GLU A 91 16.645 -20.461 10.972 1.00 11.40 C ATOM 1416 C GLU A 91 15.787 -21.202 9.952 1.00 34.33 C ATOM 1417 O GLU A 91 14.606 -20.897 9.777 1.00 12.44 O ATOM 1418 CB GLU A 91 15.919 -20.400 12.319 1.00 33.13 C ATOM 1419 CG GLU A 91 16.657 -19.592 13.372 1.00 21.12 C ATOM 1420 CD GLU A 91 16.242 -18.133 13.385 1.00 24.32 C ATOM 1421 OE1 GLU A 91 15.059 -17.855 13.679 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 17.097 -17.270 13.101 1.00 51.55 O ATOM 0 H GLU A 91 16.149 -18.553 10.257 1.00 65.45 H new ATOM 0 HA GLU A 91 17.581 -21.005 11.096 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.929 -19.968 12.170 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.772 -21.415 12.689 1.00 33.13 H new ATOM 0 HG2 GLU A 91 16.472 -20.027 14.354 1.00 21.12 H new ATOM 0 HG3 GLU A 91 17.730 -19.659 13.190 1.00 21.12 H new ATOM 1429 N VAL A 92 16.387 -22.179 9.280 1.00 4.22 N ATOM 1430 CA VAL A 92 15.679 -22.966 8.278 1.00 10.32 C ATOM 1431 C VAL A 92 15.692 -24.449 8.632 1.00 5.13 C ATOM 1432 O VAL A 92 16.672 -24.959 9.174 1.00 24.13 O ATOM 1433 CB VAL A 92 16.296 -22.779 6.879 1.00 74.54 C ATOM 1434 CG1 VAL A 92 15.929 -21.416 6.311 1.00 44.34 C ATOM 1435 CG2 VAL A 92 17.807 -22.953 6.935 1.00 24.44 C ATOM 0 H VAL A 92 17.363 -22.445 9.412 1.00 4.22 H new ATOM 0 HA VAL A 92 14.650 -22.608 8.265 1.00 10.32 H new ATOM 0 HB VAL A 92 15.889 -23.543 6.217 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.374 -21.302 5.322 1.00 44.34 H new ATOM 0 HG12 VAL A 92 14.845 -21.334 6.233 1.00 44.34 H new ATOM 0 HG13 VAL A 92 16.305 -20.634 6.970 1.00 44.34 H new ATOM 0 HG21 VAL A 92 18.226 -22.818 5.938 1.00 24.44 H new ATOM 0 HG22 VAL A 92 18.234 -22.213 7.612 1.00 24.44 H new ATOM 0 HG23 VAL A 92 18.045 -23.954 7.296 1.00 24.44 H new ATOM 1445 N ASP A 93 14.596 -25.134 8.322 1.00 5.23 N ATOM 1446 CA ASP A 93 14.482 -26.561 8.607 1.00 71.33 C ATOM 1447 C ASP A 93 13.934 -27.313 7.399 1.00 3.43 C ATOM 1448 O ASP A 93 12.776 -27.139 7.018 1.00 70.13 O ATOM 1449 CB ASP A 93 13.578 -26.789 9.819 1.00 63.55 C ATOM 1450 CG ASP A 93 13.893 -25.844 10.962 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.939 -26.033 11.618 1.00 3.05 O ATOM 1452 OD2 ASP A 93 13.093 -24.915 11.201 1.00 61.15 O1- ATOM 0 H ASP A 93 13.775 -24.726 7.874 1.00 5.23 H new ATOM 0 HA ASP A 93 15.478 -26.944 8.829 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.537 -26.661 9.522 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.687 -27.818 10.162 1.00 63.55 H new ATOM 1457 N GLY A 94 14.774 -28.150 6.797 1.00 62.44 N ATOM 1458 CA GLY A 94 14.356 -28.916 5.638 1.00 54.13 C ATOM 1459 C GLY A 94 15.524 -29.552 4.911 1.00 34.44 C ATOM 1460 O GLY A 94 16.680 -29.223 5.175 1.00 31.24 O ATOM 0 H GLY A 94 15.737 -28.311 7.092 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.661 -29.694 5.952 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.816 -28.264 4.951 1.00 54.13 H new ATOM 1464 N GLN A 95 15.222 -30.465 3.994 1.00 20.11 N ATOM 1465 CA GLN A 95 16.257 -31.150 3.230 1.00 74.11 C ATOM 1466 C GLN A 95 17.169 -30.148 2.528 1.00 14.41 C ATOM 1467 O GLN A 95 16.733 -29.405 1.649 1.00 70.12 O ATOM 1468 CB GLN A 95 15.623 -32.088 2.200 1.00 43.12 C ATOM 1469 CG GLN A 95 16.257 -33.470 2.165 1.00 5.44 C ATOM 1470 CD GLN A 95 16.284 -34.133 3.528 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.251 -34.566 4.041 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.468 -34.219 4.121 1.00 15.42 N ATOM 0 H GLN A 95 14.270 -30.747 3.762 1.00 20.11 H new ATOM 0 HA GLN A 95 16.858 -31.736 3.925 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.560 -32.190 2.419 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.702 -31.636 1.211 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.705 -34.101 1.469 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.275 -33.389 1.784 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.298 -33.847 3.659 1.00 15.42 H new ATOM 0 HE22 GLN A 95 17.548 -34.657 5.038 1.00 15.42 H new ATOM 1481 N VAL A 96 18.437 -30.133 2.924 1.00 3.03 N ATOM 1482 CA VAL A 96 19.412 -29.222 2.334 1.00 31.30 C ATOM 1483 C VAL A 96 19.261 -29.164 0.818 1.00 11.34 C ATOM 1484 O VAL A 96 19.287 -28.087 0.224 1.00 40.02 O ATOM 1485 CB VAL A 96 20.853 -29.642 2.679 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.855 -28.715 2.007 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.056 -29.656 4.187 1.00 14.52 C ATOM 0 H VAL A 96 18.814 -30.741 3.651 1.00 3.03 H new ATOM 0 HA VAL A 96 19.219 -28.235 2.754 1.00 31.30 H new ATOM 0 HB VAL A 96 21.019 -30.651 2.303 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.868 -29.027 2.262 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.723 -28.759 0.926 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.693 -27.693 2.351 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.079 -29.955 4.414 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.872 -28.659 4.588 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.362 -30.364 4.641 1.00 14.52 H new ATOM 1497 N GLU A 97 19.102 -30.329 0.199 1.00 74.25 N ATOM 1498 CA GLU A 97 18.947 -30.410 -1.248 1.00 11.51 C ATOM 1499 C GLU A 97 17.767 -29.564 -1.717 1.00 42.00 C ATOM 1500 O GLU A 97 17.893 -28.759 -2.641 1.00 42.22 O ATOM 1501 CB GLU A 97 18.750 -31.864 -1.683 1.00 74.24 C ATOM 1502 CG GLU A 97 19.975 -32.471 -2.347 1.00 53.13 C ATOM 1503 CD GLU A 97 19.671 -33.787 -3.038 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.145 -33.754 -4.170 1.00 51.11 O ATOM 1505 OE2 GLU A 97 19.959 -34.848 -2.447 1.00 41.00 O1- ATOM 0 H GLU A 97 19.077 -31.230 0.677 1.00 74.25 H new ATOM 0 HA GLU A 97 19.856 -30.021 -1.706 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.485 -32.463 -0.811 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.909 -31.917 -2.374 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.376 -31.766 -3.076 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.750 -32.629 -1.597 1.00 53.13 H new ATOM 1512 N LEU A 98 16.620 -29.752 -1.074 1.00 4.22 N ATOM 1513 CA LEU A 98 15.415 -29.007 -1.424 1.00 45.51 C ATOM 1514 C LEU A 98 15.711 -27.515 -1.539 1.00 62.10 C ATOM 1515 O LEU A 98 15.422 -26.892 -2.560 1.00 75.13 O ATOM 1516 CB LEU A 98 14.324 -29.243 -0.379 1.00 63.45 C ATOM 1517 CG LEU A 98 13.729 -30.651 -0.336 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.930 -30.854 0.943 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.856 -30.898 -1.557 1.00 24.12 C ATOM 0 H LEU A 98 16.499 -30.414 -0.307 1.00 4.22 H new ATOM 0 HA LEU A 98 15.065 -29.365 -2.392 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.735 -29.014 0.604 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.516 -28.534 -0.560 1.00 63.45 H new ATOM 0 HG LEU A 98 14.547 -31.371 -0.347 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.514 -31.861 0.956 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.583 -30.720 1.805 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.120 -30.126 0.985 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.441 -31.905 -1.510 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.044 -30.171 -1.577 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.457 -30.795 -2.461 1.00 24.12 H new ATOM 1531 N ILE A 99 16.292 -26.950 -0.486 1.00 14.23 N ATOM 1532 CA ILE A 99 16.630 -25.532 -0.469 1.00 35.14 C ATOM 1533 C ILE A 99 17.791 -25.233 -1.412 1.00 52.03 C ATOM 1534 O ILE A 99 17.947 -24.108 -1.885 1.00 51.23 O ATOM 1535 CB ILE A 99 16.999 -25.057 0.948 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.225 -25.816 1.460 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.822 -25.243 1.893 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.873 -25.174 2.668 1.00 52.41 C ATOM 0 H ILE A 99 16.539 -27.453 0.367 1.00 14.23 H new ATOM 0 HA ILE A 99 15.744 -24.993 -0.804 1.00 35.14 H new ATOM 0 HB ILE A 99 17.242 -23.995 0.907 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.932 -26.835 1.714 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.960 -25.886 0.658 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.099 -24.902 2.891 1.00 43.42 H new ATOM 0 HG22 ILE A 99 14.972 -24.662 1.534 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.550 -26.298 1.932 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.735 -25.766 2.976 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.198 -24.165 2.414 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.154 -25.128 3.486 1.00 52.41 H new ATOM 1550 N PHE A 100 18.603 -26.251 -1.683 1.00 71.24 N ATOM 1551 CA PHE A 100 19.750 -26.098 -2.571 1.00 72.33 C ATOM 1552 C PHE A 100 19.309 -26.085 -4.031 1.00 42.50 C ATOM 1553 O PHE A 100 20.071 -25.696 -4.918 1.00 71.51 O ATOM 1554 CB PHE A 100 20.755 -27.229 -2.339 1.00 70.10 C ATOM 1555 CG PHE A 100 22.039 -27.054 -3.098 1.00 5.21 C ATOM 1556 CD1 PHE A 100 22.998 -26.154 -2.665 1.00 64.21 C ATOM 1557 CD2 PHE A 100 22.286 -27.791 -4.245 1.00 32.30 C ATOM 1558 CE1 PHE A 100 24.181 -25.991 -3.362 1.00 44.14 C ATOM 1559 CE2 PHE A 100 23.466 -27.633 -4.947 1.00 55.43 C ATOM 1560 CZ PHE A 100 24.415 -26.732 -4.504 1.00 4.43 C ATOM 0 H PHE A 100 18.488 -27.190 -1.301 1.00 71.24 H new ATOM 0 HA PHE A 100 20.228 -25.145 -2.346 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.978 -27.294 -1.274 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.298 -28.176 -2.627 1.00 70.10 H new ATOM 0 HD1 PHE A 100 22.820 -25.573 -1.772 1.00 64.21 H new ATOM 0 HD2 PHE A 100 21.548 -28.497 -4.595 1.00 32.30 H new ATOM 0 HE1 PHE A 100 24.921 -25.285 -3.014 1.00 44.14 H new ATOM 0 HE2 PHE A 100 23.646 -28.213 -5.840 1.00 55.43 H new ATOM 0 HZ PHE A 100 25.339 -26.607 -5.050 1.00 4.43 H new ATOM 1570 N LEU A 101 18.076 -26.513 -4.274 1.00 25.32 N ATOM 1571 CA LEU A 101 17.532 -26.552 -5.628 1.00 40.32 C ATOM 1572 C LEU A 101 17.168 -25.152 -6.109 1.00 65.23 C ATOM 1573 O LEU A 101 17.269 -24.847 -7.297 1.00 62.41 O ATOM 1574 CB LEU A 101 16.300 -27.458 -5.678 1.00 25.44 C ATOM 1575 CG LEU A 101 16.529 -28.874 -6.207 1.00 23.22 C ATOM 1576 CD1 LEU A 101 16.888 -28.839 -7.685 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.619 -29.573 -5.408 1.00 22.30 C ATOM 0 H LEU A 101 17.433 -26.838 -3.552 1.00 25.32 H new ATOM 0 HA LEU A 101 18.299 -26.955 -6.290 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.886 -27.530 -4.672 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.545 -26.977 -6.300 1.00 25.44 H new ATOM 0 HG LEU A 101 15.604 -29.439 -6.091 1.00 23.22 H new ATOM 0 HD11 LEU A 101 17.048 -29.855 -8.045 1.00 4.34 H new ATOM 0 HD12 LEU A 101 16.075 -28.379 -8.246 1.00 4.34 H new ATOM 0 HD13 LEU A 101 17.799 -28.258 -7.824 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.768 -30.580 -5.799 1.00 22.30 H new ATOM 0 HD22 LEU A 101 18.549 -29.010 -5.491 1.00 22.30 H new ATOM 0 HD23 LEU A 101 17.322 -29.631 -4.361 1.00 22.30 H new ATOM 1589 N LEU A 102 16.747 -24.303 -5.178 1.00 30.55 N ATOM 1590 CA LEU A 102 16.369 -22.933 -5.506 1.00 44.41 C ATOM 1591 C LEU A 102 17.585 -22.011 -5.476 1.00 35.10 C ATOM 1592 O LEU A 102 17.502 -20.847 -5.864 1.00 24.35 O ATOM 1593 CB LEU A 102 15.308 -22.427 -4.527 1.00 74.32 C ATOM 1594 CG LEU A 102 13.856 -22.747 -4.887 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.715 -24.206 -5.286 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.934 -22.418 -3.722 1.00 31.25 C ATOM 0 H LEU A 102 16.659 -24.539 -4.190 1.00 30.55 H new ATOM 0 HA LEU A 102 15.956 -22.928 -6.515 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.519 -22.848 -3.544 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.410 -21.345 -4.439 1.00 74.32 H new ATOM 0 HG LEU A 102 13.567 -22.130 -5.738 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.676 -24.415 -5.539 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.347 -24.409 -6.151 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.022 -24.842 -4.455 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.905 -22.652 -3.995 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.222 -23.009 -2.852 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.014 -21.358 -3.483 1.00 31.25 H new ATOM 1608 N GLU A 103 18.713 -22.543 -5.016 1.00 43.15 N ATOM 1609 CA GLU A 103 19.945 -21.768 -4.939 1.00 3.21 C ATOM 1610 C GLU A 103 20.410 -21.343 -6.329 1.00 63.23 C ATOM 1611 O GLU A 103 20.673 -20.170 -6.592 1.00 12.34 O ATOM 1612 CB GLU A 103 21.043 -22.581 -4.250 1.00 45.21 C ATOM 1613 CG GLU A 103 21.141 -22.328 -2.754 1.00 43.34 C ATOM 1614 CD GLU A 103 22.404 -22.904 -2.146 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.454 -22.881 -2.822 1.00 12.12 O1- ATOM 1616 OE2 GLU A 103 22.344 -23.380 -0.993 1.00 3.05 O ATOM 0 H GLU A 103 18.799 -23.506 -4.692 1.00 43.15 H new ATOM 0 HA GLU A 103 19.743 -20.872 -4.353 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.858 -23.642 -4.419 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.002 -22.347 -4.713 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.110 -21.254 -2.568 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.273 -22.763 -2.258 1.00 43.34 H new ATOM 1623 N PRO A 104 20.515 -22.320 -7.242 1.00 1.41 N ATOM 1624 CA PRO A 104 20.947 -22.074 -8.621 1.00 73.13 C ATOM 1625 C PRO A 104 19.908 -21.300 -9.424 1.00 4.23 C ATOM 1626 O PRO A 104 20.169 -20.874 -10.550 1.00 22.01 O ATOM 1627 CB PRO A 104 21.127 -23.481 -9.194 1.00 53.34 C ATOM 1628 CG PRO A 104 20.223 -24.341 -8.379 1.00 15.34 C ATOM 1629 CD PRO A 104 20.217 -23.743 -6.999 1.00 52.44 C ATOM 0 HA PRO A 104 21.850 -21.465 -8.662 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.860 -23.515 -10.250 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.163 -23.810 -9.116 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.218 -24.360 -8.800 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.579 -25.371 -8.357 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.252 -23.873 -6.509 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.966 -24.206 -6.357 1.00 52.44 H new ATOM 1637 N PHE A 105 18.728 -21.121 -8.840 1.00 2.15 N ATOM 1638 CA PHE A 105 17.648 -20.397 -9.502 1.00 32.10 C ATOM 1639 C PHE A 105 17.599 -18.945 -9.037 1.00 31.15 C ATOM 1640 O PHE A 105 16.978 -18.098 -9.677 1.00 64.30 O ATOM 1641 CB PHE A 105 16.305 -21.078 -9.226 1.00 54.33 C ATOM 1642 CG PHE A 105 16.201 -22.458 -9.812 1.00 41.41 C ATOM 1643 CD1 PHE A 105 16.797 -22.756 -11.026 1.00 74.43 C ATOM 1644 CD2 PHE A 105 15.506 -23.456 -9.147 1.00 1.41 C ATOM 1645 CE1 PHE A 105 16.702 -24.024 -11.567 1.00 11.53 C ATOM 1646 CE2 PHE A 105 15.409 -24.725 -9.683 1.00 3.32 C ATOM 1647 CZ PHE A 105 16.007 -25.010 -10.896 1.00 12.30 C ATOM 0 H PHE A 105 18.495 -21.467 -7.909 1.00 2.15 H new ATOM 0 HA PHE A 105 17.841 -20.409 -10.575 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.151 -21.137 -8.149 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.503 -20.459 -9.629 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.342 -21.989 -11.556 1.00 74.43 H new ATOM 0 HD2 PHE A 105 15.035 -23.239 -8.200 1.00 1.41 H new ATOM 0 HE1 PHE A 105 17.171 -24.244 -12.515 1.00 11.53 H new ATOM 0 HE2 PHE A 105 14.866 -25.495 -9.154 1.00 3.32 H new ATOM 0 HZ PHE A 105 15.931 -26.001 -11.318 1.00 12.30 H new ATOM 1657 N ILE A 106 18.260 -18.667 -7.918 1.00 24.22 N ATOM 1658 CA ILE A 106 18.295 -17.318 -7.367 1.00 75.54 C ATOM 1659 C ILE A 106 18.817 -16.318 -8.393 1.00 2.34 C ATOM 1660 O ILE A 106 18.301 -15.207 -8.512 1.00 3.54 O ATOM 1661 CB ILE A 106 19.172 -17.247 -6.104 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.447 -17.884 -4.916 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.540 -15.803 -5.795 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.382 -18.388 -3.839 1.00 25.24 C ATOM 0 H ILE A 106 18.778 -19.358 -7.376 1.00 24.22 H new ATOM 0 HA ILE A 106 17.270 -17.060 -7.101 1.00 75.54 H new ATOM 0 HB ILE A 106 20.091 -17.805 -6.286 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.766 -17.153 -4.482 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.838 -18.714 -5.275 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.160 -15.769 -4.899 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.092 -15.381 -6.635 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.632 -15.223 -5.629 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.800 -18.827 -3.028 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.047 -19.143 -4.258 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.974 -17.558 -3.453 1.00 25.24 H new ATOM 1676 N ALA A 107 19.845 -16.720 -9.134 1.00 3.35 N ATOM 1677 CA ALA A 107 20.435 -15.861 -10.153 1.00 34.20 C ATOM 1678 C ALA A 107 19.471 -15.644 -11.314 1.00 53.41 C ATOM 1679 O ALA A 107 19.366 -14.539 -11.846 1.00 32.33 O ATOM 1680 CB ALA A 107 21.742 -16.460 -10.653 1.00 64.22 C ATOM 0 H ALA A 107 20.286 -17.636 -9.047 1.00 3.35 H new ATOM 0 HA ALA A 107 20.641 -14.890 -9.702 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.173 -15.809 -11.414 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.440 -16.557 -9.821 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.551 -17.443 -11.083 1.00 64.22 H new ATOM 1686 N SER A 108 18.769 -16.704 -11.701 1.00 21.15 N ATOM 1687 CA SER A 108 17.818 -16.629 -12.803 1.00 44.42 C ATOM 1688 C SER A 108 16.877 -15.440 -12.628 1.00 32.13 C ATOM 1689 O SER A 108 16.466 -14.811 -13.604 1.00 64.31 O ATOM 1690 CB SER A 108 17.008 -17.925 -12.893 1.00 55.01 C ATOM 1691 OG SER A 108 17.853 -19.061 -12.819 1.00 5.42 O ATOM 0 H SER A 108 18.841 -17.625 -11.268 1.00 21.15 H new ATOM 0 HA SER A 108 18.379 -16.493 -13.727 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.278 -17.958 -12.085 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.449 -17.944 -13.829 1.00 55.01 H new ATOM 0 HG SER A 108 17.312 -19.876 -12.877 1.00 5.42 H new ATOM 1697 N LEU A 109 16.542 -15.137 -11.379 1.00 35.14 N ATOM 1698 CA LEU A 109 15.651 -14.024 -11.075 1.00 3.21 C ATOM 1699 C LEU A 109 16.133 -12.742 -11.747 1.00 12.12 C ATOM 1700 O LEU A 109 17.260 -12.670 -12.236 1.00 20.34 O ATOM 1701 CB LEU A 109 15.559 -13.817 -9.562 1.00 34.14 C ATOM 1702 CG LEU A 109 15.150 -15.040 -8.741 1.00 61.52 C ATOM 1703 CD1 LEU A 109 14.637 -14.619 -7.373 1.00 33.34 C ATOM 1704 CD2 LEU A 109 14.096 -15.851 -9.481 1.00 5.32 C ATOM 0 H LEU A 109 16.874 -15.647 -10.560 1.00 35.14 H new ATOM 0 HA LEU A 109 14.662 -14.266 -11.463 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.528 -13.471 -9.203 1.00 34.14 H new ATOM 0 HB3 LEU A 109 14.844 -13.018 -9.368 1.00 34.14 H new ATOM 0 HG LEU A 109 16.030 -15.668 -8.598 1.00 61.52 H new ATOM 0 HD11 LEU A 109 14.351 -15.503 -6.804 1.00 33.34 H new ATOM 0 HD12 LEU A 109 15.422 -14.082 -6.840 1.00 33.34 H new ATOM 0 HD13 LEU A 109 13.770 -13.969 -7.494 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.817 -16.718 -8.882 1.00 5.32 H new ATOM 0 HD22 LEU A 109 13.216 -15.232 -9.655 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.499 -16.185 -10.437 1.00 5.32 H new ATOM 1716 N LYS A 110 15.272 -11.729 -11.764 1.00 61.55 N ATOM 1717 CA LYS A 110 15.610 -10.447 -12.371 1.00 50.13 C ATOM 1718 C LYS A 110 14.440 -9.474 -12.273 1.00 22.31 C ATOM 1719 O LYS A 110 13.465 -9.629 -13.009 1.00 42.22 O ATOM 1720 CB LYS A 110 16.003 -10.643 -13.837 1.00 44.41 C ATOM 1721 CG LYS A 110 17.440 -10.254 -14.138 1.00 44.45 C ATOM 1722 CD LYS A 110 17.583 -8.754 -14.332 1.00 34.11 C ATOM 1723 CE LYS A 110 18.966 -8.387 -14.849 1.00 5.35 C ATOM 1724 NZ LYS A 110 18.905 -7.331 -15.896 1.00 30.41 N1+ ATOM 0 H LYS A 110 14.335 -11.772 -11.364 1.00 61.55 H new ATOM 0 HA LYS A 110 16.456 -10.026 -11.827 1.00 50.13 H new ATOM 0 HB2 LYS A 110 15.854 -11.688 -14.108 1.00 44.41 H new ATOM 0 HB3 LYS A 110 15.336 -10.053 -14.465 1.00 44.41 H new ATOM 0 HG2 LYS A 110 18.085 -10.579 -13.321 1.00 44.45 H new ATOM 0 HG3 LYS A 110 17.778 -10.772 -15.036 1.00 44.45 H new ATOM 0 HD2 LYS A 110 16.826 -8.403 -15.034 1.00 34.11 H new ATOM 0 HD3 LYS A 110 17.400 -8.245 -13.386 1.00 34.11 H new ATOM 0 HE2 LYS A 110 19.583 -8.041 -14.020 1.00 5.35 H new ATOM 0 HE3 LYS A 110 19.449 -9.275 -15.257 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 19.867 -7.109 -16.222 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 18.337 -7.670 -16.698 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 18.468 -6.474 -15.500 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.072 -28.224 -9.754 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.023 -28.144 -8.888 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.082 -28.965 -10.731 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.250 -27.288 -9.374 1.00 54.31 C HETATM 1743 C3 PLM A 200 10.953 -25.827 -9.865 1.00 13.24 C HETATM 1744 C4 PLM A 200 10.742 -24.791 -8.737 1.00 51.32 C HETATM 1745 C5 PLM A 200 12.003 -23.944 -8.480 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.704 -22.704 -7.615 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.589 -21.501 -7.995 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.435 -20.330 -7.007 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.789 -19.697 -6.632 1.00 71.14 C HETATM 1750 CA PLM A 200 13.902 -19.259 -5.157 1.00 3.31 C HETATM 1751 CB PLM A 200 15.272 -18.601 -4.910 1.00 12.32 C HETATM 1752 CC PLM A 200 15.111 -17.716 -3.512 1.00 52.33 C HETATM 1753 CD PLM A 200 15.251 -18.620 -2.272 1.00 43.24 C HETATM 1754 CE PLM A 200 16.608 -19.348 -2.231 1.00 12.22 C HETATM 1755 CF PLM A 200 16.737 -20.268 -1.003 1.00 51.53 C HETATM 1756 CG PLM A 200 17.486 -21.565 -1.339 1.00 5.21 C HETATM 0 HG3 PLM A 200 16.946 -22.106 -2.116 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.488 -21.325 -1.693 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.556 -22.187 -0.446 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.263 -19.740 -0.207 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.744 -20.509 -0.624 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.730 -19.938 -3.139 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.413 -18.613 -2.218 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.137 -18.018 -1.371 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.446 -19.355 -2.268 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.868 -16.932 -3.483 1.00 52.33 H new HETATM 0 HC1 PLM A 200 14.140 -17.222 -3.499 1.00 52.33 H new HETATM 0 HB2 PLM A 200 16.053 -19.354 -4.807 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.554 -17.961 -5.746 1.00 12.32 H new HETATM 0 HA2 PLM A 200 13.103 -18.558 -4.914 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.779 -20.122 -4.502 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.583 -20.412 -6.848 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.960 -18.830 -7.270 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.791 -19.569 -7.447 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.939 -20.684 -6.103 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.632 -21.815 -8.024 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.329 -21.164 -8.999 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.655 -22.430 -7.726 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.860 -22.950 -6.565 1.00 53.20 H new HETATM 0 H52 PLM A 200 12.756 -24.557 -7.985 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.426 -23.627 -9.433 1.00 43.34 H new HETATM 0 H42 PLM A 200 9.913 -24.134 -9.000 1.00 51.32 H new HETATM 0 H41 PLM A 200 10.461 -25.308 -7.820 1.00 51.32 H new HETATM 0 H32 PLM A 200 11.780 -25.495 -10.493 1.00 13.24 H new HETATM 0 H31 PLM A 200 10.063 -25.845 -10.493 1.00 13.24 H new HETATM 0 H22 PLM A 200 11.397 -27.295 -8.294 1.00 54.31 H new HETATM 0 H21 PLM A 200 12.174 -27.651 -9.824 1.00 54.31 H new HETATM 0 H PLM A 200 9.288 -28.510 -8.018 1.00 23.33 H new