USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 643 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 109 LYS NZ :NH3+ -172:sc= 2.26 (180deg=1.21) USER MOD Set 1.2: A 127 GLN : amide:sc= 2.72 K(o=5,f=-5.2) USER MOD Set 2.1: A 77 SER OG : rot 136:sc= 1.2 USER MOD Set 2.2: A 115 ASN : amide:sc= 0 X(o=1.2,f=1.1) USER MOD Set 3.1: A 56 ASN : amide:sc= -0.0429 X(o=-0.22,f=-0.18) USER MOD Set 3.2: A 71 ASN : amide:sc= -0.177 K(o=-0.22,f=-0.77) USER MOD Set 4.1: A 55 SER OG : rot 171:sc= 0.307 USER MOD Set 4.2: A 57 THR OG1 : rot -51:sc= 0.363 USER MOD Single : A 64 ASN : amide:sc= 0.641 K(o=0.64,f=-7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.962 K(o=0.96,f=-7.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 74 ASN : amide:sc= 0.523 K(o=0.52,f=-5.4!) USER MOD Single : A 76 MET CE :methyl 168:sc= -0.072 (180deg=-0.223) USER MOD Single : A 79 HIS :FLIP no HE2:sc= -7.33! C(o=-9!,f=-7.3!) USER MOD Single : A 81 CYS SG : rot 180:sc= -0.225 USER MOD Single : A 83 MET CE :methyl 160:sc= -0.148 (180deg=-0.635) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0326) USER MOD Single : A 92 GLN : amide:sc= -0.0764 K(o=-0.076,f=-2.8!) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot 113:sc= 0.711 USER MOD Single : A 103 HIS : no HD1:sc= 0.856 K(o=0.86,f=-7.1!) USER MOD Single : A 105 HIS : no HE2:sc= -4.04! C(o=-4!,f=-4.4!) USER MOD Single : A 106 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0327) USER MOD Single : A 108 LYS NZ :NH3+ -166:sc=-0.00489 (180deg=-0.193) USER MOD Single : A 116 THR OG1 : rot -50:sc= -0.559 USER MOD Single : A 120 SER OG : rot 57:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 55 -13.058 7.732 2.408 1.00 0.00 N ATOM 2 CA SER A 55 -12.816 7.002 1.163 1.00 0.00 C ATOM 3 C SER A 55 -12.921 5.528 1.397 1.00 0.00 C ATOM 4 O SER A 55 -13.169 5.074 2.513 1.00 0.00 O ATOM 5 CB SER A 55 -11.400 7.300 0.635 1.00 0.00 C ATOM 6 OG SER A 55 -11.307 6.965 -0.746 1.00 0.00 O ATOM 0 HA SER A 55 -13.563 7.322 0.437 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.166 8.355 0.777 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.665 6.731 1.205 1.00 0.00 H new ATOM 0 HG SER A 55 -10.455 7.291 -1.105 1.00 0.00 H new ATOM 14 N ASN A 56 -12.733 4.748 0.320 1.00 0.00 N ATOM 15 CA ASN A 56 -12.626 3.325 0.445 1.00 0.00 C ATOM 16 C ASN A 56 -11.557 2.891 -0.511 1.00 0.00 C ATOM 17 O ASN A 56 -11.529 1.749 -0.971 1.00 0.00 O ATOM 18 CB ASN A 56 -13.936 2.564 0.196 1.00 0.00 C ATOM 19 CG ASN A 56 -14.513 3.004 -1.145 1.00 0.00 C ATOM 20 OD1 ASN A 56 -15.322 3.929 -1.217 1.00 0.00 O ATOM 21 ND2 ASN A 56 -14.093 2.313 -2.236 1.00 0.00 N ATOM 0 H ASN A 56 -12.655 5.098 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.376 3.083 1.478 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -13.754 1.489 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.647 2.765 0.997 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -14.450 2.554 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -13.421 1.553 -2.131 1.00 0.00 H new ATOM 28 N THR A 57 -10.649 3.832 -0.829 1.00 0.00 N ATOM 29 CA THR A 57 -9.652 3.589 -1.828 1.00 0.00 C ATOM 30 C THR A 57 -8.370 4.187 -1.333 1.00 0.00 C ATOM 31 O THR A 57 -8.371 5.026 -0.434 1.00 0.00 O ATOM 32 CB THR A 57 -9.996 4.234 -3.182 1.00 0.00 C ATOM 33 OG1 THR A 57 -10.011 5.653 -3.069 1.00 0.00 O ATOM 34 CG2 THR A 57 -11.386 3.860 -3.701 1.00 0.00 C ATOM 0 H THR A 57 -10.604 4.755 -0.398 1.00 0.00 H new ATOM 0 HA THR A 57 -9.582 2.513 -1.989 1.00 0.00 H new ATOM 0 HB THR A 57 -9.230 3.867 -3.865 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.572 5.915 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.561 4.350 -4.659 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.448 2.779 -3.830 1.00 0.00 H new ATOM 0 HG23 THR A 57 -12.141 4.184 -2.985 1.00 0.00 H new ATOM 42 N ILE A 58 -7.242 3.747 -1.922 1.00 0.00 N ATOM 43 CA ILE A 58 -5.980 4.380 -1.663 1.00 0.00 C ATOM 44 C ILE A 58 -5.170 4.214 -2.904 1.00 0.00 C ATOM 45 O ILE A 58 -5.571 3.500 -3.825 1.00 0.00 O ATOM 46 CB ILE A 58 -5.173 3.790 -0.492 1.00 0.00 C ATOM 47 CG1 ILE A 58 -5.944 2.758 0.339 1.00 0.00 C ATOM 48 CG2 ILE A 58 -4.515 4.858 0.402 1.00 0.00 C ATOM 49 CD1 ILE A 58 -5.034 1.835 1.155 1.00 0.00 C ATOM 0 H ILE A 58 -7.201 2.961 -2.571 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.188 5.413 -1.385 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.364 3.246 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.621 3.279 1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.560 2.153 -0.326 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.963 4.370 1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.830 5.460 -0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.285 5.500 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.644 1.129 1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.374 1.287 0.482 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.436 2.431 1.845 1.00 0.00 H new ATOM 61 N ARG A 59 -3.982 4.849 -2.959 1.00 0.00 N ATOM 62 CA ARG A 59 -3.181 4.730 -4.133 1.00 0.00 C ATOM 63 C ARG A 59 -2.034 3.850 -3.794 1.00 0.00 C ATOM 64 O ARG A 59 -1.644 3.750 -2.634 1.00 0.00 O ATOM 65 CB ARG A 59 -2.629 6.077 -4.570 1.00 0.00 C ATOM 66 CG ARG A 59 -3.639 6.919 -5.348 1.00 0.00 C ATOM 67 CD ARG A 59 -4.682 7.623 -4.469 1.00 0.00 C ATOM 68 NE ARG A 59 -4.148 8.974 -4.120 1.00 0.00 N ATOM 69 CZ ARG A 59 -4.798 9.762 -3.218 1.00 0.00 C ATOM 70 NH1 ARG A 59 -5.859 9.296 -2.531 1.00 0.00 N ATOM 71 NH2 ARG A 59 -4.341 11.005 -2.948 1.00 0.00 N ATOM 0 H ARG A 59 -3.589 5.426 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.790 4.330 -4.944 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.305 6.632 -3.690 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.746 5.917 -5.189 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.100 7.670 -5.925 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.156 6.278 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.630 7.712 -4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -4.875 7.043 -3.566 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.291 9.309 -4.560 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.186 8.342 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.336 9.897 -1.859 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.507 11.356 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.830 11.592 -2.272 1.00 0.00 H new ATOM 85 N VAL A 60 -1.453 3.216 -4.825 1.00 0.00 N ATOM 86 CA VAL A 60 -0.323 2.360 -4.612 1.00 0.00 C ATOM 87 C VAL A 60 0.682 2.695 -5.659 1.00 0.00 C ATOM 88 O VAL A 60 0.493 2.384 -6.831 1.00 0.00 O ATOM 89 CB VAL A 60 -0.628 0.860 -4.693 1.00 0.00 C ATOM 90 CG1 VAL A 60 0.498 -0.017 -4.129 1.00 0.00 C ATOM 91 CG2 VAL A 60 -1.950 0.474 -4.017 1.00 0.00 C ATOM 0 H VAL A 60 -1.758 3.292 -5.795 1.00 0.00 H new ATOM 0 HA VAL A 60 0.028 2.536 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.716 0.667 -5.762 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.220 -1.067 -4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.415 0.163 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.660 0.229 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.106 -0.601 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.912 0.745 -2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.773 1.003 -4.498 1.00 0.00 H new ATOM 101 N PHE A 61 1.799 3.301 -5.222 1.00 0.00 N ATOM 102 CA PHE A 61 2.827 3.719 -6.128 1.00 0.00 C ATOM 103 C PHE A 61 3.841 2.620 -6.163 1.00 0.00 C ATOM 104 O PHE A 61 4.109 1.972 -5.148 1.00 0.00 O ATOM 105 CB PHE A 61 3.519 5.001 -5.642 1.00 0.00 C ATOM 106 CG PHE A 61 2.661 6.167 -6.010 1.00 0.00 C ATOM 107 CD1 PHE A 61 1.385 6.326 -5.452 1.00 0.00 C ATOM 108 CD2 PHE A 61 3.153 7.198 -6.798 1.00 0.00 C ATOM 109 CE1 PHE A 61 0.668 7.491 -5.634 1.00 0.00 C ATOM 110 CE2 PHE A 61 2.449 8.384 -6.939 1.00 0.00 C ATOM 111 CZ PHE A 61 1.215 8.537 -6.344 1.00 0.00 C ATOM 0 H PHE A 61 1.992 3.503 -4.241 1.00 0.00 H new ATOM 0 HA PHE A 61 2.392 3.922 -7.107 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.669 4.966 -4.563 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.505 5.096 -6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.956 5.524 -4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.097 7.075 -7.308 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.325 7.583 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 61 2.870 9.193 -7.518 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.680 9.471 -6.434 1.00 0.00 H new ATOM 121 N LEU A 62 4.445 2.359 -7.345 1.00 0.00 N ATOM 122 CA LEU A 62 5.319 1.223 -7.445 1.00 0.00 C ATOM 123 C LEU A 62 6.677 1.645 -6.956 1.00 0.00 C ATOM 124 O LEU A 62 6.973 2.837 -6.836 1.00 0.00 O ATOM 125 CB LEU A 62 5.440 0.672 -8.870 1.00 0.00 C ATOM 126 CG LEU A 62 4.331 -0.320 -9.244 1.00 0.00 C ATOM 127 CD1 LEU A 62 4.624 -1.757 -8.798 1.00 0.00 C ATOM 128 CD2 LEU A 62 2.946 0.085 -8.726 1.00 0.00 C ATOM 0 H LEU A 62 4.335 2.909 -8.197 1.00 0.00 H new ATOM 0 HA LEU A 62 4.897 0.420 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.424 1.504 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.407 0.181 -8.979 1.00 0.00 H new ATOM 0 HG LEU A 62 4.318 -0.287 -10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.799 -2.405 -9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.545 -2.103 -9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.737 -1.786 -7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.212 -0.662 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.970 0.152 -7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.670 1.054 -9.143 1.00 0.00 H new ATOM 140 N PRO A 63 7.501 0.620 -6.743 1.00 0.00 N ATOM 141 CA PRO A 63 8.818 1.060 -6.335 1.00 0.00 C ATOM 142 C PRO A 63 9.542 1.338 -7.626 1.00 0.00 C ATOM 143 O PRO A 63 10.453 0.617 -8.034 1.00 0.00 O ATOM 144 CB PRO A 63 9.439 -0.136 -5.648 1.00 0.00 C ATOM 145 CG PRO A 63 8.282 -1.036 -5.225 1.00 0.00 C ATOM 146 CD PRO A 63 7.034 -0.476 -5.908 1.00 0.00 C ATOM 0 HA PRO A 63 8.836 1.931 -5.680 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.115 -0.663 -6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.027 0.174 -4.784 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.461 -2.068 -5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.165 -1.037 -4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.539 -1.241 -6.506 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.309 -0.127 -5.173 1.00 0.00 H new ATOM 154 N ASN A 64 9.150 2.430 -8.306 1.00 0.00 N ATOM 155 CA ASN A 64 9.849 2.873 -9.474 1.00 0.00 C ATOM 156 C ASN A 64 9.272 4.207 -9.840 1.00 0.00 C ATOM 157 O ASN A 64 9.735 5.243 -9.370 1.00 0.00 O ATOM 158 CB ASN A 64 9.863 1.912 -10.690 1.00 0.00 C ATOM 159 CG ASN A 64 8.538 1.159 -10.754 1.00 0.00 C ATOM 160 OD1 ASN A 64 7.528 1.685 -11.228 1.00 0.00 O ATOM 161 ND2 ASN A 64 8.556 -0.137 -10.347 1.00 0.00 N ATOM 0 H ASN A 64 8.349 3.007 -8.048 1.00 0.00 H new ATOM 0 HA ASN A 64 10.906 2.921 -9.214 1.00 0.00 H new ATOM 0 HB2 ASN A 64 10.019 2.474 -11.611 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.690 1.208 -10.602 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.715 -0.709 -10.429 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.410 -0.538 -9.960 1.00 0.00 H new ATOM 168 N LYS A 65 8.204 4.203 -10.661 1.00 0.00 N ATOM 169 CA LYS A 65 7.577 5.435 -11.036 1.00 0.00 C ATOM 170 C LYS A 65 6.093 5.242 -10.949 1.00 0.00 C ATOM 171 O LYS A 65 5.331 6.203 -11.029 1.00 0.00 O ATOM 172 CB LYS A 65 7.889 5.857 -12.470 1.00 0.00 C ATOM 173 CG LYS A 65 9.384 5.868 -12.787 1.00 0.00 C ATOM 174 CD LYS A 65 9.720 5.187 -14.111 1.00 0.00 C ATOM 175 CE LYS A 65 9.777 3.660 -14.010 1.00 0.00 C ATOM 176 NZ LYS A 65 9.879 3.074 -15.343 1.00 0.00 N ATOM 0 H LYS A 65 7.781 3.364 -11.059 1.00 0.00 H new ATOM 0 HA LYS A 65 7.954 6.207 -10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.384 5.179 -13.158 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.480 6.852 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.736 6.899 -12.816 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.924 5.370 -11.982 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.974 5.467 -14.855 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.681 5.557 -14.468 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.633 3.359 -13.405 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.885 3.287 -13.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.917 2.038 -15.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.050 3.348 -15.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.743 3.418 -15.808 1.00 0.00 H new ATOM 190 N GLN A 66 5.637 3.975 -10.837 1.00 0.00 N ATOM 191 CA GLN A 66 4.280 3.677 -11.188 1.00 0.00 C ATOM 192 C GLN A 66 3.396 3.904 -10.025 1.00 0.00 C ATOM 193 O GLN A 66 3.830 4.330 -8.961 1.00 0.00 O ATOM 194 CB GLN A 66 4.037 2.282 -11.770 1.00 0.00 C ATOM 195 CG GLN A 66 4.154 2.220 -13.289 1.00 0.00 C ATOM 196 CD GLN A 66 2.817 2.642 -13.873 1.00 0.00 C ATOM 197 OE1 GLN A 66 1.831 1.907 -13.799 1.00 0.00 O ATOM 198 NE2 GLN A 66 2.755 3.889 -14.378 1.00 0.00 N ATOM 0 H GLN A 66 6.189 3.181 -10.514 1.00 0.00 H new ATOM 0 HA GLN A 66 4.043 4.363 -12.001 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.752 1.586 -11.331 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.043 1.945 -11.477 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.949 2.879 -13.638 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.411 1.211 -13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.596 4.464 -14.421 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.867 4.258 -14.718 1.00 0.00 H new ATOM 207 N ARG A 67 2.093 3.715 -10.295 1.00 0.00 N ATOM 208 CA ARG A 67 1.076 4.065 -9.360 1.00 0.00 C ATOM 209 C ARG A 67 -0.216 3.534 -9.889 1.00 0.00 C ATOM 210 O ARG A 67 -0.302 3.123 -11.046 1.00 0.00 O ATOM 211 CB ARG A 67 0.932 5.572 -9.161 1.00 0.00 C ATOM 212 CG ARG A 67 0.846 6.367 -10.470 1.00 0.00 C ATOM 213 CD ARG A 67 2.036 7.307 -10.687 1.00 0.00 C ATOM 214 NE ARG A 67 1.621 8.348 -11.675 1.00 0.00 N ATOM 215 CZ ARG A 67 0.806 9.374 -11.302 1.00 0.00 C ATOM 216 NH1 ARG A 67 0.446 9.538 -10.014 1.00 0.00 N ATOM 217 NH2 ARG A 67 0.398 10.280 -12.220 1.00 0.00 N ATOM 0 H ARG A 67 1.744 3.317 -11.167 1.00 0.00 H new ATOM 0 HA ARG A 67 1.346 3.641 -8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.037 5.767 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 67 1.781 5.935 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.784 5.671 -11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.075 6.951 -10.473 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.333 7.770 -9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.899 6.752 -11.056 1.00 0.00 H new ATOM 0 HE ARG A 67 1.951 8.290 -12.638 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.784 8.889 -9.303 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.165 10.311 -9.750 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.701 10.195 -13.190 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.212 11.049 -11.942 1.00 0.00 H new ATOM 231 N THR A 68 -1.238 3.520 -9.016 1.00 0.00 N ATOM 232 CA THR A 68 -2.553 3.104 -9.407 1.00 0.00 C ATOM 233 C THR A 68 -3.428 3.312 -8.212 1.00 0.00 C ATOM 234 O THR A 68 -2.938 3.641 -7.132 1.00 0.00 O ATOM 235 CB THR A 68 -2.648 1.637 -9.867 1.00 0.00 C ATOM 236 OG1 THR A 68 -3.940 1.366 -10.392 1.00 0.00 O ATOM 237 CG2 THR A 68 -2.298 0.612 -8.778 1.00 0.00 C ATOM 0 H THR A 68 -1.156 3.797 -8.038 1.00 0.00 H new ATOM 0 HA THR A 68 -2.856 3.691 -10.274 1.00 0.00 H new ATOM 0 HB THR A 68 -1.893 1.522 -10.644 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.986 0.431 -10.682 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.390 -0.396 -9.184 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.275 0.775 -8.440 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.981 0.728 -7.936 1.00 0.00 H new ATOM 245 N VAL A 69 -4.751 3.141 -8.389 1.00 0.00 N ATOM 246 CA VAL A 69 -5.650 3.257 -7.279 1.00 0.00 C ATOM 247 C VAL A 69 -6.196 1.895 -7.012 1.00 0.00 C ATOM 248 O VAL A 69 -6.439 1.114 -7.932 1.00 0.00 O ATOM 249 CB VAL A 69 -6.806 4.242 -7.504 1.00 0.00 C ATOM 250 CG1 VAL A 69 -7.453 4.126 -8.890 1.00 0.00 C ATOM 251 CG2 VAL A 69 -7.867 4.235 -6.386 1.00 0.00 C ATOM 0 H VAL A 69 -5.194 2.926 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.090 3.658 -6.434 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.323 5.218 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.261 4.852 -8.976 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.705 4.322 -9.658 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.853 3.121 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.648 4.958 -6.621 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.305 3.240 -6.306 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.399 4.502 -5.439 1.00 0.00 H new ATOM 261 N VAL A 70 -6.392 1.587 -5.720 1.00 0.00 N ATOM 262 CA VAL A 70 -6.899 0.303 -5.342 1.00 0.00 C ATOM 263 C VAL A 70 -8.074 0.538 -4.449 1.00 0.00 C ATOM 264 O VAL A 70 -8.202 1.597 -3.834 1.00 0.00 O ATOM 265 CB VAL A 70 -5.868 -0.568 -4.613 1.00 0.00 C ATOM 266 CG1 VAL A 70 -4.699 -0.989 -5.508 1.00 0.00 C ATOM 267 CG2 VAL A 70 -5.292 0.080 -3.343 1.00 0.00 C ATOM 0 H VAL A 70 -6.202 2.219 -4.942 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.168 -0.242 -6.247 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.442 -1.448 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.004 -1.603 -4.935 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.077 -1.563 -6.354 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.182 -0.101 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.571 -0.597 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.797 1.015 -3.604 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.099 0.281 -2.639 1.00 0.00 H new ATOM 277 N ASN A 71 -8.962 -0.471 -4.360 1.00 0.00 N ATOM 278 CA ASN A 71 -10.138 -0.340 -3.550 1.00 0.00 C ATOM 279 C ASN A 71 -9.937 -1.209 -2.351 1.00 0.00 C ATOM 280 O ASN A 71 -9.293 -2.255 -2.432 1.00 0.00 O ATOM 281 CB ASN A 71 -11.413 -0.817 -4.266 1.00 0.00 C ATOM 282 CG ASN A 71 -11.878 0.288 -5.206 1.00 0.00 C ATOM 283 OD1 ASN A 71 -12.790 1.051 -4.885 1.00 0.00 O ATOM 284 ND2 ASN A 71 -11.255 0.369 -6.410 1.00 0.00 N ATOM 0 H ASN A 71 -8.869 -1.366 -4.841 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.273 0.714 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -11.215 -1.732 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.192 -1.050 -3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.539 1.080 -7.084 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.503 -0.281 -6.640 1.00 0.00 H new ATOM 291 N VAL A 72 -10.498 -0.782 -1.206 1.00 0.00 N ATOM 292 CA VAL A 72 -10.367 -1.545 0.000 1.00 0.00 C ATOM 293 C VAL A 72 -11.753 -1.835 0.478 1.00 0.00 C ATOM 294 O VAL A 72 -12.627 -0.970 0.435 1.00 0.00 O ATOM 295 CB VAL A 72 -9.615 -0.787 1.101 1.00 0.00 C ATOM 296 CG1 VAL A 72 -9.274 -1.655 2.320 1.00 0.00 C ATOM 297 CG2 VAL A 72 -8.323 -0.121 0.602 1.00 0.00 C ATOM 0 H VAL A 72 -11.036 0.080 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.794 -2.448 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.321 -0.015 1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.743 -1.054 3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -10.193 -2.041 2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.643 -2.488 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.839 0.399 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.650 -0.882 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -8.563 0.594 -0.185 1.00 0.00 H new ATOM 307 N ARG A 73 -11.982 -3.079 0.939 1.00 0.00 N ATOM 308 CA ARG A 73 -13.285 -3.458 1.401 1.00 0.00 C ATOM 309 C ARG A 73 -13.151 -3.813 2.849 1.00 0.00 C ATOM 310 O ARG A 73 -12.074 -3.707 3.438 1.00 0.00 O ATOM 311 CB ARG A 73 -13.864 -4.657 0.627 1.00 0.00 C ATOM 312 CG ARG A 73 -15.399 -4.722 0.626 1.00 0.00 C ATOM 313 CD ARG A 73 -16.078 -3.380 0.324 1.00 0.00 C ATOM 314 NE ARG A 73 -16.305 -2.689 1.627 1.00 0.00 N ATOM 315 CZ ARG A 73 -16.649 -1.372 1.667 1.00 0.00 C ATOM 316 NH1 ARG A 73 -16.738 -0.647 0.536 1.00 0.00 N ATOM 317 NH2 ARG A 73 -16.860 -0.770 2.859 1.00 0.00 N ATOM 0 H ARG A 73 -11.277 -3.814 0.992 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.973 -2.628 1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.512 -4.614 -0.404 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.472 -5.578 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.721 -5.455 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.738 -5.079 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.452 -2.772 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.023 -3.537 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.201 -3.209 2.498 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.547 -1.083 -0.366 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.997 0.339 0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -16.761 -1.302 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -17.118 0.216 2.894 1.00 0.00 H new ATOM 331 N ASN A 74 -14.256 -4.288 3.458 1.00 0.00 N ATOM 332 CA ASN A 74 -14.257 -4.554 4.867 1.00 0.00 C ATOM 333 C ASN A 74 -13.616 -5.893 5.074 1.00 0.00 C ATOM 334 O ASN A 74 -14.117 -6.915 4.606 1.00 0.00 O ATOM 335 CB ASN A 74 -15.662 -4.606 5.493 1.00 0.00 C ATOM 336 CG ASN A 74 -16.465 -3.416 4.977 1.00 0.00 C ATOM 337 OD1 ASN A 74 -16.005 -2.273 5.001 1.00 0.00 O ATOM 338 ND2 ASN A 74 -17.701 -3.677 4.466 1.00 0.00 N ATOM 0 H ASN A 74 -15.137 -4.486 2.983 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.722 -3.736 5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.159 -5.540 5.232 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.594 -4.574 6.580 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.269 -2.917 4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -18.058 -4.632 4.458 1.00 0.00 H new ATOM 345 N GLY A 75 -12.472 -5.904 5.783 1.00 0.00 N ATOM 346 CA GLY A 75 -11.828 -7.144 6.116 1.00 0.00 C ATOM 347 C GLY A 75 -10.732 -7.368 5.127 1.00 0.00 C ATOM 348 O GLY A 75 -10.291 -8.496 4.922 1.00 0.00 O ATOM 0 H GLY A 75 -11.996 -5.068 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.427 -7.106 7.129 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.543 -7.966 6.087 1.00 0.00 H new ATOM 352 N MET A 76 -10.235 -6.277 4.511 1.00 0.00 N ATOM 353 CA MET A 76 -9.160 -6.400 3.573 1.00 0.00 C ATOM 354 C MET A 76 -7.897 -6.063 4.289 1.00 0.00 C ATOM 355 O MET A 76 -7.904 -5.445 5.354 1.00 0.00 O ATOM 356 CB MET A 76 -9.289 -5.467 2.363 1.00 0.00 C ATOM 357 CG MET A 76 -10.271 -5.984 1.313 1.00 0.00 C ATOM 358 SD MET A 76 -9.842 -5.307 -0.323 1.00 0.00 S ATOM 359 CE MET A 76 -8.432 -6.383 -0.740 1.00 0.00 C ATOM 0 H MET A 76 -10.571 -5.325 4.659 1.00 0.00 H new ATOM 0 HA MET A 76 -9.174 -7.420 3.189 1.00 0.00 H new ATOM 0 HB2 MET A 76 -9.613 -4.483 2.703 1.00 0.00 H new ATOM 0 HB3 MET A 76 -8.309 -5.339 1.904 1.00 0.00 H new ATOM 0 HG2 MET A 76 -10.245 -7.073 1.284 1.00 0.00 H new ATOM 0 HG3 MET A 76 -11.288 -5.696 1.580 1.00 0.00 H new ATOM 0 HE1 MET A 76 -8.176 -6.257 -1.792 1.00 0.00 H new ATOM 0 HE2 MET A 76 -7.574 -6.114 -0.123 1.00 0.00 H new ATOM 0 HE3 MET A 76 -8.701 -7.423 -0.554 1.00 0.00 H new ATOM 369 N SER A 77 -6.767 -6.434 3.667 1.00 0.00 N ATOM 370 CA SER A 77 -5.487 -6.206 4.269 1.00 0.00 C ATOM 371 C SER A 77 -4.640 -5.558 3.261 1.00 0.00 C ATOM 372 O SER A 77 -4.904 -5.759 2.101 1.00 0.00 O ATOM 373 CB SER A 77 -4.688 -7.477 4.533 1.00 0.00 C ATOM 374 OG SER A 77 -5.506 -8.467 5.139 1.00 0.00 O ATOM 0 H SER A 77 -6.735 -6.889 2.754 1.00 0.00 H new ATOM 0 HA SER A 77 -5.692 -5.662 5.191 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.281 -7.858 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.841 -7.252 5.181 1.00 0.00 H new ATOM 0 HG SER A 77 -5.336 -9.335 4.717 1.00 0.00 H new ATOM 380 N LEU A 78 -3.430 -5.172 3.713 1.00 0.00 N ATOM 381 CA LEU A 78 -2.392 -4.705 2.846 1.00 0.00 C ATOM 382 C LEU A 78 -1.994 -5.831 1.928 1.00 0.00 C ATOM 383 O LEU A 78 -1.918 -5.661 0.724 1.00 0.00 O ATOM 384 CB LEU A 78 -1.186 -4.319 3.708 1.00 0.00 C ATOM 385 CG LEU A 78 -1.098 -2.825 4.000 1.00 0.00 C ATOM 386 CD1 LEU A 78 -0.820 -1.998 2.782 1.00 0.00 C ATOM 387 CD2 LEU A 78 -2.417 -2.197 4.416 1.00 0.00 C ATOM 0 H LEU A 78 -3.169 -5.185 4.699 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.732 -3.849 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.235 -4.863 4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.273 -4.637 3.204 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.322 -2.810 4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.770 -0.945 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.131 -2.303 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.618 -2.143 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.270 -1.134 4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.149 -2.326 3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.780 -2.680 5.323 1.00 0.00 H new ATOM 399 N HIS A 79 -1.753 -7.032 2.489 1.00 0.00 N ATOM 400 CA HIS A 79 -1.202 -8.118 1.721 1.00 0.00 C ATOM 401 C HIS A 79 -2.306 -8.757 0.913 1.00 0.00 C ATOM 402 O HIS A 79 -2.092 -9.762 0.249 1.00 0.00 O ATOM 403 CB HIS A 79 -0.665 -9.231 2.640 1.00 0.00 C ATOM 404 CG HIS A 79 0.808 -9.485 2.493 1.00 0.00 C ATOM 405 ND1 HIS A 79 1.688 -9.997 3.374 1.00 0.00 N flip ATOM 406 CD2 HIS A 79 1.497 -9.235 1.337 1.00 0.00 C flip ATOM 407 CE1 HIS A 79 2.909 -10.029 2.759 1.00 0.00 C flip ATOM 408 NE2 HIS A 79 2.774 -9.521 1.547 1.00 0.00 N flip ATOM 0 H HIS A 79 -1.937 -7.254 3.467 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.404 -7.710 1.101 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.876 -8.966 3.676 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.205 -10.154 2.430 1.00 0.00 H new ATOM 0 HD1 HIS A 79 1.482 -10.304 4.325 1.00 0.00 H new ATOM 0 HD2 HIS A 79 1.073 -8.868 0.414 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.825 -10.405 3.190 1.00 0.00 H new ATOM 417 N ASP A 80 -3.559 -8.293 1.067 1.00 0.00 N ATOM 418 CA ASP A 80 -4.623 -8.783 0.234 1.00 0.00 C ATOM 419 C ASP A 80 -4.986 -7.671 -0.700 1.00 0.00 C ATOM 420 O ASP A 80 -5.590 -7.889 -1.747 1.00 0.00 O ATOM 421 CB ASP A 80 -5.876 -9.135 1.044 1.00 0.00 C ATOM 422 CG ASP A 80 -5.534 -10.288 1.976 1.00 0.00 C ATOM 423 OD1 ASP A 80 -5.301 -11.413 1.465 1.00 0.00 O ATOM 424 OD2 ASP A 80 -5.520 -10.057 3.216 1.00 0.00 O ATOM 0 H ASP A 80 -3.837 -7.592 1.754 1.00 0.00 H new ATOM 0 HA ASP A 80 -4.286 -9.685 -0.277 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -6.213 -8.271 1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.693 -9.414 0.378 1.00 0.00 H new ATOM 429 N CYS A 81 -4.568 -6.452 -0.325 1.00 0.00 N ATOM 430 CA CYS A 81 -4.943 -5.264 -1.028 1.00 0.00 C ATOM 431 C CYS A 81 -3.886 -5.003 -2.062 1.00 0.00 C ATOM 432 O CYS A 81 -4.169 -4.574 -3.179 1.00 0.00 O ATOM 433 CB CYS A 81 -4.899 -4.141 0.021 1.00 0.00 C ATOM 434 SG CYS A 81 -5.209 -2.518 -0.757 1.00 0.00 S ATOM 0 H CYS A 81 -3.961 -6.286 0.478 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.921 -5.337 -1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.645 -4.328 0.793 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -3.926 -4.134 0.513 1.00 0.00 H new ATOM 0 HG CYS A 81 -5.169 -1.587 0.150 1.00 0.00 H new ATOM 440 N LEU A 82 -2.629 -5.267 -1.684 1.00 0.00 N ATOM 441 CA LEU A 82 -1.502 -4.880 -2.483 1.00 0.00 C ATOM 442 C LEU A 82 -1.120 -6.047 -3.295 1.00 0.00 C ATOM 443 O LEU A 82 -0.653 -5.906 -4.415 1.00 0.00 O ATOM 444 CB LEU A 82 -0.295 -4.644 -1.587 1.00 0.00 C ATOM 445 CG LEU A 82 -0.379 -3.357 -0.773 1.00 0.00 C ATOM 446 CD1 LEU A 82 0.693 -2.333 -1.153 1.00 0.00 C ATOM 447 CD2 LEU A 82 -1.732 -2.650 -0.880 1.00 0.00 C ATOM 0 H LEU A 82 -2.385 -5.751 -0.820 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.763 -3.995 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.189 -5.488 -0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.604 -4.616 -2.203 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.225 -3.702 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.578 -1.441 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.681 -2.763 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.584 -2.065 -2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.718 -1.743 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.925 -2.389 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.519 -3.313 -0.520 1.00 0.00 H new ATOM 459 N MET A 83 -1.257 -7.232 -2.688 1.00 0.00 N ATOM 460 CA MET A 83 -0.998 -8.468 -3.362 1.00 0.00 C ATOM 461 C MET A 83 -1.875 -8.522 -4.565 1.00 0.00 C ATOM 462 O MET A 83 -1.532 -9.201 -5.512 1.00 0.00 O ATOM 463 CB MET A 83 -1.436 -9.553 -2.391 1.00 0.00 C ATOM 464 CG MET A 83 -1.673 -10.921 -3.024 1.00 0.00 C ATOM 465 SD MET A 83 -0.076 -11.733 -3.350 1.00 0.00 S ATOM 466 CE MET A 83 0.389 -12.184 -1.647 1.00 0.00 C ATOM 0 H MET A 83 -1.551 -7.340 -1.717 1.00 0.00 H new ATOM 0 HA MET A 83 0.045 -8.580 -3.660 1.00 0.00 H new ATOM 0 HB2 MET A 83 -0.677 -9.654 -1.615 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.354 -9.232 -1.899 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.277 -11.539 -2.360 1.00 0.00 H new ATOM 0 HG3 MET A 83 -2.232 -10.810 -3.953 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.135 -12.979 -1.672 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.804 -11.313 -1.140 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.493 -12.531 -1.109 1.00 0.00 H new ATOM 476 N LYS A 84 -2.985 -7.768 -4.520 1.00 0.00 N ATOM 477 CA LYS A 84 -3.874 -7.669 -5.624 1.00 0.00 C ATOM 478 C LYS A 84 -3.264 -6.726 -6.637 1.00 0.00 C ATOM 479 O LYS A 84 -3.312 -6.983 -7.836 1.00 0.00 O ATOM 480 CB LYS A 84 -5.169 -7.131 -5.035 1.00 0.00 C ATOM 481 CG LYS A 84 -6.007 -6.325 -6.009 1.00 0.00 C ATOM 482 CD LYS A 84 -5.602 -4.853 -6.093 1.00 0.00 C ATOM 483 CE LYS A 84 -5.559 -4.310 -7.524 1.00 0.00 C ATOM 484 NZ LYS A 84 -6.912 -4.212 -8.062 1.00 0.00 N ATOM 0 H LYS A 84 -3.266 -7.222 -3.706 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.059 -8.612 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -5.763 -7.968 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.932 -6.506 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -5.928 -6.772 -7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.054 -6.389 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -6.303 -4.258 -5.508 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.620 -4.728 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.082 -3.330 -7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.956 -4.965 -8.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.873 -3.843 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.353 -5.154 -8.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.475 -3.569 -7.469 1.00 0.00 H new ATOM 498 N ALA A 85 -2.632 -5.629 -6.166 1.00 0.00 N ATOM 499 CA ALA A 85 -2.095 -4.635 -7.066 1.00 0.00 C ATOM 500 C ALA A 85 -0.903 -5.214 -7.762 1.00 0.00 C ATOM 501 O ALA A 85 -0.714 -5.023 -8.956 1.00 0.00 O ATOM 502 CB ALA A 85 -1.574 -3.492 -6.169 1.00 0.00 C ATOM 0 H ALA A 85 -2.492 -5.428 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 85 -2.841 -4.307 -7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.153 -2.703 -6.792 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -2.397 -3.088 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.804 -3.876 -5.500 1.00 0.00 H new ATOM 508 N LEU A 86 -0.046 -5.904 -6.997 1.00 0.00 N ATOM 509 CA LEU A 86 1.232 -6.325 -7.492 1.00 0.00 C ATOM 510 C LEU A 86 1.038 -7.631 -8.137 1.00 0.00 C ATOM 511 O LEU A 86 1.885 -8.090 -8.881 1.00 0.00 O ATOM 512 CB LEU A 86 2.127 -6.552 -6.295 1.00 0.00 C ATOM 513 CG LEU A 86 2.242 -5.302 -5.431 1.00 0.00 C ATOM 514 CD1 LEU A 86 2.230 -5.584 -3.961 1.00 0.00 C ATOM 515 CD2 LEU A 86 3.188 -4.256 -6.002 1.00 0.00 C ATOM 0 H LEU A 86 -0.234 -6.174 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 86 1.656 -5.592 -8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.732 -7.373 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.118 -6.852 -6.634 1.00 0.00 H new ATOM 0 HG LEU A 86 1.308 -4.745 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.315 -4.647 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.296 -6.079 -3.693 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.069 -6.232 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.222 -3.394 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.187 -4.681 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.834 -3.943 -6.984 1.00 0.00 H new ATOM 527 N LYS A 87 -0.084 -8.274 -7.794 1.00 0.00 N ATOM 528 CA LYS A 87 -0.489 -9.481 -8.462 1.00 0.00 C ATOM 529 C LYS A 87 -0.631 -9.166 -9.923 1.00 0.00 C ATOM 530 O LYS A 87 -0.145 -9.907 -10.776 1.00 0.00 O ATOM 531 CB LYS A 87 -1.899 -9.899 -8.038 1.00 0.00 C ATOM 532 CG LYS A 87 -1.997 -11.344 -7.568 1.00 0.00 C ATOM 533 CD LYS A 87 -2.623 -12.269 -8.616 1.00 0.00 C ATOM 534 CE LYS A 87 -2.667 -13.739 -8.189 1.00 0.00 C ATOM 535 NZ LYS A 87 -3.607 -13.912 -7.086 1.00 0.00 N ATOM 0 H LYS A 87 -0.717 -7.966 -7.056 1.00 0.00 H new ATOM 0 HA LYS A 87 0.243 -10.255 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.237 -9.242 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.579 -9.753 -8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.001 -11.708 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.590 -11.384 -6.654 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.637 -11.930 -8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.059 -12.186 -9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.965 -14.362 -9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.673 -14.068 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -3.707 -14.925 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.252 -13.412 -6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.533 -13.523 -7.355 1.00 0.00 H new ATOM 549 N VAL A 88 -1.350 -8.059 -10.193 1.00 0.00 N ATOM 550 CA VAL A 88 -1.628 -7.606 -11.531 1.00 0.00 C ATOM 551 C VAL A 88 -0.319 -7.420 -12.250 1.00 0.00 C ATOM 552 O VAL A 88 -0.216 -7.648 -13.453 1.00 0.00 O ATOM 553 CB VAL A 88 -2.290 -6.221 -11.449 1.00 0.00 C ATOM 554 CG1 VAL A 88 -2.507 -5.535 -12.798 1.00 0.00 C ATOM 555 CG2 VAL A 88 -3.586 -6.201 -10.649 1.00 0.00 C ATOM 0 H VAL A 88 -1.749 -7.463 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.268 -8.325 -12.042 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.545 -5.639 -10.905 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.979 -4.565 -12.641 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.546 -5.396 -13.294 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.151 -6.155 -13.422 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.991 -5.189 -10.638 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.308 -6.876 -11.109 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.388 -6.524 -9.627 1.00 0.00 H new ATOM 565 N ARG A 89 0.707 -6.984 -11.501 1.00 0.00 N ATOM 566 CA ARG A 89 1.932 -6.547 -12.096 1.00 0.00 C ATOM 567 C ARG A 89 2.847 -7.730 -12.189 1.00 0.00 C ATOM 568 O ARG A 89 3.659 -7.831 -13.106 1.00 0.00 O ATOM 569 CB ARG A 89 2.533 -5.498 -11.164 1.00 0.00 C ATOM 570 CG ARG A 89 1.559 -4.354 -10.864 1.00 0.00 C ATOM 571 CD ARG A 89 1.971 -3.028 -11.501 1.00 0.00 C ATOM 572 NE ARG A 89 1.015 -1.984 -11.029 1.00 0.00 N ATOM 573 CZ ARG A 89 1.003 -0.750 -11.602 1.00 0.00 C ATOM 574 NH1 ARG A 89 1.734 -0.494 -12.704 1.00 0.00 N ATOM 575 NH2 ARG A 89 0.201 0.218 -11.107 1.00 0.00 N ATOM 0 H ARG A 89 0.690 -6.933 -10.482 1.00 0.00 H new ATOM 0 HA ARG A 89 1.780 -6.127 -13.090 1.00 0.00 H new ATOM 0 HB2 ARG A 89 2.829 -5.974 -10.229 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.438 -5.092 -11.615 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.566 -4.628 -11.221 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.484 -4.223 -9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 89 2.991 -2.768 -11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.950 -3.103 -12.588 1.00 0.00 H new ATOM 0 HE ARG A 89 0.366 -2.197 -10.271 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.306 -1.230 -13.119 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.716 0.436 -13.123 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.396 0.024 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.193 1.143 -11.537 1.00 0.00 H new ATOM 589 N GLY A 90 2.736 -8.647 -11.211 1.00 0.00 N ATOM 590 CA GLY A 90 3.559 -9.823 -11.196 1.00 0.00 C ATOM 591 C GLY A 90 4.699 -9.557 -10.267 1.00 0.00 C ATOM 592 O GLY A 90 5.811 -10.034 -10.481 1.00 0.00 O ATOM 0 H GLY A 90 2.080 -8.578 -10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.986 -10.688 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.924 -10.049 -12.198 1.00 0.00 H new ATOM 596 N LEU A 91 4.434 -8.787 -9.193 1.00 0.00 N ATOM 597 CA LEU A 91 5.485 -8.380 -8.306 1.00 0.00 C ATOM 598 C LEU A 91 5.297 -9.121 -7.017 1.00 0.00 C ATOM 599 O LEU A 91 4.246 -9.709 -6.763 1.00 0.00 O ATOM 600 CB LEU A 91 5.446 -6.874 -7.995 1.00 0.00 C ATOM 601 CG LEU A 91 5.950 -5.981 -9.137 1.00 0.00 C ATOM 602 CD1 LEU A 91 6.761 -4.777 -8.641 1.00 0.00 C ATOM 603 CD2 LEU A 91 6.747 -6.735 -10.205 1.00 0.00 C ATOM 0 H LEU A 91 3.505 -8.450 -8.940 1.00 0.00 H new ATOM 0 HA LEU A 91 6.440 -8.597 -8.785 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.422 -6.591 -7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.048 -6.682 -7.107 1.00 0.00 H new ATOM 0 HG LEU A 91 5.037 -5.614 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.090 -4.184 -9.494 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.139 -4.163 -7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.631 -5.128 -8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 91 7.069 -6.038 -10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.621 -7.199 -9.747 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.119 -7.506 -10.651 1.00 0.00 H new ATOM 615 N GLN A 92 6.325 -9.065 -6.144 1.00 0.00 N ATOM 616 CA GLN A 92 6.272 -9.778 -4.900 1.00 0.00 C ATOM 617 C GLN A 92 5.984 -8.773 -3.818 1.00 0.00 C ATOM 618 O GLN A 92 6.606 -7.711 -3.750 1.00 0.00 O ATOM 619 CB GLN A 92 7.594 -10.482 -4.562 1.00 0.00 C ATOM 620 CG GLN A 92 8.084 -11.423 -5.670 1.00 0.00 C ATOM 621 CD GLN A 92 9.331 -12.144 -5.164 1.00 0.00 C ATOM 622 OE1 GLN A 92 9.832 -11.865 -4.075 1.00 0.00 O ATOM 623 NE2 GLN A 92 9.882 -13.107 -5.966 1.00 0.00 N ATOM 0 H GLN A 92 7.182 -8.533 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 92 5.503 -10.547 -4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.359 -9.730 -4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.469 -11.051 -3.641 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.307 -12.143 -5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.311 -10.859 -6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.455 -13.327 -6.866 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.719 -13.605 -5.664 1.00 0.00 H new ATOM 632 N PRO A 93 5.104 -9.199 -2.922 1.00 0.00 N ATOM 633 CA PRO A 93 4.803 -8.171 -1.946 1.00 0.00 C ATOM 634 C PRO A 93 5.555 -8.590 -0.710 1.00 0.00 C ATOM 635 O PRO A 93 5.938 -7.754 0.104 1.00 0.00 O ATOM 636 CB PRO A 93 3.322 -8.312 -1.661 1.00 0.00 C ATOM 637 CG PRO A 93 2.932 -9.702 -2.143 1.00 0.00 C ATOM 638 CD PRO A 93 3.968 -10.063 -3.199 1.00 0.00 C ATOM 0 HA PRO A 93 5.057 -7.159 -2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 93 3.117 -8.196 -0.597 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.750 -7.544 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 93 2.939 -10.420 -1.323 1.00 0.00 H new ATOM 0 HG3 PRO A 93 1.925 -9.706 -2.561 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.247 -11.115 -3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 93 3.581 -9.897 -4.204 1.00 0.00 H new ATOM 646 N GLU A 94 5.824 -9.903 -0.547 1.00 0.00 N ATOM 647 CA GLU A 94 6.308 -10.404 0.711 1.00 0.00 C ATOM 648 C GLU A 94 7.757 -10.028 0.846 1.00 0.00 C ATOM 649 O GLU A 94 8.328 -10.110 1.931 1.00 0.00 O ATOM 650 CB GLU A 94 6.217 -11.933 0.841 1.00 0.00 C ATOM 651 CG GLU A 94 4.807 -12.492 0.598 1.00 0.00 C ATOM 652 CD GLU A 94 4.667 -12.842 -0.881 1.00 0.00 C ATOM 653 OE1 GLU A 94 5.466 -12.315 -1.702 1.00 0.00 O ATOM 654 OE2 GLU A 94 3.714 -13.590 -1.218 1.00 0.00 O ATOM 0 H GLU A 94 5.709 -10.609 -1.274 1.00 0.00 H new ATOM 0 HA GLU A 94 5.679 -9.966 1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.907 -12.390 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.546 -12.224 1.838 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.640 -13.376 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.055 -11.757 0.885 1.00 0.00 H new ATOM 661 N CYS A 95 8.382 -9.596 -0.266 1.00 0.00 N ATOM 662 CA CYS A 95 9.782 -9.287 -0.243 1.00 0.00 C ATOM 663 C CYS A 95 9.916 -7.792 -0.154 1.00 0.00 C ATOM 664 O CYS A 95 11.010 -7.242 -0.287 1.00 0.00 O ATOM 665 CB CYS A 95 10.488 -9.761 -1.522 1.00 0.00 C ATOM 666 SG CYS A 95 12.228 -10.165 -1.156 1.00 0.00 S ATOM 0 H CYS A 95 7.927 -9.462 -1.169 1.00 0.00 H new ATOM 0 HA CYS A 95 10.242 -9.793 0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.979 -10.636 -1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 95 10.439 -8.984 -2.285 1.00 0.00 H new ATOM 0 HG CYS A 95 12.818 -10.567 -2.242 1.00 0.00 H new ATOM 672 N CYS A 96 8.797 -7.089 0.110 1.00 0.00 N ATOM 673 CA CYS A 96 8.811 -5.659 0.035 1.00 0.00 C ATOM 674 C CYS A 96 8.177 -5.129 1.287 1.00 0.00 C ATOM 675 O CYS A 96 7.589 -5.875 2.072 1.00 0.00 O ATOM 676 CB CYS A 96 7.961 -5.160 -1.141 1.00 0.00 C ATOM 677 SG CYS A 96 8.768 -5.599 -2.716 1.00 0.00 S ATOM 0 H CYS A 96 7.900 -7.500 0.370 1.00 0.00 H new ATOM 0 HA CYS A 96 9.841 -5.325 -0.091 1.00 0.00 H new ATOM 0 HB2 CYS A 96 6.966 -5.602 -1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 96 7.833 -4.080 -1.076 1.00 0.00 H new ATOM 0 HG CYS A 96 8.047 -6.482 -3.342 1.00 0.00 H new ATOM 683 N ALA A 97 8.282 -3.798 1.474 1.00 0.00 N ATOM 684 CA ALA A 97 7.603 -3.137 2.549 1.00 0.00 C ATOM 685 C ALA A 97 6.711 -2.120 1.921 1.00 0.00 C ATOM 686 O ALA A 97 7.108 -1.409 1.003 1.00 0.00 O ATOM 687 CB ALA A 97 8.517 -2.386 3.533 1.00 0.00 C ATOM 0 H ALA A 97 8.837 -3.180 0.881 1.00 0.00 H new ATOM 0 HA ALA A 97 7.092 -3.907 3.127 1.00 0.00 H new ATOM 0 HB1 ALA A 97 7.910 -1.920 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 97 9.214 -3.088 3.990 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.075 -1.618 2.998 1.00 0.00 H new ATOM 693 N VAL A 98 5.476 -2.018 2.434 1.00 0.00 N ATOM 694 CA VAL A 98 4.565 -1.019 1.962 1.00 0.00 C ATOM 695 C VAL A 98 4.607 0.109 2.946 1.00 0.00 C ATOM 696 O VAL A 98 4.901 -0.078 4.129 1.00 0.00 O ATOM 697 CB VAL A 98 3.134 -1.558 1.839 1.00 0.00 C ATOM 698 CG1 VAL A 98 2.726 -2.441 3.014 1.00 0.00 C ATOM 699 CG2 VAL A 98 2.065 -0.479 1.646 1.00 0.00 C ATOM 0 H VAL A 98 5.107 -2.620 3.170 1.00 0.00 H new ATOM 0 HA VAL A 98 4.861 -0.694 0.965 1.00 0.00 H new ATOM 0 HB VAL A 98 3.175 -2.157 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 98 1.704 -2.791 2.868 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.398 -3.297 3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.784 -1.866 3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 98 1.084 -0.948 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.076 0.200 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.273 0.080 0.734 1.00 0.00 H new ATOM 709 N PHE A 99 4.309 1.321 2.453 1.00 0.00 N ATOM 710 CA PHE A 99 4.475 2.504 3.239 1.00 0.00 C ATOM 711 C PHE A 99 3.350 3.419 2.900 1.00 0.00 C ATOM 712 O PHE A 99 2.755 3.326 1.826 1.00 0.00 O ATOM 713 CB PHE A 99 5.730 3.301 2.857 1.00 0.00 C ATOM 714 CG PHE A 99 6.925 2.574 3.367 1.00 0.00 C ATOM 715 CD1 PHE A 99 7.496 1.543 2.641 1.00 0.00 C ATOM 716 CD2 PHE A 99 7.636 3.036 4.481 1.00 0.00 C ATOM 717 CE1 PHE A 99 8.818 1.198 2.834 1.00 0.00 C ATOM 718 CE2 PHE A 99 8.945 2.680 4.684 1.00 0.00 C ATOM 719 CZ PHE A 99 9.565 1.855 3.785 1.00 0.00 C ATOM 0 H PHE A 99 3.953 1.484 1.511 1.00 0.00 H new ATOM 0 HA PHE A 99 4.530 2.193 4.282 1.00 0.00 H new ATOM 0 HB2 PHE A 99 5.790 3.417 1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.686 4.303 3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.902 1.004 1.918 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.146 3.684 5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.265 0.414 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.482 3.048 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 99 10.636 1.720 3.822 1.00 0.00 H new ATOM 729 N ARG A 100 3.132 4.415 3.773 1.00 0.00 N ATOM 730 CA ARG A 100 2.341 5.541 3.416 1.00 0.00 C ATOM 731 C ARG A 100 3.309 6.668 3.221 1.00 0.00 C ATOM 732 O ARG A 100 4.355 6.725 3.870 1.00 0.00 O ATOM 733 CB ARG A 100 1.321 5.828 4.506 1.00 0.00 C ATOM 734 CG ARG A 100 1.077 7.308 4.777 1.00 0.00 C ATOM 735 CD ARG A 100 0.144 7.526 5.966 1.00 0.00 C ATOM 736 NE ARG A 100 -0.625 8.785 5.733 1.00 0.00 N ATOM 737 CZ ARG A 100 -0.140 9.996 6.119 1.00 0.00 C ATOM 738 NH1 ARG A 100 0.981 10.089 6.859 1.00 0.00 N ATOM 739 NH2 ARG A 100 -0.840 11.112 5.825 1.00 0.00 N ATOM 0 H ARG A 100 3.503 4.438 4.723 1.00 0.00 H new ATOM 0 HA ARG A 100 1.764 5.379 2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 100 0.375 5.362 4.231 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.653 5.354 5.429 1.00 0.00 H new ATOM 0 HG2 ARG A 100 2.029 7.803 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.648 7.773 3.889 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -0.535 6.681 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 100 0.717 7.596 6.891 1.00 0.00 H new ATOM 0 HE ARG A 100 -1.535 8.736 5.274 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.479 9.244 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.332 11.004 7.140 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.723 11.042 5.319 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -0.486 12.026 6.109 1.00 0.00 H new ATOM 753 N LEU A 101 2.999 7.568 2.279 1.00 0.00 N ATOM 754 CA LEU A 101 3.974 8.505 1.807 1.00 0.00 C ATOM 755 C LEU A 101 4.101 9.598 2.820 1.00 0.00 C ATOM 756 O LEU A 101 3.324 9.701 3.769 1.00 0.00 O ATOM 757 CB LEU A 101 3.552 9.125 0.467 1.00 0.00 C ATOM 758 CG LEU A 101 3.736 8.179 -0.722 1.00 0.00 C ATOM 759 CD1 LEU A 101 2.846 6.943 -0.653 1.00 0.00 C ATOM 760 CD2 LEU A 101 3.492 8.847 -2.080 1.00 0.00 C ATOM 0 H LEU A 101 2.081 7.651 1.843 1.00 0.00 H new ATOM 0 HA LEU A 101 4.920 7.983 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.505 9.424 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.133 10.031 0.295 1.00 0.00 H new ATOM 0 HG LEU A 101 4.783 7.884 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.027 6.315 -1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.074 6.380 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.800 7.248 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.640 8.117 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.471 9.226 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.191 9.673 -2.210 1.00 0.00 H new ATOM 772 N LEU A 102 5.112 10.459 2.612 1.00 0.00 N ATOM 773 CA LEU A 102 5.459 11.445 3.585 1.00 0.00 C ATOM 774 C LEU A 102 4.633 12.669 3.323 1.00 0.00 C ATOM 775 O LEU A 102 5.020 13.563 2.574 1.00 0.00 O ATOM 776 CB LEU A 102 6.952 11.784 3.572 1.00 0.00 C ATOM 777 CG LEU A 102 7.661 11.412 2.265 1.00 0.00 C ATOM 778 CD1 LEU A 102 7.066 12.113 1.044 1.00 0.00 C ATOM 779 CD2 LEU A 102 9.169 11.673 2.300 1.00 0.00 C ATOM 0 H LEU A 102 5.688 10.472 1.771 1.00 0.00 H new ATOM 0 HA LEU A 102 5.251 11.046 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.074 12.853 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.439 11.267 4.398 1.00 0.00 H new ATOM 0 HG LEU A 102 7.497 10.339 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.610 11.810 0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.016 11.837 0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 102 7.147 13.193 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.610 11.388 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 102 9.351 12.732 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.622 11.085 3.098 1.00 0.00 H new ATOM 791 N HIS A 103 3.479 12.767 4.012 1.00 0.00 N ATOM 792 CA HIS A 103 2.639 13.918 3.862 1.00 0.00 C ATOM 793 C HIS A 103 2.868 14.798 5.056 1.00 0.00 C ATOM 794 O HIS A 103 2.466 15.959 5.073 1.00 0.00 O ATOM 795 CB HIS A 103 1.148 13.564 3.788 1.00 0.00 C ATOM 796 CG HIS A 103 0.826 12.623 2.665 1.00 0.00 C ATOM 797 ND1 HIS A 103 0.540 11.302 2.876 1.00 0.00 N ATOM 798 CD2 HIS A 103 0.791 12.828 1.332 1.00 0.00 C ATOM 799 CE1 HIS A 103 0.338 10.726 1.700 1.00 0.00 C ATOM 800 NE2 HIS A 103 0.482 11.633 0.746 1.00 0.00 N ATOM 0 H HIS A 103 3.132 12.062 4.662 1.00 0.00 H new ATOM 0 HA HIS A 103 2.895 14.411 2.924 1.00 0.00 H new ATOM 0 HB2 HIS A 103 0.839 13.114 4.732 1.00 0.00 H new ATOM 0 HB3 HIS A 103 0.568 14.479 3.666 1.00 0.00 H new ATOM 0 HD2 HIS A 103 0.973 13.763 0.823 1.00 0.00 H new ATOM 0 HE1 HIS A 103 0.095 9.685 1.545 1.00 0.00 H new ATOM 0 HE2 HIS A 103 0.380 11.468 -0.255 1.00 0.00 H new ATOM 809 N GLU A 104 3.519 14.247 6.101 1.00 0.00 N ATOM 810 CA GLU A 104 3.797 15.022 7.276 1.00 0.00 C ATOM 811 C GLU A 104 5.183 14.666 7.723 1.00 0.00 C ATOM 812 O GLU A 104 5.511 14.745 8.907 1.00 0.00 O ATOM 813 CB GLU A 104 2.841 14.738 8.451 1.00 0.00 C ATOM 814 CG GLU A 104 1.354 14.798 8.070 1.00 0.00 C ATOM 815 CD GLU A 104 0.938 13.446 7.494 1.00 0.00 C ATOM 816 OE1 GLU A 104 1.685 12.437 7.656 1.00 0.00 O ATOM 817 OE2 GLU A 104 -0.143 13.380 6.851 1.00 0.00 O ATOM 0 H GLU A 104 3.848 13.282 6.134 1.00 0.00 H new ATOM 0 HA GLU A 104 3.676 16.073 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 104 3.063 13.751 8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.032 15.460 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.750 15.037 8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.183 15.588 7.339 1.00 0.00 H new ATOM 824 N HIS A 105 6.026 14.198 6.782 1.00 0.00 N ATOM 825 CA HIS A 105 7.364 13.815 7.131 1.00 0.00 C ATOM 826 C HIS A 105 8.232 14.168 5.966 1.00 0.00 C ATOM 827 O HIS A 105 7.746 14.624 4.934 1.00 0.00 O ATOM 828 CB HIS A 105 7.547 12.311 7.437 1.00 0.00 C ATOM 829 CG HIS A 105 6.264 11.532 7.432 1.00 0.00 C ATOM 830 ND1 HIS A 105 5.287 11.716 8.373 1.00 0.00 N ATOM 831 CD2 HIS A 105 5.877 10.491 6.667 1.00 0.00 C ATOM 832 CE1 HIS A 105 4.295 10.876 8.118 1.00 0.00 C ATOM 833 NE2 HIS A 105 4.626 10.125 7.079 1.00 0.00 N ATOM 0 H HIS A 105 5.789 14.086 5.796 1.00 0.00 H new ATOM 0 HA HIS A 105 7.624 14.339 8.051 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.226 11.880 6.701 1.00 0.00 H new ATOM 0 HB3 HIS A 105 8.023 12.203 8.412 1.00 0.00 H new ATOM 0 HD1 HIS A 105 5.318 12.387 9.141 1.00 0.00 H new ATOM 0 HD2 HIS A 105 6.450 10.031 5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 105 3.368 10.814 8.668 1.00 0.00 H new ATOM 842 N LYS A 106 9.557 13.985 6.120 1.00 0.00 N ATOM 843 CA LYS A 106 10.447 14.198 5.021 1.00 0.00 C ATOM 844 C LYS A 106 11.595 13.260 5.197 1.00 0.00 C ATOM 845 O LYS A 106 12.075 13.050 6.310 1.00 0.00 O ATOM 846 CB LYS A 106 11.014 15.619 5.000 1.00 0.00 C ATOM 847 CG LYS A 106 10.218 16.583 4.116 1.00 0.00 C ATOM 848 CD LYS A 106 10.328 16.281 2.615 1.00 0.00 C ATOM 849 CE LYS A 106 11.768 16.276 2.089 1.00 0.00 C ATOM 850 NZ LYS A 106 12.365 17.599 2.242 1.00 0.00 N ATOM 0 H LYS A 106 10.005 13.695 6.989 1.00 0.00 H new ATOM 0 HA LYS A 106 9.897 14.037 4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 106 11.037 16.007 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 106 12.045 15.585 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 106 9.169 16.547 4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 106 10.565 17.600 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.875 15.310 2.415 1.00 0.00 H new ATOM 0 HD3 LYS A 106 9.751 17.022 2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 106 12.358 15.538 2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.778 15.984 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 13.302 17.611 1.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 11.754 18.310 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 12.465 17.820 3.253 1.00 0.00 H new ATOM 864 N GLY A 107 12.041 12.652 4.080 1.00 0.00 N ATOM 865 CA GLY A 107 13.246 11.869 4.102 1.00 0.00 C ATOM 866 C GLY A 107 12.879 10.442 4.385 1.00 0.00 C ATOM 867 O GLY A 107 13.697 9.541 4.217 1.00 0.00 O ATOM 0 H GLY A 107 11.577 12.699 3.173 1.00 0.00 H new ATOM 0 HA2 GLY A 107 13.765 11.945 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 107 13.928 12.244 4.865 1.00 0.00 H new ATOM 871 N LYS A 108 11.629 10.199 4.827 1.00 0.00 N ATOM 872 CA LYS A 108 11.253 8.885 5.236 1.00 0.00 C ATOM 873 C LYS A 108 9.795 8.749 4.978 1.00 0.00 C ATOM 874 O LYS A 108 9.011 9.653 5.261 1.00 0.00 O ATOM 875 CB LYS A 108 11.495 8.620 6.720 1.00 0.00 C ATOM 876 CG LYS A 108 12.974 8.428 7.060 1.00 0.00 C ATOM 877 CD LYS A 108 13.223 7.337 8.104 1.00 0.00 C ATOM 878 CE LYS A 108 12.705 7.695 9.501 1.00 0.00 C ATOM 879 NZ LYS A 108 13.469 8.812 10.048 1.00 0.00 N ATOM 0 H LYS A 108 10.893 10.901 4.899 1.00 0.00 H new ATOM 0 HA LYS A 108 11.860 8.171 4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.100 9.453 7.301 1.00 0.00 H new ATOM 0 HB3 LYS A 108 10.941 7.731 7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.519 8.180 6.149 1.00 0.00 H new ATOM 0 HG3 LYS A 108 13.380 9.371 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.746 6.414 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 108 14.293 7.139 8.162 1.00 0.00 H new ATOM 0 HE2 LYS A 108 11.648 7.958 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 108 12.787 6.831 10.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 13.280 8.895 11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.484 8.646 9.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 13.187 9.692 9.571 1.00 0.00 H new ATOM 893 N LYS A 109 9.419 7.591 4.418 1.00 0.00 N ATOM 894 CA LYS A 109 8.044 7.252 4.250 1.00 0.00 C ATOM 895 C LYS A 109 7.620 6.580 5.519 1.00 0.00 C ATOM 896 O LYS A 109 8.445 6.058 6.269 1.00 0.00 O ATOM 897 CB LYS A 109 7.916 6.259 3.090 1.00 0.00 C ATOM 898 CG LYS A 109 7.610 6.890 1.734 1.00 0.00 C ATOM 899 CD LYS A 109 7.026 5.886 0.746 1.00 0.00 C ATOM 900 CE LYS A 109 7.928 4.667 0.521 1.00 0.00 C ATOM 901 NZ LYS A 109 9.116 5.057 -0.231 1.00 0.00 N ATOM 0 H LYS A 109 10.072 6.884 4.079 1.00 0.00 H new ATOM 0 HA LYS A 109 7.434 8.130 4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 109 8.845 5.694 3.010 1.00 0.00 H new ATOM 0 HB3 LYS A 109 7.128 5.544 3.328 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.909 7.713 1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 109 8.524 7.315 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 109 6.055 5.550 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.853 6.383 -0.208 1.00 0.00 H new ATOM 0 HE2 LYS A 109 8.219 4.238 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 109 7.382 3.895 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 9.653 4.207 -0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 8.830 5.568 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 9.712 5.674 0.357 1.00 0.00 H new ATOM 915 N ALA A 110 6.305 6.584 5.798 1.00 0.00 N ATOM 916 CA ALA A 110 5.821 6.007 7.022 1.00 0.00 C ATOM 917 C ALA A 110 5.566 4.564 6.753 1.00 0.00 C ATOM 918 O ALA A 110 4.771 4.213 5.883 1.00 0.00 O ATOM 919 CB ALA A 110 4.556 6.602 7.640 1.00 0.00 C ATOM 0 H ALA A 110 5.585 6.978 5.192 1.00 0.00 H new ATOM 0 HA ALA A 110 6.597 6.215 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.312 6.066 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 110 4.723 7.655 7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.729 6.510 6.936 1.00 0.00 H new ATOM 925 N ARG A 111 6.266 3.681 7.487 1.00 0.00 N ATOM 926 CA ARG A 111 6.300 2.312 7.111 1.00 0.00 C ATOM 927 C ARG A 111 5.224 1.628 7.870 1.00 0.00 C ATOM 928 O ARG A 111 4.921 1.983 9.009 1.00 0.00 O ATOM 929 CB ARG A 111 7.655 1.755 7.511 1.00 0.00 C ATOM 930 CG ARG A 111 7.992 0.423 6.856 1.00 0.00 C ATOM 931 CD ARG A 111 7.449 -0.760 7.646 1.00 0.00 C ATOM 932 NE ARG A 111 8.366 -1.915 7.416 1.00 0.00 N ATOM 933 CZ ARG A 111 8.005 -3.174 7.790 1.00 0.00 C ATOM 934 NH1 ARG A 111 6.756 -3.435 8.229 1.00 0.00 N ATOM 935 NH2 ARG A 111 8.868 -4.202 7.628 1.00 0.00 N ATOM 0 H ARG A 111 6.798 3.914 8.326 1.00 0.00 H new ATOM 0 HA ARG A 111 6.153 2.172 6.040 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.426 2.481 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.682 1.633 8.594 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.582 0.402 5.846 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.074 0.329 6.762 1.00 0.00 H new ATOM 0 HD2 ARG A 111 7.395 -0.519 8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.437 -1.004 7.323 1.00 0.00 H new ATOM 0 HE ARG A 111 9.272 -1.760 6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 111 6.068 -2.684 8.284 1.00 0.00 H new ATOM 0 HH12 ARG A 111 6.500 -4.383 8.506 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.790 -4.035 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 111 8.597 -5.144 7.908 1.00 0.00 H new ATOM 949 N LEU A 112 4.623 0.621 7.227 1.00 0.00 N ATOM 950 CA LEU A 112 3.378 0.099 7.692 1.00 0.00 C ATOM 951 C LEU A 112 3.552 -1.370 7.913 1.00 0.00 C ATOM 952 O LEU A 112 4.599 -1.833 8.362 1.00 0.00 O ATOM 953 CB LEU A 112 2.280 0.316 6.649 1.00 0.00 C ATOM 954 CG LEU A 112 2.011 1.788 6.336 1.00 0.00 C ATOM 955 CD1 LEU A 112 1.060 1.983 5.157 1.00 0.00 C ATOM 956 CD2 LEU A 112 1.472 2.566 7.541 1.00 0.00 C ATOM 0 H LEU A 112 4.992 0.168 6.391 1.00 0.00 H new ATOM 0 HA LEU A 112 3.088 0.607 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.559 -0.197 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.358 -0.145 7.004 1.00 0.00 H new ATOM 0 HG LEU A 112 2.988 2.189 6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.908 3.048 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.489 1.528 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.103 1.512 5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.301 3.604 7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.534 2.121 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.198 2.527 8.353 1.00 0.00 H new ATOM 968 N ASP A 113 2.480 -2.136 7.645 1.00 0.00 N ATOM 969 CA ASP A 113 2.493 -3.547 7.895 1.00 0.00 C ATOM 970 C ASP A 113 1.855 -4.208 6.710 1.00 0.00 C ATOM 971 O ASP A 113 1.402 -3.544 5.785 1.00 0.00 O ATOM 972 CB ASP A 113 1.720 -3.913 9.177 1.00 0.00 C ATOM 973 CG ASP A 113 2.021 -5.361 9.533 1.00 0.00 C ATOM 974 OD1 ASP A 113 3.215 -5.672 9.782 1.00 0.00 O ATOM 975 OD2 ASP A 113 1.073 -6.190 9.456 1.00 0.00 O ATOM 0 H ASP A 113 1.606 -1.782 7.256 1.00 0.00 H new ATOM 0 HA ASP A 113 3.520 -3.883 8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 113 2.012 -3.254 9.995 1.00 0.00 H new ATOM 0 HB3 ASP A 113 0.649 -3.776 9.024 1.00 0.00 H new ATOM 980 N TRP A 114 1.871 -5.558 6.689 1.00 0.00 N ATOM 981 CA TRP A 114 1.325 -6.287 5.599 1.00 0.00 C ATOM 982 C TRP A 114 -0.094 -6.649 5.933 1.00 0.00 C ATOM 983 O TRP A 114 -0.821 -7.185 5.101 1.00 0.00 O ATOM 984 CB TRP A 114 2.185 -7.555 5.384 1.00 0.00 C ATOM 985 CG TRP A 114 3.176 -7.418 4.252 1.00 0.00 C ATOM 986 CD1 TRP A 114 4.529 -7.592 4.190 1.00 0.00 C ATOM 987 CD2 TRP A 114 2.795 -6.808 3.029 1.00 0.00 C ATOM 988 NE1 TRP A 114 5.009 -7.087 2.991 1.00 0.00 N ATOM 989 CE2 TRP A 114 3.945 -6.568 2.276 1.00 0.00 C ATOM 990 CE3 TRP A 114 1.563 -6.394 2.688 1.00 0.00 C ATOM 991 CZ2 TRP A 114 3.781 -5.894 1.075 1.00 0.00 C ATOM 992 CZ3 TRP A 114 1.411 -5.752 1.488 1.00 0.00 C ATOM 993 CH2 TRP A 114 2.503 -5.506 0.683 1.00 0.00 C ATOM 0 H TRP A 114 2.264 -6.137 7.431 1.00 0.00 H new ATOM 0 HA TRP A 114 1.330 -5.697 4.682 1.00 0.00 H new ATOM 0 HB2 TRP A 114 2.724 -7.781 6.304 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.528 -8.401 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 114 5.133 -8.053 4.958 1.00 0.00 H new ATOM 0 HE1 TRP A 114 5.983 -7.097 2.688 1.00 0.00 H new ATOM 0 HE3 TRP A 114 0.719 -6.562 3.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 4.635 -5.673 0.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.428 -5.436 1.170 1.00 0.00 H new ATOM 0 HH2 TRP A 114 2.365 -5.006 -0.264 1.00 0.00 H new ATOM 1004 N ASN A 115 -0.582 -6.200 7.100 1.00 0.00 N ATOM 1005 CA ASN A 115 -1.979 -6.313 7.400 1.00 0.00 C ATOM 1006 C ASN A 115 -2.385 -4.991 7.977 1.00 0.00 C ATOM 1007 O ASN A 115 -3.130 -4.898 8.951 1.00 0.00 O ATOM 1008 CB ASN A 115 -2.214 -7.383 8.474 1.00 0.00 C ATOM 1009 CG ASN A 115 -2.873 -8.585 7.816 1.00 0.00 C ATOM 1010 OD1 ASN A 115 -2.204 -9.429 7.219 1.00 0.00 O ATOM 1011 ND2 ASN A 115 -4.220 -8.675 7.929 1.00 0.00 N ATOM 0 H ASN A 115 -0.020 -5.763 7.831 1.00 0.00 H new ATOM 0 HA ASN A 115 -2.541 -6.582 6.506 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -1.269 -7.673 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -2.848 -6.990 9.269 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -4.715 -9.463 7.511 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.739 -7.955 8.432 1.00 0.00 H new ATOM 1018 N THR A 116 -1.951 -3.899 7.322 1.00 0.00 N ATOM 1019 CA THR A 116 -1.811 -2.647 8.011 1.00 0.00 C ATOM 1020 C THR A 116 -3.151 -1.965 8.114 1.00 0.00 C ATOM 1021 O THR A 116 -3.239 -0.904 8.727 1.00 0.00 O ATOM 1022 CB THR A 116 -0.715 -1.714 7.475 1.00 0.00 C ATOM 1023 OG1 THR A 116 -0.008 -1.129 8.559 1.00 0.00 O ATOM 1024 CG2 THR A 116 -1.219 -0.549 6.610 1.00 0.00 C ATOM 0 H THR A 116 -1.700 -3.878 6.334 1.00 0.00 H new ATOM 0 HA THR A 116 -1.452 -2.894 9.010 1.00 0.00 H new ATOM 0 HB THR A 116 -0.095 -2.356 6.849 1.00 0.00 H new ATOM 0 HG1 THR A 116 -0.646 -0.742 9.195 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.372 0.052 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 116 -1.746 -0.943 5.741 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.898 0.072 7.195 1.00 0.00 H new ATOM 1032 N ASP A 117 -4.184 -2.525 7.449 1.00 0.00 N ATOM 1033 CA ASP A 117 -5.502 -1.957 7.481 1.00 0.00 C ATOM 1034 C ASP A 117 -5.480 -0.741 6.609 1.00 0.00 C ATOM 1035 O ASP A 117 -5.444 0.377 7.106 1.00 0.00 O ATOM 1036 CB ASP A 117 -5.980 -1.618 8.900 1.00 0.00 C ATOM 1037 CG ASP A 117 -7.435 -1.177 8.835 1.00 0.00 C ATOM 1038 OD1 ASP A 117 -8.281 -2.006 8.410 1.00 0.00 O ATOM 1039 OD2 ASP A 117 -7.714 -0.002 9.193 1.00 0.00 O ATOM 0 H ASP A 117 -4.106 -3.373 6.888 1.00 0.00 H new ATOM 0 HA ASP A 117 -6.218 -2.692 7.113 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -5.878 -2.487 9.550 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -5.364 -0.826 9.327 1.00 0.00 H new ATOM 1044 N ALA A 118 -5.655 -0.965 5.290 1.00 0.00 N ATOM 1045 CA ALA A 118 -5.581 0.095 4.319 1.00 0.00 C ATOM 1046 C ALA A 118 -6.787 0.968 4.492 1.00 0.00 C ATOM 1047 O ALA A 118 -6.807 2.107 4.038 1.00 0.00 O ATOM 1048 CB ALA A 118 -5.754 -0.712 3.022 1.00 0.00 C ATOM 0 H ALA A 118 -5.849 -1.884 4.892 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.689 0.720 4.368 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.721 -0.037 2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -4.950 -1.444 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.714 -1.228 3.040 1.00 0.00 H new ATOM 1054 N ALA A 119 -7.760 0.496 5.293 1.00 0.00 N ATOM 1055 CA ALA A 119 -8.957 1.246 5.542 1.00 0.00 C ATOM 1056 C ALA A 119 -8.638 2.320 6.543 1.00 0.00 C ATOM 1057 O ALA A 119 -9.453 3.204 6.797 1.00 0.00 O ATOM 1058 CB ALA A 119 -9.761 0.141 6.247 1.00 0.00 C ATOM 0 H ALA A 119 -7.720 -0.405 5.769 1.00 0.00 H new ATOM 0 HA ALA A 119 -9.430 1.722 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.741 0.527 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.884 -0.706 5.572 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -9.229 -0.182 7.142 1.00 0.00 H new ATOM 1064 N SER A 120 -7.406 2.306 7.092 1.00 0.00 N ATOM 1065 CA SER A 120 -7.006 3.329 8.017 1.00 0.00 C ATOM 1066 C SER A 120 -6.141 4.302 7.267 1.00 0.00 C ATOM 1067 O SER A 120 -5.890 5.413 7.729 1.00 0.00 O ATOM 1068 CB SER A 120 -6.210 2.786 9.213 1.00 0.00 C ATOM 1069 OG SER A 120 -7.090 2.198 10.161 1.00 0.00 O ATOM 0 H SER A 120 -6.696 1.599 6.900 1.00 0.00 H new ATOM 0 HA SER A 120 -7.907 3.791 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 120 -5.485 2.047 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.646 3.593 9.681 1.00 0.00 H new ATOM 0 HG SER A 120 -7.620 1.498 9.725 1.00 0.00 H new ATOM 1075 N LEU A 121 -5.662 3.893 6.073 1.00 0.00 N ATOM 1076 CA LEU A 121 -4.839 4.750 5.262 1.00 0.00 C ATOM 1077 C LEU A 121 -5.692 5.209 4.143 1.00 0.00 C ATOM 1078 O LEU A 121 -5.207 5.761 3.158 1.00 0.00 O ATOM 1079 CB LEU A 121 -3.656 3.994 4.640 1.00 0.00 C ATOM 1080 CG LEU A 121 -2.782 3.290 5.676 1.00 0.00 C ATOM 1081 CD1 LEU A 121 -2.666 4.085 6.977 1.00 0.00 C ATOM 1082 CD2 LEU A 121 -3.308 1.904 6.044 1.00 0.00 C ATOM 0 H LEU A 121 -5.843 2.974 5.669 1.00 0.00 H new ATOM 0 HA LEU A 121 -4.447 5.557 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.036 3.257 3.933 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.043 4.694 4.072 1.00 0.00 H new ATOM 0 HG LEU A 121 -1.807 3.205 5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -2.035 3.542 7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -2.224 5.059 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -3.657 4.221 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.649 1.449 6.784 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -4.312 1.994 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.339 1.278 5.152 1.00 0.00 H new ATOM 1094 N ILE A 122 -6.999 4.978 4.312 1.00 0.00 N ATOM 1095 CA ILE A 122 -7.935 5.135 3.235 1.00 0.00 C ATOM 1096 C ILE A 122 -7.983 6.583 2.856 1.00 0.00 C ATOM 1097 O ILE A 122 -8.032 7.474 3.702 1.00 0.00 O ATOM 1098 CB ILE A 122 -9.335 4.598 3.561 1.00 0.00 C ATOM 1099 CG1 ILE A 122 -10.011 3.884 2.389 1.00 0.00 C ATOM 1100 CG2 ILE A 122 -10.321 5.643 4.117 1.00 0.00 C ATOM 1101 CD1 ILE A 122 -9.547 2.439 2.179 1.00 0.00 C ATOM 0 H ILE A 122 -7.416 4.681 5.194 1.00 0.00 H new ATOM 0 HA ILE A 122 -7.589 4.534 2.394 1.00 0.00 H new ATOM 0 HB ILE A 122 -9.118 3.879 4.351 1.00 0.00 H new ATOM 0 HG12 ILE A 122 -11.089 3.887 2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 122 -9.823 4.450 1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 122 -11.281 5.167 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 122 -9.925 6.061 5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 122 -10.456 6.441 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -10.075 2.007 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 122 -8.475 2.426 1.984 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -9.760 1.855 3.074 1.00 0.00 H new ATOM 1113 N GLY A 123 -7.911 6.826 1.535 1.00 0.00 N ATOM 1114 CA GLY A 123 -8.092 8.151 1.006 1.00 0.00 C ATOM 1115 C GLY A 123 -6.737 8.770 0.808 1.00 0.00 C ATOM 1116 O GLY A 123 -6.628 9.898 0.330 1.00 0.00 O ATOM 0 H GLY A 123 -7.728 6.110 0.831 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -8.633 8.112 0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -8.689 8.755 1.690 1.00 0.00 H new ATOM 1120 N GLU A 124 -5.658 8.020 1.110 1.00 0.00 N ATOM 1121 CA GLU A 124 -4.348 8.605 1.112 1.00 0.00 C ATOM 1122 C GLU A 124 -3.584 8.027 -0.045 1.00 0.00 C ATOM 1123 O GLU A 124 -4.151 7.452 -0.973 1.00 0.00 O ATOM 1124 CB GLU A 124 -3.559 8.279 2.385 1.00 0.00 C ATOM 1125 CG GLU A 124 -4.357 8.483 3.678 1.00 0.00 C ATOM 1126 CD GLU A 124 -4.088 9.891 4.193 1.00 0.00 C ATOM 1127 OE1 GLU A 124 -2.900 10.199 4.499 1.00 0.00 O ATOM 1128 OE2 GLU A 124 -5.060 10.684 4.287 1.00 0.00 O ATOM 0 H GLU A 124 -5.689 7.029 1.348 1.00 0.00 H new ATOM 0 HA GLU A 124 -4.467 9.687 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -3.222 7.244 2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -2.666 8.904 2.418 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -5.422 8.344 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -4.065 7.744 4.424 1.00 0.00 H new ATOM 1135 N GLU A 125 -2.243 8.135 0.030 1.00 0.00 N ATOM 1136 CA GLU A 125 -1.390 7.557 -0.965 1.00 0.00 C ATOM 1137 C GLU A 125 -0.555 6.533 -0.280 1.00 0.00 C ATOM 1138 O GLU A 125 -0.182 6.707 0.882 1.00 0.00 O ATOM 1139 CB GLU A 125 -0.412 8.566 -1.585 1.00 0.00 C ATOM 1140 CG GLU A 125 -1.007 9.338 -2.764 1.00 0.00 C ATOM 1141 CD GLU A 125 -0.930 10.831 -2.466 1.00 0.00 C ATOM 1142 OE1 GLU A 125 0.004 11.259 -1.730 1.00 0.00 O ATOM 1143 OE2 GLU A 125 -1.824 11.572 -2.959 1.00 0.00 O ATOM 0 H GLU A 125 -1.750 8.622 0.779 1.00 0.00 H new ATOM 0 HA GLU A 125 -2.026 7.164 -1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.096 9.274 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 125 0.481 8.038 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -0.462 9.108 -3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -2.043 9.039 -2.926 1.00 0.00 H new ATOM 1150 N LEU A 126 -0.180 5.472 -1.021 1.00 0.00 N ATOM 1151 CA LEU A 126 0.720 4.501 -0.484 1.00 0.00 C ATOM 1152 C LEU A 126 1.735 4.178 -1.527 1.00 0.00 C ATOM 1153 O LEU A 126 1.533 4.409 -2.717 1.00 0.00 O ATOM 1154 CB LEU A 126 0.049 3.203 -0.042 1.00 0.00 C ATOM 1155 CG LEU A 126 -0.499 3.272 1.382 1.00 0.00 C ATOM 1156 CD1 LEU A 126 -1.937 3.756 1.460 1.00 0.00 C ATOM 1157 CD2 LEU A 126 -0.196 2.022 2.208 1.00 0.00 C ATOM 0 H LEU A 126 -0.494 5.290 -1.974 1.00 0.00 H new ATOM 0 HA LEU A 126 1.162 4.941 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -0.765 2.969 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.768 2.387 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 126 0.066 4.062 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -2.257 3.779 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -2.007 4.758 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -2.580 3.079 0.898 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -0.613 2.137 3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -0.642 1.151 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 126 0.883 1.885 2.278 1.00 0.00 H new ATOM 1169 N GLN A 127 2.878 3.639 -1.066 1.00 0.00 N ATOM 1170 CA GLN A 127 3.937 3.263 -1.954 1.00 0.00 C ATOM 1171 C GLN A 127 4.498 1.989 -1.414 1.00 0.00 C ATOM 1172 O GLN A 127 4.320 1.673 -0.240 1.00 0.00 O ATOM 1173 CB GLN A 127 5.076 4.300 -2.002 1.00 0.00 C ATOM 1174 CG GLN A 127 5.981 4.179 -3.240 1.00 0.00 C ATOM 1175 CD GLN A 127 7.415 4.487 -2.827 1.00 0.00 C ATOM 1176 OE1 GLN A 127 7.760 5.634 -2.539 1.00 0.00 O ATOM 1177 NE2 GLN A 127 8.291 3.452 -2.843 1.00 0.00 N ATOM 0 H GLN A 127 3.070 3.463 -0.080 1.00 0.00 H new ATOM 0 HA GLN A 127 3.538 3.176 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 127 4.644 5.300 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 127 5.688 4.194 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.916 3.175 -3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 127 5.654 4.871 -4.016 1.00 0.00 H new ATOM 0 HE21 GLN A 127 7.969 2.515 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 127 9.272 3.610 -2.612 1.00 0.00 H new ATOM 1186 N VAL A 128 5.171 1.207 -2.273 1.00 0.00 N ATOM 1187 CA VAL A 128 5.819 0.016 -1.810 1.00 0.00 C ATOM 1188 C VAL A 128 7.278 0.192 -2.074 1.00 0.00 C ATOM 1189 O VAL A 128 7.670 0.881 -3.013 1.00 0.00 O ATOM 1190 CB VAL A 128 5.298 -1.262 -2.489 1.00 0.00 C ATOM 1191 CG1 VAL A 128 6.201 -2.485 -2.289 1.00 0.00 C ATOM 1192 CG2 VAL A 128 3.919 -1.700 -1.977 1.00 0.00 C ATOM 0 H VAL A 128 5.268 1.391 -3.271 1.00 0.00 H new ATOM 0 HA VAL A 128 5.609 -0.117 -0.749 1.00 0.00 H new ATOM 0 HB VAL A 128 5.264 -0.970 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.766 -3.346 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 128 7.188 -2.280 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.292 -2.700 -1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 128 3.609 -2.607 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL A 128 3.974 -1.896 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.193 -0.909 -2.165 1.00 0.00 H new ATOM 1202 N ASP A 129 8.118 -0.392 -1.200 1.00 0.00 N ATOM 1203 CA ASP A 129 9.536 -0.272 -1.355 1.00 0.00 C ATOM 1204 C ASP A 129 10.125 -1.587 -0.957 1.00 0.00 C ATOM 1205 O ASP A 129 9.406 -2.543 -0.681 1.00 0.00 O ATOM 1206 CB ASP A 129 10.122 0.826 -0.444 1.00 0.00 C ATOM 1207 CG ASP A 129 10.880 1.816 -1.315 1.00 0.00 C ATOM 1208 OD1 ASP A 129 11.795 1.368 -2.054 1.00 0.00 O ATOM 1209 OD2 ASP A 129 10.539 3.030 -1.260 1.00 0.00 O ATOM 0 H ASP A 129 7.820 -0.942 -0.394 1.00 0.00 H new ATOM 0 HA ASP A 129 9.767 -0.003 -2.386 1.00 0.00 H new ATOM 0 HB2 ASP A 129 9.325 1.332 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.788 0.387 0.299 1.00 0.00 H new ATOM 1214 N PHE A 130 11.469 -1.656 -0.875 1.00 0.00 N ATOM 1215 CA PHE A 130 12.111 -2.872 -0.466 1.00 0.00 C ATOM 1216 C PHE A 130 11.943 -2.993 1.024 1.00 0.00 C ATOM 1217 O PHE A 130 11.462 -2.073 1.686 1.00 0.00 O ATOM 1218 CB PHE A 130 13.608 -2.935 -0.829 1.00 0.00 C ATOM 1219 CG PHE A 130 14.184 -1.565 -0.674 1.00 0.00 C ATOM 1220 CD1 PHE A 130 14.670 -1.124 0.547 1.00 0.00 C ATOM 1221 CD2 PHE A 130 14.284 -0.701 -1.772 1.00 0.00 C ATOM 1222 CE1 PHE A 130 15.205 0.146 0.684 1.00 0.00 C ATOM 1223 CE2 PHE A 130 14.819 0.566 -1.633 1.00 0.00 C ATOM 1224 CZ PHE A 130 15.278 0.993 -0.402 1.00 0.00 C ATOM 0 H PHE A 130 12.102 -0.885 -1.088 1.00 0.00 H new ATOM 0 HA PHE A 130 11.642 -3.698 -1.001 1.00 0.00 H new ATOM 0 HB2 PHE A 130 14.127 -3.641 -0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 130 13.737 -3.288 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 130 14.631 -1.780 1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 130 13.938 -1.029 -2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 130 15.567 0.475 1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 130 14.878 1.223 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 130 15.692 1.984 -0.291 1.00 0.00 H new ATOM 1234 N LEU A 131 12.321 -4.163 1.581 1.00 0.00 N ATOM 1235 CA LEU A 131 12.102 -4.422 2.970 1.00 0.00 C ATOM 1236 C LEU A 131 13.084 -3.627 3.756 1.00 0.00 C ATOM 1237 O LEU A 131 14.218 -4.044 3.979 1.00 0.00 O ATOM 1238 CB LEU A 131 12.242 -5.887 3.364 1.00 0.00 C ATOM 1239 CG LEU A 131 10.940 -6.678 3.231 1.00 0.00 C ATOM 1240 CD1 LEU A 131 11.177 -8.178 3.052 1.00 0.00 C ATOM 1241 CD2 LEU A 131 9.947 -6.406 4.366 1.00 0.00 C ATOM 0 H LEU A 131 12.774 -4.922 1.072 1.00 0.00 H new ATOM 0 HA LEU A 131 11.070 -4.141 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 131 13.006 -6.352 2.741 1.00 0.00 H new ATOM 0 HB3 LEU A 131 12.591 -5.947 4.395 1.00 0.00 H new ATOM 0 HG LEU A 131 10.478 -6.309 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 131 10.219 -8.690 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 131 11.765 -8.348 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 131 11.717 -8.567 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 131 9.045 -6.999 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 131 10.400 -6.678 5.319 1.00 0.00 H new ATOM 0 HD23 LEU A 131 9.688 -5.347 4.377 1.00 0.00 H new ATOM 1253 N ASP A 132 12.615 -2.454 4.196 1.00 0.00 N ATOM 1254 CA ASP A 132 13.262 -1.705 5.237 1.00 0.00 C ATOM 1255 C ASP A 132 14.734 -1.454 4.821 1.00 0.00 C ATOM 1256 O ASP A 132 14.949 -0.793 3.770 1.00 0.00 O ATOM 1257 CB ASP A 132 13.201 -2.383 6.614 1.00 0.00 C ATOM 1258 CG ASP A 132 11.738 -2.632 6.954 1.00 0.00 C ATOM 1259 OD1 ASP A 132 11.026 -1.656 7.315 1.00 0.00 O ATOM 1260 OD2 ASP A 132 11.279 -3.797 6.805 1.00 0.00 O ATOM 1261 OXT ASP A 132 15.646 -1.811 5.615 1.00 0.00 O ATOM 0 H ASP A 132 11.773 -2.011 3.828 1.00 0.00 H new ATOM 0 HA ASP A 132 12.723 -0.765 5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 132 13.754 -3.322 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 132 13.665 -1.751 7.371 1.00 0.00 H new TER 1266 ASP A 132