USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 75 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 87 ASN : amide:sc= -0.0579 X(o=-0.78,f=-0.66) USER MOD Set 1.3: A 90 ASN : amide:sc= -0.717 X(o=-0.78,f=-0.71) USER MOD Set 2.1: A 61 SER OG : rot 170:sc= -0.231 USER MOD Set 2.2: A 64 ASN : amide:sc= -0.0804 X(o=-0.31,f=-0.29) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -151:sc= -0.186 (180deg=-0.67) USER MOD Single : A 5 GLN : amide:sc= -0.0905 X(o=-0.09,f=-0.064) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.064 X(o=-0.064,f=-0.41) USER MOD Single : A 14 MET CE :methyl -121:sc= -0.171 (180deg=-0.946) USER MOD Single : A 15 LYS NZ :NH3+ -129:sc= -1.39 (180deg=-5.54!) USER MOD Single : A 17 TYR OH : rot 180:sc= -1.09 USER MOD Single : A 19 ASN : amide:sc= -0.63 X(o=-0.63,f=-0.45) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 170:sc= -0.0128 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.0428 X(o=-0.043,f=-0.3) USER MOD Single : A 41 ASN : amide:sc= -1.8 K(o=-1.8,f=-13!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 36:sc= 1.09 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.868 X(o=-0.87,f=-0.43) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -3.88! C(o=-3.9!,f=-5.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0716 USER MOD Single : A 74 THR OG1 : rot -20:sc= 0.0968 USER MOD Single : A 77 LYS NZ :NH3+ -136:sc= -0.281 (180deg=-1.13) USER MOD Single : A 79 CYS SG : rot 11:sc= 0.309 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl -128:sc= 0 (180deg=-0.0184) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.265 USER MOD Single : A 97 ASN : amide:sc= -0.0834 K(o=-0.083,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -1.203 -19.288 -17.139 1.00 0.00 N ATOM 2 CA GLU A 1 -1.973 -18.445 -16.184 1.00 0.00 C ATOM 3 C GLU A 1 -3.226 -17.860 -16.842 1.00 0.00 C ATOM 4 O GLU A 1 -3.155 -16.850 -17.544 1.00 0.00 O ATOM 5 CB GLU A 1 -1.061 -17.320 -15.680 1.00 0.00 C ATOM 6 CG GLU A 1 -1.410 -16.829 -14.282 1.00 0.00 C ATOM 7 CD GLU A 1 -0.779 -17.666 -13.181 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.381 -18.101 -13.348 1.00 0.00 O ATOM 9 OE2 GLU A 1 -1.446 -17.883 -12.149 1.00 0.00 O ATOM 0 H1 GLU A 1 -0.360 -19.670 -16.664 1.00 0.00 H new ATOM 0 H2 GLU A 1 -1.800 -20.073 -17.469 1.00 0.00 H new ATOM 0 H3 GLU A 1 -0.910 -18.711 -17.953 1.00 0.00 H new ATOM 0 HA GLU A 1 -2.303 -19.063 -15.349 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -0.029 -17.671 -15.685 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -1.116 -16.481 -16.374 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -1.085 -15.794 -14.175 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -2.493 -16.837 -14.161 1.00 0.00 H new ATOM 16 N LYS A 2 -4.370 -18.506 -16.610 1.00 0.00 N ATOM 17 CA LYS A 2 -5.641 -18.053 -17.180 1.00 0.00 C ATOM 18 C LYS A 2 -6.590 -17.560 -16.085 1.00 0.00 C ATOM 19 O LYS A 2 -7.154 -16.470 -16.190 1.00 0.00 O ATOM 20 CB LYS A 2 -6.299 -19.184 -17.979 1.00 0.00 C ATOM 21 CG LYS A 2 -6.683 -18.789 -19.399 1.00 0.00 C ATOM 22 CD LYS A 2 -5.993 -19.671 -20.433 1.00 0.00 C ATOM 23 CE LYS A 2 -6.906 -19.971 -21.616 1.00 0.00 C ATOM 24 NZ LYS A 2 -6.613 -21.299 -22.231 1.00 0.00 N ATOM 0 H LYS A 2 -4.443 -19.343 -16.032 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.432 -17.220 -17.851 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.616 -20.033 -18.020 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.192 -19.518 -17.451 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -7.764 -18.865 -19.519 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.415 -17.747 -19.572 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.088 -19.177 -20.787 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.683 -20.606 -19.966 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.945 -19.946 -21.287 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.791 -19.191 -22.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.257 -21.461 -23.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.630 -21.315 -22.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.747 -22.047 -21.521 1.00 0.00 H new ATOM 38 N LYS A 3 -6.760 -18.370 -15.036 1.00 0.00 N ATOM 39 CA LYS A 3 -7.639 -18.015 -13.922 1.00 0.00 C ATOM 40 C LYS A 3 -7.075 -16.832 -13.135 1.00 0.00 C ATOM 41 O LYS A 3 -5.912 -16.845 -12.726 1.00 0.00 O ATOM 42 CB LYS A 3 -7.834 -19.217 -12.993 1.00 0.00 C ATOM 43 CG LYS A 3 -9.149 -19.948 -13.214 1.00 0.00 C ATOM 44 CD LYS A 3 -9.232 -21.218 -12.380 1.00 0.00 C ATOM 45 CE LYS A 3 -8.968 -22.461 -13.219 1.00 0.00 C ATOM 46 NZ LYS A 3 -9.961 -22.620 -14.320 1.00 0.00 N ATOM 0 H LYS A 3 -6.300 -19.275 -14.936 1.00 0.00 H new ATOM 0 HA LYS A 3 -8.605 -17.724 -14.335 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.010 -19.916 -13.138 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -7.785 -18.878 -11.958 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.979 -19.290 -12.958 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -9.254 -20.198 -14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -8.508 -21.167 -11.567 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.219 -21.290 -11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.965 -22.405 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.995 -23.342 -12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -10.078 -23.630 -14.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -10.875 -22.222 -14.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -9.624 -22.119 -15.167 1.00 0.00 H new ATOM 60 N GLU A 4 -7.907 -15.809 -12.933 1.00 0.00 N ATOM 61 CA GLU A 4 -7.494 -14.611 -12.201 1.00 0.00 C ATOM 62 C GLU A 4 -7.712 -14.767 -10.694 1.00 0.00 C ATOM 63 O GLU A 4 -8.843 -14.698 -10.210 1.00 0.00 O ATOM 64 CB GLU A 4 -8.247 -13.378 -12.722 1.00 0.00 C ATOM 65 CG GLU A 4 -9.760 -13.553 -12.792 1.00 0.00 C ATOM 66 CD GLU A 4 -10.523 -12.393 -12.173 1.00 0.00 C ATOM 67 OE1 GLU A 4 -10.180 -11.228 -12.471 1.00 0.00 O ATOM 68 OE2 GLU A 4 -11.465 -12.650 -11.396 1.00 0.00 O ATOM 0 H GLU A 4 -8.871 -15.786 -13.266 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.426 -14.474 -12.370 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.020 -12.529 -12.078 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.875 -13.132 -13.716 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.059 -13.662 -13.834 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.037 -14.476 -12.282 1.00 0.00 H new ATOM 75 N GLN A 5 -6.610 -14.971 -9.962 1.00 0.00 N ATOM 76 CA GLN A 5 -6.648 -15.131 -8.506 1.00 0.00 C ATOM 77 C GLN A 5 -7.357 -16.424 -8.102 1.00 0.00 C ATOM 78 O GLN A 5 -8.573 -16.552 -8.254 1.00 0.00 O ATOM 79 CB GLN A 5 -7.330 -13.925 -7.849 1.00 0.00 C ATOM 80 CG GLN A 5 -6.700 -13.511 -6.527 1.00 0.00 C ATOM 81 CD GLN A 5 -6.623 -12.004 -6.353 1.00 0.00 C ATOM 82 OE1 GLN A 5 -5.582 -11.466 -5.975 1.00 0.00 O ATOM 83 NE2 GLN A 5 -7.726 -11.311 -6.622 1.00 0.00 N ATOM 0 H GLN A 5 -5.673 -15.029 -10.361 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.618 -15.189 -8.155 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.297 -13.081 -8.537 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.381 -14.159 -7.683 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.277 -13.937 -5.706 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.696 -13.931 -6.462 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.569 -11.794 -6.933 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.729 -10.296 -6.517 1.00 0.00 H new ATOM 92 N VAL A 6 -6.586 -17.383 -7.584 1.00 0.00 N ATOM 93 CA VAL A 6 -7.138 -18.669 -7.158 1.00 0.00 C ATOM 94 C VAL A 6 -6.620 -19.075 -5.774 1.00 0.00 C ATOM 95 O VAL A 6 -7.407 -19.410 -4.887 1.00 0.00 O ATOM 96 CB VAL A 6 -6.812 -19.789 -8.174 1.00 0.00 C ATOM 97 CG1 VAL A 6 -7.588 -21.057 -7.843 1.00 0.00 C ATOM 98 CG2 VAL A 6 -7.112 -19.332 -9.596 1.00 0.00 C ATOM 0 H VAL A 6 -5.579 -17.293 -7.450 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.219 -18.541 -7.106 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.747 -20.011 -8.105 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.345 -21.833 -8.569 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.318 -21.398 -6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.657 -20.849 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.875 -20.135 -10.294 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.168 -19.077 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.507 -18.456 -9.832 1.00 0.00 H new ATOM 108 N SER A 7 -5.295 -19.046 -5.596 1.00 0.00 N ATOM 109 CA SER A 7 -4.681 -19.413 -4.319 1.00 0.00 C ATOM 110 C SER A 7 -5.003 -18.381 -3.239 1.00 0.00 C ATOM 111 O SER A 7 -4.579 -17.226 -3.324 1.00 0.00 O ATOM 112 CB SER A 7 -3.162 -19.554 -4.475 1.00 0.00 C ATOM 113 OG SER A 7 -2.521 -19.682 -3.215 1.00 0.00 O ATOM 0 H SER A 7 -4.630 -18.773 -6.319 1.00 0.00 H new ATOM 0 HA SER A 7 -5.096 -20.373 -4.011 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.937 -20.426 -5.089 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.766 -18.684 -4.999 1.00 0.00 H new ATOM 0 HG SER A 7 -1.554 -19.772 -3.347 1.00 0.00 H new ATOM 119 N GLY A 8 -5.754 -18.809 -2.222 1.00 0.00 N ATOM 120 CA GLY A 8 -6.123 -17.917 -1.133 1.00 0.00 C ATOM 121 C GLY A 8 -7.209 -16.929 -1.526 1.00 0.00 C ATOM 122 O GLY A 8 -7.433 -16.693 -2.716 1.00 0.00 O ATOM 0 H GLY A 8 -6.113 -19.760 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.466 -18.509 -0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.241 -17.369 -0.803 1.00 0.00 H new ATOM 126 N PRO A 9 -7.907 -16.331 -0.541 1.00 0.00 N ATOM 127 CA PRO A 9 -8.979 -15.359 -0.803 1.00 0.00 C ATOM 128 C PRO A 9 -8.520 -14.211 -1.703 1.00 0.00 C ATOM 129 O PRO A 9 -7.504 -13.566 -1.429 1.00 0.00 O ATOM 130 CB PRO A 9 -9.334 -14.830 0.589 1.00 0.00 C ATOM 131 CG PRO A 9 -8.928 -15.915 1.521 1.00 0.00 C ATOM 132 CD PRO A 9 -7.714 -16.555 0.905 1.00 0.00 C ATOM 0 HA PRO A 9 -9.818 -15.817 -1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.805 -13.902 0.807 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.400 -14.616 0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.700 -15.516 2.509 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.731 -16.642 1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.792 -16.096 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.655 -17.617 1.143 1.00 0.00 H new ATOM 140 N PRO A 10 -9.269 -13.937 -2.790 1.00 0.00 N ATOM 141 CA PRO A 10 -8.940 -12.855 -3.729 1.00 0.00 C ATOM 142 C PRO A 10 -9.138 -11.467 -3.117 1.00 0.00 C ATOM 143 O PRO A 10 -8.523 -10.494 -3.555 1.00 0.00 O ATOM 144 CB PRO A 10 -9.920 -13.077 -4.884 1.00 0.00 C ATOM 145 CG PRO A 10 -11.075 -13.793 -4.269 1.00 0.00 C ATOM 146 CD PRO A 10 -10.498 -14.655 -3.182 1.00 0.00 C ATOM 0 HA PRO A 10 -7.892 -12.883 -4.029 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.231 -12.131 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.466 -13.668 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.800 -13.087 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.598 -14.398 -5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.187 -14.759 -2.344 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.278 -15.661 -3.541 1.00 0.00 H new ATOM 154 N LEU A 11 -10.003 -11.385 -2.103 1.00 0.00 N ATOM 155 CA LEU A 11 -10.289 -10.125 -1.425 1.00 0.00 C ATOM 156 C LEU A 11 -10.120 -10.278 0.085 1.00 0.00 C ATOM 157 O LEU A 11 -10.134 -11.393 0.606 1.00 0.00 O ATOM 158 CB LEU A 11 -11.714 -9.661 -1.753 1.00 0.00 C ATOM 159 CG LEU A 11 -12.814 -10.700 -1.502 1.00 0.00 C ATOM 160 CD1 LEU A 11 -13.531 -10.415 -0.190 1.00 0.00 C ATOM 161 CD2 LEU A 11 -13.802 -10.725 -2.660 1.00 0.00 C ATOM 0 H LEU A 11 -10.519 -12.184 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.582 -9.374 -1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.934 -8.772 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.750 -9.364 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.347 -11.682 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.308 -11.163 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.816 -10.453 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.984 -9.424 -0.231 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.575 -11.468 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.262 -9.743 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.277 -10.982 -3.580 1.00 0.00 H new ATOM 173 N SER A 12 -9.966 -9.146 0.780 1.00 0.00 N ATOM 174 CA SER A 12 -9.797 -9.137 2.234 1.00 0.00 C ATOM 175 C SER A 12 -8.533 -9.890 2.659 1.00 0.00 C ATOM 176 O SER A 12 -8.512 -11.123 2.693 1.00 0.00 O ATOM 177 CB SER A 12 -11.032 -9.738 2.918 1.00 0.00 C ATOM 178 OG SER A 12 -10.805 -9.950 4.302 1.00 0.00 O ATOM 0 H SER A 12 -9.955 -8.219 0.354 1.00 0.00 H new ATOM 0 HA SER A 12 -9.686 -8.099 2.549 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.884 -9.071 2.785 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.290 -10.684 2.441 1.00 0.00 H new ATOM 0 HG SER A 12 -11.610 -10.332 4.711 1.00 0.00 H new ATOM 184 N ASN A 13 -7.480 -9.139 2.988 1.00 0.00 N ATOM 185 CA ASN A 13 -6.216 -9.734 3.421 1.00 0.00 C ATOM 186 C ASN A 13 -5.568 -8.895 4.527 1.00 0.00 C ATOM 187 O ASN A 13 -5.732 -9.196 5.710 1.00 0.00 O ATOM 188 CB ASN A 13 -5.260 -9.893 2.229 1.00 0.00 C ATOM 189 CG ASN A 13 -5.554 -11.140 1.412 1.00 0.00 C ATOM 190 OD1 ASN A 13 -5.539 -12.254 1.936 1.00 0.00 O ATOM 191 ND2 ASN A 13 -5.821 -10.961 0.122 1.00 0.00 N ATOM 0 H ASN A 13 -7.478 -8.119 2.963 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.426 -10.723 3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.335 -9.015 1.587 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.233 -9.934 2.593 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.024 -11.764 -0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.823 -10.020 -0.273 1.00 0.00 H new ATOM 198 N MET A 14 -4.840 -7.843 4.138 1.00 0.00 N ATOM 199 CA MET A 14 -4.175 -6.960 5.101 1.00 0.00 C ATOM 200 C MET A 14 -3.430 -5.838 4.380 1.00 0.00 C ATOM 201 O MET A 14 -2.623 -6.095 3.486 1.00 0.00 O ATOM 202 CB MET A 14 -3.197 -7.752 5.977 1.00 0.00 C ATOM 203 CG MET A 14 -3.183 -7.302 7.430 1.00 0.00 C ATOM 204 SD MET A 14 -4.530 -8.016 8.394 1.00 0.00 S ATOM 205 CE MET A 14 -5.676 -6.640 8.455 1.00 0.00 C ATOM 0 H MET A 14 -4.696 -7.582 3.162 1.00 0.00 H new ATOM 0 HA MET A 14 -4.943 -6.521 5.738 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.458 -8.809 5.935 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.192 -7.655 5.565 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.231 -7.580 7.883 1.00 0.00 H new ATOM 0 HG3 MET A 14 -3.250 -6.215 7.470 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.865 -6.369 9.494 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.248 -5.786 7.930 1.00 0.00 H new ATOM 0 HE3 MET A 14 -6.614 -6.926 7.978 1.00 0.00 H new ATOM 215 N LYS A 15 -3.705 -4.593 4.773 1.00 0.00 N ATOM 216 CA LYS A 15 -3.059 -3.434 4.164 1.00 0.00 C ATOM 217 C LYS A 15 -2.845 -2.333 5.201 1.00 0.00 C ATOM 218 O LYS A 15 -3.537 -2.280 6.218 1.00 0.00 O ATOM 219 CB LYS A 15 -3.896 -2.915 2.989 1.00 0.00 C ATOM 220 CG LYS A 15 -3.157 -1.919 2.106 1.00 0.00 C ATOM 221 CD LYS A 15 -3.361 -2.221 0.629 1.00 0.00 C ATOM 222 CE LYS A 15 -4.768 -1.862 0.173 1.00 0.00 C ATOM 223 NZ LYS A 15 -4.862 -0.461 -0.330 1.00 0.00 N ATOM 0 H LYS A 15 -4.371 -4.364 5.511 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.084 -3.739 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.215 -3.761 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.799 -2.443 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.507 -0.910 2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.093 -1.945 2.340 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.633 -1.664 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.177 -3.279 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.079 -2.549 -0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.461 -1.994 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.651 0.025 0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.974 0.041 -0.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.026 -0.471 -1.357 1.00 0.00 H new ATOM 237 N PHE A 16 -1.873 -1.466 4.945 1.00 0.00 N ATOM 238 CA PHE A 16 -1.556 -0.375 5.860 1.00 0.00 C ATOM 239 C PHE A 16 -0.839 0.748 5.121 1.00 0.00 C ATOM 240 O PHE A 16 0.157 0.508 4.442 1.00 0.00 O ATOM 241 CB PHE A 16 -0.695 -0.906 7.009 1.00 0.00 C ATOM 242 CG PHE A 16 -0.241 0.144 7.989 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.136 1.077 8.490 1.00 0.00 C ATOM 244 CD2 PHE A 16 1.077 0.191 8.414 1.00 0.00 C ATOM 245 CE1 PHE A 16 -0.724 2.035 9.398 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.493 1.145 9.323 1.00 0.00 C ATOM 247 CZ PHE A 16 0.591 2.069 9.814 1.00 0.00 C ATOM 0 H PHE A 16 -1.289 -1.497 4.109 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.481 0.031 6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.260 -1.667 7.547 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.183 -1.398 6.590 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.166 1.055 8.167 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.787 -0.526 8.030 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.431 2.756 9.781 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.522 1.168 9.649 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.915 2.817 10.523 1.00 0.00 H new ATOM 257 N TYR A 17 -1.359 1.968 5.237 1.00 0.00 N ATOM 258 CA TYR A 17 -0.768 3.117 4.557 1.00 0.00 C ATOM 259 C TYR A 17 -0.293 4.178 5.552 1.00 0.00 C ATOM 260 O TYR A 17 -1.098 4.897 6.145 1.00 0.00 O ATOM 261 CB TYR A 17 -1.778 3.723 3.573 1.00 0.00 C ATOM 262 CG TYR A 17 -1.731 3.106 2.192 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.781 1.729 2.020 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.637 3.904 1.059 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.735 1.165 0.763 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.590 3.347 -0.204 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.639 1.978 -0.347 1.00 0.00 C ATOM 268 OH TYR A 17 -1.592 1.421 -1.602 1.00 0.00 O ATOM 0 H TYR A 17 -2.186 2.186 5.794 1.00 0.00 H new ATOM 0 HA TYR A 17 0.105 2.767 4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.783 3.605 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.592 4.794 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.857 1.089 2.886 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.600 4.978 1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.774 0.092 0.648 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.515 3.981 -1.075 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.526 2.132 -2.273 1.00 0.00 H new ATOM 278 N LEU A 18 1.023 4.276 5.720 1.00 0.00 N ATOM 279 CA LEU A 18 1.610 5.254 6.631 1.00 0.00 C ATOM 280 C LEU A 18 2.974 5.708 6.124 1.00 0.00 C ATOM 281 O LEU A 18 3.990 5.050 6.366 1.00 0.00 O ATOM 282 CB LEU A 18 1.736 4.677 8.044 1.00 0.00 C ATOM 283 CG LEU A 18 1.247 5.601 9.163 1.00 0.00 C ATOM 284 CD1 LEU A 18 -0.271 5.560 9.266 1.00 0.00 C ATOM 285 CD2 LEU A 18 1.891 5.215 10.487 1.00 0.00 C ATOM 0 H LEU A 18 1.703 3.690 5.237 1.00 0.00 H new ATOM 0 HA LEU A 18 0.947 6.118 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.174 3.744 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.781 4.429 8.228 1.00 0.00 H new ATOM 0 HG LEU A 18 1.542 6.623 8.924 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.599 6.223 10.067 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.709 5.886 8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.594 4.542 9.483 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.534 5.880 11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.627 4.187 10.734 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.974 5.301 10.403 1.00 0.00 H new ATOM 297 N ASN A 19 2.983 6.838 5.415 1.00 0.00 N ATOM 298 CA ASN A 19 4.218 7.397 4.862 1.00 0.00 C ATOM 299 C ASN A 19 5.228 7.684 5.971 1.00 0.00 C ATOM 300 O ASN A 19 4.845 7.999 7.098 1.00 0.00 O ATOM 301 CB ASN A 19 3.915 8.684 4.086 1.00 0.00 C ATOM 302 CG ASN A 19 3.548 8.415 2.639 1.00 0.00 C ATOM 303 OD1 ASN A 19 4.386 8.532 1.744 1.00 0.00 O ATOM 304 ND2 ASN A 19 2.292 8.050 2.396 1.00 0.00 N ATOM 0 H ASN A 19 2.147 7.385 5.210 1.00 0.00 H new ATOM 0 HA ASN A 19 4.650 6.663 4.182 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.096 9.214 4.573 1.00 0.00 H new ATOM 0 HB3 ASN A 19 4.785 9.340 4.121 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.993 7.856 1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.628 7.964 3.165 1.00 0.00 H new ATOM 311 N ARG A 20 6.518 7.571 5.648 1.00 0.00 N ATOM 312 CA ARG A 20 7.576 7.818 6.627 1.00 0.00 C ATOM 313 C ARG A 20 7.622 9.303 7.013 1.00 0.00 C ATOM 314 O ARG A 20 6.942 9.719 7.954 1.00 0.00 O ATOM 315 CB ARG A 20 8.935 7.340 6.089 1.00 0.00 C ATOM 316 CG ARG A 20 10.106 7.628 7.021 1.00 0.00 C ATOM 317 CD ARG A 20 11.087 6.464 7.067 1.00 0.00 C ATOM 318 NE ARG A 20 12.249 6.682 6.205 1.00 0.00 N ATOM 319 CZ ARG A 20 13.082 5.713 5.812 1.00 0.00 C ATOM 320 NH1 ARG A 20 12.890 4.455 6.203 1.00 0.00 N ATOM 321 NH2 ARG A 20 14.116 6.005 5.026 1.00 0.00 N ATOM 0 H ARG A 20 6.853 7.311 4.720 1.00 0.00 H new ATOM 0 HA ARG A 20 7.353 7.246 7.528 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.885 6.267 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.123 7.819 5.128 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.624 8.528 6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.732 7.829 8.025 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.422 6.315 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.577 5.550 6.762 1.00 0.00 H new ATOM 0 HE ARG A 20 12.435 7.632 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.102 4.224 6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.531 3.723 5.898 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.272 6.967 4.725 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.752 5.267 4.725 1.00 0.00 H new ATOM 335 N ASP A 21 8.420 10.094 6.286 1.00 0.00 N ATOM 336 CA ASP A 21 8.552 11.530 6.558 1.00 0.00 C ATOM 337 C ASP A 21 9.629 12.161 5.667 1.00 0.00 C ATOM 338 O ASP A 21 10.450 12.953 6.137 1.00 0.00 O ATOM 339 CB ASP A 21 8.896 11.772 8.036 1.00 0.00 C ATOM 340 CG ASP A 21 9.933 10.796 8.565 1.00 0.00 C ATOM 341 OD1 ASP A 21 11.050 10.751 8.008 1.00 0.00 O ATOM 342 OD2 ASP A 21 9.625 10.075 9.536 1.00 0.00 O ATOM 0 H ASP A 21 8.985 9.763 5.504 1.00 0.00 H new ATOM 0 HA ASP A 21 7.594 11.999 6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.267 12.790 8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.988 11.691 8.634 1.00 0.00 H new ATOM 347 N ALA A 22 9.625 11.808 4.381 1.00 0.00 N ATOM 348 CA ALA A 22 10.610 12.341 3.438 1.00 0.00 C ATOM 349 C ALA A 22 10.105 13.593 2.720 1.00 0.00 C ATOM 350 O ALA A 22 10.791 14.126 1.845 1.00 0.00 O ATOM 351 CB ALA A 22 10.995 11.273 2.422 1.00 0.00 C ATOM 0 H ALA A 22 8.955 11.159 3.970 1.00 0.00 H new ATOM 0 HA ALA A 22 11.489 12.629 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.728 11.681 1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.424 10.416 2.940 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.108 10.958 1.872 1.00 0.00 H new ATOM 357 N ASP A 23 8.907 14.058 3.085 1.00 0.00 N ATOM 358 CA ASP A 23 8.314 15.244 2.472 1.00 0.00 C ATOM 359 C ASP A 23 7.983 15.015 0.987 1.00 0.00 C ATOM 360 O ASP A 23 7.679 15.966 0.265 1.00 0.00 O ATOM 361 CB ASP A 23 9.252 16.452 2.626 1.00 0.00 C ATOM 362 CG ASP A 23 8.518 17.775 2.803 1.00 0.00 C ATOM 363 OD1 ASP A 23 7.271 17.798 2.691 1.00 0.00 O ATOM 364 OD2 ASP A 23 9.195 18.793 3.057 1.00 0.00 O ATOM 0 H ASP A 23 8.328 13.627 3.806 1.00 0.00 H new ATOM 0 HA ASP A 23 7.378 15.448 2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 23 9.902 16.289 3.485 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.894 16.517 1.748 1.00 0.00 H new ATOM 369 N ALA A 24 8.040 13.750 0.538 1.00 0.00 N ATOM 370 CA ALA A 24 7.747 13.394 -0.853 1.00 0.00 C ATOM 371 C ALA A 24 8.158 11.950 -1.146 1.00 0.00 C ATOM 372 O ALA A 24 9.021 11.395 -0.462 1.00 0.00 O ATOM 373 CB ALA A 24 8.453 14.345 -1.817 1.00 0.00 C ATOM 0 H ALA A 24 8.289 12.955 1.126 1.00 0.00 H new ATOM 0 HA ALA A 24 6.671 13.485 -0.999 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.221 14.061 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.113 15.365 -1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.530 14.289 -1.660 1.00 0.00 H new ATOM 379 N HIS A 25 7.540 11.349 -2.167 1.00 0.00 N ATOM 380 CA HIS A 25 7.846 9.969 -2.554 1.00 0.00 C ATOM 381 C HIS A 25 7.108 9.578 -3.834 1.00 0.00 C ATOM 382 O HIS A 25 7.710 9.486 -4.905 1.00 0.00 O ATOM 383 CB HIS A 25 7.487 8.997 -1.423 1.00 0.00 C ATOM 384 CG HIS A 25 8.666 8.252 -0.880 1.00 0.00 C ATOM 385 ND1 HIS A 25 9.294 7.234 -1.568 1.00 0.00 N ATOM 386 CD2 HIS A 25 9.336 8.382 0.290 1.00 0.00 C ATOM 387 CE1 HIS A 25 10.297 6.770 -0.843 1.00 0.00 C ATOM 388 NE2 HIS A 25 10.343 7.450 0.287 1.00 0.00 N ATOM 0 H HIS A 25 6.825 11.797 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 25 8.918 9.909 -2.744 1.00 0.00 H new ATOM 0 HB2 HIS A 25 7.014 9.553 -0.613 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.752 8.281 -1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.118 9.088 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 25 10.965 5.970 -1.127 1.00 0.00 H new ATOM 0 HE2 HIS A 25 11.019 7.306 1.038 1.00 0.00 H new ATOM 397 N ASP A 26 5.802 9.350 -3.711 1.00 0.00 N ATOM 398 CA ASP A 26 4.972 8.968 -4.851 1.00 0.00 C ATOM 399 C ASP A 26 3.584 9.599 -4.747 1.00 0.00 C ATOM 400 O ASP A 26 3.191 10.394 -5.600 1.00 0.00 O ATOM 401 CB ASP A 26 4.851 7.440 -4.935 1.00 0.00 C ATOM 402 CG ASP A 26 4.884 6.916 -6.363 1.00 0.00 C ATOM 403 OD1 ASP A 26 4.551 7.682 -7.294 1.00 0.00 O ATOM 404 OD2 ASP A 26 5.237 5.732 -6.548 1.00 0.00 O ATOM 0 H ASP A 26 5.294 9.424 -2.829 1.00 0.00 H new ATOM 0 HA ASP A 26 5.451 9.335 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.664 6.986 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.920 7.129 -4.462 1.00 0.00 H new ATOM 409 N SER A 27 2.850 9.239 -3.692 1.00 0.00 N ATOM 410 CA SER A 27 1.507 9.770 -3.469 1.00 0.00 C ATOM 411 C SER A 27 1.157 9.760 -1.984 1.00 0.00 C ATOM 412 O SER A 27 1.758 9.023 -1.199 1.00 0.00 O ATOM 413 CB SER A 27 0.473 8.957 -4.253 1.00 0.00 C ATOM 414 OG SER A 27 0.016 9.671 -5.389 1.00 0.00 O ATOM 0 H SER A 27 3.165 8.581 -2.979 1.00 0.00 H new ATOM 0 HA SER A 27 1.491 10.801 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.913 8.011 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.371 8.717 -3.607 1.00 0.00 H new ATOM 0 HG SER A 27 -0.516 9.076 -5.957 1.00 0.00 H new ATOM 420 N LEU A 28 0.180 10.584 -1.604 1.00 0.00 N ATOM 421 CA LEU A 28 -0.251 10.671 -0.211 1.00 0.00 C ATOM 422 C LEU A 28 -1.775 10.687 -0.112 1.00 0.00 C ATOM 423 O LEU A 28 -2.376 9.789 0.476 1.00 0.00 O ATOM 424 CB LEU A 28 0.329 11.921 0.455 1.00 0.00 C ATOM 425 CG LEU A 28 1.830 12.147 0.242 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.167 13.627 0.351 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.641 11.336 1.244 1.00 0.00 C ATOM 0 H LEU A 28 -0.326 11.199 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 28 0.121 9.789 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.208 12.793 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.137 11.863 1.526 1.00 0.00 H new ATOM 0 HG LEU A 28 2.090 11.809 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.237 13.769 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.615 14.183 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.891 13.991 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.704 11.509 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.378 11.641 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.422 10.276 1.116 1.00 0.00 H new ATOM 439 N ASN A 29 -2.394 11.712 -0.695 1.00 0.00 N ATOM 440 CA ASN A 29 -3.850 11.840 -0.683 1.00 0.00 C ATOM 441 C ASN A 29 -4.465 11.129 -1.891 1.00 0.00 C ATOM 442 O ASN A 29 -5.574 10.601 -1.812 1.00 0.00 O ATOM 443 CB ASN A 29 -4.258 13.316 -0.682 1.00 0.00 C ATOM 444 CG ASN A 29 -5.697 13.523 -0.247 1.00 0.00 C ATOM 445 OD1 ASN A 29 -6.587 13.701 -1.077 1.00 0.00 O ATOM 446 ND2 ASN A 29 -5.934 13.502 1.061 1.00 0.00 N ATOM 0 H ASN A 29 -1.910 12.466 -1.182 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.224 11.370 0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.597 13.871 -0.016 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.122 13.728 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.883 13.637 1.410 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -5.167 13.351 1.716 1.00 0.00 H new ATOM 453 N ASP A 30 -3.731 11.125 -3.010 1.00 0.00 N ATOM 454 CA ASP A 30 -4.194 10.487 -4.242 1.00 0.00 C ATOM 455 C ASP A 30 -4.348 8.976 -4.068 1.00 0.00 C ATOM 456 O ASP A 30 -5.267 8.374 -4.628 1.00 0.00 O ATOM 457 CB ASP A 30 -3.225 10.781 -5.390 1.00 0.00 C ATOM 458 CG ASP A 30 -3.930 10.942 -6.724 1.00 0.00 C ATOM 459 OD1 ASP A 30 -4.983 11.616 -6.767 1.00 0.00 O ATOM 460 OD2 ASP A 30 -3.428 10.398 -7.729 1.00 0.00 O ATOM 0 H ASP A 30 -2.811 11.559 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.173 10.902 -4.480 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.668 11.691 -5.166 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.498 9.972 -5.463 1.00 0.00 H new ATOM 465 N ILE A 31 -3.448 8.365 -3.291 1.00 0.00 N ATOM 466 CA ILE A 31 -3.503 6.921 -3.051 1.00 0.00 C ATOM 467 C ILE A 31 -4.827 6.518 -2.413 1.00 0.00 C ATOM 468 O ILE A 31 -5.297 5.400 -2.608 1.00 0.00 O ATOM 469 CB ILE A 31 -2.353 6.427 -2.152 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.216 7.318 -0.916 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.056 6.374 -2.942 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.987 7.028 -0.083 1.00 0.00 C ATOM 0 H ILE A 31 -2.679 8.844 -2.821 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.404 6.453 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.582 5.418 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.190 8.361 -1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.102 7.196 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.251 6.024 -2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.170 5.690 -3.783 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.816 7.370 -3.314 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.962 7.701 0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.019 5.996 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.093 7.178 -0.689 1.00 0.00 H new ATOM 484 N ASP A 32 -5.431 7.440 -1.663 1.00 0.00 N ATOM 485 CA ASP A 32 -6.713 7.182 -1.018 1.00 0.00 C ATOM 486 C ASP A 32 -7.750 6.750 -2.057 1.00 0.00 C ATOM 487 O ASP A 32 -8.649 5.961 -1.762 1.00 0.00 O ATOM 488 CB ASP A 32 -7.192 8.436 -0.283 1.00 0.00 C ATOM 489 CG ASP A 32 -8.366 8.163 0.639 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.501 8.030 0.134 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.152 8.091 1.866 1.00 0.00 O ATOM 0 H ASP A 32 -5.051 8.371 -1.489 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.587 6.376 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.367 8.849 0.298 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.477 9.193 -1.013 1.00 0.00 H new ATOM 496 N GLN A 33 -7.612 7.275 -3.278 1.00 0.00 N ATOM 497 CA GLN A 33 -8.526 6.951 -4.367 1.00 0.00 C ATOM 498 C GLN A 33 -8.165 5.617 -5.022 1.00 0.00 C ATOM 499 O GLN A 33 -9.040 4.776 -5.236 1.00 0.00 O ATOM 500 CB GLN A 33 -8.524 8.075 -5.405 1.00 0.00 C ATOM 501 CG GLN A 33 -9.569 7.907 -6.496 1.00 0.00 C ATOM 502 CD GLN A 33 -10.161 9.231 -6.943 1.00 0.00 C ATOM 503 OE1 GLN A 33 -10.552 10.058 -6.121 1.00 0.00 O ATOM 504 NE2 GLN A 33 -10.231 9.439 -8.254 1.00 0.00 N ATOM 0 H GLN A 33 -6.872 7.928 -3.533 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.528 6.853 -3.950 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.692 9.025 -4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.538 8.129 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.118 7.407 -7.353 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.367 7.260 -6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.895 8.726 -8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.620 10.311 -8.612 1.00 0.00 H new ATOM 513 N LEU A 34 -6.879 5.417 -5.328 1.00 0.00 N ATOM 514 CA LEU A 34 -6.436 4.165 -5.945 1.00 0.00 C ATOM 515 C LEU A 34 -6.580 2.999 -4.967 1.00 0.00 C ATOM 516 O LEU A 34 -6.733 1.847 -5.378 1.00 0.00 O ATOM 517 CB LEU A 34 -4.987 4.280 -6.429 1.00 0.00 C ATOM 518 CG LEU A 34 -3.920 4.350 -5.331 1.00 0.00 C ATOM 519 CD1 LEU A 34 -3.550 2.957 -4.846 1.00 0.00 C ATOM 520 CD2 LEU A 34 -2.690 5.082 -5.840 1.00 0.00 C ATOM 0 H LEU A 34 -6.137 6.096 -5.161 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.072 3.971 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.768 3.424 -7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.901 5.172 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.331 4.903 -4.487 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.791 3.033 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.435 2.465 -4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.158 2.374 -5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.940 5.125 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.282 4.552 -6.701 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.965 6.095 -6.134 1.00 0.00 H new ATOM 532 N ALA A 35 -6.543 3.313 -3.673 1.00 0.00 N ATOM 533 CA ALA A 35 -6.682 2.304 -2.626 1.00 0.00 C ATOM 534 C ALA A 35 -8.145 2.107 -2.241 1.00 0.00 C ATOM 535 O ALA A 35 -8.488 1.104 -1.622 1.00 0.00 O ATOM 536 CB ALA A 35 -5.858 2.689 -1.406 1.00 0.00 C ATOM 0 H ALA A 35 -6.417 4.263 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.308 1.358 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.972 1.927 -0.635 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.808 2.767 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.203 3.649 -1.022 1.00 0.00 H new ATOM 542 N ARG A 36 -9.008 3.055 -2.622 1.00 0.00 N ATOM 543 CA ARG A 36 -10.435 2.956 -2.323 1.00 0.00 C ATOM 544 C ARG A 36 -11.011 1.666 -2.908 1.00 0.00 C ATOM 545 O ARG A 36 -11.927 1.071 -2.337 1.00 0.00 O ATOM 546 CB ARG A 36 -11.188 4.172 -2.875 1.00 0.00 C ATOM 547 CG ARG A 36 -11.916 4.972 -1.806 1.00 0.00 C ATOM 548 CD ARG A 36 -13.421 4.774 -1.892 1.00 0.00 C ATOM 549 NE ARG A 36 -14.103 5.952 -2.432 1.00 0.00 N ATOM 550 CZ ARG A 36 -15.417 6.168 -2.333 1.00 0.00 C ATOM 551 NH1 ARG A 36 -16.204 5.282 -1.724 1.00 0.00 N ATOM 552 NH2 ARG A 36 -15.948 7.272 -2.849 1.00 0.00 N ATOM 0 H ARG A 36 -8.742 3.895 -3.136 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.559 2.936 -1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.481 4.825 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.909 3.835 -3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.564 4.669 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.680 6.030 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.637 3.911 -2.521 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.814 4.551 -0.900 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.539 6.652 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.804 4.431 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.207 5.455 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.352 7.953 -3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -16.952 7.438 -2.774 1.00 0.00 H new ATOM 566 N LEU A 37 -10.453 1.236 -4.043 1.00 0.00 N ATOM 567 CA LEU A 37 -10.888 0.009 -4.704 1.00 0.00 C ATOM 568 C LEU A 37 -10.538 -1.211 -3.851 1.00 0.00 C ATOM 569 O LEU A 37 -11.402 -2.039 -3.558 1.00 0.00 O ATOM 570 CB LEU A 37 -10.234 -0.112 -6.086 1.00 0.00 C ATOM 571 CG LEU A 37 -11.072 0.408 -7.259 1.00 0.00 C ATOM 572 CD1 LEU A 37 -12.413 -0.309 -7.323 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.271 1.913 -7.151 1.00 0.00 C ATOM 0 H LEU A 37 -9.696 1.724 -4.522 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.970 0.050 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.288 0.429 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.998 -1.161 -6.267 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.531 0.201 -8.182 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.992 0.076 -8.163 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.248 -1.378 -7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.961 -0.139 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.868 2.262 -7.993 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.786 2.146 -6.219 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.301 2.410 -7.163 1.00 0.00 H new ATOM 585 N ILE A 38 -9.269 -1.307 -3.444 1.00 0.00 N ATOM 586 CA ILE A 38 -8.812 -2.418 -2.610 1.00 0.00 C ATOM 587 C ILE A 38 -9.262 -2.243 -1.155 1.00 0.00 C ATOM 588 O ILE A 38 -9.262 -3.198 -0.384 1.00 0.00 O ATOM 589 CB ILE A 38 -7.275 -2.582 -2.667 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.836 -2.902 -4.100 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.816 -3.676 -1.708 1.00 0.00 C ATOM 592 CD1 ILE A 38 -5.361 -3.219 -4.236 1.00 0.00 C ATOM 0 H ILE A 38 -8.543 -0.630 -3.679 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.268 -3.322 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.811 -1.645 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.415 -3.750 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.075 -2.053 -4.741 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.732 -3.776 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.105 -3.413 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.282 -4.622 -1.985 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.130 -3.434 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.773 -2.364 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.118 -4.087 -3.624 1.00 0.00 H new ATOM 604 N ARG A 39 -9.662 -1.026 -0.786 1.00 0.00 N ATOM 605 CA ARG A 39 -10.132 -0.750 0.568 1.00 0.00 C ATOM 606 C ARG A 39 -11.547 -1.289 0.756 1.00 0.00 C ATOM 607 O ARG A 39 -11.936 -1.662 1.863 1.00 0.00 O ATOM 608 CB ARG A 39 -10.111 0.756 0.849 1.00 0.00 C ATOM 609 CG ARG A 39 -10.388 1.110 2.304 1.00 0.00 C ATOM 610 CD ARG A 39 -11.792 1.672 2.486 1.00 0.00 C ATOM 611 NE ARG A 39 -11.790 3.124 2.670 1.00 0.00 N ATOM 612 CZ ARG A 39 -12.870 3.899 2.521 1.00 0.00 C ATOM 613 NH1 ARG A 39 -14.044 3.366 2.187 1.00 0.00 N ATOM 614 NH2 ARG A 39 -12.776 5.212 2.710 1.00 0.00 N ATOM 0 H ARG A 39 -9.669 -0.217 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.463 -1.248 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.137 1.156 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.853 1.245 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.267 0.222 2.925 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.656 1.841 2.647 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.398 1.419 1.616 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.261 1.199 3.349 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.911 3.573 2.928 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.125 2.359 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -14.863 3.964 2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.881 5.627 2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.599 5.804 2.597 1.00 0.00 H new ATOM 628 N ALA A 40 -12.315 -1.326 -0.337 1.00 0.00 N ATOM 629 CA ALA A 40 -13.688 -1.814 -0.297 1.00 0.00 C ATOM 630 C ALA A 40 -13.788 -3.300 -0.664 1.00 0.00 C ATOM 631 O ALA A 40 -14.881 -3.870 -0.646 1.00 0.00 O ATOM 632 CB ALA A 40 -14.568 -0.988 -1.225 1.00 0.00 C ATOM 0 H ALA A 40 -12.004 -1.022 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 40 -14.038 -1.707 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.591 -1.363 -1.186 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.551 0.055 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.193 -1.064 -2.246 1.00 0.00 H new ATOM 638 N ASN A 41 -12.655 -3.927 -1.000 1.00 0.00 N ATOM 639 CA ASN A 41 -12.645 -5.343 -1.373 1.00 0.00 C ATOM 640 C ASN A 41 -12.994 -6.247 -0.188 1.00 0.00 C ATOM 641 O ASN A 41 -13.521 -7.344 -0.371 1.00 0.00 O ATOM 642 CB ASN A 41 -11.279 -5.737 -1.959 1.00 0.00 C ATOM 643 CG ASN A 41 -10.176 -5.902 -0.923 1.00 0.00 C ATOM 644 OD1 ASN A 41 -10.283 -5.435 0.207 1.00 0.00 O ATOM 645 ND2 ASN A 41 -9.094 -6.567 -1.315 1.00 0.00 N ATOM 0 H ASN A 41 -11.739 -3.478 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.413 -5.484 -2.134 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.389 -6.672 -2.508 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.974 -4.978 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -8.317 -6.703 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.041 -6.941 -2.262 1.00 0.00 H new ATOM 652 N GLY A 42 -12.683 -5.781 1.015 1.00 0.00 N ATOM 653 CA GLY A 42 -12.949 -6.551 2.216 1.00 0.00 C ATOM 654 C GLY A 42 -11.799 -6.494 3.210 1.00 0.00 C ATOM 655 O GLY A 42 -11.964 -6.867 4.372 1.00 0.00 O ATOM 0 H GLY A 42 -12.247 -4.874 1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.855 -6.175 2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.139 -7.589 1.944 1.00 0.00 H new ATOM 659 N GLY A 43 -10.631 -6.022 2.756 1.00 0.00 N ATOM 660 CA GLY A 43 -9.478 -5.922 3.627 1.00 0.00 C ATOM 661 C GLY A 43 -9.519 -4.679 4.490 1.00 0.00 C ATOM 662 O GLY A 43 -10.591 -4.277 4.948 1.00 0.00 O ATOM 0 H GLY A 43 -10.471 -5.709 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.430 -6.804 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.570 -5.914 3.025 1.00 0.00 H new ATOM 666 N GLU A 44 -8.358 -4.067 4.718 1.00 0.00 N ATOM 667 CA GLU A 44 -8.280 -2.869 5.542 1.00 0.00 C ATOM 668 C GLU A 44 -7.066 -2.028 5.182 1.00 0.00 C ATOM 669 O GLU A 44 -5.935 -2.503 5.246 1.00 0.00 O ATOM 670 CB GLU A 44 -8.204 -3.246 7.022 1.00 0.00 C ATOM 671 CG GLU A 44 -9.412 -4.014 7.529 1.00 0.00 C ATOM 672 CD GLU A 44 -9.450 -4.131 9.043 1.00 0.00 C ATOM 673 OE1 GLU A 44 -9.082 -3.152 9.729 1.00 0.00 O ATOM 674 OE2 GLU A 44 -9.851 -5.202 9.543 1.00 0.00 O ATOM 0 H GLU A 44 -7.463 -4.382 4.344 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.181 -2.284 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.309 -3.846 7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.091 -2.337 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.320 -3.519 7.186 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.409 -5.013 7.093 1.00 0.00 H new ATOM 681 N VAL A 45 -7.310 -0.775 4.824 1.00 0.00 N ATOM 682 CA VAL A 45 -6.235 0.147 4.476 1.00 0.00 C ATOM 683 C VAL A 45 -6.516 1.543 5.030 1.00 0.00 C ATOM 684 O VAL A 45 -7.585 2.111 4.800 1.00 0.00 O ATOM 685 CB VAL A 45 -6.014 0.236 2.951 1.00 0.00 C ATOM 686 CG1 VAL A 45 -7.287 0.678 2.244 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.862 1.180 2.637 1.00 0.00 C ATOM 0 H VAL A 45 -8.245 -0.372 4.767 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.326 -0.249 4.928 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.755 -0.756 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.106 0.733 1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.082 -0.041 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.586 1.659 2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.718 1.232 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.091 2.174 3.021 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.950 0.811 3.107 1.00 0.00 H new ATOM 697 N LEU A 46 -5.544 2.088 5.756 1.00 0.00 N ATOM 698 CA LEU A 46 -5.673 3.418 6.341 1.00 0.00 C ATOM 699 C LEU A 46 -4.786 4.406 5.594 1.00 0.00 C ATOM 700 O LEU A 46 -3.583 4.465 5.831 1.00 0.00 O ATOM 701 CB LEU A 46 -5.295 3.393 7.827 1.00 0.00 C ATOM 702 CG LEU A 46 -5.841 2.204 8.623 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.174 2.129 9.988 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.353 2.306 8.766 1.00 0.00 C ATOM 0 H LEU A 46 -4.656 1.627 5.953 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.712 3.735 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.208 3.395 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.651 4.313 8.291 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.612 1.288 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.573 1.279 10.542 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.098 2.007 9.861 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.372 3.047 10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.723 1.453 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.608 3.228 9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.812 2.310 7.778 1.00 0.00 H new ATOM 716 N ASP A 47 -5.383 5.169 4.683 1.00 0.00 N ATOM 717 CA ASP A 47 -4.640 6.148 3.890 1.00 0.00 C ATOM 718 C ASP A 47 -4.290 7.377 4.727 1.00 0.00 C ATOM 719 O ASP A 47 -5.079 8.320 4.822 1.00 0.00 O ATOM 720 CB ASP A 47 -5.449 6.559 2.654 1.00 0.00 C ATOM 721 CG ASP A 47 -5.938 5.368 1.851 1.00 0.00 C ATOM 722 OD1 ASP A 47 -5.102 4.710 1.194 1.00 0.00 O ATOM 723 OD2 ASP A 47 -7.156 5.090 1.879 1.00 0.00 O ATOM 0 H ASP A 47 -6.381 5.129 4.474 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.710 5.683 3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.305 7.157 2.967 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.833 7.194 2.017 1.00 0.00 H new ATOM 728 N SER A 48 -3.105 7.357 5.335 1.00 0.00 N ATOM 729 CA SER A 48 -2.653 8.469 6.167 1.00 0.00 C ATOM 730 C SER A 48 -1.210 8.840 5.843 1.00 0.00 C ATOM 731 O SER A 48 -0.331 7.975 5.806 1.00 0.00 O ATOM 732 CB SER A 48 -2.782 8.106 7.648 1.00 0.00 C ATOM 733 OG SER A 48 -4.119 8.253 8.093 1.00 0.00 O ATOM 0 H SER A 48 -2.442 6.585 5.267 1.00 0.00 H new ATOM 0 HA SER A 48 -3.284 9.332 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.454 7.078 7.804 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.126 8.743 8.241 1.00 0.00 H new ATOM 0 HG SER A 48 -4.176 8.014 9.042 1.00 0.00 H new ATOM 739 N LYS A 49 -0.971 10.131 5.610 1.00 0.00 N ATOM 740 CA LYS A 49 0.370 10.614 5.290 1.00 0.00 C ATOM 741 C LYS A 49 0.927 11.484 6.419 1.00 0.00 C ATOM 742 O LYS A 49 0.694 12.695 6.458 1.00 0.00 O ATOM 743 CB LYS A 49 0.356 11.404 3.974 1.00 0.00 C ATOM 744 CG LYS A 49 -0.795 12.395 3.851 1.00 0.00 C ATOM 745 CD LYS A 49 -0.331 13.727 3.282 1.00 0.00 C ATOM 746 CE LYS A 49 -1.222 14.872 3.742 1.00 0.00 C ATOM 747 NZ LYS A 49 -2.507 14.925 2.987 1.00 0.00 N ATOM 0 H LYS A 49 -1.686 10.858 5.637 1.00 0.00 H new ATOM 0 HA LYS A 49 1.019 9.746 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.298 11.945 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.306 10.701 3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.570 11.975 3.210 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.244 12.555 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.697 13.918 3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.332 13.679 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.432 14.762 4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.691 15.816 3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.081 15.720 3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.310 15.057 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.028 14.035 3.125 1.00 0.00 H new ATOM 761 N PRO A 50 1.678 10.873 7.357 1.00 0.00 N ATOM 762 CA PRO A 50 2.274 11.580 8.489 1.00 0.00 C ATOM 763 C PRO A 50 3.680 12.103 8.178 1.00 0.00 C ATOM 764 O PRO A 50 4.142 12.025 7.037 1.00 0.00 O ATOM 765 CB PRO A 50 2.329 10.484 9.547 1.00 0.00 C ATOM 766 CG PRO A 50 2.601 9.236 8.774 1.00 0.00 C ATOM 767 CD PRO A 50 1.999 9.432 7.400 1.00 0.00 C ATOM 0 HA PRO A 50 1.712 12.467 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.113 10.677 10.279 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.390 10.415 10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.673 9.051 8.703 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.160 8.371 9.269 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.700 9.155 6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.108 8.820 7.263 1.00 0.00 H new ATOM 775 N ARG A 51 4.357 12.629 9.201 1.00 0.00 N ATOM 776 CA ARG A 51 5.714 13.157 9.042 1.00 0.00 C ATOM 777 C ARG A 51 6.502 13.069 10.354 1.00 0.00 C ATOM 778 O ARG A 51 7.333 13.931 10.651 1.00 0.00 O ATOM 779 CB ARG A 51 5.664 14.608 8.547 1.00 0.00 C ATOM 780 CG ARG A 51 5.871 14.745 7.046 1.00 0.00 C ATOM 781 CD ARG A 51 5.928 16.204 6.618 1.00 0.00 C ATOM 782 NE ARG A 51 4.619 16.710 6.203 1.00 0.00 N ATOM 783 CZ ARG A 51 4.441 17.805 5.456 1.00 0.00 C ATOM 784 NH1 ARG A 51 5.486 18.516 5.038 1.00 0.00 N ATOM 785 NH2 ARG A 51 3.213 18.190 5.128 1.00 0.00 N ATOM 0 H ARG A 51 3.988 12.701 10.149 1.00 0.00 H new ATOM 0 HA ARG A 51 6.229 12.546 8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.700 15.041 8.814 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.428 15.187 9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.796 14.245 6.759 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.060 14.242 6.519 1.00 0.00 H new ATOM 0 HD2 ARG A 51 6.304 16.808 7.443 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.635 16.312 5.795 1.00 0.00 H new ATOM 0 HE ARG A 51 3.791 16.195 6.502 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.432 18.227 5.287 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.341 19.350 4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.408 17.651 5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.075 19.025 4.558 1.00 0.00 H new ATOM 799 N GLU A 52 6.244 12.014 11.128 1.00 0.00 N ATOM 800 CA GLU A 52 6.933 11.804 12.398 1.00 0.00 C ATOM 801 C GLU A 52 7.879 10.612 12.300 1.00 0.00 C ATOM 802 O GLU A 52 7.472 9.519 11.900 1.00 0.00 O ATOM 803 CB GLU A 52 5.923 11.571 13.525 1.00 0.00 C ATOM 804 CG GLU A 52 5.547 12.834 14.284 1.00 0.00 C ATOM 805 CD GLU A 52 5.135 12.549 15.717 1.00 0.00 C ATOM 806 OE1 GLU A 52 6.008 12.154 16.519 1.00 0.00 O ATOM 807 OE2 GLU A 52 3.940 12.719 16.034 1.00 0.00 O ATOM 0 H GLU A 52 5.562 11.292 10.896 1.00 0.00 H new ATOM 0 HA GLU A 52 7.512 12.700 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.020 11.128 13.105 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.336 10.846 14.227 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.393 13.521 14.282 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.729 13.335 13.767 1.00 0.00 H new ATOM 814 N SER A 53 9.142 10.827 12.663 1.00 0.00 N ATOM 815 CA SER A 53 10.141 9.765 12.611 1.00 0.00 C ATOM 816 C SER A 53 10.177 8.986 13.926 1.00 0.00 C ATOM 817 O SER A 53 10.819 9.401 14.894 1.00 0.00 O ATOM 818 CB SER A 53 11.522 10.347 12.290 1.00 0.00 C ATOM 819 OG SER A 53 11.994 11.179 13.338 1.00 0.00 O ATOM 0 H SER A 53 9.496 11.724 12.995 1.00 0.00 H new ATOM 0 HA SER A 53 9.863 9.073 11.816 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.230 9.535 12.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.470 10.921 11.365 1.00 0.00 H new ATOM 0 HG SER A 53 11.707 10.813 14.201 1.00 0.00 H new ATOM 825 N LYS A 54 9.477 7.853 13.956 1.00 0.00 N ATOM 826 CA LYS A 54 9.424 7.012 15.151 1.00 0.00 C ATOM 827 C LYS A 54 9.559 5.527 14.798 1.00 0.00 C ATOM 828 O LYS A 54 9.131 4.661 15.565 1.00 0.00 O ATOM 829 CB LYS A 54 8.112 7.259 15.904 1.00 0.00 C ATOM 830 CG LYS A 54 6.871 6.763 15.171 1.00 0.00 C ATOM 831 CD LYS A 54 6.218 7.874 14.364 1.00 0.00 C ATOM 832 CE LYS A 54 4.882 7.431 13.784 1.00 0.00 C ATOM 833 NZ LYS A 54 3.735 7.811 14.659 1.00 0.00 N ATOM 0 H LYS A 54 8.939 7.496 13.167 1.00 0.00 H new ATOM 0 HA LYS A 54 10.265 7.280 15.791 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.166 6.770 16.877 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.008 8.328 16.090 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.143 5.942 14.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.156 6.367 15.892 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.068 8.747 14.999 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.884 8.178 13.556 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.749 7.878 12.799 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.888 6.350 13.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.846 7.490 14.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.847 7.364 15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.712 8.845 14.771 1.00 0.00 H new ATOM 847 N GLU A 55 10.149 5.242 13.632 1.00 0.00 N ATOM 848 CA GLU A 55 10.332 3.866 13.165 1.00 0.00 C ATOM 849 C GLU A 55 9.017 3.078 13.200 1.00 0.00 C ATOM 850 O GLU A 55 9.019 1.851 13.321 1.00 0.00 O ATOM 851 CB GLU A 55 11.398 3.155 14.004 1.00 0.00 C ATOM 852 CG GLU A 55 12.594 2.687 13.190 1.00 0.00 C ATOM 853 CD GLU A 55 13.808 2.393 14.050 1.00 0.00 C ATOM 854 OE1 GLU A 55 13.705 1.535 14.952 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.863 3.020 13.819 1.00 0.00 O ATOM 0 H GLU A 55 10.509 5.951 12.993 1.00 0.00 H new ATOM 0 HA GLU A 55 10.666 3.911 12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.743 3.830 14.788 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.946 2.296 14.499 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.321 1.790 12.634 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.850 3.451 12.456 1.00 0.00 H new ATOM 862 N ASN A 56 7.895 3.792 13.090 1.00 0.00 N ATOM 863 CA ASN A 56 6.577 3.164 13.107 1.00 0.00 C ATOM 864 C ASN A 56 5.728 3.598 11.901 1.00 0.00 C ATOM 865 O ASN A 56 4.528 3.324 11.846 1.00 0.00 O ATOM 866 CB ASN A 56 5.856 3.509 14.414 1.00 0.00 C ATOM 867 CG ASN A 56 4.621 2.659 14.634 1.00 0.00 C ATOM 868 OD1 ASN A 56 4.714 1.517 15.084 1.00 0.00 O ATOM 869 ND2 ASN A 56 3.457 3.210 14.314 1.00 0.00 N ATOM 0 H ASN A 56 7.875 4.807 12.988 1.00 0.00 H new ATOM 0 HA ASN A 56 6.715 2.085 13.041 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.541 3.373 15.251 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.572 4.561 14.402 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.592 2.683 14.438 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.427 4.160 13.944 1.00 0.00 H new ATOM 876 N VAL A 57 6.354 4.267 10.931 1.00 0.00 N ATOM 877 CA VAL A 57 5.652 4.726 9.734 1.00 0.00 C ATOM 878 C VAL A 57 6.070 3.916 8.509 1.00 0.00 C ATOM 879 O VAL A 57 7.175 4.085 7.986 1.00 0.00 O ATOM 880 CB VAL A 57 5.898 6.230 9.458 1.00 0.00 C ATOM 881 CG1 VAL A 57 4.850 7.083 10.155 1.00 0.00 C ATOM 882 CG2 VAL A 57 7.301 6.650 9.882 1.00 0.00 C ATOM 0 H VAL A 57 7.346 4.502 10.952 1.00 0.00 H new ATOM 0 HA VAL A 57 4.589 4.579 9.922 1.00 0.00 H new ATOM 0 HB VAL A 57 5.813 6.388 8.383 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.041 8.136 9.948 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.860 6.815 9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.897 6.910 11.230 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.441 7.711 9.675 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.428 6.469 10.949 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.038 6.071 9.325 1.00 0.00 H new ATOM 892 N PHE A 58 5.179 3.036 8.053 1.00 0.00 N ATOM 893 CA PHE A 58 5.448 2.195 6.886 1.00 0.00 C ATOM 894 C PHE A 58 4.153 1.790 6.192 1.00 0.00 C ATOM 895 O PHE A 58 3.071 1.867 6.775 1.00 0.00 O ATOM 896 CB PHE A 58 6.233 0.935 7.281 1.00 0.00 C ATOM 897 CG PHE A 58 5.756 0.295 8.557 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.646 -0.534 8.561 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.416 0.532 9.750 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.203 -1.115 9.734 1.00 0.00 C ATOM 901 CE2 PHE A 58 5.978 -0.044 10.926 1.00 0.00 C ATOM 902 CZ PHE A 58 4.870 -0.868 10.918 1.00 0.00 C ATOM 0 H PHE A 58 4.262 2.887 8.475 1.00 0.00 H new ATOM 0 HA PHE A 58 6.051 2.785 6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.163 0.207 6.473 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.287 1.193 7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.121 -0.728 7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.284 1.175 9.761 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.337 -1.761 9.725 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.501 0.150 11.851 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.525 -1.319 11.837 1.00 0.00 H new ATOM 912 N ILE A 59 4.277 1.360 4.942 1.00 0.00 N ATOM 913 CA ILE A 59 3.133 0.937 4.157 1.00 0.00 C ATOM 914 C ILE A 59 3.237 -0.543 3.790 1.00 0.00 C ATOM 915 O ILE A 59 4.191 -0.968 3.134 1.00 0.00 O ATOM 916 CB ILE A 59 2.986 1.794 2.882 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.761 1.354 2.075 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.247 1.737 2.035 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.616 2.064 0.745 1.00 0.00 C ATOM 0 H ILE A 59 5.168 1.296 4.450 1.00 0.00 H new ATOM 0 HA ILE A 59 2.243 1.079 4.771 1.00 0.00 H new ATOM 0 HB ILE A 59 2.839 2.830 3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.821 0.280 1.898 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.864 1.529 2.669 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.114 2.350 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.091 2.114 2.613 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.441 0.706 1.741 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.726 1.699 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.523 3.137 0.914 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.495 1.868 0.130 1.00 0.00 H new ATOM 931 N VAL A 60 2.250 -1.325 4.228 1.00 0.00 N ATOM 932 CA VAL A 60 2.229 -2.761 3.955 1.00 0.00 C ATOM 933 C VAL A 60 1.284 -3.090 2.798 1.00 0.00 C ATOM 934 O VAL A 60 0.205 -2.504 2.675 1.00 0.00 O ATOM 935 CB VAL A 60 1.835 -3.583 5.213 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.379 -2.934 6.478 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.325 -3.763 5.318 1.00 0.00 C ATOM 0 H VAL A 60 1.456 -0.988 4.772 1.00 0.00 H new ATOM 0 HA VAL A 60 3.243 -3.043 3.671 1.00 0.00 H new ATOM 0 HB VAL A 60 2.283 -4.571 5.107 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.090 -3.528 7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.466 -2.881 6.421 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.971 -1.928 6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.089 -4.343 6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.154 -2.786 5.383 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.041 -4.289 4.436 1.00 0.00 H new ATOM 947 N SER A 61 1.704 -4.024 1.947 1.00 0.00 N ATOM 948 CA SER A 61 0.903 -4.432 0.791 1.00 0.00 C ATOM 949 C SER A 61 0.038 -5.652 1.117 1.00 0.00 C ATOM 950 O SER A 61 0.296 -6.367 2.088 1.00 0.00 O ATOM 951 CB SER A 61 1.809 -4.737 -0.408 1.00 0.00 C ATOM 952 OG SER A 61 3.016 -5.359 0.001 1.00 0.00 O ATOM 0 H SER A 61 2.594 -4.514 2.035 1.00 0.00 H new ATOM 0 HA SER A 61 0.242 -3.604 0.536 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.283 -5.386 -1.108 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.036 -3.813 -0.939 1.00 0.00 H new ATOM 0 HG SER A 61 3.499 -5.686 -0.787 1.00 0.00 H new ATOM 958 N PRO A 62 -1.011 -5.904 0.304 1.00 0.00 N ATOM 959 CA PRO A 62 -1.923 -7.042 0.503 1.00 0.00 C ATOM 960 C PRO A 62 -1.197 -8.387 0.487 1.00 0.00 C ATOM 961 O PRO A 62 -0.439 -8.682 -0.439 1.00 0.00 O ATOM 962 CB PRO A 62 -2.894 -6.942 -0.681 1.00 0.00 C ATOM 963 CG PRO A 62 -2.801 -5.529 -1.142 1.00 0.00 C ATOM 964 CD PRO A 62 -1.388 -5.099 -0.872 1.00 0.00 C ATOM 0 HA PRO A 62 -2.413 -6.998 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.619 -7.635 -1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.911 -7.192 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -3.038 -5.448 -2.203 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.510 -4.897 -0.608 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -0.737 -5.299 -1.723 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.324 -4.031 -0.666 1.00 0.00 H new ATOM 972 N TYR A 63 -1.438 -9.195 1.526 1.00 0.00 N ATOM 973 CA TYR A 63 -0.818 -10.519 1.660 1.00 0.00 C ATOM 974 C TYR A 63 0.670 -10.430 2.025 1.00 0.00 C ATOM 975 O TYR A 63 1.353 -11.455 2.105 1.00 0.00 O ATOM 976 CB TYR A 63 -0.985 -11.321 0.367 1.00 0.00 C ATOM 977 CG TYR A 63 -1.640 -12.673 0.564 1.00 0.00 C ATOM 978 CD1 TYR A 63 -0.944 -13.724 1.148 1.00 0.00 C ATOM 979 CD2 TYR A 63 -2.951 -12.897 0.164 1.00 0.00 C ATOM 980 CE1 TYR A 63 -1.536 -14.961 1.327 1.00 0.00 C ATOM 981 CE2 TYR A 63 -3.550 -14.130 0.341 1.00 0.00 C ATOM 982 CZ TYR A 63 -2.840 -15.157 0.922 1.00 0.00 C ATOM 983 OH TYR A 63 -3.434 -16.387 1.098 1.00 0.00 O ATOM 0 H TYR A 63 -2.064 -8.952 2.293 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.330 -11.029 2.476 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -1.581 -10.739 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -0.005 -11.466 -0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.076 -13.573 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.512 -12.095 -0.293 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.981 -15.768 1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.571 -14.287 0.025 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.404 -16.301 0.988 1.00 0.00 H new ATOM 993 N ASN A 64 1.173 -9.214 2.246 1.00 0.00 N ATOM 994 CA ASN A 64 2.576 -9.023 2.597 1.00 0.00 C ATOM 995 C ASN A 64 2.808 -9.238 4.093 1.00 0.00 C ATOM 996 O ASN A 64 2.333 -8.461 4.924 1.00 0.00 O ATOM 997 CB ASN A 64 3.047 -7.621 2.192 1.00 0.00 C ATOM 998 CG ASN A 64 4.365 -7.652 1.443 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.378 -7.144 1.923 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.359 -8.251 0.256 1.00 0.00 N ATOM 0 H ASN A 64 0.630 -8.352 2.188 1.00 0.00 H new ATOM 0 HA ASN A 64 3.157 -9.765 2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.287 -7.151 1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.153 -7.004 3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.217 -8.302 -0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.497 -8.659 -0.105 1.00 0.00 H new ATOM 1007 N HIS A 65 3.552 -10.294 4.423 1.00 0.00 N ATOM 1008 CA HIS A 65 3.866 -10.612 5.815 1.00 0.00 C ATOM 1009 C HIS A 65 4.940 -9.662 6.346 1.00 0.00 C ATOM 1010 O HIS A 65 5.487 -8.863 5.587 1.00 0.00 O ATOM 1011 CB HIS A 65 4.343 -12.064 5.936 1.00 0.00 C ATOM 1012 CG HIS A 65 3.232 -13.069 5.938 1.00 0.00 C ATOM 1013 ND1 HIS A 65 3.295 -14.259 6.633 1.00 0.00 N ATOM 1014 CD2 HIS A 65 2.024 -13.059 5.323 1.00 0.00 C ATOM 1015 CE1 HIS A 65 2.177 -14.938 6.444 1.00 0.00 C ATOM 1016 NE2 HIS A 65 1.389 -14.231 5.654 1.00 0.00 N ATOM 0 H HIS A 65 3.948 -10.944 3.744 1.00 0.00 H new ATOM 0 HA HIS A 65 2.961 -10.489 6.411 1.00 0.00 H new ATOM 0 HB2 HIS A 65 5.018 -12.285 5.109 1.00 0.00 H new ATOM 0 HB3 HIS A 65 4.919 -12.172 6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.634 -12.275 4.691 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.947 -15.906 6.864 1.00 0.00 H new ATOM 0 HE2 HIS A 65 0.459 -14.510 5.341 1.00 0.00 H new ATOM 1025 N THR A 66 5.228 -9.759 7.652 1.00 0.00 N ATOM 1026 CA THR A 66 6.231 -8.918 8.321 1.00 0.00 C ATOM 1027 C THR A 66 6.033 -7.428 8.006 1.00 0.00 C ATOM 1028 O THR A 66 6.349 -6.952 6.915 1.00 0.00 O ATOM 1029 CB THR A 66 7.662 -9.373 7.979 1.00 0.00 C ATOM 1030 OG1 THR A 66 8.621 -8.542 8.614 1.00 0.00 O ATOM 1031 CG2 THR A 66 7.978 -9.392 6.498 1.00 0.00 C ATOM 0 H THR A 66 4.771 -10.424 8.275 1.00 0.00 H new ATOM 0 HA THR A 66 6.088 -9.043 9.394 1.00 0.00 H new ATOM 0 HB THR A 66 7.715 -10.399 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.523 -8.849 8.385 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.005 -9.724 6.349 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.298 -10.076 5.990 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.858 -8.389 6.087 1.00 0.00 H new ATOM 1039 N ASN A 67 5.505 -6.701 8.987 1.00 0.00 N ATOM 1040 CA ASN A 67 5.248 -5.265 8.845 1.00 0.00 C ATOM 1041 C ASN A 67 6.492 -4.420 9.145 1.00 0.00 C ATOM 1042 O ASN A 67 6.392 -3.203 9.310 1.00 0.00 O ATOM 1043 CB ASN A 67 4.109 -4.850 9.781 1.00 0.00 C ATOM 1044 CG ASN A 67 2.760 -5.373 9.327 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.905 -4.609 8.882 1.00 0.00 O ATOM 1046 ND2 ASN A 67 2.557 -6.681 9.444 1.00 0.00 N ATOM 0 H ASN A 67 5.244 -7.083 9.896 1.00 0.00 H new ATOM 0 HA ASN A 67 4.969 -5.084 7.807 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.317 -5.218 10.786 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.071 -3.762 9.841 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.665 -7.086 9.160 1.00 0.00 H new ATOM 0 HD22 ASN A 67 3.293 -7.280 9.818 1.00 0.00 H new ATOM 1053 N LEU A 68 7.658 -5.063 9.216 1.00 0.00 N ATOM 1054 CA LEU A 68 8.909 -4.359 9.496 1.00 0.00 C ATOM 1055 C LEU A 68 9.382 -3.546 8.284 1.00 0.00 C ATOM 1056 O LEU A 68 9.629 -2.345 8.404 1.00 0.00 O ATOM 1057 CB LEU A 68 9.990 -5.354 9.937 1.00 0.00 C ATOM 1058 CG LEU A 68 11.404 -4.782 10.087 1.00 0.00 C ATOM 1059 CD1 LEU A 68 12.135 -5.469 11.230 1.00 0.00 C ATOM 1060 CD2 LEU A 68 12.190 -4.933 8.791 1.00 0.00 C ATOM 0 H LEU A 68 7.762 -6.069 9.084 1.00 0.00 H new ATOM 0 HA LEU A 68 8.724 -3.656 10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.691 -5.787 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.023 -6.169 9.214 1.00 0.00 H new ATOM 0 HG LEU A 68 11.319 -3.719 10.314 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.138 -5.052 11.324 1.00 0.00 H new ATOM 0 HD12 LEU A 68 11.588 -5.311 12.159 1.00 0.00 H new ATOM 0 HD13 LEU A 68 12.204 -6.538 11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 68 13.190 -4.520 8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 12.265 -5.989 8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.678 -4.398 7.991 1.00 0.00 H new ATOM 1072 N PRO A 69 9.511 -4.178 7.093 1.00 0.00 N ATOM 1073 CA PRO A 69 9.948 -3.479 5.879 1.00 0.00 C ATOM 1074 C PRO A 69 8.838 -2.586 5.316 1.00 0.00 C ATOM 1075 O PRO A 69 7.817 -2.370 5.978 1.00 0.00 O ATOM 1076 CB PRO A 69 10.284 -4.631 4.928 1.00 0.00 C ATOM 1077 CG PRO A 69 9.352 -5.714 5.331 1.00 0.00 C ATOM 1078 CD PRO A 69 9.231 -5.606 6.828 1.00 0.00 C ATOM 0 HA PRO A 69 10.787 -2.804 6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.137 -4.345 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.324 -4.941 5.029 1.00 0.00 H new ATOM 0 HG2 PRO A 69 8.381 -5.595 4.849 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.736 -6.691 5.038 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.237 -5.891 7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.943 -6.256 7.337 1.00 0.00 H new ATOM 1086 N THR A 70 9.032 -2.059 4.104 1.00 0.00 N ATOM 1087 CA THR A 70 8.021 -1.184 3.493 1.00 0.00 C ATOM 1088 C THR A 70 7.937 -1.404 1.987 1.00 0.00 C ATOM 1089 O THR A 70 8.916 -1.763 1.361 1.00 0.00 O ATOM 1090 CB THR A 70 8.355 0.285 3.779 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.535 0.498 5.171 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.292 1.251 3.298 1.00 0.00 C ATOM 0 H THR A 70 9.863 -2.217 3.533 1.00 0.00 H new ATOM 0 HA THR A 70 7.054 -1.432 3.932 1.00 0.00 H new ATOM 0 HB THR A 70 9.274 0.482 3.227 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.749 1.441 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.594 2.271 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.168 1.149 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.347 1.029 3.794 1.00 0.00 H new ATOM 1100 N VAL A 71 6.764 -1.178 1.411 1.00 0.00 N ATOM 1101 CA VAL A 71 6.579 -1.346 -0.034 1.00 0.00 C ATOM 1102 C VAL A 71 6.118 -0.041 -0.689 1.00 0.00 C ATOM 1103 O VAL A 71 5.814 0.933 -0.004 1.00 0.00 O ATOM 1104 CB VAL A 71 5.568 -2.464 -0.355 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.108 -3.816 0.095 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.222 -2.170 0.290 1.00 0.00 C ATOM 0 H VAL A 71 5.928 -0.880 1.914 1.00 0.00 H new ATOM 0 HA VAL A 71 7.550 -1.628 -0.442 1.00 0.00 H new ATOM 0 HB VAL A 71 5.422 -2.501 -1.435 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.382 -4.594 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.044 -4.025 -0.424 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.286 -3.797 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.522 -2.971 0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.343 -2.104 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.835 -1.225 -0.090 1.00 0.00 H new ATOM 1116 N THR A 72 6.078 -0.024 -2.020 1.00 0.00 N ATOM 1117 CA THR A 72 5.658 1.171 -2.756 1.00 0.00 C ATOM 1118 C THR A 72 4.129 1.286 -2.802 1.00 0.00 C ATOM 1119 O THR A 72 3.426 0.274 -2.839 1.00 0.00 O ATOM 1120 CB THR A 72 6.220 1.152 -4.185 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.340 -0.175 -4.670 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.581 1.807 -4.302 1.00 0.00 C ATOM 0 H THR A 72 6.329 -0.818 -2.609 1.00 0.00 H new ATOM 0 HA THR A 72 6.054 2.038 -2.228 1.00 0.00 H new ATOM 0 HB THR A 72 5.504 1.722 -4.778 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.698 -0.159 -5.582 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.920 1.759 -5.337 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.511 2.849 -3.991 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.292 1.284 -3.663 1.00 0.00 H new ATOM 1130 N PRO A 73 3.592 2.529 -2.814 1.00 0.00 N ATOM 1131 CA PRO A 73 2.139 2.767 -2.871 1.00 0.00 C ATOM 1132 C PRO A 73 1.542 2.334 -4.206 1.00 0.00 C ATOM 1133 O PRO A 73 0.420 1.827 -4.263 1.00 0.00 O ATOM 1134 CB PRO A 73 2.019 4.283 -2.706 1.00 0.00 C ATOM 1135 CG PRO A 73 3.321 4.815 -3.189 1.00 0.00 C ATOM 1136 CD PRO A 73 4.351 3.795 -2.789 1.00 0.00 C ATOM 0 HA PRO A 73 1.601 2.199 -2.112 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.187 4.681 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.840 4.556 -1.666 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.309 4.957 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.537 5.786 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.191 3.776 -3.484 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.760 4.001 -1.800 1.00 0.00 H new ATOM 1144 N THR A 74 2.315 2.534 -5.277 1.00 0.00 N ATOM 1145 CA THR A 74 1.890 2.160 -6.626 1.00 0.00 C ATOM 1146 C THR A 74 1.584 0.658 -6.725 1.00 0.00 C ATOM 1147 O THR A 74 0.955 0.216 -7.688 1.00 0.00 O ATOM 1148 CB THR A 74 2.963 2.552 -7.653 1.00 0.00 C ATOM 1149 OG1 THR A 74 2.587 2.157 -8.964 1.00 0.00 O ATOM 1150 CG2 THR A 74 4.323 1.946 -7.368 1.00 0.00 C ATOM 0 H THR A 74 3.243 2.955 -5.234 1.00 0.00 H new ATOM 0 HA THR A 74 0.971 2.703 -6.846 1.00 0.00 H new ATOM 0 HB THR A 74 3.040 3.637 -7.575 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.904 1.457 -8.911 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.031 2.265 -8.133 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.671 2.278 -6.390 1.00 0.00 H new ATOM 0 HG23 THR A 74 4.246 0.859 -7.376 1.00 0.00 H new ATOM 1158 N TYR A 75 2.023 -0.118 -5.723 1.00 0.00 N ATOM 1159 CA TYR A 75 1.785 -1.563 -5.692 1.00 0.00 C ATOM 1160 C TYR A 75 0.330 -1.889 -6.037 1.00 0.00 C ATOM 1161 O TYR A 75 0.056 -2.902 -6.678 1.00 0.00 O ATOM 1162 CB TYR A 75 2.129 -2.126 -4.310 1.00 0.00 C ATOM 1163 CG TYR A 75 2.191 -3.639 -4.261 1.00 0.00 C ATOM 1164 CD1 TYR A 75 1.050 -4.396 -4.022 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.392 -4.307 -4.454 1.00 0.00 C ATOM 1166 CE1 TYR A 75 1.107 -5.776 -3.975 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.457 -5.685 -4.408 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.313 -6.415 -4.168 1.00 0.00 C ATOM 1169 OH TYR A 75 2.376 -7.789 -4.121 1.00 0.00 O ATOM 0 H TYR A 75 2.546 0.236 -4.922 1.00 0.00 H new ATOM 0 HA TYR A 75 2.428 -2.026 -6.440 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.091 -1.722 -3.993 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.386 -1.779 -3.592 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.104 -3.898 -3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.291 -3.739 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.212 -6.350 -3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.400 -6.189 -4.559 1.00 0.00 H new ATOM 0 HH TYR A 75 3.224 -8.091 -4.507 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.596 -1.021 -5.617 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.019 -1.220 -5.895 1.00 0.00 C ATOM 1181 C ILE A 76 -2.276 -1.319 -7.399 1.00 0.00 C ATOM 1182 O ILE A 76 -2.980 -2.216 -7.853 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.881 -0.081 -5.308 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.700 0.002 -3.789 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.350 -0.276 -5.667 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.222 -1.208 -3.043 1.00 0.00 C ATOM 0 H ILE A 76 -0.385 -0.177 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.304 -2.157 -5.416 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.548 0.861 -5.744 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.640 0.126 -3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.210 0.892 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.939 0.537 -5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.462 -0.279 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.700 -1.226 -5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.058 -1.075 -1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.289 -1.322 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.695 -2.100 -3.382 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.692 -0.394 -8.165 1.00 0.00 N ATOM 1199 CA LYS A 77 -1.853 -0.385 -9.621 1.00 0.00 C ATOM 1200 C LYS A 77 -1.363 -1.698 -10.242 1.00 0.00 C ATOM 1201 O LYS A 77 -1.878 -2.131 -11.270 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.097 0.796 -10.237 1.00 0.00 C ATOM 1203 CG LYS A 77 -2.003 1.840 -10.873 1.00 0.00 C ATOM 1204 CD LYS A 77 -2.266 1.536 -12.342 1.00 0.00 C ATOM 1205 CE LYS A 77 -1.002 1.669 -13.182 1.00 0.00 C ATOM 1206 NZ LYS A 77 -0.413 0.344 -13.532 1.00 0.00 N ATOM 0 H LYS A 77 -1.105 0.357 -7.802 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.916 -0.279 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.495 1.273 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.406 0.420 -10.992 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.950 1.878 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.544 2.825 -10.781 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.662 0.525 -12.439 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.029 2.215 -12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.232 2.215 -14.097 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.266 2.259 -12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.618 0.376 -13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.819 -0.390 -12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.626 0.121 -14.525 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.368 -2.323 -9.606 1.00 0.00 N ATOM 1221 CA ALA A 78 0.187 -3.586 -10.089 1.00 0.00 C ATOM 1222 C ALA A 78 -0.547 -4.785 -9.484 1.00 0.00 C ATOM 1223 O ALA A 78 -0.591 -5.858 -10.083 1.00 0.00 O ATOM 1224 CB ALA A 78 1.672 -3.666 -9.769 1.00 0.00 C ATOM 0 H ALA A 78 0.069 -1.972 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 78 0.052 -3.618 -11.170 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.072 -4.612 -10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.193 -2.840 -10.253 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.816 -3.604 -8.690 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.122 -4.599 -8.297 1.00 0.00 N ATOM 1231 CA CYS A 79 -1.852 -5.666 -7.618 1.00 0.00 C ATOM 1232 C CYS A 79 -3.292 -5.751 -8.121 1.00 0.00 C ATOM 1233 O CYS A 79 -3.888 -6.826 -8.137 1.00 0.00 O ATOM 1234 CB CYS A 79 -1.842 -5.433 -6.107 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.168 -6.917 -5.128 1.00 0.00 S ATOM 0 H CYS A 79 -1.096 -3.717 -7.785 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.354 -6.610 -7.839 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -0.872 -5.027 -5.819 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.589 -4.678 -5.862 1.00 0.00 H new ATOM 0 HG CYS A 79 -2.122 -7.963 -5.898 1.00 0.00 H new ATOM 1241 N CYS A 80 -3.843 -4.609 -8.531 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.210 -4.553 -9.037 1.00 0.00 C ATOM 1243 C CYS A 80 -5.257 -4.860 -10.536 1.00 0.00 C ATOM 1244 O CYS A 80 -6.227 -5.442 -11.023 1.00 0.00 O ATOM 1245 CB CYS A 80 -5.821 -3.176 -8.761 1.00 0.00 C ATOM 1246 SG CYS A 80 -7.625 -3.181 -8.645 1.00 0.00 S ATOM 0 H CYS A 80 -3.361 -3.710 -8.522 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.794 -5.312 -8.517 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.409 -2.787 -7.830 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -5.520 -2.491 -9.554 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.048 -1.975 -8.408 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.209 -4.461 -11.263 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.144 -4.695 -12.706 1.00 0.00 C ATOM 1254 C GLN A 81 -3.383 -5.982 -13.027 1.00 0.00 C ATOM 1255 O GLN A 81 -3.840 -6.790 -13.836 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.485 -3.508 -13.416 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.188 -2.180 -13.169 1.00 0.00 C ATOM 1258 CD GLN A 81 -5.319 -1.921 -14.147 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -5.981 -2.850 -14.612 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -5.552 -0.651 -14.465 1.00 0.00 N ATOM 0 H GLN A 81 -3.398 -3.977 -10.877 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.166 -4.803 -13.068 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.449 -3.428 -13.086 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.463 -3.704 -14.488 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.583 -2.167 -12.153 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.461 -1.371 -13.239 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.981 0.090 -14.058 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.302 -0.418 -15.116 1.00 0.00 H new ATOM 1269 N SER A 82 -2.224 -6.172 -12.392 1.00 0.00 N ATOM 1270 CA SER A 82 -1.413 -7.370 -12.623 1.00 0.00 C ATOM 1271 C SER A 82 -1.788 -8.507 -11.666 1.00 0.00 C ATOM 1272 O SER A 82 -1.312 -9.633 -11.825 1.00 0.00 O ATOM 1273 CB SER A 82 0.079 -7.042 -12.479 1.00 0.00 C ATOM 1274 OG SER A 82 0.800 -7.420 -13.639 1.00 0.00 O ATOM 0 H SER A 82 -1.828 -5.517 -11.718 1.00 0.00 H new ATOM 0 HA SER A 82 -1.615 -7.706 -13.640 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.204 -5.974 -12.302 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.486 -7.559 -11.610 1.00 0.00 H new ATOM 0 HG SER A 82 1.747 -7.199 -13.522 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.640 -8.213 -10.673 1.00 0.00 N ATOM 1281 CA ASN A 83 -3.073 -9.212 -9.692 1.00 0.00 C ATOM 1282 C ASN A 83 -1.928 -9.586 -8.752 1.00 0.00 C ATOM 1283 O ASN A 83 -1.913 -9.180 -7.590 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.620 -10.463 -10.393 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.949 -10.910 -9.816 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -5.009 -11.846 -9.019 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -6.026 -10.242 -10.216 1.00 0.00 N ATOM 0 H ASN A 83 -3.043 -7.287 -10.530 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.874 -8.772 -9.098 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.739 -10.258 -11.457 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.896 -11.273 -10.303 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.947 -10.499 -9.861 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.932 -9.472 -10.878 1.00 0.00 H new ATOM 1294 N SER A 84 -0.966 -10.352 -9.266 1.00 0.00 N ATOM 1295 CA SER A 84 0.192 -10.777 -8.479 1.00 0.00 C ATOM 1296 C SER A 84 1.230 -11.472 -9.365 1.00 0.00 C ATOM 1297 O SER A 84 1.888 -12.424 -8.940 1.00 0.00 O ATOM 1298 CB SER A 84 -0.248 -11.712 -7.346 1.00 0.00 C ATOM 1299 OG SER A 84 0.509 -11.479 -6.170 1.00 0.00 O ATOM 0 H SER A 84 -0.966 -10.692 -10.228 1.00 0.00 H new ATOM 0 HA SER A 84 0.652 -9.889 -8.045 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.307 -11.561 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.129 -12.749 -7.659 1.00 0.00 H new ATOM 0 HG SER A 84 0.209 -12.086 -5.462 1.00 0.00 H new ATOM 1305 N LEU A 85 1.373 -10.985 -10.599 1.00 0.00 N ATOM 1306 CA LEU A 85 2.328 -11.552 -11.546 1.00 0.00 C ATOM 1307 C LEU A 85 3.564 -10.659 -11.691 1.00 0.00 C ATOM 1308 O LEU A 85 4.231 -10.670 -12.728 1.00 0.00 O ATOM 1309 CB LEU A 85 1.652 -11.751 -12.909 1.00 0.00 C ATOM 1310 CG LEU A 85 1.465 -13.208 -13.341 1.00 0.00 C ATOM 1311 CD1 LEU A 85 0.698 -13.280 -14.654 1.00 0.00 C ATOM 1312 CD2 LEU A 85 2.813 -13.905 -13.466 1.00 0.00 C ATOM 0 H LEU A 85 0.837 -10.198 -10.964 1.00 0.00 H new ATOM 0 HA LEU A 85 2.658 -12.517 -11.163 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.675 -11.268 -12.885 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.243 -11.238 -13.667 1.00 0.00 H new ATOM 0 HG LEU A 85 0.884 -13.723 -12.576 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.574 -14.323 -14.946 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.282 -12.819 -14.529 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.252 -12.749 -15.428 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.661 -14.939 -13.774 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.421 -13.391 -14.210 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.324 -13.884 -12.503 1.00 0.00 H new ATOM 1324 N LEU A 86 3.870 -9.887 -10.643 1.00 0.00 N ATOM 1325 CA LEU A 86 5.024 -8.990 -10.654 1.00 0.00 C ATOM 1326 C LEU A 86 5.488 -8.677 -9.229 1.00 0.00 C ATOM 1327 O LEU A 86 5.251 -7.583 -8.710 1.00 0.00 O ATOM 1328 CB LEU A 86 4.680 -7.696 -11.401 1.00 0.00 C ATOM 1329 CG LEU A 86 5.722 -7.234 -12.422 1.00 0.00 C ATOM 1330 CD1 LEU A 86 5.968 -8.314 -13.465 1.00 0.00 C ATOM 1331 CD2 LEU A 86 5.273 -5.942 -13.086 1.00 0.00 C ATOM 0 H LEU A 86 3.332 -9.867 -9.777 1.00 0.00 H new ATOM 0 HA LEU A 86 5.842 -9.490 -11.173 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.729 -7.834 -11.915 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.535 -6.901 -10.669 1.00 0.00 H new ATOM 0 HG LEU A 86 6.660 -7.048 -11.898 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.712 -7.965 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.332 -9.217 -12.975 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.037 -8.534 -13.987 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.024 -5.625 -13.810 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.324 -6.106 -13.596 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.149 -5.168 -12.329 1.00 0.00 H new ATOM 1343 N ASN A 87 6.153 -9.648 -8.603 1.00 0.00 N ATOM 1344 CA ASN A 87 6.655 -9.480 -7.239 1.00 0.00 C ATOM 1345 C ASN A 87 7.929 -8.644 -7.223 1.00 0.00 C ATOM 1346 O ASN A 87 8.211 -7.959 -6.239 1.00 0.00 O ATOM 1347 CB ASN A 87 6.907 -10.840 -6.582 1.00 0.00 C ATOM 1348 CG ASN A 87 6.655 -10.814 -5.086 1.00 0.00 C ATOM 1349 OD1 ASN A 87 5.627 -11.297 -4.611 1.00 0.00 O ATOM 1350 ND2 ASN A 87 7.591 -10.246 -4.334 1.00 0.00 N ATOM 0 H ASN A 87 6.356 -10.557 -9.018 1.00 0.00 H new ATOM 0 HA ASN A 87 5.892 -8.952 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.263 -11.589 -7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.936 -11.146 -6.769 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.473 -10.198 -3.322 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.428 -9.858 -4.768 1.00 0.00 H new ATOM 1357 N MET A 88 8.685 -8.686 -8.320 1.00 0.00 N ATOM 1358 CA MET A 88 9.916 -7.907 -8.429 1.00 0.00 C ATOM 1359 C MET A 88 9.618 -6.412 -8.298 1.00 0.00 C ATOM 1360 O MET A 88 10.502 -5.623 -7.959 1.00 0.00 O ATOM 1361 CB MET A 88 10.609 -8.188 -9.767 1.00 0.00 C ATOM 1362 CG MET A 88 12.122 -8.295 -9.660 1.00 0.00 C ATOM 1363 SD MET A 88 12.861 -9.141 -11.070 1.00 0.00 S ATOM 1364 CE MET A 88 12.537 -10.852 -10.650 1.00 0.00 C ATOM 0 H MET A 88 8.467 -9.249 -9.142 1.00 0.00 H new ATOM 0 HA MET A 88 10.582 -8.203 -7.618 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.216 -9.116 -10.182 1.00 0.00 H new ATOM 0 HB3 MET A 88 10.358 -7.394 -10.470 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.548 -7.295 -9.577 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.381 -8.828 -8.745 1.00 0.00 H new ATOM 0 HE1 MET A 88 13.465 -11.422 -10.704 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.135 -10.909 -9.638 1.00 0.00 H new ATOM 0 HE3 MET A 88 11.814 -11.268 -11.351 1.00 0.00 H new ATOM 1374 N GLU A 89 8.364 -6.028 -8.568 1.00 0.00 N ATOM 1375 CA GLU A 89 7.950 -4.630 -8.481 1.00 0.00 C ATOM 1376 C GLU A 89 7.534 -4.226 -7.073 1.00 0.00 C ATOM 1377 O GLU A 89 7.162 -3.071 -6.853 1.00 0.00 O ATOM 1378 CB GLU A 89 6.824 -4.340 -9.477 1.00 0.00 C ATOM 1379 CG GLU A 89 7.115 -3.169 -10.403 1.00 0.00 C ATOM 1380 CD GLU A 89 7.888 -3.579 -11.642 1.00 0.00 C ATOM 1381 OE1 GLU A 89 8.991 -4.148 -11.496 1.00 0.00 O ATOM 1382 OE2 GLU A 89 7.391 -3.330 -12.760 1.00 0.00 O ATOM 0 H GLU A 89 7.622 -6.669 -8.848 1.00 0.00 H new ATOM 0 HA GLU A 89 8.821 -4.027 -8.739 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.644 -5.231 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.906 -4.137 -8.925 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.175 -2.706 -10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.683 -2.414 -9.859 1.00 0.00 H new ATOM 1389 N ASN A 90 7.636 -5.147 -6.111 1.00 0.00 N ATOM 1390 CA ASN A 90 7.309 -4.820 -4.728 1.00 0.00 C ATOM 1391 C ASN A 90 8.054 -3.549 -4.328 1.00 0.00 C ATOM 1392 O ASN A 90 7.554 -2.745 -3.539 1.00 0.00 O ATOM 1393 CB ASN A 90 7.700 -5.966 -3.789 1.00 0.00 C ATOM 1394 CG ASN A 90 6.496 -6.711 -3.246 1.00 0.00 C ATOM 1395 OD1 ASN A 90 6.010 -6.417 -2.155 1.00 0.00 O ATOM 1396 ND2 ASN A 90 6.008 -7.684 -4.008 1.00 0.00 N ATOM 0 H ASN A 90 7.938 -6.109 -6.264 1.00 0.00 H new ATOM 0 HA ASN A 90 6.233 -4.665 -4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 90 8.344 -6.664 -4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.281 -5.567 -2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 90 5.199 -8.220 -3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 90 6.442 -7.895 -4.907 1.00 0.00 H new ATOM 1403 N TYR A 91 9.259 -3.381 -4.902 1.00 0.00 N ATOM 1404 CA TYR A 91 10.104 -2.220 -4.643 1.00 0.00 C ATOM 1405 C TYR A 91 10.090 -1.856 -3.165 1.00 0.00 C ATOM 1406 O TYR A 91 10.024 -0.684 -2.784 1.00 0.00 O ATOM 1407 CB TYR A 91 9.661 -1.044 -5.519 1.00 0.00 C ATOM 1408 CG TYR A 91 10.758 -0.040 -5.787 1.00 0.00 C ATOM 1409 CD1 TYR A 91 11.609 -0.197 -6.872 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.947 1.059 -4.959 1.00 0.00 C ATOM 1411 CE1 TYR A 91 12.616 0.712 -7.126 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.953 1.974 -5.205 1.00 0.00 C ATOM 1413 CZ TYR A 91 12.785 1.794 -6.290 1.00 0.00 C ATOM 1414 OH TYR A 91 13.788 2.703 -6.541 1.00 0.00 O ATOM 0 H TYR A 91 9.666 -4.050 -5.556 1.00 0.00 H new ATOM 0 HA TYR A 91 11.133 -2.468 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.293 -1.429 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.826 -0.537 -5.036 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.481 -1.045 -7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.297 1.201 -4.108 1.00 0.00 H new ATOM 0 HE1 TYR A 91 13.268 0.576 -7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 91 12.087 2.824 -4.552 1.00 0.00 H new ATOM 0 HH TYR A 91 13.770 3.406 -5.859 1.00 0.00 H new ATOM 1424 N LEU A 92 10.139 -2.894 -2.343 1.00 0.00 N ATOM 1425 CA LEU A 92 10.121 -2.745 -0.897 1.00 0.00 C ATOM 1426 C LEU A 92 11.508 -2.422 -0.333 1.00 0.00 C ATOM 1427 O LEU A 92 12.535 -2.803 -0.903 1.00 0.00 O ATOM 1428 CB LEU A 92 9.582 -4.025 -0.242 1.00 0.00 C ATOM 1429 CG LEU A 92 10.335 -5.317 -0.582 1.00 0.00 C ATOM 1430 CD1 LEU A 92 11.419 -5.595 0.449 1.00 0.00 C ATOM 1431 CD2 LEU A 92 9.366 -6.491 -0.669 1.00 0.00 C ATOM 0 H LEU A 92 10.192 -3.862 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 92 9.465 -1.906 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.598 -3.891 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.539 -4.148 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 92 10.813 -5.190 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.941 -6.516 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 92 12.128 -4.768 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.965 -5.701 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.917 -7.400 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.860 -6.617 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.627 -6.296 -1.447 1.00 0.00 H new ATOM 1443 N VAL A 93 11.517 -1.740 0.814 1.00 0.00 N ATOM 1444 CA VAL A 93 12.754 -1.387 1.496 1.00 0.00 C ATOM 1445 C VAL A 93 13.355 -2.644 2.109 1.00 0.00 C ATOM 1446 O VAL A 93 12.658 -3.387 2.816 1.00 0.00 O ATOM 1447 CB VAL A 93 12.547 -0.337 2.616 1.00 0.00 C ATOM 1448 CG1 VAL A 93 13.888 0.140 3.163 1.00 0.00 C ATOM 1449 CG2 VAL A 93 11.711 0.836 2.122 1.00 0.00 C ATOM 0 H VAL A 93 10.673 -1.421 1.289 1.00 0.00 H new ATOM 0 HA VAL A 93 13.419 -0.946 0.753 1.00 0.00 H new ATOM 0 HB VAL A 93 12.000 -0.815 3.428 1.00 0.00 H new ATOM 0 HG11 VAL A 93 13.719 0.877 3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.436 -0.708 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.468 0.593 2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.582 1.557 2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.217 1.316 1.284 1.00 0.00 H new ATOM 0 HG23 VAL A 93 10.735 0.476 1.798 1.00 0.00 H new ATOM 1459 N PRO A 94 14.651 -2.899 1.812 1.00 0.00 N ATOM 1460 CA PRO A 94 15.394 -4.077 2.284 1.00 0.00 C ATOM 1461 C PRO A 94 15.183 -4.419 3.756 1.00 0.00 C ATOM 1462 O PRO A 94 14.676 -3.613 4.538 1.00 0.00 O ATOM 1463 CB PRO A 94 16.852 -3.685 2.047 1.00 0.00 C ATOM 1464 CG PRO A 94 16.817 -2.766 0.882 1.00 0.00 C ATOM 1465 CD PRO A 94 15.493 -2.045 0.945 1.00 0.00 C ATOM 0 HA PRO A 94 15.060 -4.972 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.277 -3.196 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.468 -4.560 1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 94 17.646 -2.059 0.920 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.913 -3.320 -0.052 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.605 -1.044 1.361 1.00 0.00 H new ATOM 0 HD3 PRO A 94 15.055 -1.931 -0.047 1.00 0.00 H new ATOM 1473 N TYR A 95 15.591 -5.633 4.120 1.00 0.00 N ATOM 1474 CA TYR A 95 15.464 -6.113 5.490 1.00 0.00 C ATOM 1475 C TYR A 95 16.618 -5.608 6.364 1.00 0.00 C ATOM 1476 O TYR A 95 16.440 -5.377 7.559 1.00 0.00 O ATOM 1477 CB TYR A 95 15.415 -7.645 5.512 1.00 0.00 C ATOM 1478 CG TYR A 95 14.046 -8.213 5.196 1.00 0.00 C ATOM 1479 CD1 TYR A 95 12.921 -7.798 5.897 1.00 0.00 C ATOM 1480 CD2 TYR A 95 13.880 -9.163 4.193 1.00 0.00 C ATOM 1481 CE1 TYR A 95 11.671 -8.312 5.610 1.00 0.00 C ATOM 1482 CE2 TYR A 95 12.633 -9.680 3.901 1.00 0.00 C ATOM 1483 CZ TYR A 95 11.532 -9.252 4.611 1.00 0.00 C ATOM 1484 OH TYR A 95 10.286 -9.764 4.321 1.00 0.00 O ATOM 0 H TYR A 95 16.015 -6.304 3.479 1.00 0.00 H new ATOM 0 HA TYR A 95 14.533 -5.721 5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 95 16.135 -8.034 4.792 1.00 0.00 H new ATOM 0 HB3 TYR A 95 15.727 -7.996 6.496 1.00 0.00 H new ATOM 0 HD1 TYR A 95 13.025 -7.061 6.680 1.00 0.00 H new ATOM 0 HD2 TYR A 95 14.740 -9.501 3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 95 10.807 -7.979 6.166 1.00 0.00 H new ATOM 0 HE2 TYR A 95 12.521 -10.417 3.119 1.00 0.00 H new ATOM 0 HH TYR A 95 10.361 -10.414 3.591 1.00 0.00 H new ATOM 1494 N ASP A 96 17.798 -5.443 5.757 1.00 0.00 N ATOM 1495 CA ASP A 96 18.980 -4.969 6.477 1.00 0.00 C ATOM 1496 C ASP A 96 18.792 -3.529 6.950 1.00 0.00 C ATOM 1497 O ASP A 96 18.907 -3.240 8.143 1.00 0.00 O ATOM 1498 CB ASP A 96 20.222 -5.066 5.584 1.00 0.00 C ATOM 1499 CG ASP A 96 20.908 -6.417 5.673 1.00 0.00 C ATOM 1500 OD1 ASP A 96 20.201 -7.448 5.703 1.00 0.00 O ATOM 1501 OD2 ASP A 96 22.157 -6.445 5.707 1.00 0.00 O ATOM 0 H ASP A 96 17.958 -5.632 4.767 1.00 0.00 H new ATOM 0 HA ASP A 96 19.118 -5.604 7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 96 19.935 -4.877 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 96 20.929 -4.286 5.867 1.00 0.00 H new ATOM 1506 N ASN A 97 18.502 -2.633 6.008 1.00 0.00 N ATOM 1507 CA ASN A 97 18.294 -1.223 6.321 1.00 0.00 C ATOM 1508 C ASN A 97 16.923 -0.758 5.834 1.00 0.00 C ATOM 1509 O ASN A 97 16.576 -1.050 4.668 1.00 0.00 O ATOM 1510 CB ASN A 97 19.398 -0.372 5.684 1.00 0.00 C ATOM 1511 CG ASN A 97 19.555 0.981 6.359 1.00 0.00 C ATOM 1512 OD1 ASN A 97 19.230 1.145 7.536 1.00 0.00 O ATOM 1513 ND2 ASN A 97 20.061 1.959 5.615 1.00 0.00 N ATOM 0 H ASN A 97 18.406 -2.861 5.019 1.00 0.00 H new ATOM 0 HA ASN A 97 18.334 -1.101 7.403 1.00 0.00 H new ATOM 0 HB2 ASN A 97 20.344 -0.912 5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 97 19.173 -0.223 4.628 1.00 0.00 H new ATOM 0 HD21 ASN A 97 20.193 2.888 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.317 1.781 4.644 1.00 0.00 H new TER 1520 ASN A 97