USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 766 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 16 HIS :FLIP no HD1:sc= -0.701 F(o=-2.2,f=-1.7) USER MOD Set 1.3: A 64 GLN : amide:sc= -0.971 X(o=-1.7,f=-2!) USER MOD Set 2.1: A 8 MET CE :methyl -179:sc= -0.408 (180deg=-0.41) USER MOD Set 2.2: A 52 THR OG1 : rot 120:sc= -0.145 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0387 K(o=-0.039,f=-1.8!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 18 GLN : amide:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -15:sc= 0.151 USER MOD Single : A 37 CYS SG : rot 65:sc= 0.622 USER MOD Single : A 38 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-2.4) USER MOD Single : A 40 LYS NZ :NH3+ -116:sc= -1.53 (180deg=-4.98!) USER MOD Single : A 42 THR OG1 : rot -10:sc= 0.513 USER MOD Single : A 43 THR OG1 : rot 73:sc= 0.985 USER MOD Single : A 44 TYR OH : rot 90:sc= 0 USER MOD Single : A 46 SER OG : rot -41:sc= 0.546 USER MOD Single : A 49 MET CE :methyl 152:sc= -4.38 (180deg=-6.77!) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc=-0.00197 (180deg=-0.0923) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.05 K(o=-0.05,f=-0.7) USER MOD Single : A 58 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-4.9!) USER MOD Single : A 60 SER OG : rot -140:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -3.52! C(o=-3.5!,f=-3.5!) USER MOD Single : A 69 MET CE :methyl -157:sc= -1.51 (180deg=-2.12) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.536 X(o=-0.54,f=-0.22) USER MOD Single : A 76 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.26) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 152:sc= -0.308 (180deg=-1.32) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -1.55 F(o=-2.3,f=-1.5) USER MOD Single : A 92 SER OG : rot 33:sc= 0.899 USER MOD Single : A 95 SER OG : rot -18:sc= 1! USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.640 8.022 16.525 1.00 0.00 N ATOM 2 CA GLY A 1 4.157 8.173 15.165 1.00 0.00 C ATOM 3 C GLY A 1 2.956 9.093 15.075 1.00 0.00 C ATOM 4 O GLY A 1 1.813 8.642 15.150 1.00 0.00 O ATOM 0 H1 GLY A 1 5.461 7.384 16.533 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.920 8.951 16.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.886 7.622 17.119 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.959 8.565 14.539 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.891 7.194 14.766 1.00 0.00 H new ATOM 8 N SER A 2 3.214 10.387 14.916 1.00 0.00 N ATOM 9 CA SER A 2 2.145 11.374 14.821 1.00 0.00 C ATOM 10 C SER A 2 2.039 11.926 13.403 1.00 0.00 C ATOM 11 O SER A 2 3.012 11.922 12.649 1.00 0.00 O ATOM 12 CB SER A 2 2.387 12.516 15.809 1.00 0.00 C ATOM 13 OG SER A 2 2.350 12.050 17.147 1.00 0.00 O ATOM 0 H SER A 2 4.154 10.776 14.850 1.00 0.00 H new ATOM 0 HA SER A 2 1.206 10.881 15.071 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.354 12.976 15.608 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.631 13.289 15.669 1.00 0.00 H new ATOM 0 HG SER A 2 2.509 12.799 17.759 1.00 0.00 H new ATOM 19 N SER A 3 0.850 12.402 13.047 1.00 0.00 N ATOM 20 CA SER A 3 0.615 12.955 11.718 1.00 0.00 C ATOM 21 C SER A 3 -0.786 13.551 11.618 1.00 0.00 C ATOM 22 O SER A 3 -1.783 12.853 11.798 1.00 0.00 O ATOM 23 CB SER A 3 0.800 11.873 10.653 1.00 0.00 C ATOM 24 OG SER A 3 0.382 12.335 9.379 1.00 0.00 O ATOM 0 H SER A 3 0.035 12.416 13.660 1.00 0.00 H new ATOM 0 HA SER A 3 1.341 13.750 11.548 1.00 0.00 H new ATOM 0 HB2 SER A 3 1.848 11.576 10.610 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.228 10.986 10.927 1.00 0.00 H new ATOM 0 HG SER A 3 0.511 11.626 8.715 1.00 0.00 H new ATOM 30 N GLY A 4 -0.852 14.847 11.329 1.00 0.00 N ATOM 31 CA GLY A 4 -2.135 15.515 11.210 1.00 0.00 C ATOM 32 C GLY A 4 -2.086 16.952 11.689 1.00 0.00 C ATOM 33 O GLY A 4 -2.575 17.269 12.774 1.00 0.00 O ATOM 0 H GLY A 4 -0.041 15.446 11.175 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.458 15.493 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.881 14.968 11.787 1.00 0.00 H new ATOM 37 N SER A 5 -1.494 17.825 10.880 1.00 0.00 N ATOM 38 CA SER A 5 -1.379 19.236 11.230 1.00 0.00 C ATOM 39 C SER A 5 -1.672 20.121 10.023 1.00 0.00 C ATOM 40 O SER A 5 -1.380 19.754 8.885 1.00 0.00 O ATOM 41 CB SER A 5 0.021 19.536 11.769 1.00 0.00 C ATOM 42 OG SER A 5 0.013 20.684 12.600 1.00 0.00 O ATOM 0 H SER A 5 -1.087 17.580 9.978 1.00 0.00 H new ATOM 0 HA SER A 5 -2.114 19.454 12.005 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.389 18.678 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.709 19.690 10.938 1.00 0.00 H new ATOM 0 HG SER A 5 0.919 20.853 12.933 1.00 0.00 H new ATOM 48 N SER A 6 -2.252 21.289 10.280 1.00 0.00 N ATOM 49 CA SER A 6 -2.589 22.226 9.215 1.00 0.00 C ATOM 50 C SER A 6 -1.448 22.340 8.210 1.00 0.00 C ATOM 51 O SER A 6 -0.298 22.572 8.582 1.00 0.00 O ATOM 52 CB SER A 6 -2.907 23.604 9.801 1.00 0.00 C ATOM 53 OG SER A 6 -2.949 24.592 8.786 1.00 0.00 O ATOM 0 H SER A 6 -2.498 21.609 11.217 1.00 0.00 H new ATOM 0 HA SER A 6 -3.470 21.847 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.865 23.570 10.320 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.153 23.871 10.542 1.00 0.00 H new ATOM 0 HG SER A 6 -3.155 25.463 9.185 1.00 0.00 H new ATOM 59 N GLY A 7 -1.774 22.174 6.931 1.00 0.00 N ATOM 60 CA GLY A 7 -0.767 22.261 5.891 1.00 0.00 C ATOM 61 C GLY A 7 -1.337 22.009 4.509 1.00 0.00 C ATOM 62 O GLY A 7 -2.424 22.485 4.183 1.00 0.00 O ATOM 0 H GLY A 7 -2.718 21.981 6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.307 23.249 5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.022 21.537 6.093 1.00 0.00 H new ATOM 66 N MET A 8 -0.600 21.261 3.694 1.00 0.00 N ATOM 67 CA MET A 8 -1.040 20.947 2.340 1.00 0.00 C ATOM 68 C MET A 8 -2.399 20.255 2.355 1.00 0.00 C ATOM 69 O MET A 8 -2.479 19.027 2.370 1.00 0.00 O ATOM 70 CB MET A 8 -0.010 20.059 1.639 1.00 0.00 C ATOM 71 CG MET A 8 -0.241 19.923 0.143 1.00 0.00 C ATOM 72 SD MET A 8 0.134 21.438 -0.758 1.00 0.00 S ATOM 73 CE MET A 8 0.927 20.775 -2.221 1.00 0.00 C ATOM 0 H MET A 8 0.304 20.862 3.948 1.00 0.00 H new ATOM 0 HA MET A 8 -1.136 21.883 1.791 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.986 20.469 1.809 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.028 19.068 2.093 1.00 0.00 H new ATOM 0 HG2 MET A 8 0.377 19.113 -0.244 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.280 19.646 -0.037 1.00 0.00 H new ATOM 0 HE1 MET A 8 1.234 21.594 -2.871 1.00 0.00 H new ATOM 0 HE2 MET A 8 1.803 20.195 -1.929 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.227 20.131 -2.754 1.00 0.00 H new ATOM 83 N GLU A 9 -3.464 21.051 2.352 1.00 0.00 N ATOM 84 CA GLU A 9 -4.819 20.513 2.367 1.00 0.00 C ATOM 85 C GLU A 9 -5.324 20.270 0.948 1.00 0.00 C ATOM 86 O GLU A 9 -5.655 21.210 0.226 1.00 0.00 O ATOM 87 CB GLU A 9 -5.763 21.468 3.100 1.00 0.00 C ATOM 88 CG GLU A 9 -5.486 21.574 4.590 1.00 0.00 C ATOM 89 CD GLU A 9 -6.647 22.176 5.358 1.00 0.00 C ATOM 90 OE1 GLU A 9 -7.003 23.340 5.077 1.00 0.00 O ATOM 91 OE2 GLU A 9 -7.199 21.484 6.239 1.00 0.00 O ATOM 0 H GLU A 9 -3.414 22.070 2.339 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.798 19.559 2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.683 22.459 2.653 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -6.790 21.134 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.268 20.582 4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.596 22.183 4.748 1.00 0.00 H new ATOM 98 N GLY A 10 -5.378 19.001 0.554 1.00 0.00 N ATOM 99 CA GLY A 10 -5.843 18.657 -0.777 1.00 0.00 C ATOM 100 C GLY A 10 -5.305 17.321 -1.251 1.00 0.00 C ATOM 101 O GLY A 10 -6.035 16.335 -1.352 1.00 0.00 O ATOM 0 H GLY A 10 -5.108 18.206 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.933 18.629 -0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.541 19.436 -1.477 1.00 0.00 H new ATOM 105 N PRO A 11 -3.999 17.278 -1.553 1.00 0.00 N ATOM 106 CA PRO A 11 -3.336 16.059 -2.025 1.00 0.00 C ATOM 107 C PRO A 11 -3.219 15.002 -0.932 1.00 0.00 C ATOM 108 O PRO A 11 -3.200 13.803 -1.213 1.00 0.00 O ATOM 109 CB PRO A 11 -1.948 16.550 -2.445 1.00 0.00 C ATOM 110 CG PRO A 11 -1.719 17.777 -1.633 1.00 0.00 C ATOM 111 CD PRO A 11 -3.069 18.415 -1.456 1.00 0.00 C ATOM 0 HA PRO A 11 -3.894 15.577 -2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.185 15.797 -2.248 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.912 16.769 -3.512 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.275 17.529 -0.669 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.030 18.455 -2.137 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.151 18.921 -0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.265 19.161 -2.226 1.00 0.00 H new ATOM 119 N LEU A 12 -3.141 15.453 0.315 1.00 0.00 N ATOM 120 CA LEU A 12 -3.026 14.546 1.451 1.00 0.00 C ATOM 121 C LEU A 12 -4.181 13.549 1.471 1.00 0.00 C ATOM 122 O LEU A 12 -3.971 12.344 1.603 1.00 0.00 O ATOM 123 CB LEU A 12 -2.998 15.337 2.760 1.00 0.00 C ATOM 124 CG LEU A 12 -1.641 15.913 3.167 1.00 0.00 C ATOM 125 CD1 LEU A 12 -1.817 17.015 4.200 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.735 14.815 3.704 1.00 0.00 C ATOM 0 H LEU A 12 -3.155 16.442 0.565 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.093 13.992 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.710 16.159 2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.350 14.687 3.561 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.171 16.344 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.841 17.413 4.478 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.428 17.814 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.308 16.610 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.226 15.243 3.989 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.199 14.354 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.582 14.060 2.933 1.00 0.00 H new ATOM 138 N ASN A 13 -5.400 14.061 1.337 1.00 0.00 N ATOM 139 CA ASN A 13 -6.588 13.216 1.337 1.00 0.00 C ATOM 140 C ASN A 13 -6.542 12.212 0.190 1.00 0.00 C ATOM 141 O ASN A 13 -6.616 11.001 0.406 1.00 0.00 O ATOM 142 CB ASN A 13 -7.850 14.074 1.228 1.00 0.00 C ATOM 143 CG ASN A 13 -9.074 13.377 1.790 1.00 0.00 C ATOM 144 OD1 ASN A 13 -8.987 12.258 2.295 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.223 14.037 1.703 1.00 0.00 N ATOM 0 H ASN A 13 -5.591 15.057 1.227 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.611 12.665 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.694 15.013 1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.026 14.325 0.182 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.080 13.618 2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -10.248 14.963 1.276 1.00 0.00 H new ATOM 152 N LEU A 14 -6.419 12.721 -1.030 1.00 0.00 N ATOM 153 CA LEU A 14 -6.362 11.869 -2.213 1.00 0.00 C ATOM 154 C LEU A 14 -5.516 10.628 -1.950 1.00 0.00 C ATOM 155 O LEU A 14 -5.870 9.524 -2.364 1.00 0.00 O ATOM 156 CB LEU A 14 -5.790 12.648 -3.400 1.00 0.00 C ATOM 157 CG LEU A 14 -6.803 13.420 -4.247 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.111 14.527 -5.027 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.537 12.478 -5.190 1.00 0.00 C ATOM 0 H LEU A 14 -6.357 13.720 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.377 11.551 -2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.049 13.353 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.263 11.948 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.535 13.876 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.847 15.066 -5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.632 15.217 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.358 14.093 -5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.254 13.044 -5.785 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.819 11.993 -5.852 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.065 11.721 -4.610 1.00 0.00 H new ATOM 171 N ALA A 15 -4.398 10.816 -1.257 1.00 0.00 N ATOM 172 CA ALA A 15 -3.504 9.711 -0.934 1.00 0.00 C ATOM 173 C ALA A 15 -4.149 8.757 0.066 1.00 0.00 C ATOM 174 O ALA A 15 -3.985 7.540 -0.027 1.00 0.00 O ATOM 175 CB ALA A 15 -2.187 10.240 -0.387 1.00 0.00 C ATOM 0 H ALA A 15 -4.090 11.724 -0.908 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.307 9.156 -1.851 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.529 9.404 -0.150 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.712 10.875 -1.134 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.375 10.821 0.516 1.00 0.00 H new ATOM 181 N HIS A 16 -4.883 9.317 1.022 1.00 0.00 N ATOM 182 CA HIS A 16 -5.553 8.515 2.040 1.00 0.00 C ATOM 183 C HIS A 16 -6.547 7.548 1.403 1.00 0.00 C ATOM 184 O HIS A 16 -6.640 6.388 1.803 1.00 0.00 O ATOM 185 CB HIS A 16 -6.274 9.420 3.040 1.00 0.00 C ATOM 186 CG HIS A 16 -5.358 10.350 3.774 1.00 0.00 C ATOM 187 ND1 HIS A 16 -4.019 10.527 3.685 1.00 0.00 N flip ATOM 188 CD2 HIS A 16 -5.797 11.238 4.733 1.00 0.00 C flip ATOM 189 CE1 HIS A 16 -3.677 11.509 4.583 1.00 0.00 C flip ATOM 190 NE2 HIS A 16 -4.769 11.921 5.202 1.00 0.00 N flip ATOM 0 H HIS A 16 -5.029 10.322 1.113 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.795 7.935 2.567 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.026 10.006 2.511 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.804 8.800 3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.822 11.356 5.051 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.679 11.883 4.755 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.811 12.644 5.920 1.00 0.00 H new ATOM 199 N GLN A 17 -7.286 8.035 0.411 1.00 0.00 N ATOM 200 CA GLN A 17 -8.273 7.214 -0.279 1.00 0.00 C ATOM 201 C GLN A 17 -7.677 5.868 -0.681 1.00 0.00 C ATOM 202 O GLN A 17 -8.347 4.838 -0.614 1.00 0.00 O ATOM 203 CB GLN A 17 -8.798 7.943 -1.517 1.00 0.00 C ATOM 204 CG GLN A 17 -9.761 9.073 -1.195 1.00 0.00 C ATOM 205 CD GLN A 17 -10.411 9.658 -2.434 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.986 8.935 -3.247 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.321 10.974 -2.584 1.00 0.00 N ATOM 0 H GLN A 17 -7.220 8.993 0.068 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.101 7.034 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.954 8.345 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.298 7.225 -2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.536 8.704 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.226 9.860 -0.664 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.835 11.535 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.738 11.424 -3.399 1.00 0.00 H new ATOM 216 N GLN A 18 -6.415 5.887 -1.098 1.00 0.00 N ATOM 217 CA GLN A 18 -5.730 4.668 -1.512 1.00 0.00 C ATOM 218 C GLN A 18 -5.316 3.839 -0.301 1.00 0.00 C ATOM 219 O GLN A 18 -5.678 2.668 -0.184 1.00 0.00 O ATOM 220 CB GLN A 18 -4.501 5.010 -2.356 1.00 0.00 C ATOM 221 CG GLN A 18 -4.841 5.595 -3.716 1.00 0.00 C ATOM 222 CD GLN A 18 -5.611 4.627 -4.593 1.00 0.00 C ATOM 223 OE1 GLN A 18 -6.756 4.282 -4.300 1.00 0.00 O ATOM 224 NE2 GLN A 18 -4.985 4.183 -5.676 1.00 0.00 N ATOM 0 H GLN A 18 -5.847 6.732 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.422 4.078 -2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.881 5.720 -1.809 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -3.905 4.108 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.429 6.502 -3.580 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.921 5.885 -4.223 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.036 4.495 -5.880 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.453 3.529 -6.304 1.00 0.00 H new ATOM 233 N SER A 19 -4.554 4.454 0.599 1.00 0.00 N ATOM 234 CA SER A 19 -4.087 3.771 1.799 1.00 0.00 C ATOM 235 C SER A 19 -5.134 2.783 2.305 1.00 0.00 C ATOM 236 O SER A 19 -4.800 1.700 2.787 1.00 0.00 O ATOM 237 CB SER A 19 -3.757 4.787 2.894 1.00 0.00 C ATOM 238 OG SER A 19 -3.392 4.138 4.100 1.00 0.00 O ATOM 0 H SER A 19 -4.248 5.424 0.519 1.00 0.00 H new ATOM 0 HA SER A 19 -3.184 3.217 1.543 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.942 5.431 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.620 5.430 3.070 1.00 0.00 H new ATOM 0 HG SER A 19 -3.185 4.809 4.783 1.00 0.00 H new ATOM 244 N ARG A 20 -6.402 3.165 2.191 1.00 0.00 N ATOM 245 CA ARG A 20 -7.498 2.314 2.638 1.00 0.00 C ATOM 246 C ARG A 20 -7.568 1.036 1.807 1.00 0.00 C ATOM 247 O ARG A 20 -7.610 -0.068 2.351 1.00 0.00 O ATOM 248 CB ARG A 20 -8.826 3.068 2.546 1.00 0.00 C ATOM 249 CG ARG A 20 -8.932 4.237 3.511 1.00 0.00 C ATOM 250 CD ARG A 20 -10.130 5.117 3.192 1.00 0.00 C ATOM 251 NE ARG A 20 -11.393 4.458 3.511 1.00 0.00 N ATOM 252 CZ ARG A 20 -12.537 5.110 3.692 1.00 0.00 C ATOM 253 NH1 ARG A 20 -12.575 6.430 3.584 1.00 0.00 N ATOM 254 NH2 ARG A 20 -13.645 4.439 3.980 1.00 0.00 N ATOM 0 H ARG A 20 -6.695 4.057 1.793 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.313 2.041 3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.955 3.436 1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.643 2.373 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.016 3.862 4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.020 4.832 3.465 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.055 6.048 3.753 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.115 5.380 2.134 1.00 0.00 H new ATOM 0 HE ARG A 20 -11.398 3.442 3.600 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.725 6.948 3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.454 6.928 3.723 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.619 3.423 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.523 4.940 4.119 1.00 0.00 H new ATOM 268 N ARG A 21 -7.580 1.194 0.488 1.00 0.00 N ATOM 269 CA ARG A 21 -7.646 0.053 -0.418 1.00 0.00 C ATOM 270 C ARG A 21 -6.554 -0.962 -0.094 1.00 0.00 C ATOM 271 O ARG A 21 -6.830 -2.145 0.101 1.00 0.00 O ATOM 272 CB ARG A 21 -7.512 0.518 -1.869 1.00 0.00 C ATOM 273 CG ARG A 21 -7.218 -0.610 -2.845 1.00 0.00 C ATOM 274 CD ARG A 21 -7.268 -0.126 -4.286 1.00 0.00 C ATOM 275 NE ARG A 21 -7.479 -1.225 -5.225 1.00 0.00 N ATOM 276 CZ ARG A 21 -8.647 -1.836 -5.390 1.00 0.00 C ATOM 277 NH1 ARG A 21 -9.703 -1.457 -4.684 1.00 0.00 N ATOM 278 NH2 ARG A 21 -8.760 -2.828 -6.265 1.00 0.00 N ATOM 0 H ARG A 21 -7.545 2.101 0.022 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.615 -0.428 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.434 1.016 -2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.715 1.259 -1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.234 -1.028 -2.634 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.942 -1.413 -2.704 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.070 0.604 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.337 0.385 -4.529 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.686 -1.540 -5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.620 -0.694 -4.012 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -10.598 -1.928 -4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.950 -3.121 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.657 -3.297 -6.391 1.00 0.00 H new ATOM 292 N ALA A 22 -5.312 -0.490 -0.039 1.00 0.00 N ATOM 293 CA ALA A 22 -4.179 -1.356 0.262 1.00 0.00 C ATOM 294 C ALA A 22 -4.422 -2.155 1.537 1.00 0.00 C ATOM 295 O ALA A 22 -4.106 -3.343 1.606 1.00 0.00 O ATOM 296 CB ALA A 22 -2.905 -0.533 0.387 1.00 0.00 C ATOM 0 H ALA A 22 -5.066 0.487 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.064 -2.062 -0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.067 -1.192 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.715 -0.012 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.020 0.195 1.190 1.00 0.00 H new ATOM 302 N ASP A 23 -4.984 -1.496 2.544 1.00 0.00 N ATOM 303 CA ASP A 23 -5.270 -2.146 3.818 1.00 0.00 C ATOM 304 C ASP A 23 -6.330 -3.231 3.649 1.00 0.00 C ATOM 305 O ASP A 23 -6.129 -4.377 4.051 1.00 0.00 O ATOM 306 CB ASP A 23 -5.737 -1.116 4.847 1.00 0.00 C ATOM 307 CG ASP A 23 -4.582 -0.490 5.604 1.00 0.00 C ATOM 308 OD1 ASP A 23 -3.452 -0.496 5.074 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.809 0.007 6.727 1.00 0.00 O ATOM 0 H ASP A 23 -5.251 -0.512 2.503 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.351 -2.613 4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.304 -0.333 4.342 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.415 -1.594 5.554 1.00 0.00 H new ATOM 314 N ARG A 24 -7.458 -2.860 3.053 1.00 0.00 N ATOM 315 CA ARG A 24 -8.550 -3.801 2.833 1.00 0.00 C ATOM 316 C ARG A 24 -8.074 -5.010 2.034 1.00 0.00 C ATOM 317 O ARG A 24 -8.568 -6.124 2.218 1.00 0.00 O ATOM 318 CB ARG A 24 -9.704 -3.114 2.099 1.00 0.00 C ATOM 319 CG ARG A 24 -10.667 -2.388 3.024 1.00 0.00 C ATOM 320 CD ARG A 24 -11.631 -3.355 3.694 1.00 0.00 C ATOM 321 NE ARG A 24 -12.720 -3.748 2.803 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.702 -4.567 3.160 1.00 0.00 C ATOM 323 NH1 ARG A 24 -13.733 -5.077 4.384 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.657 -4.878 2.293 1.00 0.00 N ATOM 0 H ARG A 24 -7.640 -1.915 2.714 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.900 -4.145 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.295 -2.402 1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.256 -3.860 1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.104 -1.847 3.785 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.229 -1.647 2.456 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.088 -4.243 4.016 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.045 -2.892 4.590 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.726 -3.373 1.855 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.001 -4.840 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.489 -5.706 4.655 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.637 -4.488 1.351 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.411 -5.507 2.569 1.00 0.00 H new ATOM 338 N LEU A 25 -7.112 -4.784 1.146 1.00 0.00 N ATOM 339 CA LEU A 25 -6.569 -5.855 0.318 1.00 0.00 C ATOM 340 C LEU A 25 -5.658 -6.766 1.134 1.00 0.00 C ATOM 341 O LEU A 25 -5.647 -7.983 0.945 1.00 0.00 O ATOM 342 CB LEU A 25 -5.795 -5.270 -0.865 1.00 0.00 C ATOM 343 CG LEU A 25 -6.637 -4.598 -1.951 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.829 -3.527 -2.667 1.00 0.00 C ATOM 345 CD2 LEU A 25 -7.152 -5.632 -2.942 1.00 0.00 C ATOM 0 H LEU A 25 -6.692 -3.869 0.981 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.403 -6.447 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.082 -4.540 -0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.215 -6.070 -1.326 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.494 -4.120 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.444 -3.060 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.510 -2.771 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.953 -3.981 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.749 -5.136 -3.708 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.308 -6.138 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.768 -6.363 -2.418 1.00 0.00 H new ATOM 357 N LEU A 26 -4.896 -6.170 2.045 1.00 0.00 N ATOM 358 CA LEU A 26 -3.983 -6.928 2.893 1.00 0.00 C ATOM 359 C LEU A 26 -4.742 -7.950 3.733 1.00 0.00 C ATOM 360 O LEU A 26 -4.271 -9.067 3.944 1.00 0.00 O ATOM 361 CB LEU A 26 -3.199 -5.982 3.805 1.00 0.00 C ATOM 362 CG LEU A 26 -2.641 -6.597 5.089 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.473 -7.519 4.775 1.00 0.00 C ATOM 364 CD2 LEU A 26 -2.216 -5.507 6.062 1.00 0.00 C ATOM 0 H LEU A 26 -4.893 -5.164 2.215 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.285 -7.462 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.369 -5.565 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.849 -5.150 4.077 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.428 -7.188 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.089 -7.948 5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.809 -8.320 4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.683 -6.951 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.822 -5.963 6.970 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.445 -4.889 5.602 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.077 -4.887 6.312 1.00 0.00 H new ATOM 376 N ALA A 27 -5.920 -7.560 4.208 1.00 0.00 N ATOM 377 CA ALA A 27 -6.746 -8.444 5.022 1.00 0.00 C ATOM 378 C ALA A 27 -7.213 -9.652 4.218 1.00 0.00 C ATOM 379 O ALA A 27 -7.386 -10.742 4.762 1.00 0.00 O ATOM 380 CB ALA A 27 -7.941 -7.684 5.579 1.00 0.00 C ATOM 0 H ALA A 27 -6.324 -6.638 4.043 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.140 -8.806 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.549 -8.356 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.591 -6.856 6.196 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.540 -7.295 4.756 1.00 0.00 H new ATOM 386 N ALA A 28 -7.417 -9.451 2.920 1.00 0.00 N ATOM 387 CA ALA A 28 -7.863 -10.525 2.041 1.00 0.00 C ATOM 388 C ALA A 28 -6.677 -11.296 1.470 1.00 0.00 C ATOM 389 O ALA A 28 -6.839 -12.144 0.594 1.00 0.00 O ATOM 390 CB ALA A 28 -8.721 -9.965 0.917 1.00 0.00 C ATOM 0 H ALA A 28 -7.280 -8.554 2.454 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.463 -11.218 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.047 -10.778 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.593 -9.466 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.139 -9.249 0.337 1.00 0.00 H new ATOM 396 N GLY A 29 -5.483 -10.994 1.972 1.00 0.00 N ATOM 397 CA GLY A 29 -4.288 -11.666 1.499 1.00 0.00 C ATOM 398 C GLY A 29 -3.865 -11.197 0.121 1.00 0.00 C ATOM 399 O GLY A 29 -3.017 -11.816 -0.521 1.00 0.00 O ATOM 0 H GLY A 29 -5.323 -10.296 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.475 -11.493 2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.465 -12.741 1.475 1.00 0.00 H new ATOM 403 N LYS A 30 -4.459 -10.100 -0.336 1.00 0.00 N ATOM 404 CA LYS A 30 -4.141 -9.547 -1.647 1.00 0.00 C ATOM 405 C LYS A 30 -2.915 -8.642 -1.573 1.00 0.00 C ATOM 406 O LYS A 30 -2.914 -7.536 -2.116 1.00 0.00 O ATOM 407 CB LYS A 30 -5.334 -8.763 -2.197 1.00 0.00 C ATOM 408 CG LYS A 30 -6.525 -9.637 -2.551 1.00 0.00 C ATOM 409 CD LYS A 30 -6.364 -10.270 -3.922 1.00 0.00 C ATOM 410 CE LYS A 30 -7.708 -10.660 -4.517 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.585 -11.804 -5.463 1.00 0.00 N ATOM 0 H LYS A 30 -5.164 -9.576 0.183 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.919 -10.376 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.643 -8.023 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.020 -8.215 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.640 -10.418 -1.800 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.436 -9.038 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.858 -9.572 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.729 -11.153 -3.844 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.397 -10.924 -3.715 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.137 -9.803 -5.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.522 -12.039 -5.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.947 -11.543 -6.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.199 -12.629 -4.961 1.00 0.00 H new ATOM 425 N TYR A 31 -1.874 -9.118 -0.900 1.00 0.00 N ATOM 426 CA TYR A 31 -0.642 -8.351 -0.755 1.00 0.00 C ATOM 427 C TYR A 31 -0.305 -7.612 -2.046 1.00 0.00 C ATOM 428 O TYR A 31 -0.326 -6.382 -2.093 1.00 0.00 O ATOM 429 CB TYR A 31 0.515 -9.272 -0.365 1.00 0.00 C ATOM 430 CG TYR A 31 0.312 -9.971 0.961 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.361 -9.263 2.156 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.072 -11.338 1.019 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.177 -9.897 3.370 1.00 0.00 C ATOM 434 CE2 TYR A 31 -0.114 -11.980 2.228 1.00 0.00 C ATOM 435 CZ TYR A 31 -0.061 -11.255 3.401 1.00 0.00 C ATOM 436 OH TYR A 31 -0.245 -11.891 4.607 1.00 0.00 O ATOM 0 H TYR A 31 -1.858 -10.031 -0.446 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.794 -7.615 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.650 -10.022 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.434 -8.688 -0.321 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.546 -8.199 2.135 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.030 -11.909 0.103 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.219 -9.332 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.300 -13.044 2.255 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.403 -12.846 4.453 1.00 0.00 H new ATOM 446 N GLU A 32 0.006 -8.372 -3.091 1.00 0.00 N ATOM 447 CA GLU A 32 0.348 -7.789 -4.384 1.00 0.00 C ATOM 448 C GLU A 32 -0.524 -6.572 -4.680 1.00 0.00 C ATOM 449 O GLU A 32 -0.031 -5.448 -4.762 1.00 0.00 O ATOM 450 CB GLU A 32 0.187 -8.829 -5.495 1.00 0.00 C ATOM 451 CG GLU A 32 0.773 -8.391 -6.827 1.00 0.00 C ATOM 452 CD GLU A 32 -0.216 -7.611 -7.671 1.00 0.00 C ATOM 453 OE1 GLU A 32 -1.422 -7.930 -7.621 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.217 -6.680 -8.383 1.00 0.00 O ATOM 0 H GLU A 32 0.028 -9.392 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 32 1.389 -7.467 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.666 -9.758 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.873 -9.046 -5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.655 -7.777 -6.647 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.104 -9.270 -7.381 1.00 0.00 H new ATOM 461 N GLU A 33 -1.823 -6.807 -4.840 1.00 0.00 N ATOM 462 CA GLU A 33 -2.763 -5.731 -5.129 1.00 0.00 C ATOM 463 C GLU A 33 -2.422 -4.480 -4.324 1.00 0.00 C ATOM 464 O GLU A 33 -2.420 -3.369 -4.854 1.00 0.00 O ATOM 465 CB GLU A 33 -4.194 -6.176 -4.819 1.00 0.00 C ATOM 466 CG GLU A 33 -4.605 -7.449 -5.539 1.00 0.00 C ATOM 467 CD GLU A 33 -4.441 -7.348 -7.043 1.00 0.00 C ATOM 468 OE1 GLU A 33 -4.679 -6.252 -7.592 1.00 0.00 O ATOM 469 OE2 GLU A 33 -4.074 -8.363 -7.671 1.00 0.00 O ATOM 0 H GLU A 33 -2.247 -7.732 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.687 -5.492 -6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.293 -6.328 -3.744 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.882 -5.376 -5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.007 -8.281 -5.167 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.645 -7.674 -5.305 1.00 0.00 H new ATOM 476 N ALA A 34 -2.136 -4.670 -3.040 1.00 0.00 N ATOM 477 CA ALA A 34 -1.792 -3.559 -2.162 1.00 0.00 C ATOM 478 C ALA A 34 -0.452 -2.945 -2.551 1.00 0.00 C ATOM 479 O ALA A 34 -0.315 -1.723 -2.620 1.00 0.00 O ATOM 480 CB ALA A 34 -1.762 -4.021 -0.712 1.00 0.00 C ATOM 0 H ALA A 34 -2.136 -5.583 -2.585 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.559 -2.792 -2.272 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.504 -3.181 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.743 -4.405 -0.432 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.018 -4.809 -0.597 1.00 0.00 H new ATOM 486 N ILE A 35 0.534 -3.800 -2.804 1.00 0.00 N ATOM 487 CA ILE A 35 1.863 -3.341 -3.186 1.00 0.00 C ATOM 488 C ILE A 35 1.781 -2.191 -4.184 1.00 0.00 C ATOM 489 O ILE A 35 2.327 -1.113 -3.951 1.00 0.00 O ATOM 490 CB ILE A 35 2.697 -4.481 -3.801 1.00 0.00 C ATOM 491 CG1 ILE A 35 2.988 -5.553 -2.750 1.00 0.00 C ATOM 492 CG2 ILE A 35 3.993 -3.935 -4.381 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.665 -6.783 -3.313 1.00 0.00 C ATOM 0 H ILE A 35 0.437 -4.814 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 35 2.352 -2.995 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 35 2.124 -4.937 -4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.619 -5.125 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.052 -5.848 -2.275 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.572 -4.752 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.765 -3.204 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.572 -3.457 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.841 -7.501 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.026 -7.235 -4.071 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.617 -6.501 -3.763 1.00 0.00 H new ATOM 505 N SER A 36 1.094 -2.427 -5.297 1.00 0.00 N ATOM 506 CA SER A 36 0.941 -1.412 -6.332 1.00 0.00 C ATOM 507 C SER A 36 0.211 -0.187 -5.789 1.00 0.00 C ATOM 508 O SER A 36 0.623 0.949 -6.023 1.00 0.00 O ATOM 509 CB SER A 36 0.180 -1.984 -7.530 1.00 0.00 C ATOM 510 OG SER A 36 -1.058 -2.544 -7.127 1.00 0.00 O ATOM 0 H SER A 36 0.634 -3.313 -5.505 1.00 0.00 H new ATOM 0 HA SER A 36 1.936 -1.107 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.005 -1.197 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.786 -2.747 -8.019 1.00 0.00 H new ATOM 0 HG SER A 36 -1.064 -2.659 -6.154 1.00 0.00 H new ATOM 516 N CYS A 37 -0.875 -0.428 -5.063 1.00 0.00 N ATOM 517 CA CYS A 37 -1.665 0.654 -4.486 1.00 0.00 C ATOM 518 C CYS A 37 -0.765 1.677 -3.799 1.00 0.00 C ATOM 519 O CYS A 37 -1.031 2.879 -3.840 1.00 0.00 O ATOM 520 CB CYS A 37 -2.679 0.096 -3.487 1.00 0.00 C ATOM 521 SG CYS A 37 -3.907 -1.010 -4.220 1.00 0.00 S ATOM 0 H CYS A 37 -1.229 -1.363 -4.860 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.200 1.152 -5.295 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.144 -0.441 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.195 0.927 -3.007 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.316 -2.077 -4.670 1.00 0.00 H new ATOM 527 N HIS A 38 0.299 1.192 -3.168 1.00 0.00 N ATOM 528 CA HIS A 38 1.238 2.064 -2.471 1.00 0.00 C ATOM 529 C HIS A 38 2.122 2.813 -3.463 1.00 0.00 C ATOM 530 O HIS A 38 2.425 3.991 -3.272 1.00 0.00 O ATOM 531 CB HIS A 38 2.104 1.251 -1.509 1.00 0.00 C ATOM 532 CG HIS A 38 1.404 0.880 -0.239 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.625 1.765 0.477 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.366 -0.289 0.443 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.140 1.156 1.545 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.574 -0.091 1.547 1.00 0.00 N ATOM 0 H HIS A 38 0.533 0.200 -3.125 1.00 0.00 H new ATOM 0 HA HIS A 38 0.664 2.794 -1.901 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.434 0.342 -2.011 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.999 1.824 -1.267 1.00 0.00 H new ATOM 0 HD1 HIS A 38 0.451 2.737 0.222 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.866 -1.207 0.170 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.502 1.603 2.290 1.00 0.00 H new ATOM 545 N ARG A 39 2.534 2.122 -4.520 1.00 0.00 N ATOM 546 CA ARG A 39 3.386 2.721 -5.541 1.00 0.00 C ATOM 547 C ARG A 39 2.714 3.943 -6.160 1.00 0.00 C ATOM 548 O ARG A 39 3.305 5.021 -6.230 1.00 0.00 O ATOM 549 CB ARG A 39 3.711 1.697 -6.630 1.00 0.00 C ATOM 550 CG ARG A 39 4.457 0.477 -6.116 1.00 0.00 C ATOM 551 CD ARG A 39 5.097 -0.305 -7.252 1.00 0.00 C ATOM 552 NE ARG A 39 4.102 -0.825 -8.187 1.00 0.00 N ATOM 553 CZ ARG A 39 4.357 -1.775 -9.079 1.00 0.00 C ATOM 554 NH1 ARG A 39 5.569 -2.308 -9.157 1.00 0.00 N ATOM 555 NH2 ARG A 39 3.399 -2.196 -9.895 1.00 0.00 N ATOM 0 H ARG A 39 2.292 1.146 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 39 4.313 3.040 -5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.783 1.373 -7.101 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.309 2.179 -7.403 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.226 0.790 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.768 -0.169 -5.571 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.795 0.339 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.676 -1.132 -6.842 1.00 0.00 H new ATOM 0 HE ARG A 39 3.159 -0.437 -8.153 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.308 -1.988 -8.531 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.762 -3.038 -9.843 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.465 -1.790 -9.838 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.596 -2.926 -10.580 1.00 0.00 H new ATOM 569 N LYS A 40 1.476 3.767 -6.610 1.00 0.00 N ATOM 570 CA LYS A 40 0.723 4.854 -7.223 1.00 0.00 C ATOM 571 C LYS A 40 0.645 6.057 -6.289 1.00 0.00 C ATOM 572 O LYS A 40 1.076 7.156 -6.639 1.00 0.00 O ATOM 573 CB LYS A 40 -0.688 4.384 -7.585 1.00 0.00 C ATOM 574 CG LYS A 40 -0.751 3.584 -8.875 1.00 0.00 C ATOM 575 CD LYS A 40 -0.198 2.181 -8.688 1.00 0.00 C ATOM 576 CE LYS A 40 -0.403 1.332 -9.933 1.00 0.00 C ATOM 577 NZ LYS A 40 0.580 0.216 -10.011 1.00 0.00 N ATOM 0 H LYS A 40 0.973 2.881 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 40 1.244 5.155 -8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.079 3.775 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.340 5.253 -7.674 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.784 3.526 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.185 4.099 -9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.865 2.236 -8.454 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.687 1.706 -7.838 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.414 0.926 -9.933 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.311 1.959 -10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.188 0.346 -10.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.167 0.210 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.073 -0.688 -10.090 1.00 0.00 H new ATOM 591 N ALA A 41 0.094 5.842 -5.099 1.00 0.00 N ATOM 592 CA ALA A 41 -0.036 6.908 -4.113 1.00 0.00 C ATOM 593 C ALA A 41 1.271 7.679 -3.962 1.00 0.00 C ATOM 594 O ALA A 41 1.315 8.893 -4.167 1.00 0.00 O ATOM 595 CB ALA A 41 -0.472 6.336 -2.772 1.00 0.00 C ATOM 0 H ALA A 41 -0.270 4.939 -4.794 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.798 7.603 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.565 7.143 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.434 5.837 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.271 5.618 -2.424 1.00 0.00 H new ATOM 601 N THR A 42 2.334 6.967 -3.602 1.00 0.00 N ATOM 602 CA THR A 42 3.642 7.585 -3.421 1.00 0.00 C ATOM 603 C THR A 42 4.018 8.438 -4.627 1.00 0.00 C ATOM 604 O THR A 42 4.403 9.599 -4.485 1.00 0.00 O ATOM 605 CB THR A 42 4.737 6.525 -3.194 1.00 0.00 C ATOM 606 OG1 THR A 42 4.645 5.504 -4.193 1.00 0.00 O ATOM 607 CG2 THR A 42 4.610 5.904 -1.812 1.00 0.00 C ATOM 0 H THR A 42 2.315 5.962 -3.430 1.00 0.00 H new ATOM 0 HA THR A 42 3.573 8.220 -2.538 1.00 0.00 H new ATOM 0 HB THR A 42 5.708 7.016 -3.266 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.813 5.615 -4.698 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.393 5.159 -1.675 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.711 6.680 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.635 5.427 -1.716 1.00 0.00 H new ATOM 615 N THR A 43 3.904 7.855 -5.817 1.00 0.00 N ATOM 616 CA THR A 43 4.233 8.562 -7.049 1.00 0.00 C ATOM 617 C THR A 43 3.544 9.921 -7.103 1.00 0.00 C ATOM 618 O THR A 43 4.095 10.886 -7.635 1.00 0.00 O ATOM 619 CB THR A 43 3.829 7.745 -8.290 1.00 0.00 C ATOM 620 OG1 THR A 43 4.528 6.495 -8.302 1.00 0.00 O ATOM 621 CG2 THR A 43 4.133 8.514 -9.567 1.00 0.00 C ATOM 0 H THR A 43 3.586 6.895 -5.953 1.00 0.00 H new ATOM 0 HA THR A 43 5.314 8.705 -7.053 1.00 0.00 H new ATOM 0 HB THR A 43 2.756 7.561 -8.243 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.155 5.905 -7.614 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.839 7.917 -10.430 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.577 9.452 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.201 8.725 -9.619 1.00 0.00 H new ATOM 629 N TYR A 44 2.339 9.991 -6.549 1.00 0.00 N ATOM 630 CA TYR A 44 1.575 11.233 -6.537 1.00 0.00 C ATOM 631 C TYR A 44 2.110 12.191 -5.478 1.00 0.00 C ATOM 632 O TYR A 44 2.351 13.368 -5.753 1.00 0.00 O ATOM 633 CB TYR A 44 0.095 10.943 -6.277 1.00 0.00 C ATOM 634 CG TYR A 44 -0.758 12.187 -6.184 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.590 13.238 -7.077 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.733 12.313 -5.201 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.367 14.377 -6.996 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.515 13.448 -5.113 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.328 14.477 -6.012 1.00 0.00 C ATOM 640 OH TYR A 44 -3.105 15.610 -5.926 1.00 0.00 O ATOM 0 H TYR A 44 1.870 9.203 -6.102 1.00 0.00 H new ATOM 0 HA TYR A 44 1.680 11.704 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.288 10.309 -7.076 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.002 10.378 -5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.162 13.163 -7.849 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.881 11.510 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.223 15.184 -7.699 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.269 13.529 -4.344 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.910 15.497 -6.474 1.00 0.00 H new ATOM 650 N LEU A 45 2.295 11.680 -4.266 1.00 0.00 N ATOM 651 CA LEU A 45 2.804 12.489 -3.163 1.00 0.00 C ATOM 652 C LEU A 45 4.126 13.151 -3.538 1.00 0.00 C ATOM 653 O LEU A 45 4.363 14.314 -3.212 1.00 0.00 O ATOM 654 CB LEU A 45 2.989 11.625 -1.914 1.00 0.00 C ATOM 655 CG LEU A 45 1.714 11.274 -1.146 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.012 10.262 -0.052 1.00 0.00 C ATOM 657 CD2 LEU A 45 1.082 12.528 -0.559 1.00 0.00 C ATOM 0 H LEU A 45 2.100 10.709 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 45 2.075 13.271 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.479 10.697 -2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.667 12.143 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 45 1.005 10.827 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.093 10.024 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.418 9.354 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.739 10.681 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.176 12.259 -0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.786 13.005 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.831 13.220 -1.363 1.00 0.00 H new ATOM 669 N SER A 46 4.982 12.403 -4.226 1.00 0.00 N ATOM 670 CA SER A 46 6.281 12.917 -4.644 1.00 0.00 C ATOM 671 C SER A 46 6.118 14.074 -5.625 1.00 0.00 C ATOM 672 O SER A 46 6.809 15.087 -5.525 1.00 0.00 O ATOM 673 CB SER A 46 7.111 11.803 -5.287 1.00 0.00 C ATOM 674 OG SER A 46 6.571 11.423 -6.540 1.00 0.00 O ATOM 0 H SER A 46 4.800 11.439 -4.506 1.00 0.00 H new ATOM 0 HA SER A 46 6.800 13.284 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.139 12.141 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.141 10.939 -4.623 1.00 0.00 H new ATOM 0 HG SER A 46 5.594 11.388 -6.478 1.00 0.00 H new ATOM 680 N GLU A 47 5.197 13.915 -6.570 1.00 0.00 N ATOM 681 CA GLU A 47 4.943 14.947 -7.569 1.00 0.00 C ATOM 682 C GLU A 47 4.474 16.240 -6.909 1.00 0.00 C ATOM 683 O GLU A 47 4.840 17.335 -7.335 1.00 0.00 O ATOM 684 CB GLU A 47 3.896 14.466 -8.576 1.00 0.00 C ATOM 685 CG GLU A 47 4.481 13.672 -9.731 1.00 0.00 C ATOM 686 CD GLU A 47 5.601 14.410 -10.439 1.00 0.00 C ATOM 687 OE1 GLU A 47 5.458 15.631 -10.662 1.00 0.00 O ATOM 688 OE2 GLU A 47 6.620 13.769 -10.769 1.00 0.00 O ATOM 0 H GLU A 47 4.615 13.083 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 47 5.877 15.146 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.162 13.849 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.363 15.330 -8.973 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.858 12.719 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.691 13.444 -10.447 1.00 0.00 H new ATOM 695 N ALA A 48 3.662 16.104 -5.866 1.00 0.00 N ATOM 696 CA ALA A 48 3.144 17.260 -5.145 1.00 0.00 C ATOM 697 C ALA A 48 4.277 18.097 -4.562 1.00 0.00 C ATOM 698 O ALA A 48 4.456 19.258 -4.928 1.00 0.00 O ATOM 699 CB ALA A 48 2.194 16.813 -4.044 1.00 0.00 C ATOM 0 H ALA A 48 3.349 15.204 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 48 2.596 17.882 -5.852 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.815 17.687 -3.514 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.360 16.265 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.725 16.167 -3.345 1.00 0.00 H new ATOM 705 N MET A 49 5.040 17.499 -3.652 1.00 0.00 N ATOM 706 CA MET A 49 6.157 18.190 -3.019 1.00 0.00 C ATOM 707 C MET A 49 7.124 18.734 -4.066 1.00 0.00 C ATOM 708 O MET A 49 7.620 19.854 -3.946 1.00 0.00 O ATOM 709 CB MET A 49 6.894 17.247 -2.067 1.00 0.00 C ATOM 710 CG MET A 49 7.281 15.922 -2.703 1.00 0.00 C ATOM 711 SD MET A 49 7.900 14.729 -1.501 1.00 0.00 S ATOM 712 CE MET A 49 6.583 14.755 -0.288 1.00 0.00 C ATOM 0 H MET A 49 4.905 16.538 -3.337 1.00 0.00 H new ATOM 0 HA MET A 49 5.757 19.029 -2.450 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.794 17.742 -1.703 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.263 17.054 -1.199 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.414 15.502 -3.213 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.044 16.097 -3.462 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.536 13.791 0.219 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.777 15.541 0.442 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.633 14.949 -0.786 1.00 0.00 H new ATOM 722 N LYS A 50 7.389 17.933 -5.092 1.00 0.00 N ATOM 723 CA LYS A 50 8.296 18.333 -6.161 1.00 0.00 C ATOM 724 C LYS A 50 7.769 19.564 -6.890 1.00 0.00 C ATOM 725 O LYS A 50 8.462 20.150 -7.723 1.00 0.00 O ATOM 726 CB LYS A 50 8.487 17.183 -7.153 1.00 0.00 C ATOM 727 CG LYS A 50 9.376 16.069 -6.628 1.00 0.00 C ATOM 728 CD LYS A 50 9.238 14.806 -7.462 1.00 0.00 C ATOM 729 CE LYS A 50 10.362 13.822 -7.175 1.00 0.00 C ATOM 730 NZ LYS A 50 11.655 14.271 -7.761 1.00 0.00 N ATOM 0 H LYS A 50 6.988 17.002 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 50 9.258 18.582 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.512 16.769 -7.408 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.917 17.576 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.415 16.398 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.116 15.852 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.278 14.334 -7.253 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.242 15.066 -8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.474 13.702 -6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.100 12.844 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.337 13.486 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.504 14.571 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.028 15.069 -7.209 1.00 0.00 H new ATOM 744 N LEU A 51 6.539 19.953 -6.572 1.00 0.00 N ATOM 745 CA LEU A 51 5.919 21.117 -7.195 1.00 0.00 C ATOM 746 C LEU A 51 5.782 22.262 -6.197 1.00 0.00 C ATOM 747 O LEU A 51 6.349 23.338 -6.387 1.00 0.00 O ATOM 748 CB LEU A 51 4.545 20.748 -7.757 1.00 0.00 C ATOM 749 CG LEU A 51 4.076 21.554 -8.968 1.00 0.00 C ATOM 750 CD1 LEU A 51 3.036 20.774 -9.759 1.00 0.00 C ATOM 751 CD2 LEU A 51 3.516 22.899 -8.530 1.00 0.00 C ATOM 0 H LEU A 51 5.951 19.479 -5.886 1.00 0.00 H new ATOM 0 HA LEU A 51 6.562 21.447 -8.011 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.558 19.693 -8.031 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.807 20.862 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 51 4.935 21.734 -9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.714 21.364 -10.617 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.470 19.836 -10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.178 20.562 -9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.187 23.459 -9.406 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.670 22.741 -7.862 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.289 23.463 -8.008 1.00 0.00 H new ATOM 763 N THR A 52 5.026 22.022 -5.129 1.00 0.00 N ATOM 764 CA THR A 52 4.815 23.032 -4.100 1.00 0.00 C ATOM 765 C THR A 52 6.112 23.763 -3.774 1.00 0.00 C ATOM 766 O THR A 52 7.133 23.138 -3.488 1.00 0.00 O ATOM 767 CB THR A 52 4.252 22.409 -2.809 1.00 0.00 C ATOM 768 OG1 THR A 52 3.622 23.418 -2.012 1.00 0.00 O ATOM 769 CG2 THR A 52 5.356 21.737 -2.006 1.00 0.00 C ATOM 0 H THR A 52 4.550 21.137 -4.955 1.00 0.00 H new ATOM 0 HA THR A 52 4.090 23.743 -4.498 1.00 0.00 H new ATOM 0 HB THR A 52 3.516 21.655 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.677 23.191 -1.884 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.934 21.304 -1.099 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.814 20.950 -2.605 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.112 22.475 -1.738 1.00 0.00 H new ATOM 777 N GLU A 53 6.064 25.091 -3.818 1.00 0.00 N ATOM 778 CA GLU A 53 7.237 25.907 -3.527 1.00 0.00 C ATOM 779 C GLU A 53 7.383 26.134 -2.025 1.00 0.00 C ATOM 780 O GLU A 53 8.484 26.364 -1.525 1.00 0.00 O ATOM 781 CB GLU A 53 7.143 27.253 -4.250 1.00 0.00 C ATOM 782 CG GLU A 53 8.388 28.111 -4.104 1.00 0.00 C ATOM 783 CD GLU A 53 9.522 27.651 -4.999 1.00 0.00 C ATOM 784 OE1 GLU A 53 9.325 27.610 -6.232 1.00 0.00 O ATOM 785 OE2 GLU A 53 10.606 27.331 -4.468 1.00 0.00 O ATOM 0 H GLU A 53 5.226 25.624 -4.052 1.00 0.00 H new ATOM 0 HA GLU A 53 8.117 25.372 -3.884 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.957 27.075 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.285 27.804 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.141 29.146 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.719 28.091 -3.066 1.00 0.00 H new ATOM 792 N SER A 54 6.264 26.068 -1.311 1.00 0.00 N ATOM 793 CA SER A 54 6.265 26.270 0.133 1.00 0.00 C ATOM 794 C SER A 54 6.981 25.124 0.841 1.00 0.00 C ATOM 795 O SER A 54 7.025 24.001 0.339 1.00 0.00 O ATOM 796 CB SER A 54 4.832 26.391 0.654 1.00 0.00 C ATOM 797 OG SER A 54 4.789 27.128 1.864 1.00 0.00 O ATOM 0 H SER A 54 5.345 25.876 -1.709 1.00 0.00 H new ATOM 0 HA SER A 54 6.800 27.196 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.209 26.880 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.415 25.397 0.815 1.00 0.00 H new ATOM 0 HG SER A 54 3.862 27.192 2.175 1.00 0.00 H new ATOM 803 N GLU A 55 7.540 25.416 2.011 1.00 0.00 N ATOM 804 CA GLU A 55 8.255 24.410 2.789 1.00 0.00 C ATOM 805 C GLU A 55 7.279 23.518 3.552 1.00 0.00 C ATOM 806 O GLU A 55 7.350 22.293 3.469 1.00 0.00 O ATOM 807 CB GLU A 55 9.221 25.081 3.767 1.00 0.00 C ATOM 808 CG GLU A 55 10.224 24.122 4.386 1.00 0.00 C ATOM 809 CD GLU A 55 11.200 24.818 5.315 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.344 26.053 5.207 1.00 0.00 O ATOM 811 OE2 GLU A 55 11.819 24.126 6.150 1.00 0.00 O ATOM 0 H GLU A 55 7.512 26.340 2.441 1.00 0.00 H new ATOM 0 HA GLU A 55 8.824 23.789 2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.761 25.872 3.246 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.647 25.557 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.689 23.350 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.778 23.620 3.593 1.00 0.00 H new ATOM 818 N GLN A 56 6.371 24.144 4.293 1.00 0.00 N ATOM 819 CA GLN A 56 5.383 23.407 5.072 1.00 0.00 C ATOM 820 C GLN A 56 4.660 22.382 4.204 1.00 0.00 C ATOM 821 O GLN A 56 4.599 21.201 4.542 1.00 0.00 O ATOM 822 CB GLN A 56 4.371 24.371 5.694 1.00 0.00 C ATOM 823 CG GLN A 56 4.812 24.935 7.035 1.00 0.00 C ATOM 824 CD GLN A 56 4.574 23.971 8.180 1.00 0.00 C ATOM 825 OE1 GLN A 56 3.545 23.296 8.235 1.00 0.00 O ATOM 826 NE2 GLN A 56 5.526 23.900 9.103 1.00 0.00 N ATOM 0 H GLN A 56 6.299 25.158 4.370 1.00 0.00 H new ATOM 0 HA GLN A 56 5.906 22.877 5.868 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.195 25.195 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.420 23.854 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.872 25.184 6.989 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.275 25.863 7.229 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.363 24.477 9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.421 23.268 9.897 1.00 0.00 H new ATOM 835 N ALA A 57 4.112 22.844 3.085 1.00 0.00 N ATOM 836 CA ALA A 57 3.394 21.967 2.168 1.00 0.00 C ATOM 837 C ALA A 57 4.198 20.705 1.872 1.00 0.00 C ATOM 838 O ALA A 57 3.650 19.604 1.828 1.00 0.00 O ATOM 839 CB ALA A 57 3.072 22.704 0.876 1.00 0.00 C ATOM 0 H ALA A 57 4.151 23.820 2.792 1.00 0.00 H new ATOM 0 HA ALA A 57 2.461 21.669 2.646 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.536 22.037 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.451 23.572 1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.998 23.031 0.403 1.00 0.00 H new ATOM 845 N HIS A 58 5.501 20.873 1.670 1.00 0.00 N ATOM 846 CA HIS A 58 6.381 19.747 1.379 1.00 0.00 C ATOM 847 C HIS A 58 6.430 18.777 2.555 1.00 0.00 C ATOM 848 O HIS A 58 6.514 17.562 2.369 1.00 0.00 O ATOM 849 CB HIS A 58 7.790 20.244 1.054 1.00 0.00 C ATOM 850 CG HIS A 58 8.803 19.146 0.949 1.00 0.00 C ATOM 851 ND1 HIS A 58 9.140 18.329 2.008 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.553 18.730 -0.098 1.00 0.00 C ATOM 853 CE1 HIS A 58 10.055 17.460 1.616 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.323 17.682 0.342 1.00 0.00 N ATOM 0 H HIS A 58 5.971 21.778 1.702 1.00 0.00 H new ATOM 0 HA HIS A 58 5.981 19.220 0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.764 20.795 0.114 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.106 20.946 1.826 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.547 19.145 -1.095 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.507 16.697 2.233 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.993 17.160 -0.223 1.00 0.00 H new ATOM 863 N LEU A 59 6.377 19.320 3.766 1.00 0.00 N ATOM 864 CA LEU A 59 6.416 18.503 4.974 1.00 0.00 C ATOM 865 C LEU A 59 5.193 17.595 5.056 1.00 0.00 C ATOM 866 O LEU A 59 5.314 16.370 5.033 1.00 0.00 O ATOM 867 CB LEU A 59 6.487 19.394 6.215 1.00 0.00 C ATOM 868 CG LEU A 59 7.458 20.573 6.139 1.00 0.00 C ATOM 869 CD1 LEU A 59 7.574 21.257 7.493 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.824 20.108 5.656 1.00 0.00 C ATOM 0 H LEU A 59 6.307 20.323 3.938 1.00 0.00 H new ATOM 0 HA LEU A 59 7.308 17.878 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.489 19.783 6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.765 18.774 7.067 1.00 0.00 H new ATOM 0 HG LEU A 59 7.067 21.295 5.422 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.269 22.093 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.595 21.625 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.941 20.544 8.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.502 20.960 5.608 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.222 19.366 6.349 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.728 19.664 4.665 1.00 0.00 H new ATOM 882 N SER A 60 4.015 18.203 5.150 1.00 0.00 N ATOM 883 CA SER A 60 2.770 17.450 5.237 1.00 0.00 C ATOM 884 C SER A 60 2.798 16.245 4.302 1.00 0.00 C ATOM 885 O SER A 60 2.136 15.236 4.550 1.00 0.00 O ATOM 886 CB SER A 60 1.580 18.348 4.894 1.00 0.00 C ATOM 887 OG SER A 60 1.314 19.265 5.942 1.00 0.00 O ATOM 0 H SER A 60 3.897 19.216 5.168 1.00 0.00 H new ATOM 0 HA SER A 60 2.662 17.092 6.261 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.786 18.893 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.698 17.734 4.711 1.00 0.00 H new ATOM 0 HG SER A 60 0.345 19.354 6.061 1.00 0.00 H new ATOM 893 N LEU A 61 3.568 16.357 3.226 1.00 0.00 N ATOM 894 CA LEU A 61 3.684 15.277 2.252 1.00 0.00 C ATOM 895 C LEU A 61 4.800 14.312 2.639 1.00 0.00 C ATOM 896 O LEU A 61 4.580 13.106 2.745 1.00 0.00 O ATOM 897 CB LEU A 61 3.948 15.848 0.857 1.00 0.00 C ATOM 898 CG LEU A 61 2.990 16.943 0.388 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.572 17.686 -0.805 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.632 16.351 0.039 1.00 0.00 C ATOM 0 H LEU A 61 4.122 17.185 3.005 1.00 0.00 H new ATOM 0 HA LEU A 61 2.742 14.728 2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.962 16.247 0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.912 15.029 0.138 1.00 0.00 H new ATOM 0 HG LEU A 61 2.855 17.654 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.876 18.462 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.520 18.143 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.737 16.986 -1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.963 17.145 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.749 15.618 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.210 15.865 0.919 1.00 0.00 H new ATOM 912 N GLU A 62 5.996 14.852 2.850 1.00 0.00 N ATOM 913 CA GLU A 62 7.145 14.038 3.226 1.00 0.00 C ATOM 914 C GLU A 62 6.815 13.150 4.422 1.00 0.00 C ATOM 915 O GLU A 62 7.417 12.092 4.610 1.00 0.00 O ATOM 916 CB GLU A 62 8.344 14.930 3.555 1.00 0.00 C ATOM 917 CG GLU A 62 8.388 15.380 5.006 1.00 0.00 C ATOM 918 CD GLU A 62 9.548 16.314 5.292 1.00 0.00 C ATOM 919 OE1 GLU A 62 9.539 17.449 4.773 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.465 15.908 6.037 1.00 0.00 O ATOM 0 H GLU A 62 6.194 15.849 2.767 1.00 0.00 H new ATOM 0 HA GLU A 62 7.398 13.399 2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.262 14.390 3.323 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.320 15.809 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.453 15.881 5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.463 14.505 5.652 1.00 0.00 H new ATOM 927 N LEU A 63 5.855 13.588 5.229 1.00 0.00 N ATOM 928 CA LEU A 63 5.443 12.834 6.409 1.00 0.00 C ATOM 929 C LEU A 63 4.481 11.713 6.030 1.00 0.00 C ATOM 930 O LEU A 63 4.665 10.564 6.428 1.00 0.00 O ATOM 931 CB LEU A 63 4.784 13.765 7.428 1.00 0.00 C ATOM 932 CG LEU A 63 5.732 14.642 8.247 1.00 0.00 C ATOM 933 CD1 LEU A 63 4.953 15.710 9.000 1.00 0.00 C ATOM 934 CD2 LEU A 63 6.545 13.792 9.213 1.00 0.00 C ATOM 0 H LEU A 63 5.347 14.461 5.088 1.00 0.00 H new ATOM 0 HA LEU A 63 6.332 12.389 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.086 14.414 6.899 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.196 13.159 8.117 1.00 0.00 H new ATOM 0 HG LEU A 63 6.421 15.137 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.643 16.325 9.577 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.416 16.338 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.241 15.234 9.674 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.214 14.433 9.787 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.872 13.269 9.892 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.132 13.065 8.652 1.00 0.00 H new ATOM 946 N GLN A 64 3.456 12.056 5.256 1.00 0.00 N ATOM 947 CA GLN A 64 2.466 11.078 4.822 1.00 0.00 C ATOM 948 C GLN A 64 3.094 10.041 3.897 1.00 0.00 C ATOM 949 O GLN A 64 2.654 8.893 3.845 1.00 0.00 O ATOM 950 CB GLN A 64 1.305 11.776 4.111 1.00 0.00 C ATOM 951 CG GLN A 64 -0.022 11.048 4.254 1.00 0.00 C ATOM 952 CD GLN A 64 -0.299 10.614 5.680 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.111 9.532 6.103 1.00 0.00 O ATOM 954 NE2 GLN A 64 -0.998 11.457 6.430 1.00 0.00 N ATOM 0 H GLN A 64 3.290 13.004 4.917 1.00 0.00 H new ATOM 0 HA GLN A 64 2.086 10.567 5.707 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.201 12.786 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.544 11.873 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.827 11.699 3.913 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -0.023 10.172 3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.318 12.343 6.039 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.215 11.219 7.398 1.00 0.00 H new ATOM 963 N ARG A 65 4.126 10.454 3.168 1.00 0.00 N ATOM 964 CA ARG A 65 4.814 9.561 2.243 1.00 0.00 C ATOM 965 C ARG A 65 5.547 8.457 2.998 1.00 0.00 C ATOM 966 O ARG A 65 5.569 7.304 2.566 1.00 0.00 O ATOM 967 CB ARG A 65 5.803 10.348 1.381 1.00 0.00 C ATOM 968 CG ARG A 65 6.102 9.692 0.043 1.00 0.00 C ATOM 969 CD ARG A 65 7.235 10.400 -0.683 1.00 0.00 C ATOM 970 NE ARG A 65 8.536 10.097 -0.094 1.00 0.00 N ATOM 971 CZ ARG A 65 9.677 10.625 -0.522 1.00 0.00 C ATOM 972 NH1 ARG A 65 9.677 11.479 -1.536 1.00 0.00 N ATOM 973 NH2 ARG A 65 10.822 10.301 0.066 1.00 0.00 N ATOM 0 H ARG A 65 4.504 11.401 3.200 1.00 0.00 H new ATOM 0 HA ARG A 65 4.066 9.101 1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.404 11.347 1.205 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.735 10.470 1.932 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.366 8.646 0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.206 9.705 -0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.234 10.104 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.066 11.477 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 65 8.571 9.444 0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.799 11.732 -1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.555 11.883 -1.863 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.826 9.646 0.848 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.698 10.707 -0.264 1.00 0.00 H new ATOM 987 N ASP A 66 6.147 8.817 4.127 1.00 0.00 N ATOM 988 CA ASP A 66 6.882 7.857 4.943 1.00 0.00 C ATOM 989 C ASP A 66 6.100 6.555 5.086 1.00 0.00 C ATOM 990 O ASP A 66 6.549 5.498 4.642 1.00 0.00 O ATOM 991 CB ASP A 66 7.172 8.445 6.325 1.00 0.00 C ATOM 992 CG ASP A 66 7.844 7.450 7.249 1.00 0.00 C ATOM 993 OD1 ASP A 66 7.138 6.578 7.798 1.00 0.00 O ATOM 994 OD2 ASP A 66 9.078 7.541 7.422 1.00 0.00 O ATOM 0 H ASP A 66 6.139 9.767 4.498 1.00 0.00 H new ATOM 0 HA ASP A 66 7.826 7.641 4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.809 9.323 6.217 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.239 8.782 6.776 1.00 0.00 H new ATOM 999 N SER A 67 4.928 6.639 5.708 1.00 0.00 N ATOM 1000 CA SER A 67 4.086 5.466 5.913 1.00 0.00 C ATOM 1001 C SER A 67 3.781 4.777 4.586 1.00 0.00 C ATOM 1002 O SER A 67 4.064 3.591 4.410 1.00 0.00 O ATOM 1003 CB SER A 67 2.781 5.864 6.605 1.00 0.00 C ATOM 1004 OG SER A 67 1.896 4.762 6.698 1.00 0.00 O ATOM 0 H SER A 67 4.540 7.507 6.078 1.00 0.00 H new ATOM 0 HA SER A 67 4.628 4.767 6.549 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.997 6.246 7.603 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.304 6.672 6.051 1.00 0.00 H new ATOM 0 HG SER A 67 1.070 5.042 7.145 1.00 0.00 H new ATOM 1010 N HIS A 68 3.202 5.528 3.655 1.00 0.00 N ATOM 1011 CA HIS A 68 2.859 4.991 2.344 1.00 0.00 C ATOM 1012 C HIS A 68 3.928 4.016 1.859 1.00 0.00 C ATOM 1013 O HIS A 68 3.642 3.099 1.091 1.00 0.00 O ATOM 1014 CB HIS A 68 2.691 6.126 1.332 1.00 0.00 C ATOM 1015 CG HIS A 68 1.295 6.664 1.262 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.222 5.917 0.824 1.00 0.00 N ATOM 1017 CD2 HIS A 68 0.799 7.883 1.579 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.874 6.653 0.873 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.551 7.851 1.328 1.00 0.00 N ATOM 0 H HIS A 68 2.961 6.511 3.785 1.00 0.00 H new ATOM 0 HA HIS A 68 1.916 4.453 2.435 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.372 6.937 1.592 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.984 5.768 0.345 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.267 4.947 0.511 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.360 8.724 1.959 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.865 6.331 0.590 1.00 0.00 H new ATOM 1028 N MET A 69 5.160 4.223 2.313 1.00 0.00 N ATOM 1029 CA MET A 69 6.271 3.361 1.926 1.00 0.00 C ATOM 1030 C MET A 69 6.525 2.293 2.985 1.00 0.00 C ATOM 1031 O MET A 69 6.779 1.132 2.663 1.00 0.00 O ATOM 1032 CB MET A 69 7.537 4.192 1.709 1.00 0.00 C ATOM 1033 CG MET A 69 7.619 4.825 0.329 1.00 0.00 C ATOM 1034 SD MET A 69 7.639 3.601 -0.995 1.00 0.00 S ATOM 1035 CE MET A 69 8.996 2.557 -0.472 1.00 0.00 C ATOM 0 H MET A 69 5.414 4.979 2.949 1.00 0.00 H new ATOM 0 HA MET A 69 6.006 2.865 0.992 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.580 4.978 2.463 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.409 3.556 1.861 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.769 5.493 0.189 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.519 5.437 0.267 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.400 2.027 -1.334 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.777 3.172 -0.026 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.638 1.836 0.263 1.00 0.00 H new ATOM 1045 N LYS A 70 6.456 2.693 4.250 1.00 0.00 N ATOM 1046 CA LYS A 70 6.678 1.770 5.358 1.00 0.00 C ATOM 1047 C LYS A 70 5.805 0.528 5.215 1.00 0.00 C ATOM 1048 O LYS A 70 6.238 -0.584 5.516 1.00 0.00 O ATOM 1049 CB LYS A 70 6.385 2.462 6.691 1.00 0.00 C ATOM 1050 CG LYS A 70 4.947 2.309 7.153 1.00 0.00 C ATOM 1051 CD LYS A 70 4.736 2.913 8.531 1.00 0.00 C ATOM 1052 CE LYS A 70 5.412 2.085 9.612 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.224 2.679 10.965 1.00 0.00 N ATOM 0 H LYS A 70 6.248 3.650 4.534 1.00 0.00 H new ATOM 0 HA LYS A 70 7.723 1.462 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.048 2.056 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.617 3.523 6.599 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.281 2.791 6.438 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.681 1.252 7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.131 3.929 8.549 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.668 2.983 8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.008 1.073 9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.477 2.005 9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.700 2.085 11.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.632 3.635 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.208 2.732 11.183 1.00 0.00 H new ATOM 1067 N GLN A 71 4.574 0.726 4.752 1.00 0.00 N ATOM 1068 CA GLN A 71 3.641 -0.379 4.568 1.00 0.00 C ATOM 1069 C GLN A 71 3.962 -1.157 3.296 1.00 0.00 C ATOM 1070 O GLN A 71 3.672 -2.350 3.195 1.00 0.00 O ATOM 1071 CB GLN A 71 2.204 0.142 4.513 1.00 0.00 C ATOM 1072 CG GLN A 71 1.618 0.457 5.880 1.00 0.00 C ATOM 1073 CD GLN A 71 1.489 -0.773 6.757 1.00 0.00 C ATOM 1074 OE1 GLN A 71 0.502 -1.505 6.677 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.487 -1.007 7.600 1.00 0.00 N ATOM 0 H GLN A 71 4.201 1.641 4.498 1.00 0.00 H new ATOM 0 HA GLN A 71 3.743 -1.052 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.176 1.042 3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.576 -0.600 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.249 1.191 6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.636 0.913 5.754 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.286 -0.374 7.633 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.455 -1.820 8.215 1.00 0.00 H new ATOM 1084 N LEU A 72 4.560 -0.474 2.326 1.00 0.00 N ATOM 1085 CA LEU A 72 4.920 -1.101 1.059 1.00 0.00 C ATOM 1086 C LEU A 72 6.024 -2.134 1.257 1.00 0.00 C ATOM 1087 O LEU A 72 5.927 -3.263 0.774 1.00 0.00 O ATOM 1088 CB LEU A 72 5.372 -0.040 0.053 1.00 0.00 C ATOM 1089 CG LEU A 72 5.955 -0.565 -1.259 1.00 0.00 C ATOM 1090 CD1 LEU A 72 4.988 -1.533 -1.924 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.286 0.588 -2.195 1.00 0.00 C ATOM 0 H LEU A 72 4.806 0.514 2.393 1.00 0.00 H new ATOM 0 HA LEU A 72 4.038 -1.610 0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.519 0.597 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.120 0.592 0.533 1.00 0.00 H new ATOM 0 HG LEU A 72 6.877 -1.101 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.420 -1.896 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.801 -2.376 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.049 -1.022 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.700 0.195 -3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.379 1.152 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.017 1.243 -1.721 1.00 0.00 H new ATOM 1103 N LEU A 73 7.074 -1.741 1.970 1.00 0.00 N ATOM 1104 CA LEU A 73 8.197 -2.634 2.235 1.00 0.00 C ATOM 1105 C LEU A 73 7.748 -3.849 3.040 1.00 0.00 C ATOM 1106 O LEU A 73 8.267 -4.952 2.860 1.00 0.00 O ATOM 1107 CB LEU A 73 9.300 -1.888 2.987 1.00 0.00 C ATOM 1108 CG LEU A 73 9.617 -0.478 2.488 1.00 0.00 C ATOM 1109 CD1 LEU A 73 10.781 0.115 3.269 1.00 0.00 C ATOM 1110 CD2 LEU A 73 9.926 -0.496 0.998 1.00 0.00 C ATOM 0 H LEU A 73 7.171 -0.810 2.375 1.00 0.00 H new ATOM 0 HA LEU A 73 8.588 -2.980 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.017 -1.825 4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.212 -2.483 2.938 1.00 0.00 H new ATOM 0 HG LEU A 73 8.740 0.150 2.649 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.993 1.119 2.900 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.522 0.164 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.663 -0.512 3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.149 0.516 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.787 -1.138 0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.064 -0.879 0.452 1.00 0.00 H new ATOM 1122 N LEU A 74 6.781 -3.641 3.926 1.00 0.00 N ATOM 1123 CA LEU A 74 6.260 -4.720 4.758 1.00 0.00 C ATOM 1124 C LEU A 74 5.427 -5.693 3.930 1.00 0.00 C ATOM 1125 O LEU A 74 5.730 -6.884 3.862 1.00 0.00 O ATOM 1126 CB LEU A 74 5.415 -4.150 5.898 1.00 0.00 C ATOM 1127 CG LEU A 74 6.186 -3.662 7.126 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.314 -2.752 7.977 1.00 0.00 C ATOM 1129 CD2 LEU A 74 6.687 -4.843 7.945 1.00 0.00 C ATOM 0 H LEU A 74 6.341 -2.735 4.087 1.00 0.00 H new ATOM 0 HA LEU A 74 7.107 -5.262 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.828 -3.318 5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.709 -4.916 6.218 1.00 0.00 H new ATOM 0 HG LEU A 74 7.049 -3.089 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.879 -2.415 8.846 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.005 -1.889 7.388 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.432 -3.299 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.233 -4.477 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.839 -5.443 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.348 -5.456 7.333 1.00 0.00 H new ATOM 1141 N ILE A 75 4.376 -5.176 3.300 1.00 0.00 N ATOM 1142 CA ILE A 75 3.501 -5.998 2.474 1.00 0.00 C ATOM 1143 C ILE A 75 4.305 -6.823 1.474 1.00 0.00 C ATOM 1144 O ILE A 75 3.977 -7.978 1.203 1.00 0.00 O ATOM 1145 CB ILE A 75 2.479 -5.138 1.709 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.559 -4.407 2.689 1.00 0.00 C ATOM 1147 CG2 ILE A 75 1.666 -6.003 0.757 1.00 0.00 C ATOM 1148 CD1 ILE A 75 0.904 -3.177 2.100 1.00 0.00 C ATOM 0 H ILE A 75 4.111 -4.192 3.346 1.00 0.00 H new ATOM 0 HA ILE A 75 2.967 -6.668 3.148 1.00 0.00 H new ATOM 0 HB ILE A 75 3.019 -4.394 1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 75 0.784 -5.094 3.029 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.135 -4.117 3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.948 -5.381 0.223 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.333 -6.482 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.134 -6.767 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.266 -2.710 2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.672 -2.471 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.301 -3.463 1.239 1.00 0.00 H new ATOM 1160 N GLN A 76 5.359 -6.222 0.931 1.00 0.00 N ATOM 1161 CA GLN A 76 6.210 -6.902 -0.038 1.00 0.00 C ATOM 1162 C GLN A 76 6.816 -8.166 0.562 1.00 0.00 C ATOM 1163 O GLN A 76 6.710 -9.249 -0.012 1.00 0.00 O ATOM 1164 CB GLN A 76 7.321 -5.966 -0.518 1.00 0.00 C ATOM 1165 CG GLN A 76 6.885 -5.020 -1.625 1.00 0.00 C ATOM 1166 CD GLN A 76 8.050 -4.510 -2.449 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.872 -5.289 -2.933 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.128 -3.195 -2.615 1.00 0.00 N ATOM 0 H GLN A 76 5.644 -5.266 1.146 1.00 0.00 H new ATOM 0 HA GLN A 76 5.592 -7.187 -0.890 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.682 -5.380 0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.160 -6.564 -0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.179 -5.533 -2.279 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.356 -4.173 -1.187 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.425 -2.586 -2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.891 -2.794 -3.161 1.00 0.00 H new ATOM 1177 N GLU A 77 7.453 -8.018 1.720 1.00 0.00 N ATOM 1178 CA GLU A 77 8.078 -9.149 2.396 1.00 0.00 C ATOM 1179 C GLU A 77 7.024 -10.119 2.922 1.00 0.00 C ATOM 1180 O GLU A 77 7.247 -11.328 2.970 1.00 0.00 O ATOM 1181 CB GLU A 77 8.956 -8.659 3.550 1.00 0.00 C ATOM 1182 CG GLU A 77 8.220 -7.777 4.544 1.00 0.00 C ATOM 1183 CD GLU A 77 8.969 -7.622 5.853 1.00 0.00 C ATOM 1184 OE1 GLU A 77 9.491 -8.636 6.361 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.034 -6.486 6.369 1.00 0.00 O ATOM 0 H GLU A 77 7.550 -7.128 2.208 1.00 0.00 H new ATOM 0 HA GLU A 77 8.701 -9.674 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.365 -9.522 4.076 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.801 -8.105 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.060 -6.793 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.236 -8.201 4.741 1.00 0.00 H new ATOM 1192 N ARG A 78 5.875 -9.578 3.315 1.00 0.00 N ATOM 1193 CA ARG A 78 4.786 -10.395 3.838 1.00 0.00 C ATOM 1194 C ARG A 78 4.194 -11.278 2.744 1.00 0.00 C ATOM 1195 O ARG A 78 3.503 -12.256 3.029 1.00 0.00 O ATOM 1196 CB ARG A 78 3.695 -9.505 4.437 1.00 0.00 C ATOM 1197 CG ARG A 78 4.032 -8.976 5.821 1.00 0.00 C ATOM 1198 CD ARG A 78 4.074 -10.094 6.850 1.00 0.00 C ATOM 1199 NE ARG A 78 3.741 -9.618 8.190 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.496 -9.469 8.629 1.00 0.00 C ATOM 1201 NH1 ARG A 78 1.472 -9.759 7.838 1.00 0.00 N ATOM 1202 NH2 ARG A 78 2.273 -9.031 9.861 1.00 0.00 N ATOM 0 H ARG A 78 5.674 -8.579 3.281 1.00 0.00 H new ATOM 0 HA ARG A 78 5.191 -11.038 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.518 -8.662 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.765 -10.071 4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.997 -8.469 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.291 -8.234 6.118 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.376 -10.879 6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.069 -10.540 6.861 1.00 0.00 H new ATOM 0 HE ARG A 78 4.506 -9.387 8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.639 -10.097 6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.517 -9.644 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.058 -8.808 10.473 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.316 -8.917 10.196 1.00 0.00 H new ATOM 1216 N TRP A 79 4.470 -10.926 1.494 1.00 0.00 N ATOM 1217 CA TRP A 79 3.964 -11.687 0.357 1.00 0.00 C ATOM 1218 C TRP A 79 4.933 -12.799 -0.029 1.00 0.00 C ATOM 1219 O TRP A 79 4.615 -13.982 0.093 1.00 0.00 O ATOM 1220 CB TRP A 79 3.729 -10.761 -0.838 1.00 0.00 C ATOM 1221 CG TRP A 79 3.003 -11.424 -1.970 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.114 -12.457 -1.880 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.106 -11.102 -3.361 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.658 -12.795 -3.131 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.251 -11.978 -4.056 1.00 0.00 C ATOM 1226 CE3 TRP A 79 3.837 -10.156 -4.086 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.109 -11.936 -5.441 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.695 -10.116 -5.460 1.00 0.00 C ATOM 1229 CH2 TRP A 79 2.836 -11.001 -6.126 1.00 0.00 C ATOM 0 H TRP A 79 5.041 -10.119 1.242 1.00 0.00 H new ATOM 0 HA TRP A 79 3.017 -12.141 0.648 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.158 -9.893 -0.509 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.690 -10.393 -1.198 1.00 0.00 H new ATOM 0 HD1 TRP A 79 1.814 -12.937 -0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 79 0.987 -13.535 -3.337 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.500 -9.469 -3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.448 -12.618 -5.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.256 -9.390 -6.031 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.746 -10.944 -7.201 1.00 0.00 H new ATOM 1240 N LYS A 80 6.116 -12.412 -0.494 1.00 0.00 N ATOM 1241 CA LYS A 80 7.133 -13.377 -0.896 1.00 0.00 C ATOM 1242 C LYS A 80 7.181 -14.553 0.074 1.00 0.00 C ATOM 1243 O LYS A 80 7.483 -15.681 -0.317 1.00 0.00 O ATOM 1244 CB LYS A 80 8.505 -12.703 -0.965 1.00 0.00 C ATOM 1245 CG LYS A 80 9.140 -12.475 0.396 1.00 0.00 C ATOM 1246 CD LYS A 80 10.477 -11.762 0.275 1.00 0.00 C ATOM 1247 CE LYS A 80 11.170 -11.645 1.624 1.00 0.00 C ATOM 1248 NZ LYS A 80 12.464 -10.916 1.521 1.00 0.00 N ATOM 0 H LYS A 80 6.394 -11.437 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 80 6.870 -13.755 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.172 -13.317 -1.570 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.405 -11.745 -1.475 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.467 -11.885 1.018 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.281 -13.432 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.119 -12.305 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.324 -10.768 -0.144 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.516 -11.126 2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.346 -12.641 2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.905 -10.857 2.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.098 -11.424 0.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.294 -9.956 1.158 1.00 0.00 H new ATOM 1262 N ARG A 81 6.879 -14.283 1.340 1.00 0.00 N ATOM 1263 CA ARG A 81 6.888 -15.320 2.365 1.00 0.00 C ATOM 1264 C ARG A 81 5.805 -16.361 2.095 1.00 0.00 C ATOM 1265 O ARG A 81 6.087 -17.555 2.007 1.00 0.00 O ATOM 1266 CB ARG A 81 6.681 -14.700 3.749 1.00 0.00 C ATOM 1267 CG ARG A 81 7.953 -14.138 4.360 1.00 0.00 C ATOM 1268 CD ARG A 81 7.723 -13.664 5.787 1.00 0.00 C ATOM 1269 NE ARG A 81 7.936 -14.733 6.759 1.00 0.00 N ATOM 1270 CZ ARG A 81 7.603 -14.636 8.042 1.00 0.00 C ATOM 1271 NH1 ARG A 81 7.045 -13.526 8.504 1.00 0.00 N ATOM 1272 NH2 ARG A 81 7.829 -15.652 8.865 1.00 0.00 N ATOM 0 H ARG A 81 6.625 -13.356 1.680 1.00 0.00 H new ATOM 0 HA ARG A 81 7.859 -15.815 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.941 -13.903 3.674 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.269 -15.455 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.731 -14.901 4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.313 -13.307 3.753 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.396 -12.835 6.007 1.00 0.00 H new ATOM 0 HD3 ARG A 81 6.706 -13.284 5.883 1.00 0.00 H new ATOM 0 HE ARG A 81 8.363 -15.601 6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.870 -12.743 7.874 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.791 -13.455 9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.258 -16.508 8.513 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.573 -15.577 9.850 1.00 0.00 H new ATOM 1286 N ALA A 82 4.566 -15.898 1.965 1.00 0.00 N ATOM 1287 CA ALA A 82 3.442 -16.788 1.704 1.00 0.00 C ATOM 1288 C ALA A 82 3.745 -17.730 0.543 1.00 0.00 C ATOM 1289 O ALA A 82 3.375 -18.904 0.569 1.00 0.00 O ATOM 1290 CB ALA A 82 2.185 -15.981 1.415 1.00 0.00 C ATOM 0 H ALA A 82 4.316 -14.912 2.036 1.00 0.00 H new ATOM 0 HA ALA A 82 3.276 -17.393 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.354 -16.659 1.222 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.950 -15.354 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.350 -15.351 0.541 1.00 0.00 H new ATOM 1296 N LYS A 83 4.422 -17.208 -0.475 1.00 0.00 N ATOM 1297 CA LYS A 83 4.776 -18.002 -1.645 1.00 0.00 C ATOM 1298 C LYS A 83 5.525 -19.267 -1.238 1.00 0.00 C ATOM 1299 O LYS A 83 5.474 -20.281 -1.936 1.00 0.00 O ATOM 1300 CB LYS A 83 5.634 -17.176 -2.606 1.00 0.00 C ATOM 1301 CG LYS A 83 5.004 -15.851 -2.999 1.00 0.00 C ATOM 1302 CD LYS A 83 3.944 -16.035 -4.072 1.00 0.00 C ATOM 1303 CE LYS A 83 4.539 -15.931 -5.468 1.00 0.00 C ATOM 1304 NZ LYS A 83 5.170 -17.209 -5.898 1.00 0.00 N ATOM 0 H LYS A 83 4.736 -16.238 -0.513 1.00 0.00 H new ATOM 0 HA LYS A 83 3.854 -18.293 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.602 -16.985 -2.143 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.821 -17.761 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.557 -15.385 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.777 -15.173 -3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.467 -17.007 -3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.166 -15.281 -3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.758 -15.655 -6.176 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.283 -15.134 -5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.134 -17.282 -6.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.161 -17.230 -5.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.656 -18.009 -5.477 1.00 0.00 H new ATOM 1318 N ARG A 84 6.217 -19.202 -0.106 1.00 0.00 N ATOM 1319 CA ARG A 84 6.975 -20.342 0.393 1.00 0.00 C ATOM 1320 C ARG A 84 6.140 -21.164 1.372 1.00 0.00 C ATOM 1321 O ARG A 84 6.092 -22.390 1.282 1.00 0.00 O ATOM 1322 CB ARG A 84 8.260 -19.869 1.075 1.00 0.00 C ATOM 1323 CG ARG A 84 8.828 -18.590 0.483 1.00 0.00 C ATOM 1324 CD ARG A 84 9.515 -18.850 -0.849 1.00 0.00 C ATOM 1325 NE ARG A 84 10.932 -19.162 -0.682 1.00 0.00 N ATOM 1326 CZ ARG A 84 11.802 -19.189 -1.685 1.00 0.00 C ATOM 1327 NH1 ARG A 84 11.402 -18.924 -2.921 1.00 0.00 N ATOM 1328 NH2 ARG A 84 13.076 -19.481 -1.454 1.00 0.00 N ATOM 0 H ARG A 84 6.268 -18.371 0.483 1.00 0.00 H new ATOM 0 HA ARG A 84 7.234 -20.973 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 84 8.062 -19.712 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 84 9.010 -20.657 1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.026 -17.864 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 84 9.540 -18.149 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.019 -19.677 -1.357 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.410 -17.974 -1.488 1.00 0.00 H new ATOM 0 HE ARG A 84 11.272 -19.371 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 84 10.424 -18.699 -3.103 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.072 -18.945 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 84 13.388 -19.685 -0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.743 -19.501 -2.226 1.00 0.00 H new ATOM 1342 N GLU A 85 5.486 -20.479 2.304 1.00 0.00 N ATOM 1343 CA GLU A 85 4.655 -21.146 3.299 1.00 0.00 C ATOM 1344 C GLU A 85 3.336 -21.607 2.686 1.00 0.00 C ATOM 1345 O GLU A 85 2.565 -22.329 3.317 1.00 0.00 O ATOM 1346 CB GLU A 85 4.382 -20.210 4.479 1.00 0.00 C ATOM 1347 CG GLU A 85 5.603 -19.425 4.928 1.00 0.00 C ATOM 1348 CD GLU A 85 6.402 -20.149 5.994 1.00 0.00 C ATOM 1349 OE1 GLU A 85 6.052 -20.020 7.186 1.00 0.00 O ATOM 1350 OE2 GLU A 85 7.376 -20.843 5.637 1.00 0.00 O ATOM 0 H GLU A 85 5.515 -19.463 2.391 1.00 0.00 H new ATOM 0 HA GLU A 85 5.195 -22.022 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.593 -19.511 4.202 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.009 -20.797 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.243 -19.233 4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.286 -18.456 5.312 1.00 0.00 H new ATOM 1357 N GLU A 86 3.084 -21.183 1.451 1.00 0.00 N ATOM 1358 CA GLU A 86 1.858 -21.551 0.753 1.00 0.00 C ATOM 1359 C GLU A 86 2.010 -22.904 0.063 1.00 0.00 C ATOM 1360 O GLU A 86 1.282 -23.851 0.362 1.00 0.00 O ATOM 1361 CB GLU A 86 1.489 -20.480 -0.276 1.00 0.00 C ATOM 1362 CG GLU A 86 0.387 -20.907 -1.231 1.00 0.00 C ATOM 1363 CD GLU A 86 -0.998 -20.741 -0.635 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -1.334 -19.610 -0.225 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -1.744 -21.740 -0.579 1.00 0.00 O ATOM 0 H GLU A 86 3.712 -20.585 0.914 1.00 0.00 H new ATOM 0 HA GLU A 86 1.059 -21.626 1.491 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.174 -19.578 0.248 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.377 -20.221 -0.852 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.457 -20.320 -2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.536 -21.950 -1.509 1.00 0.00 H new ATOM 1372 N ARG A 87 2.960 -22.986 -0.862 1.00 0.00 N ATOM 1373 CA ARG A 87 3.207 -24.221 -1.597 1.00 0.00 C ATOM 1374 C ARG A 87 3.778 -25.296 -0.676 1.00 0.00 C ATOM 1375 O ARG A 87 3.604 -26.491 -0.917 1.00 0.00 O ATOM 1376 CB ARG A 87 4.170 -23.965 -2.758 1.00 0.00 C ATOM 1377 CG ARG A 87 3.516 -23.294 -3.954 1.00 0.00 C ATOM 1378 CD ARG A 87 2.612 -22.149 -3.525 1.00 0.00 C ATOM 1379 NE ARG A 87 1.971 -21.500 -4.666 1.00 0.00 N ATOM 1380 CZ ARG A 87 0.907 -21.993 -5.289 1.00 0.00 C ATOM 1381 NH1 ARG A 87 0.366 -23.133 -4.884 1.00 0.00 N ATOM 1382 NH2 ARG A 87 0.381 -21.344 -6.320 1.00 0.00 N ATOM 0 H ARG A 87 3.572 -22.212 -1.121 1.00 0.00 H new ATOM 0 HA ARG A 87 2.256 -24.575 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.992 -23.341 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.603 -24.913 -3.076 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.286 -22.918 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.935 -24.028 -4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 87 1.847 -22.526 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.196 -21.414 -2.971 1.00 0.00 H new ATOM 0 HE ARG A 87 2.362 -20.620 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.767 -23.635 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.451 -23.509 -5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.794 -20.466 -6.634 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -0.436 -21.723 -6.798 1.00 0.00 H new ATOM 1396 N LEU A 88 4.461 -24.863 0.378 1.00 0.00 N ATOM 1397 CA LEU A 88 5.058 -25.788 1.335 1.00 0.00 C ATOM 1398 C LEU A 88 3.987 -26.437 2.206 1.00 0.00 C ATOM 1399 O LEU A 88 3.969 -27.656 2.382 1.00 0.00 O ATOM 1400 CB LEU A 88 6.073 -25.056 2.216 1.00 0.00 C ATOM 1401 CG LEU A 88 7.412 -24.719 1.558 1.00 0.00 C ATOM 1402 CD1 LEU A 88 8.125 -23.622 2.333 1.00 0.00 C ATOM 1403 CD2 LEU A 88 8.286 -25.960 1.460 1.00 0.00 C ATOM 0 H LEU A 88 4.615 -23.878 0.592 1.00 0.00 H new ATOM 0 HA LEU A 88 5.569 -26.571 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.619 -24.129 2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.267 -25.668 3.097 1.00 0.00 H new ATOM 0 HG LEU A 88 7.218 -24.356 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 88 9.076 -23.395 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.504 -22.726 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 88 8.307 -23.957 3.354 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.234 -25.701 0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.472 -26.354 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.778 -26.716 0.861 1.00 0.00 H new ATOM 1415 N LYS A 89 3.094 -25.616 2.747 1.00 0.00 N ATOM 1416 CA LYS A 89 2.017 -26.109 3.597 1.00 0.00 C ATOM 1417 C LYS A 89 0.983 -26.873 2.776 1.00 0.00 C ATOM 1418 O LYS A 89 0.354 -27.810 3.269 1.00 0.00 O ATOM 1419 CB LYS A 89 1.344 -24.946 4.330 1.00 0.00 C ATOM 1420 CG LYS A 89 0.309 -24.216 3.491 1.00 0.00 C ATOM 1421 CD LYS A 89 -0.317 -23.064 4.257 1.00 0.00 C ATOM 1422 CE LYS A 89 -1.734 -22.783 3.781 1.00 0.00 C ATOM 1423 NZ LYS A 89 -2.454 -21.855 4.697 1.00 0.00 N ATOM 0 H LYS A 89 3.095 -24.605 2.612 1.00 0.00 H new ATOM 0 HA LYS A 89 2.449 -26.790 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.866 -25.325 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.108 -24.237 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.777 -23.838 2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -0.469 -24.914 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.329 -23.298 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.293 -22.169 4.134 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -1.702 -22.353 2.780 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -2.285 -23.721 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.416 -21.689 4.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.507 -22.276 5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.943 -20.951 4.748 1.00 0.00 H new ATOM 1437 N ALA A 90 0.813 -26.469 1.522 1.00 0.00 N ATOM 1438 CA ALA A 90 -0.142 -27.118 0.632 1.00 0.00 C ATOM 1439 C ALA A 90 0.250 -28.568 0.371 1.00 0.00 C ATOM 1440 O ALA A 90 -0.467 -29.494 0.753 1.00 0.00 O ATOM 1441 CB ALA A 90 -0.246 -26.353 -0.679 1.00 0.00 C ATOM 0 H ALA A 90 1.325 -25.695 1.099 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.117 -27.114 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.963 -26.849 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -0.580 -25.335 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.730 -26.327 -1.163 1.00 0.00 H new ATOM 1447 N HIS A 91 1.391 -28.760 -0.283 1.00 0.00 N ATOM 1448 CA HIS A 91 1.877 -30.099 -0.596 1.00 0.00 C ATOM 1449 C HIS A 91 3.323 -30.052 -1.081 1.00 0.00 C ATOM 1450 O HIS A 91 3.711 -29.148 -1.821 1.00 0.00 O ATOM 1451 CB HIS A 91 0.992 -30.751 -1.658 1.00 0.00 C ATOM 1452 CG HIS A 91 1.643 -31.907 -2.354 1.00 0.00 C ATOM 1453 ND1 HIS A 91 2.586 -31.939 -3.324 1.00 0.00 N flip ATOM 1454 CD2 HIS A 91 1.338 -33.222 -2.074 1.00 0.00 C flip ATOM 1455 CE1 HIS A 91 2.833 -33.259 -3.608 1.00 0.00 C flip ATOM 1456 NE2 HIS A 91 2.067 -34.013 -2.840 1.00 0.00 N flip ATOM 0 H HIS A 91 1.996 -28.005 -0.606 1.00 0.00 H new ATOM 0 HA HIS A 91 1.837 -30.696 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 91 0.069 -31.093 -1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.715 -30.001 -2.399 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.616 -33.553 -1.343 1.00 0.00 H new ATOM 0 HE1 HIS A 91 3.539 -33.622 -4.340 1.00 0.00 H new ATOM 0 HE2 HIS A 91 2.043 -35.033 -2.839 1.00 0.00 H new ATOM 1465 N SER A 92 4.116 -31.032 -0.658 1.00 0.00 N ATOM 1466 CA SER A 92 5.520 -31.100 -1.046 1.00 0.00 C ATOM 1467 C SER A 92 5.661 -31.193 -2.562 1.00 0.00 C ATOM 1468 O SER A 92 5.374 -32.229 -3.161 1.00 0.00 O ATOM 1469 CB SER A 92 6.196 -32.302 -0.384 1.00 0.00 C ATOM 1470 OG SER A 92 5.626 -33.519 -0.834 1.00 0.00 O ATOM 0 H SER A 92 3.810 -31.789 -0.047 1.00 0.00 H new ATOM 0 HA SER A 92 6.009 -30.186 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.263 -32.292 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.096 -32.229 0.699 1.00 0.00 H new ATOM 0 HG SER A 92 5.339 -33.421 -1.766 1.00 0.00 H new ATOM 1476 N GLY A 93 6.107 -30.102 -3.177 1.00 0.00 N ATOM 1477 CA GLY A 93 6.279 -30.081 -4.618 1.00 0.00 C ATOM 1478 C GLY A 93 7.735 -29.980 -5.026 1.00 0.00 C ATOM 1479 O GLY A 93 8.442 -30.982 -5.138 1.00 0.00 O ATOM 0 H GLY A 93 6.352 -29.233 -2.703 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.847 -30.986 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.729 -29.237 -5.034 1.00 0.00 H new ATOM 1483 N PRO A 94 8.205 -28.745 -5.258 1.00 0.00 N ATOM 1484 CA PRO A 94 9.591 -28.488 -5.662 1.00 0.00 C ATOM 1485 C PRO A 94 10.582 -28.759 -4.536 1.00 0.00 C ATOM 1486 O PRO A 94 11.794 -28.764 -4.751 1.00 0.00 O ATOM 1487 CB PRO A 94 9.585 -27.000 -6.023 1.00 0.00 C ATOM 1488 CG PRO A 94 8.461 -26.424 -5.233 1.00 0.00 C ATOM 1489 CD PRO A 94 7.419 -27.505 -5.145 1.00 0.00 C ATOM 0 HA PRO A 94 9.905 -29.138 -6.479 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.533 -26.526 -5.767 1.00 0.00 H new ATOM 0 HB3 PRO A 94 9.434 -26.852 -7.092 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.796 -26.123 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.060 -25.534 -5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.872 -27.460 -4.203 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.684 -27.421 -5.945 1.00 0.00 H new ATOM 1497 N SER A 95 10.059 -28.985 -3.335 1.00 0.00 N ATOM 1498 CA SER A 95 10.899 -29.254 -2.174 1.00 0.00 C ATOM 1499 C SER A 95 11.741 -30.507 -2.391 1.00 0.00 C ATOM 1500 O SER A 95 11.215 -31.618 -2.462 1.00 0.00 O ATOM 1501 CB SER A 95 10.037 -29.416 -0.920 1.00 0.00 C ATOM 1502 OG SER A 95 9.639 -30.765 -0.746 1.00 0.00 O ATOM 0 H SER A 95 9.058 -28.987 -3.141 1.00 0.00 H new ATOM 0 HA SER A 95 11.570 -28.406 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.595 -29.083 -0.045 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.155 -28.780 -0.996 1.00 0.00 H new ATOM 0 HG SER A 95 9.745 -31.249 -1.591 1.00 0.00 H new ATOM 1508 N SER A 96 13.053 -30.321 -2.495 1.00 0.00 N ATOM 1509 CA SER A 96 13.969 -31.435 -2.708 1.00 0.00 C ATOM 1510 C SER A 96 14.880 -31.628 -1.499 1.00 0.00 C ATOM 1511 O SER A 96 14.826 -30.862 -0.538 1.00 0.00 O ATOM 1512 CB SER A 96 14.812 -31.197 -3.962 1.00 0.00 C ATOM 1513 OG SER A 96 14.174 -31.724 -5.113 1.00 0.00 O ATOM 0 H SER A 96 13.505 -29.409 -2.435 1.00 0.00 H new ATOM 0 HA SER A 96 13.376 -32.340 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 96 14.981 -30.128 -4.093 1.00 0.00 H new ATOM 0 HB3 SER A 96 15.790 -31.662 -3.840 1.00 0.00 H new ATOM 0 HG SER A 96 14.732 -31.558 -5.901 1.00 0.00 H new ATOM 1519 N GLY A 97 15.717 -32.660 -1.555 1.00 0.00 N ATOM 1520 CA GLY A 97 16.627 -32.937 -0.459 1.00 0.00 C ATOM 1521 C GLY A 97 17.792 -33.812 -0.881 1.00 0.00 C ATOM 1522 O GLY A 97 18.193 -34.717 -0.150 1.00 0.00 O ATOM 0 H GLY A 97 15.781 -33.309 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 97 17.008 -31.997 -0.060 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.082 -33.427 0.347 1.00 0.00 H new TER 1526 GLY A 97