USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 384 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 Single : A 1 GLY N :NH3+ -136:sc= 0.00733 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 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 40:sc= 0.148 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.094 K(o=-0.094,f=-0.75) USER MOD Single : A 20 SER OG : rot -112:sc= 1.07 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -147:sc= -10.5! (180deg=-12.1!) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.116 K(o=-0.12,f=-1.4) USER MOD Single : A 29 MET CE :methyl 136:sc= -1.24 (180deg=-3.44!) USER MOD Single : A 33 ASN : amide:sc= -2.35 K(o=-2.3,f=-3.4) USER MOD Single : A 34 TYR OH : rot 180:sc= -3.28! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -3.76! C(o=-3.8!,f=-9.7!) USER MOD Single : A 39 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.9!) USER MOD Single : A 44 THR OG1 : rot -19:sc= 0.41 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0939 USER MOD Single : A 49 ASN : amide:sc= -0.0176 K(o=-0.018,f=-0.85) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.138 K(o=-0.14,f=-1.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.036 17.648 -1.243 1.00 0.00 N ATOM 2 CA GLY A 1 12.176 17.118 -0.199 1.00 0.00 C ATOM 3 C GLY A 1 10.700 17.326 -0.546 1.00 0.00 C ATOM 4 O GLY A 1 10.293 17.130 -1.689 1.00 0.00 O ATOM 0 H1 GLY A 1 13.799 16.970 -1.442 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.478 17.805 -2.106 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.448 18.550 -0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.375 16.055 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.403 17.608 0.748 1.00 0.00 H new ATOM 8 N SER A 2 9.938 17.720 0.464 1.00 0.00 N ATOM 9 CA SER A 2 8.517 17.957 0.281 1.00 0.00 C ATOM 10 C SER A 2 8.087 19.200 1.064 1.00 0.00 C ATOM 11 O SER A 2 7.810 19.119 2.259 1.00 0.00 O ATOM 12 CB SER A 2 7.695 16.744 0.720 1.00 0.00 C ATOM 13 OG SER A 2 7.176 16.021 -0.393 1.00 0.00 O ATOM 0 H SER A 2 10.279 17.881 1.412 1.00 0.00 H new ATOM 0 HA SER A 2 8.333 18.123 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.317 16.083 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.872 17.074 1.354 1.00 0.00 H new ATOM 0 HG SER A 2 6.659 15.253 -0.072 1.00 0.00 H new ATOM 18 N SER A 3 8.047 20.321 0.358 1.00 0.00 N ATOM 19 CA SER A 3 7.657 21.578 0.972 1.00 0.00 C ATOM 20 C SER A 3 7.009 22.491 -0.071 1.00 0.00 C ATOM 21 O SER A 3 7.545 22.670 -1.163 1.00 0.00 O ATOM 22 CB SER A 3 8.860 22.275 1.612 1.00 0.00 C ATOM 23 OG SER A 3 8.577 22.718 2.937 1.00 0.00 O ATOM 0 H SER A 3 8.278 20.384 -0.633 1.00 0.00 H new ATOM 0 HA SER A 3 6.934 21.364 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.708 21.590 1.632 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.153 23.128 0.999 1.00 0.00 H new ATOM 0 HG SER A 3 9.370 23.156 3.312 1.00 0.00 H new ATOM 28 N GLY A 4 5.864 23.043 0.303 1.00 0.00 N ATOM 29 CA GLY A 4 5.137 23.933 -0.586 1.00 0.00 C ATOM 30 C GLY A 4 4.133 23.155 -1.440 1.00 0.00 C ATOM 31 O GLY A 4 3.179 22.584 -0.916 1.00 0.00 O ATOM 0 H GLY A 4 5.422 22.891 1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.613 24.689 -0.001 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.839 24.460 -1.233 1.00 0.00 H new ATOM 35 N SER A 5 4.385 23.158 -2.740 1.00 0.00 N ATOM 36 CA SER A 5 3.516 22.459 -3.673 1.00 0.00 C ATOM 37 C SER A 5 3.681 20.947 -3.509 1.00 0.00 C ATOM 38 O SER A 5 4.733 20.395 -3.831 1.00 0.00 O ATOM 39 CB SER A 5 3.809 22.872 -5.115 1.00 0.00 C ATOM 40 OG SER A 5 2.657 23.401 -5.765 1.00 0.00 O ATOM 0 H SER A 5 5.178 23.633 -3.170 1.00 0.00 H new ATOM 0 HA SER A 5 2.485 22.732 -3.449 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.604 23.617 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.175 22.009 -5.672 1.00 0.00 H new ATOM 0 HG SER A 5 2.887 23.654 -6.683 1.00 0.00 H new ATOM 45 N SER A 6 2.627 20.320 -3.008 1.00 0.00 N ATOM 46 CA SER A 6 2.641 18.882 -2.798 1.00 0.00 C ATOM 47 C SER A 6 1.282 18.285 -3.167 1.00 0.00 C ATOM 48 O SER A 6 0.273 18.595 -2.537 1.00 0.00 O ATOM 49 CB SER A 6 2.996 18.541 -1.350 1.00 0.00 C ATOM 50 OG SER A 6 2.198 19.266 -0.419 1.00 0.00 O ATOM 0 H SER A 6 1.757 20.781 -2.741 1.00 0.00 H new ATOM 0 HA SER A 6 3.406 18.450 -3.443 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.862 17.472 -1.186 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.049 18.761 -1.174 1.00 0.00 H new ATOM 0 HG SER A 6 1.275 19.310 -0.744 1.00 0.00 H new ATOM 55 N GLY A 7 1.300 17.438 -4.186 1.00 0.00 N ATOM 56 CA GLY A 7 0.080 16.795 -4.645 1.00 0.00 C ATOM 57 C GLY A 7 0.375 15.808 -5.776 1.00 0.00 C ATOM 58 O GLY A 7 1.534 15.516 -6.065 1.00 0.00 O ATOM 0 H GLY A 7 2.139 17.182 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.394 16.272 -3.815 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.626 17.550 -4.991 1.00 0.00 H new ATOM 62 N PRO A 8 -0.724 15.307 -6.403 1.00 0.00 N ATOM 63 CA PRO A 8 -0.595 14.360 -7.497 1.00 0.00 C ATOM 64 C PRO A 8 -0.141 15.059 -8.779 1.00 0.00 C ATOM 65 O PRO A 8 0.658 14.513 -9.538 1.00 0.00 O ATOM 66 CB PRO A 8 -1.967 13.718 -7.625 1.00 0.00 C ATOM 67 CG PRO A 8 -2.933 14.655 -6.916 1.00 0.00 C ATOM 68 CD PRO A 8 -2.113 15.630 -6.089 1.00 0.00 C ATOM 0 HA PRO A 8 0.169 13.605 -7.311 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.243 13.591 -8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.979 12.727 -7.170 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.546 15.191 -7.641 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.613 14.091 -6.278 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.347 16.663 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.315 15.514 -5.024 1.00 0.00 H new ATOM 73 N SER A 9 -0.668 16.257 -8.981 1.00 0.00 N ATOM 74 CA SER A 9 -0.327 17.037 -10.157 1.00 0.00 C ATOM 75 C SER A 9 1.145 17.451 -10.102 1.00 0.00 C ATOM 76 O SER A 9 1.608 17.975 -9.090 1.00 0.00 O ATOM 77 CB SER A 9 -1.220 18.273 -10.278 1.00 0.00 C ATOM 78 OG SER A 9 -0.827 19.113 -11.359 1.00 0.00 O ATOM 0 H SER A 9 -1.330 16.707 -8.349 1.00 0.00 H new ATOM 0 HA SER A 9 -0.492 16.416 -11.037 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.254 17.960 -10.420 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.183 18.839 -9.347 1.00 0.00 H new ATOM 0 HG SER A 9 -1.423 19.890 -11.403 1.00 0.00 H new ATOM 83 N HIS A 10 1.840 17.200 -11.201 1.00 0.00 N ATOM 84 CA HIS A 10 3.250 17.540 -11.290 1.00 0.00 C ATOM 85 C HIS A 10 4.059 16.622 -10.372 1.00 0.00 C ATOM 86 O HIS A 10 4.272 16.938 -9.203 1.00 0.00 O ATOM 87 CB HIS A 10 3.471 19.024 -10.989 1.00 0.00 C ATOM 88 CG HIS A 10 4.243 19.759 -12.058 1.00 0.00 C ATOM 89 ND1 HIS A 10 5.598 20.022 -11.958 1.00 0.00 N ATOM 90 CD2 HIS A 10 3.836 20.283 -13.250 1.00 0.00 C ATOM 91 CE1 HIS A 10 5.978 20.676 -13.046 1.00 0.00 C ATOM 92 NE2 HIS A 10 4.885 20.837 -13.845 1.00 0.00 N ATOM 0 H HIS A 10 1.453 16.765 -12.038 1.00 0.00 H new ATOM 0 HA HIS A 10 3.603 17.379 -12.309 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.502 19.506 -10.859 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.003 19.117 -10.042 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.830 20.252 -13.643 1.00 0.00 H new ATOM 0 HE1 HIS A 10 6.978 21.021 -13.262 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.875 21.306 -14.751 1.00 0.00 H new ATOM 99 N SER A 11 4.486 15.501 -10.935 1.00 0.00 N ATOM 100 CA SER A 11 5.266 14.535 -10.181 1.00 0.00 C ATOM 101 C SER A 11 5.545 13.301 -11.043 1.00 0.00 C ATOM 102 O SER A 11 6.701 12.944 -11.267 1.00 0.00 O ATOM 103 CB SER A 11 4.546 14.131 -8.893 1.00 0.00 C ATOM 104 OG SER A 11 5.432 14.087 -7.779 1.00 0.00 O ATOM 0 H SER A 11 4.306 15.240 -11.905 1.00 0.00 H new ATOM 0 HA SER A 11 6.213 15.000 -9.905 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.742 14.839 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.083 13.153 -9.027 1.00 0.00 H new ATOM 0 HG SER A 11 4.935 13.827 -6.976 1.00 0.00 H new ATOM 109 N LEU A 12 4.466 12.685 -11.504 1.00 0.00 N ATOM 110 CA LEU A 12 4.581 11.499 -12.335 1.00 0.00 C ATOM 111 C LEU A 12 5.657 10.578 -11.758 1.00 0.00 C ATOM 112 O LEU A 12 6.769 10.512 -12.281 1.00 0.00 O ATOM 113 CB LEU A 12 4.824 11.890 -13.795 1.00 0.00 C ATOM 114 CG LEU A 12 3.577 12.010 -14.673 1.00 0.00 C ATOM 115 CD1 LEU A 12 3.703 13.186 -15.644 1.00 0.00 C ATOM 116 CD2 LEU A 12 3.289 10.696 -15.400 1.00 0.00 C ATOM 0 H LEU A 12 3.509 12.985 -11.318 1.00 0.00 H new ATOM 0 HA LEU A 12 3.646 10.938 -12.330 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.350 12.845 -13.812 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.490 11.152 -14.242 1.00 0.00 H new ATOM 0 HG LEU A 12 2.723 12.214 -14.027 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.804 13.250 -16.257 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.825 14.111 -15.081 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.570 13.036 -16.287 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.398 10.809 -16.017 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.138 10.437 -16.033 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.126 9.904 -14.669 1.00 0.00 H new ATOM 127 N GLN A 13 5.289 9.888 -10.688 1.00 0.00 N ATOM 128 CA GLN A 13 6.210 8.974 -10.034 1.00 0.00 C ATOM 129 C GLN A 13 5.491 7.675 -9.660 1.00 0.00 C ATOM 130 O GLN A 13 4.322 7.697 -9.278 1.00 0.00 O ATOM 131 CB GLN A 13 6.845 9.623 -8.803 1.00 0.00 C ATOM 132 CG GLN A 13 8.166 8.938 -8.443 1.00 0.00 C ATOM 133 CD GLN A 13 9.110 9.909 -7.730 1.00 0.00 C ATOM 134 OE1 GLN A 13 9.240 11.067 -8.092 1.00 0.00 O ATOM 135 NE2 GLN A 13 9.760 9.374 -6.700 1.00 0.00 N ATOM 0 H GLN A 13 4.366 9.944 -10.258 1.00 0.00 H new ATOM 0 HA GLN A 13 7.012 8.735 -10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.020 10.682 -8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 13 6.157 9.562 -7.959 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.971 8.078 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 13 8.642 8.560 -9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.604 8.397 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.414 9.940 -6.160 1.00 0.00 H new ATOM 142 N ALA A 14 6.221 6.576 -9.783 1.00 0.00 N ATOM 143 CA ALA A 14 5.668 5.272 -9.462 1.00 0.00 C ATOM 144 C ALA A 14 4.950 5.345 -8.114 1.00 0.00 C ATOM 145 O ALA A 14 5.296 6.164 -7.265 1.00 0.00 O ATOM 146 CB ALA A 14 6.786 4.227 -9.472 1.00 0.00 C ATOM 0 H ALA A 14 7.190 6.562 -10.100 1.00 0.00 H new ATOM 0 HA ALA A 14 4.934 4.972 -10.210 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.371 3.248 -9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.244 4.194 -10.461 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.540 4.494 -8.731 1.00 0.00 H new ATOM 152 N PRO A 15 3.936 4.452 -7.954 1.00 0.00 N ATOM 153 CA PRO A 15 3.164 4.407 -6.723 1.00 0.00 C ATOM 154 C PRO A 15 3.967 3.749 -5.598 1.00 0.00 C ATOM 155 O PRO A 15 4.334 4.408 -4.626 1.00 0.00 O ATOM 156 CB PRO A 15 1.900 3.641 -7.078 1.00 0.00 C ATOM 157 CG PRO A 15 2.216 2.887 -8.360 1.00 0.00 C ATOM 158 CD PRO A 15 3.497 3.466 -8.939 1.00 0.00 C ATOM 0 HA PRO A 15 2.918 5.399 -6.344 1.00 0.00 H new ATOM 0 HB2 PRO A 15 1.622 2.954 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.059 4.320 -7.221 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.336 1.823 -8.157 1.00 0.00 H new ATOM 0 HG3 PRO A 15 1.397 2.985 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.250 2.692 -9.087 1.00 0.00 H new ATOM 0 HD3 PRO A 15 3.319 3.928 -9.910 1.00 0.00 H new ATOM 163 N GLU A 16 4.213 2.459 -5.767 1.00 0.00 N ATOM 164 CA GLU A 16 4.965 1.705 -4.778 1.00 0.00 C ATOM 165 C GLU A 16 6.136 2.538 -4.252 1.00 0.00 C ATOM 166 O GLU A 16 6.391 2.567 -3.050 1.00 0.00 O ATOM 167 CB GLU A 16 5.454 0.376 -5.357 1.00 0.00 C ATOM 168 CG GLU A 16 6.099 0.580 -6.729 1.00 0.00 C ATOM 169 CD GLU A 16 7.610 0.346 -6.666 1.00 0.00 C ATOM 170 OE1 GLU A 16 8.194 0.700 -5.620 1.00 0.00 O ATOM 171 OE2 GLU A 16 8.144 -0.181 -7.665 1.00 0.00 O ATOM 0 H GLU A 16 3.905 1.916 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 16 4.302 1.478 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.174 -0.078 -4.677 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.617 -0.317 -5.444 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.651 -0.104 -7.450 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.899 1.592 -7.082 1.00 0.00 H new ATOM 176 N VAL A 17 6.816 3.196 -5.180 1.00 0.00 N ATOM 177 CA VAL A 17 7.953 4.027 -4.825 1.00 0.00 C ATOM 178 C VAL A 17 7.474 5.203 -3.972 1.00 0.00 C ATOM 179 O VAL A 17 8.080 5.522 -2.951 1.00 0.00 O ATOM 180 CB VAL A 17 8.693 4.468 -6.089 1.00 0.00 C ATOM 181 CG1 VAL A 17 9.695 5.582 -5.778 1.00 0.00 C ATOM 182 CG2 VAL A 17 9.384 3.281 -6.763 1.00 0.00 C ATOM 0 H VAL A 17 6.601 3.170 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 17 8.667 3.461 -4.226 1.00 0.00 H new ATOM 0 HB VAL A 17 7.956 4.866 -6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.207 5.877 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.167 6.441 -5.365 1.00 0.00 H new ATOM 0 HG13 VAL A 17 10.426 5.222 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.902 3.623 -7.659 1.00 0.00 H new ATOM 0 HG22 VAL A 17 10.104 2.839 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.639 2.534 -7.037 1.00 0.00 H new ATOM 192 N ARG A 18 6.389 5.817 -4.424 1.00 0.00 N ATOM 193 CA ARG A 18 5.820 6.950 -3.714 1.00 0.00 C ATOM 194 C ARG A 18 5.299 6.512 -2.345 1.00 0.00 C ATOM 195 O ARG A 18 5.491 7.210 -1.350 1.00 0.00 O ATOM 196 CB ARG A 18 4.676 7.580 -4.510 1.00 0.00 C ATOM 197 CG ARG A 18 4.477 9.046 -4.117 1.00 0.00 C ATOM 198 CD ARG A 18 3.134 9.573 -4.628 1.00 0.00 C ATOM 199 NE ARG A 18 2.944 10.975 -4.197 1.00 0.00 N ATOM 200 CZ ARG A 18 1.870 11.717 -4.503 1.00 0.00 C ATOM 201 NH1 ARG A 18 0.885 11.194 -5.244 1.00 0.00 N ATOM 202 NH2 ARG A 18 1.783 12.981 -4.068 1.00 0.00 N ATOM 0 H ARG A 18 5.890 5.551 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 18 6.609 7.691 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.889 7.511 -5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.755 7.024 -4.333 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.522 9.145 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.288 9.649 -4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.099 9.510 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.322 8.953 -4.247 1.00 0.00 H new ATOM 0 HE ARG A 18 3.676 11.404 -3.631 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.952 10.232 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.068 11.758 -5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.534 13.379 -3.504 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.966 13.545 -4.301 1.00 0.00 H new ATOM 213 N PHE A 19 4.649 5.357 -2.336 1.00 0.00 N ATOM 214 CA PHE A 19 4.097 4.818 -1.104 1.00 0.00 C ATOM 215 C PHE A 19 4.916 3.622 -0.615 1.00 0.00 C ATOM 216 O PHE A 19 4.356 2.627 -0.158 1.00 0.00 O ATOM 217 CB PHE A 19 2.674 4.353 -1.417 1.00 0.00 C ATOM 218 CG PHE A 19 1.872 5.336 -2.273 1.00 0.00 C ATOM 219 CD1 PHE A 19 1.521 6.548 -1.768 1.00 0.00 C ATOM 220 CD2 PHE A 19 1.511 4.996 -3.540 1.00 0.00 C ATOM 221 CE1 PHE A 19 0.776 7.460 -2.562 1.00 0.00 C ATOM 222 CE2 PHE A 19 0.766 5.908 -4.334 1.00 0.00 C ATOM 223 CZ PHE A 19 0.415 7.120 -3.830 1.00 0.00 C ATOM 0 H PHE A 19 4.492 4.780 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 19 4.113 5.579 -0.324 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.721 3.393 -1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.143 4.186 -0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.809 6.818 -0.763 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.791 4.033 -3.942 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.496 8.423 -2.160 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.478 5.638 -5.339 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.150 7.813 -4.435 1.00 0.00 H new ATOM 232 N SER A 20 6.229 3.759 -0.726 1.00 0.00 N ATOM 233 CA SER A 20 7.131 2.702 -0.301 1.00 0.00 C ATOM 234 C SER A 20 7.229 2.681 1.226 1.00 0.00 C ATOM 235 O SER A 20 6.979 1.652 1.853 1.00 0.00 O ATOM 236 CB SER A 20 8.519 2.880 -0.919 1.00 0.00 C ATOM 237 OG SER A 20 8.874 4.255 -1.047 1.00 0.00 O ATOM 0 H SER A 20 6.690 4.586 -1.104 1.00 0.00 H new ATOM 0 HA SER A 20 6.729 1.750 -0.647 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.259 2.370 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.542 2.407 -1.901 1.00 0.00 H new ATOM 0 HG SER A 20 8.904 4.498 -1.996 1.00 0.00 H new ATOM 242 N LYS A 21 7.592 3.828 1.780 1.00 0.00 N ATOM 243 CA LYS A 21 7.725 3.954 3.221 1.00 0.00 C ATOM 244 C LYS A 21 6.536 3.273 3.901 1.00 0.00 C ATOM 245 O LYS A 21 6.647 2.804 5.032 1.00 0.00 O ATOM 246 CB LYS A 21 7.902 5.421 3.617 1.00 0.00 C ATOM 247 CG LYS A 21 9.379 5.818 3.606 1.00 0.00 C ATOM 248 CD LYS A 21 9.795 6.348 2.233 1.00 0.00 C ATOM 249 CE LYS A 21 11.257 6.801 2.238 1.00 0.00 C ATOM 250 NZ LYS A 21 11.568 7.563 1.009 1.00 0.00 N ATOM 0 H LYS A 21 7.798 4.679 1.257 1.00 0.00 H new ATOM 0 HA LYS A 21 8.625 3.444 3.566 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.346 6.057 2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.485 5.586 4.610 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.560 6.580 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.993 4.956 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.654 5.571 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.153 7.183 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.449 7.420 3.115 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.912 5.933 2.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.564 7.863 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.404 6.961 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.955 8.402 0.956 1.00 0.00 H new ATOM 260 N GLU A 22 5.423 3.239 3.181 1.00 0.00 N ATOM 261 CA GLU A 22 4.214 2.624 3.700 1.00 0.00 C ATOM 262 C GLU A 22 4.268 1.106 3.513 1.00 0.00 C ATOM 263 O GLU A 22 4.113 0.352 4.472 1.00 0.00 O ATOM 264 CB GLU A 22 2.969 3.214 3.036 1.00 0.00 C ATOM 265 CG GLU A 22 2.804 4.692 3.397 1.00 0.00 C ATOM 266 CD GLU A 22 3.422 5.590 2.324 1.00 0.00 C ATOM 267 OE1 GLU A 22 4.670 5.609 2.250 1.00 0.00 O ATOM 268 OE2 GLU A 22 2.633 6.239 1.603 1.00 0.00 O ATOM 0 H GLU A 22 5.334 3.628 2.242 1.00 0.00 H new ATOM 0 HA GLU A 22 4.151 2.837 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.044 3.106 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.086 2.658 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.745 4.927 3.508 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.277 4.890 4.359 1.00 0.00 H new ATOM 273 N MET A 23 4.490 0.704 2.270 1.00 0.00 N ATOM 274 CA MET A 23 4.566 -0.710 1.944 1.00 0.00 C ATOM 275 C MET A 23 5.463 -1.454 2.936 1.00 0.00 C ATOM 276 O MET A 23 5.181 -2.595 3.298 1.00 0.00 O ATOM 277 CB MET A 23 5.122 -0.878 0.528 1.00 0.00 C ATOM 278 CG MET A 23 4.070 -0.516 -0.521 1.00 0.00 C ATOM 279 SD MET A 23 2.653 -1.590 -0.361 1.00 0.00 S ATOM 280 CE MET A 23 3.087 -2.854 -1.544 1.00 0.00 C ATOM 0 H MET A 23 4.620 1.332 1.477 1.00 0.00 H new ATOM 0 HA MET A 23 3.563 -1.132 2.003 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.000 -0.245 0.401 1.00 0.00 H new ATOM 0 HB3 MET A 23 5.448 -1.908 0.381 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.765 0.523 -0.398 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.495 -0.607 -1.521 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.181 -3.244 -2.009 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.734 -2.428 -2.311 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.611 -3.663 -1.036 1.00 0.00 H new ATOM 288 N GLU A 24 6.525 -0.776 3.348 1.00 0.00 N ATOM 289 CA GLU A 24 7.464 -1.359 4.292 1.00 0.00 C ATOM 290 C GLU A 24 6.789 -1.571 5.649 1.00 0.00 C ATOM 291 O GLU A 24 6.967 -2.613 6.278 1.00 0.00 O ATOM 292 CB GLU A 24 8.713 -0.487 4.430 1.00 0.00 C ATOM 293 CG GLU A 24 9.898 -1.103 3.683 1.00 0.00 C ATOM 294 CD GLU A 24 10.989 -1.549 4.658 1.00 0.00 C ATOM 295 OE1 GLU A 24 10.616 -1.966 5.776 1.00 0.00 O ATOM 296 OE2 GLU A 24 12.172 -1.462 4.263 1.00 0.00 O ATOM 0 H GLU A 24 6.756 0.170 3.046 1.00 0.00 H new ATOM 0 HA GLU A 24 7.779 -2.330 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.510 0.510 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.964 -0.370 5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.559 -1.957 3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.307 -0.376 2.981 1.00 0.00 H new ATOM 301 N CYS A 25 6.030 -0.567 6.060 1.00 0.00 N ATOM 302 CA CYS A 25 5.328 -0.631 7.331 1.00 0.00 C ATOM 303 C CYS A 25 4.259 -1.720 7.236 1.00 0.00 C ATOM 304 O CYS A 25 4.136 -2.554 8.131 1.00 0.00 O ATOM 305 CB CYS A 25 4.730 0.724 7.716 1.00 0.00 C ATOM 306 SG CYS A 25 4.920 1.004 9.514 1.00 0.00 S ATOM 0 H CYS A 25 5.885 0.296 5.536 1.00 0.00 H new ATOM 0 HA CYS A 25 6.031 -0.883 8.125 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.226 1.520 7.161 1.00 0.00 H new ATOM 0 HB3 CYS A 25 3.675 0.756 7.444 1.00 0.00 H new ATOM 0 HG CYS A 25 4.411 2.158 9.830 1.00 0.00 H new ATOM 311 N LEU A 26 3.513 -1.679 6.141 1.00 0.00 N ATOM 312 CA LEU A 26 2.458 -2.652 5.917 1.00 0.00 C ATOM 313 C LEU A 26 3.021 -4.061 6.112 1.00 0.00 C ATOM 314 O LEU A 26 2.455 -4.862 6.854 1.00 0.00 O ATOM 315 CB LEU A 26 1.808 -2.433 4.550 1.00 0.00 C ATOM 316 CG LEU A 26 1.003 -1.141 4.390 1.00 0.00 C ATOM 317 CD1 LEU A 26 0.697 -0.866 2.916 1.00 0.00 C ATOM 318 CD2 LEU A 26 -0.267 -1.177 5.241 1.00 0.00 C ATOM 0 H LEU A 26 3.619 -0.987 5.399 1.00 0.00 H new ATOM 0 HA LEU A 26 1.659 -2.523 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.590 -2.447 3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.149 -3.276 4.344 1.00 0.00 H new ATOM 0 HG LEU A 26 1.611 -0.312 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.124 0.057 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.631 -0.767 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.117 -1.692 2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.820 -0.247 5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.889 -2.017 4.931 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.002 -1.293 6.291 1.00 0.00 H new ATOM 329 N GLN A 27 4.127 -4.321 5.430 1.00 0.00 N ATOM 330 CA GLN A 27 4.773 -5.620 5.518 1.00 0.00 C ATOM 331 C GLN A 27 5.004 -5.999 6.982 1.00 0.00 C ATOM 332 O GLN A 27 4.573 -7.061 7.427 1.00 0.00 O ATOM 333 CB GLN A 27 6.087 -5.634 4.734 1.00 0.00 C ATOM 334 CG GLN A 27 6.021 -6.627 3.572 1.00 0.00 C ATOM 335 CD GLN A 27 6.693 -7.951 3.944 1.00 0.00 C ATOM 336 OE1 GLN A 27 6.886 -8.274 5.105 1.00 0.00 O ATOM 337 NE2 GLN A 27 7.035 -8.697 2.899 1.00 0.00 N ATOM 0 H GLN A 27 4.592 -3.654 4.814 1.00 0.00 H new ATOM 0 HA GLN A 27 4.113 -6.363 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.297 -4.635 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.909 -5.901 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.981 -6.807 3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 27 6.510 -6.200 2.696 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.845 -8.367 1.953 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.488 -9.599 3.043 1.00 0.00 H new ATOM 344 N ALA A 28 5.686 -5.110 7.690 1.00 0.00 N ATOM 345 CA ALA A 28 5.979 -5.339 9.094 1.00 0.00 C ATOM 346 C ALA A 28 4.735 -5.898 9.788 1.00 0.00 C ATOM 347 O ALA A 28 4.801 -6.933 10.450 1.00 0.00 O ATOM 348 CB ALA A 28 6.466 -4.036 9.733 1.00 0.00 C ATOM 0 H ALA A 28 6.044 -4.230 7.317 1.00 0.00 H new ATOM 0 HA ALA A 28 6.776 -6.075 9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.686 -4.208 10.787 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.368 -3.696 9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.691 -3.275 9.643 1.00 0.00 H new ATOM 354 N MET A 29 3.629 -5.191 9.610 1.00 0.00 N ATOM 355 CA MET A 29 2.372 -5.603 10.210 1.00 0.00 C ATOM 356 C MET A 29 2.009 -7.030 9.793 1.00 0.00 C ATOM 357 O MET A 29 1.428 -7.780 10.577 1.00 0.00 O ATOM 358 CB MET A 29 1.260 -4.646 9.775 1.00 0.00 C ATOM 359 CG MET A 29 1.408 -3.287 10.463 1.00 0.00 C ATOM 360 SD MET A 29 1.346 -1.979 9.250 1.00 0.00 S ATOM 361 CE MET A 29 -0.287 -1.333 9.574 1.00 0.00 C ATOM 0 H MET A 29 3.577 -4.335 9.058 1.00 0.00 H new ATOM 0 HA MET A 29 2.482 -5.577 11.294 1.00 0.00 H new ATOM 0 HB2 MET A 29 1.290 -4.515 8.693 1.00 0.00 H new ATOM 0 HB3 MET A 29 0.289 -5.077 10.017 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.612 -3.153 11.196 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.352 -3.246 11.006 1.00 0.00 H new ATOM 0 HE1 MET A 29 -0.252 -0.244 9.583 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.972 -1.668 8.795 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.635 -1.693 10.542 1.00 0.00 H new ATOM 369 N GLY A 30 2.365 -7.362 8.561 1.00 0.00 N ATOM 370 CA GLY A 30 2.084 -8.686 8.032 1.00 0.00 C ATOM 371 C GLY A 30 1.477 -8.598 6.629 1.00 0.00 C ATOM 372 O GLY A 30 1.398 -9.599 5.920 1.00 0.00 O ATOM 0 H GLY A 30 2.846 -6.737 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.003 -9.271 7.999 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.397 -9.209 8.697 1.00 0.00 H new ATOM 376 N PHE A 31 1.063 -7.390 6.273 1.00 0.00 N ATOM 377 CA PHE A 31 0.466 -7.158 4.969 1.00 0.00 C ATOM 378 C PHE A 31 1.500 -7.321 3.855 1.00 0.00 C ATOM 379 O PHE A 31 1.940 -6.336 3.263 1.00 0.00 O ATOM 380 CB PHE A 31 -0.051 -5.718 4.964 1.00 0.00 C ATOM 381 CG PHE A 31 -1.194 -5.463 5.949 1.00 0.00 C ATOM 382 CD1 PHE A 31 -2.385 -6.100 5.788 1.00 0.00 C ATOM 383 CD2 PHE A 31 -1.020 -4.600 6.985 1.00 0.00 C ATOM 384 CE1 PHE A 31 -3.446 -5.863 6.702 1.00 0.00 C ATOM 385 CE2 PHE A 31 -2.081 -4.364 7.900 1.00 0.00 C ATOM 386 CZ PHE A 31 -3.272 -5.000 7.738 1.00 0.00 C ATOM 0 H PHE A 31 1.129 -6.562 6.865 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.333 -7.878 4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.774 -5.046 5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.389 -5.468 3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.524 -6.786 4.965 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.075 -4.094 7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.392 -6.369 6.574 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.942 -3.680 8.724 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.079 -4.820 8.432 1.00 0.00 H new ATOM 395 N VAL A 32 1.860 -8.570 3.603 1.00 0.00 N ATOM 396 CA VAL A 32 2.836 -8.874 2.570 1.00 0.00 C ATOM 397 C VAL A 32 2.239 -8.549 1.199 1.00 0.00 C ATOM 398 O VAL A 32 2.947 -8.095 0.301 1.00 0.00 O ATOM 399 CB VAL A 32 3.293 -10.329 2.693 1.00 0.00 C ATOM 400 CG1 VAL A 32 3.890 -10.600 4.075 1.00 0.00 C ATOM 401 CG2 VAL A 32 2.143 -11.292 2.394 1.00 0.00 C ATOM 0 H VAL A 32 1.494 -9.384 4.096 1.00 0.00 H new ATOM 0 HA VAL A 32 3.726 -8.257 2.692 1.00 0.00 H new ATOM 0 HB VAL A 32 4.073 -10.499 1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.207 -11.641 4.137 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.750 -9.949 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.139 -10.403 4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.495 -12.319 2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.331 -11.120 3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.782 -11.124 1.379 1.00 0.00 H new ATOM 411 N ASN A 33 0.942 -8.795 1.081 1.00 0.00 N ATOM 412 CA ASN A 33 0.242 -8.535 -0.166 1.00 0.00 C ATOM 413 C ASN A 33 0.682 -7.178 -0.719 1.00 0.00 C ATOM 414 O ASN A 33 0.166 -6.139 -0.310 1.00 0.00 O ATOM 415 CB ASN A 33 -1.272 -8.486 0.053 1.00 0.00 C ATOM 416 CG ASN A 33 -2.013 -9.171 -1.096 1.00 0.00 C ATOM 417 OD1 ASN A 33 -1.708 -8.989 -2.264 1.00 0.00 O ATOM 418 ND2 ASN A 33 -3.002 -9.970 -0.702 1.00 0.00 N ATOM 0 H ASN A 33 0.358 -9.171 1.828 1.00 0.00 H new ATOM 0 HA ASN A 33 0.481 -9.340 -0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.523 -8.974 0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.598 -7.449 0.134 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.557 -10.474 -1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.205 -10.078 0.292 1.00 0.00 H new ATOM 424 N TYR A 34 1.633 -7.231 -1.641 1.00 0.00 N ATOM 425 CA TYR A 34 2.149 -6.019 -2.255 1.00 0.00 C ATOM 426 C TYR A 34 1.154 -5.451 -3.269 1.00 0.00 C ATOM 427 O TYR A 34 0.613 -4.364 -3.070 1.00 0.00 O ATOM 428 CB TYR A 34 3.427 -6.429 -2.988 1.00 0.00 C ATOM 429 CG TYR A 34 4.145 -5.271 -3.683 1.00 0.00 C ATOM 430 CD1 TYR A 34 4.948 -4.419 -2.953 1.00 0.00 C ATOM 431 CD2 TYR A 34 3.989 -5.078 -5.042 1.00 0.00 C ATOM 432 CE1 TYR A 34 5.623 -3.329 -3.607 1.00 0.00 C ATOM 433 CE2 TYR A 34 4.665 -3.988 -5.695 1.00 0.00 C ATOM 434 CZ TYR A 34 5.448 -3.166 -4.946 1.00 0.00 C ATOM 435 OH TYR A 34 6.086 -2.137 -5.564 1.00 0.00 O ATOM 0 H TYR A 34 2.059 -8.094 -1.977 1.00 0.00 H new ATOM 0 HA TYR A 34 2.327 -5.253 -1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.110 -6.891 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.180 -7.188 -3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.070 -4.570 -1.891 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.360 -5.744 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.255 -2.655 -3.047 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.553 -3.826 -6.757 1.00 0.00 H new ATOM 0 HH TYR A 34 5.869 -2.144 -6.520 1.00 0.00 H new ATOM 444 N ASN A 35 0.942 -6.213 -4.332 1.00 0.00 N ATOM 445 CA ASN A 35 0.020 -5.798 -5.377 1.00 0.00 C ATOM 446 C ASN A 35 -1.241 -5.215 -4.737 1.00 0.00 C ATOM 447 O ASN A 35 -1.681 -4.127 -5.105 1.00 0.00 O ATOM 448 CB ASN A 35 -0.397 -6.987 -6.245 1.00 0.00 C ATOM 449 CG ASN A 35 0.006 -6.767 -7.706 1.00 0.00 C ATOM 450 OD1 ASN A 35 1.095 -7.111 -8.134 1.00 0.00 O ATOM 451 ND2 ASN A 35 -0.931 -6.175 -8.441 1.00 0.00 N ATOM 0 H ASN A 35 1.392 -7.114 -4.493 1.00 0.00 H new ATOM 0 HA ASN A 35 0.524 -5.056 -5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 35 0.069 -7.898 -5.869 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.476 -7.130 -6.179 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.759 -5.983 -9.428 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.821 -5.913 -8.018 1.00 0.00 H new ATOM 457 N ALA A 36 -1.787 -5.964 -3.790 1.00 0.00 N ATOM 458 CA ALA A 36 -2.988 -5.534 -3.096 1.00 0.00 C ATOM 459 C ALA A 36 -2.718 -4.203 -2.393 1.00 0.00 C ATOM 460 O ALA A 36 -3.299 -3.179 -2.750 1.00 0.00 O ATOM 461 CB ALA A 36 -3.434 -6.627 -2.123 1.00 0.00 C ATOM 0 H ALA A 36 -1.419 -6.866 -3.487 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.802 -5.374 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.335 -6.305 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.642 -7.543 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.642 -6.813 -1.397 1.00 0.00 H new ATOM 467 N ASN A 37 -1.835 -4.260 -1.406 1.00 0.00 N ATOM 468 CA ASN A 37 -1.480 -3.070 -0.651 1.00 0.00 C ATOM 469 C ASN A 37 -1.354 -1.883 -1.606 1.00 0.00 C ATOM 470 O ASN A 37 -2.052 -0.883 -1.455 1.00 0.00 O ATOM 471 CB ASN A 37 -0.138 -3.250 0.061 1.00 0.00 C ATOM 472 CG ASN A 37 -0.286 -4.146 1.293 1.00 0.00 C ATOM 473 OD1 ASN A 37 -1.352 -4.275 1.874 1.00 0.00 O ATOM 474 ND2 ASN A 37 0.838 -4.754 1.659 1.00 0.00 N ATOM 0 H ASN A 37 -1.355 -5.111 -1.112 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.260 -2.895 0.090 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.586 -3.687 -0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 37 0.253 -2.277 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.843 -5.372 2.470 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.696 -4.602 1.129 1.00 0.00 H new ATOM 480 N LEU A 38 -0.455 -2.032 -2.568 1.00 0.00 N ATOM 481 CA LEU A 38 -0.227 -0.985 -3.549 1.00 0.00 C ATOM 482 C LEU A 38 -1.569 -0.374 -3.959 1.00 0.00 C ATOM 483 O LEU A 38 -1.839 0.792 -3.673 1.00 0.00 O ATOM 484 CB LEU A 38 0.589 -1.520 -4.726 1.00 0.00 C ATOM 485 CG LEU A 38 1.853 -0.732 -5.080 1.00 0.00 C ATOM 486 CD1 LEU A 38 2.624 -1.413 -6.213 1.00 0.00 C ATOM 487 CD2 LEU A 38 1.517 0.723 -5.409 1.00 0.00 C ATOM 0 H LEU A 38 0.124 -2.863 -2.689 1.00 0.00 H new ATOM 0 HA LEU A 38 0.370 -0.183 -3.116 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.876 -2.548 -4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.055 -1.550 -5.605 1.00 0.00 H new ATOM 0 HG LEU A 38 2.506 -0.722 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.517 -0.833 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.913 -2.417 -5.904 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.991 -1.474 -7.098 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.432 1.261 -5.657 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.835 0.756 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.044 1.191 -4.546 1.00 0.00 H new ATOM 498 N GLN A 39 -2.376 -1.190 -4.622 1.00 0.00 N ATOM 499 CA GLN A 39 -3.683 -0.745 -5.074 1.00 0.00 C ATOM 500 C GLN A 39 -4.341 0.135 -4.009 1.00 0.00 C ATOM 501 O GLN A 39 -4.728 1.269 -4.289 1.00 0.00 O ATOM 502 CB GLN A 39 -4.575 -1.937 -5.428 1.00 0.00 C ATOM 503 CG GLN A 39 -4.210 -2.508 -6.799 1.00 0.00 C ATOM 504 CD GLN A 39 -5.466 -2.848 -7.604 1.00 0.00 C ATOM 505 OE1 GLN A 39 -6.585 -2.565 -7.206 1.00 0.00 O ATOM 506 NE2 GLN A 39 -5.220 -3.468 -8.754 1.00 0.00 N ATOM 0 H GLN A 39 -2.150 -2.156 -4.857 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.551 -0.151 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.471 -2.712 -4.668 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.620 -1.627 -5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.606 -1.786 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.601 -3.403 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.259 -3.675 -9.027 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.992 -3.737 -9.364 1.00 0.00 H new ATOM 513 N ALA A 40 -4.449 -0.420 -2.811 1.00 0.00 N ATOM 514 CA ALA A 40 -5.053 0.302 -1.704 1.00 0.00 C ATOM 515 C ALA A 40 -4.372 1.663 -1.555 1.00 0.00 C ATOM 516 O ALA A 40 -5.031 2.700 -1.607 1.00 0.00 O ATOM 517 CB ALA A 40 -4.956 -0.542 -0.431 1.00 0.00 C ATOM 0 H ALA A 40 -4.129 -1.361 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.111 0.483 -1.896 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.409 -0.001 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.481 -1.485 -0.579 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.908 -0.742 -0.206 1.00 0.00 H new ATOM 523 N LEU A 41 -3.060 1.616 -1.374 1.00 0.00 N ATOM 524 CA LEU A 41 -2.283 2.833 -1.217 1.00 0.00 C ATOM 525 C LEU A 41 -2.737 3.861 -2.256 1.00 0.00 C ATOM 526 O LEU A 41 -3.159 4.961 -1.902 1.00 0.00 O ATOM 527 CB LEU A 41 -0.785 2.523 -1.273 1.00 0.00 C ATOM 528 CG LEU A 41 -0.160 1.998 0.022 1.00 0.00 C ATOM 529 CD1 LEU A 41 1.177 1.310 -0.255 1.00 0.00 C ATOM 530 CD2 LEU A 41 -0.026 3.116 1.058 1.00 0.00 C ATOM 0 H LEU A 41 -2.516 0.754 -1.333 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.458 3.273 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.615 1.787 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.257 3.430 -1.566 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.827 1.246 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.600 0.946 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.021 0.471 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.865 2.022 -0.711 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.421 2.717 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.609 3.907 0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.012 3.522 1.285 1.00 0.00 H new ATOM 541 N ILE A 42 -2.634 3.466 -3.516 1.00 0.00 N ATOM 542 CA ILE A 42 -3.029 4.339 -4.608 1.00 0.00 C ATOM 543 C ILE A 42 -4.494 4.743 -4.428 1.00 0.00 C ATOM 544 O ILE A 42 -4.882 5.857 -4.778 1.00 0.00 O ATOM 545 CB ILE A 42 -2.735 3.678 -5.956 1.00 0.00 C ATOM 546 CG1 ILE A 42 -1.227 3.530 -6.176 1.00 0.00 C ATOM 547 CG2 ILE A 42 -3.409 4.440 -7.099 1.00 0.00 C ATOM 548 CD1 ILE A 42 -0.933 2.550 -7.313 1.00 0.00 C ATOM 0 H ILE A 42 -2.283 2.553 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.441 5.256 -4.594 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.159 2.674 -5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.792 4.502 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.754 3.180 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.184 3.949 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.488 4.450 -6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.036 5.464 -7.123 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.145 2.463 -7.449 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.348 1.572 -7.067 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.386 2.915 -8.235 1.00 0.00 H new ATOM 559 N ALA A 43 -5.268 3.816 -3.883 1.00 0.00 N ATOM 560 CA ALA A 43 -6.682 4.061 -3.653 1.00 0.00 C ATOM 561 C ALA A 43 -6.839 5.152 -2.592 1.00 0.00 C ATOM 562 O ALA A 43 -7.849 5.854 -2.563 1.00 0.00 O ATOM 563 CB ALA A 43 -7.367 2.753 -3.252 1.00 0.00 C ATOM 0 H ALA A 43 -4.943 2.894 -3.594 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.165 4.416 -4.564 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.428 2.936 -3.079 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.250 2.021 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.912 2.369 -2.339 1.00 0.00 H new ATOM 569 N THR A 44 -5.826 5.260 -1.745 1.00 0.00 N ATOM 570 CA THR A 44 -5.839 6.254 -0.686 1.00 0.00 C ATOM 571 C THR A 44 -4.740 7.293 -0.915 1.00 0.00 C ATOM 572 O THR A 44 -4.449 8.099 -0.032 1.00 0.00 O ATOM 573 CB THR A 44 -5.712 5.521 0.652 1.00 0.00 C ATOM 574 OG1 THR A 44 -4.376 5.025 0.650 1.00 0.00 O ATOM 575 CG2 THR A 44 -6.578 4.261 0.713 1.00 0.00 C ATOM 0 H THR A 44 -4.991 4.675 -1.771 1.00 0.00 H new ATOM 0 HA THR A 44 -6.775 6.813 -0.680 1.00 0.00 H new ATOM 0 HB THR A 44 -5.992 6.193 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 44 -4.031 5.018 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.451 3.779 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.625 4.532 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.276 3.573 -0.077 1.00 0.00 H new ATOM 583 N ASP A 45 -4.160 7.242 -2.105 1.00 0.00 N ATOM 584 CA ASP A 45 -3.100 8.169 -2.461 1.00 0.00 C ATOM 585 C ASP A 45 -2.086 8.242 -1.318 1.00 0.00 C ATOM 586 O ASP A 45 -1.792 9.325 -0.813 1.00 0.00 O ATOM 587 CB ASP A 45 -3.654 9.576 -2.694 1.00 0.00 C ATOM 588 CG ASP A 45 -2.927 10.389 -3.767 1.00 0.00 C ATOM 589 OD1 ASP A 45 -3.159 10.089 -4.959 1.00 0.00 O ATOM 590 OD2 ASP A 45 -2.157 11.289 -3.372 1.00 0.00 O ATOM 0 H ASP A 45 -4.404 6.573 -2.835 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.632 7.810 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.705 9.495 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.614 10.126 -1.754 1.00 0.00 H new ATOM 594 N GLY A 46 -1.579 7.077 -0.944 1.00 0.00 N ATOM 595 CA GLY A 46 -0.605 6.995 0.132 1.00 0.00 C ATOM 596 C GLY A 46 -1.269 7.216 1.492 1.00 0.00 C ATOM 597 O GLY A 46 -1.148 8.290 2.080 1.00 0.00 O ATOM 0 H GLY A 46 -1.824 6.182 -1.367 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.120 6.019 0.115 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.175 7.741 -0.021 1.00 0.00 H new ATOM 601 N ASP A 47 -1.958 6.182 1.953 1.00 0.00 N ATOM 602 CA ASP A 47 -2.641 6.250 3.233 1.00 0.00 C ATOM 603 C ASP A 47 -2.681 4.855 3.861 1.00 0.00 C ATOM 604 O ASP A 47 -3.524 4.033 3.503 1.00 0.00 O ATOM 605 CB ASP A 47 -4.083 6.732 3.063 1.00 0.00 C ATOM 606 CG ASP A 47 -4.505 7.857 4.010 1.00 0.00 C ATOM 607 OD1 ASP A 47 -4.473 7.610 5.235 1.00 0.00 O ATOM 608 OD2 ASP A 47 -4.851 8.939 3.488 1.00 0.00 O ATOM 0 H ASP A 47 -2.058 5.293 1.463 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.098 6.951 3.867 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.218 7.072 2.036 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.753 5.885 3.209 1.00 0.00 H new ATOM 612 N THR A 48 -1.757 4.629 4.783 1.00 0.00 N ATOM 613 CA THR A 48 -1.676 3.348 5.463 1.00 0.00 C ATOM 614 C THR A 48 -2.977 3.058 6.214 1.00 0.00 C ATOM 615 O THR A 48 -3.668 2.087 5.911 1.00 0.00 O ATOM 616 CB THR A 48 -0.443 3.371 6.369 1.00 0.00 C ATOM 617 OG1 THR A 48 -0.480 4.662 6.972 1.00 0.00 O ATOM 618 CG2 THR A 48 0.866 3.367 5.579 1.00 0.00 C ATOM 0 H THR A 48 -1.058 5.312 5.075 1.00 0.00 H new ATOM 0 HA THR A 48 -1.560 2.530 4.752 1.00 0.00 H new ATOM 0 HB THR A 48 -0.467 2.508 7.035 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.284 4.762 7.578 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.708 3.384 6.271 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.918 2.467 4.966 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.906 4.247 4.937 1.00 0.00 H new ATOM 626 N ASN A 49 -3.271 3.919 7.177 1.00 0.00 N ATOM 627 CA ASN A 49 -4.477 3.767 7.973 1.00 0.00 C ATOM 628 C ASN A 49 -5.636 3.360 7.062 1.00 0.00 C ATOM 629 O ASN A 49 -6.152 2.247 7.167 1.00 0.00 O ATOM 630 CB ASN A 49 -4.854 5.082 8.657 1.00 0.00 C ATOM 631 CG ASN A 49 -4.186 5.197 10.030 1.00 0.00 C ATOM 632 OD1 ASN A 49 -3.226 4.513 10.341 1.00 0.00 O ATOM 633 ND2 ASN A 49 -4.747 6.100 10.829 1.00 0.00 N ATOM 0 H ASN A 49 -2.695 4.724 7.424 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.287 3.007 8.731 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.553 5.921 8.030 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.937 5.140 8.769 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.374 6.253 11.766 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.550 6.639 10.505 1.00 0.00 H new ATOM 639 N ALA A 50 -6.013 4.281 6.188 1.00 0.00 N ATOM 640 CA ALA A 50 -7.101 4.032 5.259 1.00 0.00 C ATOM 641 C ALA A 50 -6.859 2.702 4.541 1.00 0.00 C ATOM 642 O ALA A 50 -7.731 1.834 4.523 1.00 0.00 O ATOM 643 CB ALA A 50 -7.223 5.205 4.286 1.00 0.00 C ATOM 0 H ALA A 50 -5.583 5.202 6.104 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.048 3.952 5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.040 5.017 3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.425 6.120 4.843 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.291 5.316 3.731 1.00 0.00 H new ATOM 649 N ALA A 51 -5.671 2.584 3.968 1.00 0.00 N ATOM 650 CA ALA A 51 -5.302 1.375 3.251 1.00 0.00 C ATOM 651 C ALA A 51 -5.667 0.154 4.099 1.00 0.00 C ATOM 652 O ALA A 51 -6.387 -0.732 3.639 1.00 0.00 O ATOM 653 CB ALA A 51 -3.814 1.420 2.903 1.00 0.00 C ATOM 0 H ALA A 51 -4.951 3.306 3.985 1.00 0.00 H new ATOM 0 HA ALA A 51 -5.852 1.302 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.538 0.513 2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.613 2.289 2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.228 1.491 3.819 1.00 0.00 H new ATOM 659 N ILE A 52 -5.152 0.145 5.319 1.00 0.00 N ATOM 660 CA ILE A 52 -5.414 -0.953 6.234 1.00 0.00 C ATOM 661 C ILE A 52 -6.925 -1.147 6.371 1.00 0.00 C ATOM 662 O ILE A 52 -7.454 -2.196 6.004 1.00 0.00 O ATOM 663 CB ILE A 52 -4.700 -0.720 7.568 1.00 0.00 C ATOM 664 CG1 ILE A 52 -3.181 -0.735 7.388 1.00 0.00 C ATOM 665 CG2 ILE A 52 -5.163 -1.729 8.620 1.00 0.00 C ATOM 666 CD1 ILE A 52 -2.547 0.532 7.968 1.00 0.00 C ATOM 0 H ILE A 52 -4.554 0.881 5.696 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.007 -1.884 5.839 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.970 0.271 7.931 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.762 -1.613 7.879 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.938 -0.815 6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.641 -1.542 9.558 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.237 -1.626 8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.942 -2.740 8.277 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.467 0.496 7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.950 1.407 7.458 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.772 0.597 9.033 1.00 0.00 H new ATOM 677 N TYR A 53 -7.576 -0.122 6.898 1.00 0.00 N ATOM 678 CA TYR A 53 -9.016 -0.168 7.088 1.00 0.00 C ATOM 679 C TYR A 53 -9.699 -0.893 5.927 1.00 0.00 C ATOM 680 O TYR A 53 -10.527 -1.777 6.144 1.00 0.00 O ATOM 681 CB TYR A 53 -9.485 1.289 7.110 1.00 0.00 C ATOM 682 CG TYR A 53 -10.131 1.715 8.430 1.00 0.00 C ATOM 683 CD1 TYR A 53 -11.302 1.118 8.850 1.00 0.00 C ATOM 684 CD2 TYR A 53 -9.541 2.696 9.202 1.00 0.00 C ATOM 685 CE1 TYR A 53 -11.909 1.518 10.092 1.00 0.00 C ATOM 686 CE2 TYR A 53 -10.149 3.096 10.444 1.00 0.00 C ATOM 687 CZ TYR A 53 -11.303 2.488 10.827 1.00 0.00 C ATOM 688 OH TYR A 53 -11.877 2.866 12.001 1.00 0.00 O ATOM 0 H TYR A 53 -7.133 0.746 7.200 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.265 -0.702 8.005 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -8.632 1.937 6.909 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.200 1.442 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.763 0.350 8.246 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.624 3.163 8.874 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -12.825 1.058 10.432 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.698 3.862 11.058 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.335 3.567 12.420 1.00 0.00 H new ATOM 697 N LYS A 54 -9.327 -0.494 4.720 1.00 0.00 N ATOM 698 CA LYS A 54 -9.893 -1.095 3.525 1.00 0.00 C ATOM 699 C LYS A 54 -9.562 -2.588 3.504 1.00 0.00 C ATOM 700 O LYS A 54 -10.462 -3.427 3.540 1.00 0.00 O ATOM 701 CB LYS A 54 -9.427 -0.345 2.275 1.00 0.00 C ATOM 702 CG LYS A 54 -10.324 0.862 1.992 1.00 0.00 C ATOM 703 CD LYS A 54 -10.243 1.272 0.521 1.00 0.00 C ATOM 704 CE LYS A 54 -10.641 2.739 0.339 1.00 0.00 C ATOM 705 NZ LYS A 54 -11.434 2.910 -0.899 1.00 0.00 N ATOM 0 H LYS A 54 -8.640 0.239 4.544 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.980 -1.009 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.397 -0.014 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -9.437 -1.018 1.418 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.355 0.622 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.024 1.698 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.229 1.118 0.152 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.899 0.637 -0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.221 3.074 1.199 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.748 3.362 0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.696 3.911 -1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.868 2.609 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.296 2.331 -0.842 1.00 0.00 H new ATOM 715 N LEU A 55 -8.270 -2.875 3.446 1.00 0.00 N ATOM 716 CA LEU A 55 -7.809 -4.253 3.422 1.00 0.00 C ATOM 717 C LEU A 55 -8.572 -5.060 4.474 1.00 0.00 C ATOM 718 O LEU A 55 -9.310 -5.984 4.138 1.00 0.00 O ATOM 719 CB LEU A 55 -6.289 -4.313 3.582 1.00 0.00 C ATOM 720 CG LEU A 55 -5.471 -3.673 2.460 1.00 0.00 C ATOM 721 CD1 LEU A 55 -4.029 -3.422 2.906 1.00 0.00 C ATOM 722 CD2 LEU A 55 -5.536 -4.515 1.184 1.00 0.00 C ATOM 0 H LEU A 55 -7.527 -2.176 3.415 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.021 -4.709 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.023 -3.828 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.994 -5.359 3.669 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.911 -2.703 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.470 -2.966 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.025 -2.752 3.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.563 -4.368 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.946 -4.037 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.137 -5.509 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.572 -4.599 0.856 1.00 0.00 H new ATOM 733 N LYS A 56 -8.366 -4.681 5.727 1.00 0.00 N ATOM 734 CA LYS A 56 -9.025 -5.358 6.831 1.00 0.00 C ATOM 735 C LYS A 56 -10.478 -5.648 6.452 1.00 0.00 C ATOM 736 O LYS A 56 -10.889 -6.807 6.395 1.00 0.00 O ATOM 737 CB LYS A 56 -8.875 -4.549 8.121 1.00 0.00 C ATOM 738 CG LYS A 56 -7.465 -4.691 8.697 1.00 0.00 C ATOM 739 CD LYS A 56 -7.504 -5.302 10.099 1.00 0.00 C ATOM 740 CE LYS A 56 -6.312 -6.234 10.325 1.00 0.00 C ATOM 741 NZ LYS A 56 -6.766 -7.636 10.454 1.00 0.00 N ATOM 0 H LYS A 56 -7.752 -3.914 6.002 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.549 -6.319 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.086 -3.498 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.607 -4.888 8.854 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.861 -5.317 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.984 -3.714 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.496 -4.508 10.846 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.433 -5.856 10.232 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.613 -6.147 9.493 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.775 -5.935 11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.944 -8.254 10.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.416 -7.718 11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.258 -7.923 9.584 1.00 0.00 H new ATOM 751 N SER A 57 -11.217 -4.577 6.203 1.00 0.00 N ATOM 752 CA SER A 57 -12.616 -4.702 5.831 1.00 0.00 C ATOM 753 C SER A 57 -12.781 -5.805 4.783 1.00 0.00 C ATOM 754 O SER A 57 -13.521 -6.764 4.998 1.00 0.00 O ATOM 755 CB SER A 57 -13.164 -3.377 5.298 1.00 0.00 C ATOM 756 OG SER A 57 -14.550 -3.463 4.978 1.00 0.00 O ATOM 0 H SER A 57 -10.873 -3.618 6.252 1.00 0.00 H new ATOM 0 HA SER A 57 -13.185 -4.967 6.722 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.012 -2.596 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.604 -3.084 4.410 1.00 0.00 H new ATOM 0 HG SER A 57 -14.863 -2.597 4.643 1.00 0.00 H new ATOM 761 N SER A 58 -12.082 -5.631 3.671 1.00 0.00 N ATOM 762 CA SER A 58 -12.143 -6.599 2.589 1.00 0.00 C ATOM 763 C SER A 58 -11.489 -7.912 3.026 1.00 0.00 C ATOM 764 O SER A 58 -10.265 -8.017 3.064 1.00 0.00 O ATOM 765 CB SER A 58 -11.463 -6.060 1.328 1.00 0.00 C ATOM 766 OG SER A 58 -12.140 -4.923 0.802 1.00 0.00 O ATOM 0 H SER A 58 -11.470 -4.834 3.496 1.00 0.00 H new ATOM 0 HA SER A 58 -13.191 -6.783 2.352 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.431 -5.794 1.558 1.00 0.00 H new ATOM 0 HB3 SER A 58 -11.429 -6.844 0.571 1.00 0.00 H new ATOM 0 HG SER A 58 -11.675 -4.608 -0.001 1.00 0.00 H new ATOM 771 N GLN A 59 -12.336 -8.881 3.342 1.00 0.00 N ATOM 772 CA GLN A 59 -11.856 -10.182 3.773 1.00 0.00 C ATOM 773 C GLN A 59 -10.937 -10.034 4.988 1.00 0.00 C ATOM 774 O GLN A 59 -9.733 -9.837 4.839 1.00 0.00 O ATOM 775 CB GLN A 59 -11.142 -10.909 2.633 1.00 0.00 C ATOM 776 CG GLN A 59 -12.120 -11.258 1.508 1.00 0.00 C ATOM 777 CD GLN A 59 -11.769 -12.606 0.874 1.00 0.00 C ATOM 778 OE1 GLN A 59 -10.697 -13.154 1.074 1.00 0.00 O ATOM 779 NE2 GLN A 59 -12.728 -13.106 0.100 1.00 0.00 N ATOM 0 H GLN A 59 -13.351 -8.791 3.308 1.00 0.00 H new ATOM 0 HA GLN A 59 -12.716 -10.786 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -10.341 -10.282 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.678 -11.820 3.012 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -13.136 -11.291 1.902 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.098 -10.478 0.747 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -13.602 -12.595 -0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.590 -14.001 -0.369 1.00 0.00 H new ATOM 786 N GLY A 60 -11.542 -10.134 6.163 1.00 0.00 N ATOM 787 CA GLY A 60 -10.794 -10.012 7.402 1.00 0.00 C ATOM 788 C GLY A 60 -11.248 -11.059 8.422 1.00 0.00 C ATOM 789 O GLY A 60 -11.169 -12.258 8.164 1.00 0.00 O ATOM 0 H GLY A 60 -12.542 -10.298 6.283 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.729 -10.132 7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.930 -9.013 7.816 1.00 0.00 H new ATOM 793 N PHE A 61 -11.716 -10.565 9.560 1.00 0.00 N ATOM 794 CA PHE A 61 -12.184 -11.441 10.620 1.00 0.00 C ATOM 795 C PHE A 61 -11.133 -12.500 10.960 1.00 0.00 C ATOM 796 O PHE A 61 -11.055 -13.536 10.302 1.00 0.00 O ATOM 797 CB PHE A 61 -13.442 -12.139 10.100 1.00 0.00 C ATOM 798 CG PHE A 61 -14.616 -12.117 11.082 1.00 0.00 C ATOM 799 CD1 PHE A 61 -15.424 -11.026 11.151 1.00 0.00 C ATOM 800 CD2 PHE A 61 -14.851 -13.188 11.886 1.00 0.00 C ATOM 801 CE1 PHE A 61 -16.513 -11.005 12.062 1.00 0.00 C ATOM 802 CE2 PHE A 61 -15.940 -13.169 12.796 1.00 0.00 C ATOM 803 CZ PHE A 61 -16.748 -12.076 12.866 1.00 0.00 C ATOM 0 H PHE A 61 -11.781 -9.569 9.770 1.00 0.00 H new ATOM 0 HA PHE A 61 -12.383 -10.861 11.521 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -13.751 -11.663 9.169 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -13.199 -13.175 9.863 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -15.238 -10.175 10.513 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -14.208 -14.054 11.832 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -17.155 -10.138 12.116 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -16.127 -14.021 13.432 1.00 0.00 H new ATOM 0 HZ PHE A 61 -17.575 -12.059 13.560 1.00 0.00 H new ATOM 812 N SER A 62 -10.349 -12.202 11.986 1.00 0.00 N ATOM 813 CA SER A 62 -9.306 -13.114 12.421 1.00 0.00 C ATOM 814 C SER A 62 -8.343 -13.398 11.267 1.00 0.00 C ATOM 815 O SER A 62 -8.646 -14.199 10.383 1.00 0.00 O ATOM 816 CB SER A 62 -9.902 -14.421 12.949 1.00 0.00 C ATOM 817 OG SER A 62 -8.911 -15.263 13.532 1.00 0.00 O ATOM 0 H SER A 62 -10.416 -11.341 12.529 1.00 0.00 H new ATOM 0 HA SER A 62 -8.757 -12.641 13.235 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.669 -14.196 13.691 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.393 -14.951 12.133 1.00 0.00 H new ATOM 0 HG SER A 62 -9.332 -16.086 13.858 1.00 0.00 H new ATOM 822 N GLY A 63 -7.203 -12.726 11.311 1.00 0.00 N ATOM 823 CA GLY A 63 -6.193 -12.896 10.280 1.00 0.00 C ATOM 824 C GLY A 63 -5.032 -13.754 10.784 1.00 0.00 C ATOM 825 O GLY A 63 -4.954 -14.943 10.476 1.00 0.00 O ATOM 0 H GLY A 63 -6.956 -12.062 12.045 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.640 -13.363 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.820 -11.921 9.968 1.00 0.00 H new ATOM 829 N PRO A 64 -4.135 -13.102 11.572 1.00 0.00 N ATOM 830 CA PRO A 64 -2.981 -13.793 12.123 1.00 0.00 C ATOM 831 C PRO A 64 -3.390 -14.704 13.283 1.00 0.00 C ATOM 832 O PRO A 64 -3.866 -14.228 14.312 1.00 0.00 O ATOM 833 CB PRO A 64 -2.025 -12.689 12.543 1.00 0.00 C ATOM 834 CG PRO A 64 -2.866 -11.426 12.642 1.00 0.00 C ATOM 835 CD PRO A 64 -4.195 -11.696 11.958 1.00 0.00 C ATOM 0 HA PRO A 64 -2.506 -14.460 11.403 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.555 -12.922 13.499 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.223 -12.568 11.815 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -3.022 -11.153 13.685 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -2.355 -10.589 12.166 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -5.032 -11.505 12.630 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.331 -11.052 11.089 1.00 0.00 H new ATOM 840 N SER A 65 -3.188 -15.997 13.076 1.00 0.00 N ATOM 841 CA SER A 65 -3.530 -16.979 14.091 1.00 0.00 C ATOM 842 C SER A 65 -2.288 -17.340 14.908 1.00 0.00 C ATOM 843 O SER A 65 -2.271 -17.170 16.126 1.00 0.00 O ATOM 844 CB SER A 65 -4.134 -18.235 13.462 1.00 0.00 C ATOM 845 OG SER A 65 -4.384 -19.251 14.430 1.00 0.00 O ATOM 0 H SER A 65 -2.792 -16.387 12.221 1.00 0.00 H new ATOM 0 HA SER A 65 -4.278 -16.541 14.752 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.066 -17.976 12.959 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.457 -18.620 12.699 1.00 0.00 H new ATOM 0 HG SER A 65 -4.771 -20.036 13.988 1.00 0.00 H new ATOM 850 N SER A 66 -1.278 -17.831 14.205 1.00 0.00 N ATOM 851 CA SER A 66 -0.035 -18.217 14.850 1.00 0.00 C ATOM 852 C SER A 66 1.119 -18.151 13.846 1.00 0.00 C ATOM 853 O SER A 66 0.944 -18.474 12.673 1.00 0.00 O ATOM 854 CB SER A 66 -0.138 -19.622 15.447 1.00 0.00 C ATOM 855 OG SER A 66 0.913 -19.886 16.374 1.00 0.00 O ATOM 0 H SER A 66 -1.295 -17.970 13.195 1.00 0.00 H new ATOM 0 HA SER A 66 0.159 -17.518 15.664 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.100 -19.734 15.948 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.108 -20.360 14.645 1.00 0.00 H new ATOM 0 HG SER A 66 0.811 -20.792 16.734 1.00 0.00 H new ATOM 860 N GLY A 67 2.271 -17.729 14.344 1.00 0.00 N ATOM 861 CA GLY A 67 3.452 -17.615 13.506 1.00 0.00 C ATOM 862 C GLY A 67 3.811 -16.149 13.260 1.00 0.00 C ATOM 863 O GLY A 67 3.026 -15.403 12.678 1.00 0.00 O ATOM 0 H GLY A 67 2.412 -17.462 15.318 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.290 -18.123 13.982 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.276 -18.115 12.553 1.00 0.00 H new TER 867 GLY A 67