USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 638 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 66 CYS SG : rot 110:sc= -0.951 USER MOD Set 1.2: A 67 THR OG1 : rot 99:sc= 1.62 USER MOD Set 2.1: A 36 GLN : amide:sc= 0.855 K(o=3.3,f=2.2) USER MOD Set 2.2: A 40 HIS : no HE2:sc= 1.57 K(o=3.3,f=-7.3!) USER MOD Set 2.3: A 43 GLN : amide:sc= 0.872 K(o=3.3,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0636 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 MET CE :methyl -176:sc= 0 (180deg=-0.0185) USER MOD Single : A 6 SER OG : rot 180:sc= 0.00157 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00965 USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= 1.11 (180deg=1.05) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -179:sc= 2.02 (180deg=1.95) USER MOD Single : A 24 GLN : amide:sc= -0.394 K(o=-0.39,f=-3.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 1.08 K(o=1.1,f=-0.48) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -140:sc= 1.24 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HE2:sc= 0.593 K(o=0.59,f=-2.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0091) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.0866 X(o=-0.087,f=-0.087) USER MOD Single : A 61 SER OG : rot -83:sc= 1.22 USER MOD Single : A 65 LYS NZ :NH3+ -139:sc= 0.268 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.13) USER MOD Single : A 77 LYS NZ :NH3+ 177:sc= 1.33 (180deg=1.3) USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0326 USER MOD Single : A 81 LYS NZ :NH3+ -173:sc= 0.745 (180deg=0.707) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.560 -22.992 -8.596 1.00 0.00 N ATOM 2 CA GLY A 1 -7.286 -22.301 -8.893 1.00 0.00 C ATOM 3 C GLY A 1 -6.451 -23.063 -9.914 1.00 0.00 C ATOM 4 O GLY A 1 -6.632 -24.268 -10.102 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.355 -22.421 -8.949 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.568 -23.922 -9.062 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.654 -23.119 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.495 -21.300 -9.270 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.714 -22.182 -7.973 1.00 0.00 H new ATOM 10 N SER A 2 -5.522 -22.372 -10.583 1.00 0.00 N ATOM 11 CA SER A 2 -4.649 -22.932 -11.635 1.00 0.00 C ATOM 12 C SER A 2 -3.515 -23.836 -11.127 1.00 0.00 C ATOM 13 O SER A 2 -2.925 -24.571 -11.919 1.00 0.00 O ATOM 14 CB SER A 2 -4.036 -21.788 -12.450 1.00 0.00 C ATOM 15 OG SER A 2 -3.233 -20.962 -11.618 1.00 0.00 O ATOM 0 H SER A 2 -5.347 -21.382 -10.408 1.00 0.00 H new ATOM 0 HA SER A 2 -5.296 -23.568 -12.239 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.432 -22.194 -13.262 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.827 -21.194 -12.908 1.00 0.00 H new ATOM 0 HG SER A 2 -2.847 -20.237 -12.152 1.00 0.00 H new ATOM 21 N ASP A 3 -3.188 -23.788 -9.828 1.00 0.00 N ATOM 22 CA ASP A 3 -2.087 -24.479 -9.119 1.00 0.00 C ATOM 23 C ASP A 3 -0.649 -24.125 -9.579 1.00 0.00 C ATOM 24 O ASP A 3 0.302 -24.285 -8.811 1.00 0.00 O ATOM 25 CB ASP A 3 -2.347 -25.998 -9.111 1.00 0.00 C ATOM 26 CG ASP A 3 -1.439 -26.751 -8.123 1.00 0.00 C ATOM 27 OD1 ASP A 3 -1.584 -26.549 -6.892 1.00 0.00 O ATOM 28 OD2 ASP A 3 -0.609 -27.582 -8.568 1.00 0.00 O ATOM 0 H ASP A 3 -3.733 -23.215 -9.184 1.00 0.00 H new ATOM 0 HA ASP A 3 -2.107 -24.094 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.390 -26.183 -8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.192 -26.394 -10.115 1.00 0.00 H new ATOM 33 N HIS A 4 -0.472 -23.574 -10.784 1.00 0.00 N ATOM 34 CA HIS A 4 0.807 -23.127 -11.358 1.00 0.00 C ATOM 35 C HIS A 4 1.362 -21.810 -10.764 1.00 0.00 C ATOM 36 O HIS A 4 2.483 -21.415 -11.098 1.00 0.00 O ATOM 37 CB HIS A 4 0.642 -23.007 -12.883 1.00 0.00 C ATOM 38 CG HIS A 4 0.443 -24.334 -13.577 1.00 0.00 C ATOM 39 ND1 HIS A 4 1.395 -25.321 -13.717 1.00 0.00 N ATOM 40 CD2 HIS A 4 -0.695 -24.764 -14.205 1.00 0.00 C ATOM 41 CE1 HIS A 4 0.844 -26.333 -14.410 1.00 0.00 C ATOM 42 NE2 HIS A 4 -0.429 -26.037 -14.732 1.00 0.00 N ATOM 0 H HIS A 4 -1.254 -23.419 -11.420 1.00 0.00 H new ATOM 0 HA HIS A 4 1.551 -23.880 -11.096 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.211 -22.363 -13.098 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.524 -22.518 -13.298 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -1.627 -24.223 -14.281 1.00 0.00 H new ATOM 0 HE1 HIS A 4 1.350 -27.251 -14.671 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -1.076 -26.625 -15.258 1.00 0.00 H new ATOM 50 N MET A 5 0.617 -21.125 -9.887 1.00 0.00 N ATOM 51 CA MET A 5 1.027 -19.882 -9.210 1.00 0.00 C ATOM 52 C MET A 5 2.323 -20.059 -8.393 1.00 0.00 C ATOM 53 O MET A 5 2.352 -20.792 -7.400 1.00 0.00 O ATOM 54 CB MET A 5 -0.109 -19.361 -8.312 1.00 0.00 C ATOM 55 CG MET A 5 -1.329 -18.872 -9.106 1.00 0.00 C ATOM 56 SD MET A 5 -1.042 -17.480 -10.242 1.00 0.00 S ATOM 57 CE MET A 5 -0.730 -16.134 -9.064 1.00 0.00 C ATOM 0 H MET A 5 -0.319 -21.428 -9.618 1.00 0.00 H new ATOM 0 HA MET A 5 1.236 -19.146 -9.986 1.00 0.00 H new ATOM 0 HB2 MET A 5 -0.420 -20.155 -7.632 1.00 0.00 H new ATOM 0 HB3 MET A 5 0.268 -18.544 -7.697 1.00 0.00 H new ATOM 0 HG2 MET A 5 -1.721 -19.710 -9.683 1.00 0.00 H new ATOM 0 HG3 MET A 5 -2.105 -18.582 -8.398 1.00 0.00 H new ATOM 0 HE1 MET A 5 -0.607 -15.197 -9.607 1.00 0.00 H new ATOM 0 HE2 MET A 5 -1.573 -16.048 -8.378 1.00 0.00 H new ATOM 0 HE3 MET A 5 0.177 -16.348 -8.499 1.00 0.00 H new ATOM 67 N SER A 6 3.402 -19.399 -8.827 1.00 0.00 N ATOM 68 CA SER A 6 4.727 -19.425 -8.183 1.00 0.00 C ATOM 69 C SER A 6 4.777 -18.631 -6.858 1.00 0.00 C ATOM 70 O SER A 6 3.809 -17.972 -6.462 1.00 0.00 O ATOM 71 CB SER A 6 5.776 -18.900 -9.174 1.00 0.00 C ATOM 72 OG SER A 6 7.085 -19.277 -8.772 1.00 0.00 O ATOM 0 H SER A 6 3.380 -18.813 -9.662 1.00 0.00 H new ATOM 0 HA SER A 6 4.945 -20.459 -7.916 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.570 -19.292 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.710 -17.814 -9.239 1.00 0.00 H new ATOM 0 HG SER A 6 7.737 -18.934 -9.418 1.00 0.00 H new ATOM 78 N SER A 7 5.915 -18.697 -6.163 1.00 0.00 N ATOM 79 CA SER A 7 6.216 -17.994 -4.904 1.00 0.00 C ATOM 80 C SER A 7 6.294 -16.461 -5.053 1.00 0.00 C ATOM 81 O SER A 7 6.359 -15.920 -6.163 1.00 0.00 O ATOM 82 CB SER A 7 7.546 -18.516 -4.336 1.00 0.00 C ATOM 83 OG SER A 7 7.483 -19.917 -4.111 1.00 0.00 O ATOM 0 H SER A 7 6.697 -19.272 -6.477 1.00 0.00 H new ATOM 0 HA SER A 7 5.388 -18.200 -4.226 1.00 0.00 H new ATOM 0 HB2 SER A 7 8.356 -18.291 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.774 -18.003 -3.402 1.00 0.00 H new ATOM 0 HG SER A 7 8.339 -20.229 -3.751 1.00 0.00 H new ATOM 89 N THR A 8 6.342 -15.754 -3.919 1.00 0.00 N ATOM 90 CA THR A 8 6.430 -14.282 -3.800 1.00 0.00 C ATOM 91 C THR A 8 7.443 -13.911 -2.706 1.00 0.00 C ATOM 92 O THR A 8 7.594 -14.660 -1.736 1.00 0.00 O ATOM 93 CB THR A 8 5.040 -13.702 -3.460 1.00 0.00 C ATOM 94 OG1 THR A 8 4.041 -14.196 -4.331 1.00 0.00 O ATOM 95 CG2 THR A 8 4.977 -12.181 -3.558 1.00 0.00 C ATOM 0 H THR A 8 6.320 -16.211 -3.007 1.00 0.00 H new ATOM 0 HA THR A 8 6.764 -13.861 -4.748 1.00 0.00 H new ATOM 0 HB THR A 8 4.865 -14.013 -2.430 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.174 -13.810 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.972 -11.841 -3.306 1.00 0.00 H new ATOM 0 HG22 THR A 8 5.693 -11.742 -2.864 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.220 -11.871 -4.574 1.00 0.00 H new ATOM 103 N SER A 9 8.149 -12.777 -2.828 1.00 0.00 N ATOM 104 CA SER A 9 9.154 -12.361 -1.831 1.00 0.00 C ATOM 105 C SER A 9 8.522 -11.967 -0.481 1.00 0.00 C ATOM 106 O SER A 9 7.412 -11.426 -0.469 1.00 0.00 O ATOM 107 CB SER A 9 10.016 -11.205 -2.354 1.00 0.00 C ATOM 108 OG SER A 9 9.271 -10.006 -2.494 1.00 0.00 O ATOM 0 H SER A 9 8.044 -12.128 -3.608 1.00 0.00 H new ATOM 0 HA SER A 9 9.788 -13.232 -1.662 1.00 0.00 H new ATOM 0 HB2 SER A 9 10.849 -11.036 -1.671 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.445 -11.480 -3.318 1.00 0.00 H new ATOM 0 HG SER A 9 9.856 -9.294 -2.828 1.00 0.00 H new ATOM 114 N PRO A 10 9.211 -12.168 0.662 1.00 0.00 N ATOM 115 CA PRO A 10 8.712 -11.774 1.985 1.00 0.00 C ATOM 116 C PRO A 10 8.265 -10.308 2.078 1.00 0.00 C ATOM 117 O PRO A 10 7.236 -10.011 2.684 1.00 0.00 O ATOM 118 CB PRO A 10 9.857 -12.066 2.962 1.00 0.00 C ATOM 119 CG PRO A 10 10.615 -13.203 2.284 1.00 0.00 C ATOM 120 CD PRO A 10 10.484 -12.866 0.800 1.00 0.00 C ATOM 0 HA PRO A 10 7.808 -12.337 2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 10 10.491 -11.192 3.111 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.484 -12.360 3.943 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.658 -13.238 2.600 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.179 -14.174 2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.312 -12.240 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 10 10.503 -13.770 0.191 1.00 0.00 H new ATOM 128 N ASN A 11 9.009 -9.390 1.450 1.00 0.00 N ATOM 129 CA ASN A 11 8.697 -7.957 1.432 1.00 0.00 C ATOM 130 C ASN A 11 7.397 -7.658 0.664 1.00 0.00 C ATOM 131 O ASN A 11 6.536 -6.935 1.168 1.00 0.00 O ATOM 132 CB ASN A 11 9.891 -7.191 0.837 1.00 0.00 C ATOM 133 CG ASN A 11 11.115 -7.235 1.735 1.00 0.00 C ATOM 134 OD1 ASN A 11 11.104 -6.775 2.868 1.00 0.00 O ATOM 135 ND2 ASN A 11 12.215 -7.784 1.266 1.00 0.00 N ATOM 0 H ASN A 11 9.856 -9.625 0.933 1.00 0.00 H new ATOM 0 HA ASN A 11 8.528 -7.623 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 11 10.142 -7.614 -0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.605 -6.153 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.053 -7.824 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 11 12.230 -8.169 0.322 1.00 0.00 H new ATOM 142 N LEU A 12 7.229 -8.229 -0.535 1.00 0.00 N ATOM 143 CA LEU A 12 6.015 -8.076 -1.343 1.00 0.00 C ATOM 144 C LEU A 12 4.796 -8.741 -0.683 1.00 0.00 C ATOM 145 O LEU A 12 3.710 -8.163 -0.668 1.00 0.00 O ATOM 146 CB LEU A 12 6.297 -8.633 -2.748 1.00 0.00 C ATOM 147 CG LEU A 12 5.164 -8.450 -3.776 1.00 0.00 C ATOM 148 CD1 LEU A 12 4.666 -7.007 -3.876 1.00 0.00 C ATOM 149 CD2 LEU A 12 5.678 -8.847 -5.160 1.00 0.00 C ATOM 0 H LEU A 12 7.939 -8.815 -0.975 1.00 0.00 H new ATOM 0 HA LEU A 12 5.758 -7.020 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.196 -8.154 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.516 -9.697 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 12 4.337 -9.076 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.869 -6.948 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.285 -6.686 -2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.489 -6.358 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.882 -8.720 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.524 -8.214 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.995 -9.890 -5.145 1.00 0.00 H new ATOM 161 N GLN A 13 4.976 -9.916 -0.071 1.00 0.00 N ATOM 162 CA GLN A 13 3.955 -10.553 0.768 1.00 0.00 C ATOM 163 C GLN A 13 3.509 -9.627 1.909 1.00 0.00 C ATOM 164 O GLN A 13 2.305 -9.410 2.066 1.00 0.00 O ATOM 165 CB GLN A 13 4.454 -11.901 1.312 1.00 0.00 C ATOM 166 CG GLN A 13 4.550 -12.966 0.210 1.00 0.00 C ATOM 167 CD GLN A 13 5.039 -14.310 0.754 1.00 0.00 C ATOM 168 OE1 GLN A 13 6.075 -14.422 1.397 1.00 0.00 O ATOM 169 NE2 GLN A 13 4.314 -15.387 0.527 1.00 0.00 N ATOM 0 H GLN A 13 5.839 -10.455 -0.144 1.00 0.00 H new ATOM 0 HA GLN A 13 3.084 -10.744 0.142 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.433 -11.766 1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.779 -12.249 2.094 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.573 -13.097 -0.254 1.00 0.00 H new ATOM 0 HG3 GLN A 13 5.230 -12.621 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.448 -15.315 -0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.619 -16.292 0.885 1.00 0.00 H new ATOM 178 N LYS A 14 4.449 -9.021 2.657 1.00 0.00 N ATOM 179 CA LYS A 14 4.144 -8.012 3.690 1.00 0.00 C ATOM 180 C LYS A 14 3.348 -6.841 3.111 1.00 0.00 C ATOM 181 O LYS A 14 2.307 -6.482 3.651 1.00 0.00 O ATOM 182 CB LYS A 14 5.420 -7.511 4.407 1.00 0.00 C ATOM 183 CG LYS A 14 5.243 -7.349 5.930 1.00 0.00 C ATOM 184 CD LYS A 14 4.085 -6.443 6.377 1.00 0.00 C ATOM 185 CE LYS A 14 3.793 -6.525 7.882 1.00 0.00 C ATOM 186 NZ LYS A 14 3.115 -7.798 8.254 1.00 0.00 N ATOM 0 H LYS A 14 5.445 -9.218 2.562 1.00 0.00 H new ATOM 0 HA LYS A 14 3.523 -8.505 4.438 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.234 -8.211 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.716 -6.553 3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.096 -8.337 6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.170 -6.953 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.319 -5.411 6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.186 -6.716 5.825 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.727 -6.437 8.437 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.167 -5.682 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.816 -7.754 9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.281 -7.937 7.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.774 -8.593 8.125 1.00 0.00 H new ATOM 200 N ALA A 15 3.796 -6.268 1.994 1.00 0.00 N ATOM 201 CA ALA A 15 3.126 -5.144 1.344 1.00 0.00 C ATOM 202 C ALA A 15 1.617 -5.389 1.148 1.00 0.00 C ATOM 203 O ALA A 15 0.805 -4.541 1.512 1.00 0.00 O ATOM 204 CB ALA A 15 3.818 -4.854 0.012 1.00 0.00 C ATOM 0 H ALA A 15 4.641 -6.574 1.512 1.00 0.00 H new ATOM 0 HA ALA A 15 3.206 -4.274 1.996 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.324 -4.016 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.864 -4.604 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.761 -5.735 -0.627 1.00 0.00 H new ATOM 210 N ILE A 16 1.236 -6.561 0.624 1.00 0.00 N ATOM 211 CA ILE A 16 -0.164 -6.932 0.354 1.00 0.00 C ATOM 212 C ILE A 16 -0.905 -7.300 1.648 1.00 0.00 C ATOM 213 O ILE A 16 -2.026 -6.841 1.864 1.00 0.00 O ATOM 214 CB ILE A 16 -0.275 -8.101 -0.658 1.00 0.00 C ATOM 215 CG1 ILE A 16 0.515 -7.835 -1.962 1.00 0.00 C ATOM 216 CG2 ILE A 16 -1.752 -8.372 -1.008 1.00 0.00 C ATOM 217 CD1 ILE A 16 0.720 -9.074 -2.844 1.00 0.00 C ATOM 0 H ILE A 16 1.901 -7.292 0.371 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.633 -6.053 -0.088 1.00 0.00 H new ATOM 0 HB ILE A 16 0.162 -8.974 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.009 -7.075 -2.541 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.490 -7.423 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.812 -9.196 -1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.298 -8.635 -0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.191 -7.478 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.282 -8.797 -3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.273 -9.830 -2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.250 -9.476 -3.137 1.00 0.00 H new ATOM 229 N ASP A 17 -0.283 -8.094 2.526 1.00 0.00 N ATOM 230 CA ASP A 17 -0.792 -8.438 3.863 1.00 0.00 C ATOM 231 C ASP A 17 -1.221 -7.185 4.641 1.00 0.00 C ATOM 232 O ASP A 17 -2.287 -7.154 5.260 1.00 0.00 O ATOM 233 CB ASP A 17 0.307 -9.208 4.617 1.00 0.00 C ATOM 234 CG ASP A 17 0.056 -9.331 6.129 1.00 0.00 C ATOM 235 OD1 ASP A 17 -0.848 -10.099 6.537 1.00 0.00 O ATOM 236 OD2 ASP A 17 0.796 -8.682 6.910 1.00 0.00 O ATOM 0 H ASP A 17 0.616 -8.530 2.322 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.680 -9.063 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.394 -10.207 4.191 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.262 -8.708 4.457 1.00 0.00 H new ATOM 241 N LEU A 18 -0.413 -6.127 4.557 1.00 0.00 N ATOM 242 CA LEU A 18 -0.635 -4.881 5.272 1.00 0.00 C ATOM 243 C LEU A 18 -1.528 -3.903 4.482 1.00 0.00 C ATOM 244 O LEU A 18 -2.311 -3.188 5.098 1.00 0.00 O ATOM 245 CB LEU A 18 0.727 -4.364 5.768 1.00 0.00 C ATOM 246 CG LEU A 18 1.343 -3.189 5.012 1.00 0.00 C ATOM 247 CD1 LEU A 18 0.875 -1.920 5.710 1.00 0.00 C ATOM 248 CD2 LEU A 18 2.865 -3.230 5.123 1.00 0.00 C ATOM 0 H LEU A 18 0.427 -6.117 3.979 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.238 -5.029 6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.618 -4.074 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.434 -5.193 5.739 1.00 0.00 H new ATOM 0 HG LEU A 18 1.051 -3.227 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.292 -1.050 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.213 -1.869 5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.211 -1.930 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.292 -2.387 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.155 -3.170 6.172 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.236 -4.162 4.697 1.00 0.00 H new ATOM 260 N ALA A 19 -1.514 -3.921 3.142 1.00 0.00 N ATOM 261 CA ALA A 19 -2.481 -3.201 2.298 1.00 0.00 C ATOM 262 C ALA A 19 -3.921 -3.677 2.589 1.00 0.00 C ATOM 263 O ALA A 19 -4.844 -2.874 2.747 1.00 0.00 O ATOM 264 CB ALA A 19 -2.136 -3.430 0.823 1.00 0.00 C ATOM 0 H ALA A 19 -0.821 -4.443 2.605 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.425 -2.136 2.524 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.851 -2.898 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.131 -3.059 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.181 -4.496 0.600 1.00 0.00 H new ATOM 270 N SER A 20 -4.098 -4.997 2.724 1.00 0.00 N ATOM 271 CA SER A 20 -5.339 -5.646 3.159 1.00 0.00 C ATOM 272 C SER A 20 -5.772 -5.184 4.561 1.00 0.00 C ATOM 273 O SER A 20 -6.935 -4.830 4.775 1.00 0.00 O ATOM 274 CB SER A 20 -5.147 -7.169 3.113 1.00 0.00 C ATOM 275 OG SER A 20 -6.395 -7.828 3.246 1.00 0.00 O ATOM 0 H SER A 20 -3.354 -5.666 2.526 1.00 0.00 H new ATOM 0 HA SER A 20 -6.141 -5.357 2.479 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.676 -7.454 2.172 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.476 -7.482 3.913 1.00 0.00 H new ATOM 0 HG SER A 20 -6.258 -8.798 3.213 1.00 0.00 H new ATOM 281 N LYS A 21 -4.829 -5.102 5.515 1.00 0.00 N ATOM 282 CA LYS A 21 -5.058 -4.604 6.884 1.00 0.00 C ATOM 283 C LYS A 21 -5.467 -3.128 6.896 1.00 0.00 C ATOM 284 O LYS A 21 -6.367 -2.739 7.638 1.00 0.00 O ATOM 285 CB LYS A 21 -3.791 -4.853 7.733 1.00 0.00 C ATOM 286 CG LYS A 21 -3.970 -4.547 9.228 1.00 0.00 C ATOM 287 CD LYS A 21 -4.927 -5.516 9.933 1.00 0.00 C ATOM 288 CE LYS A 21 -6.028 -4.751 10.673 1.00 0.00 C ATOM 289 NZ LYS A 21 -5.578 -4.156 11.957 1.00 0.00 N ATOM 0 H LYS A 21 -3.863 -5.387 5.353 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.893 -5.152 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.489 -5.894 7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.978 -4.241 7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.998 -4.585 9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.345 -3.530 9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.374 -6.189 9.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.371 -6.135 10.638 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.405 -3.958 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.861 -5.427 10.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.376 -3.668 12.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.228 -4.908 12.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.814 -3.474 11.775 1.00 0.00 H new ATOM 303 N ALA A 22 -4.833 -2.321 6.049 1.00 0.00 N ATOM 304 CA ALA A 22 -5.114 -0.900 5.855 1.00 0.00 C ATOM 305 C ALA A 22 -6.595 -0.673 5.521 1.00 0.00 C ATOM 306 O ALA A 22 -7.298 0.036 6.241 1.00 0.00 O ATOM 307 CB ALA A 22 -4.190 -0.344 4.767 1.00 0.00 C ATOM 0 H ALA A 22 -4.076 -2.654 5.452 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.917 -0.362 6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.397 0.716 4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.151 -0.472 5.072 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.363 -0.880 3.834 1.00 0.00 H new ATOM 313 N ALA A 23 -7.072 -1.339 4.465 1.00 0.00 N ATOM 314 CA ALA A 23 -8.474 -1.374 4.054 1.00 0.00 C ATOM 315 C ALA A 23 -9.415 -1.922 5.142 1.00 0.00 C ATOM 316 O ALA A 23 -10.504 -1.379 5.320 1.00 0.00 O ATOM 317 CB ALA A 23 -8.571 -2.172 2.752 1.00 0.00 C ATOM 0 H ALA A 23 -6.468 -1.888 3.852 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.815 -0.352 3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.610 -2.211 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.968 -1.689 1.983 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.204 -3.185 2.918 1.00 0.00 H new ATOM 323 N GLN A 24 -9.006 -2.950 5.899 1.00 0.00 N ATOM 324 CA GLN A 24 -9.782 -3.496 7.020 1.00 0.00 C ATOM 325 C GLN A 24 -10.050 -2.447 8.120 1.00 0.00 C ATOM 326 O GLN A 24 -11.177 -2.329 8.597 1.00 0.00 O ATOM 327 CB GLN A 24 -9.077 -4.747 7.576 1.00 0.00 C ATOM 328 CG GLN A 24 -9.966 -5.532 8.551 1.00 0.00 C ATOM 329 CD GLN A 24 -9.308 -6.843 8.980 1.00 0.00 C ATOM 330 OE1 GLN A 24 -8.335 -6.869 9.723 1.00 0.00 O ATOM 331 NE2 GLN A 24 -9.803 -7.983 8.543 1.00 0.00 N ATOM 0 H GLN A 24 -8.119 -3.430 5.748 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.764 -3.785 6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.787 -5.396 6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.160 -4.449 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.170 -4.922 9.431 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.926 -5.743 8.080 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -10.613 -7.983 7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.376 -8.866 8.824 1.00 0.00 H new ATOM 340 N GLU A 25 -9.040 -1.662 8.506 1.00 0.00 N ATOM 341 CA GLU A 25 -9.173 -0.546 9.460 1.00 0.00 C ATOM 342 C GLU A 25 -9.979 0.631 8.883 1.00 0.00 C ATOM 343 O GLU A 25 -10.909 1.129 9.520 1.00 0.00 O ATOM 344 CB GLU A 25 -7.777 -0.054 9.874 1.00 0.00 C ATOM 345 CG GLU A 25 -7.008 -1.076 10.717 1.00 0.00 C ATOM 346 CD GLU A 25 -7.629 -1.308 12.106 1.00 0.00 C ATOM 347 OE1 GLU A 25 -8.057 -0.331 12.762 1.00 0.00 O ATOM 348 OE2 GLU A 25 -7.706 -2.481 12.545 1.00 0.00 O ATOM 0 H GLU A 25 -8.088 -1.783 8.161 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.719 -0.923 10.325 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.200 0.179 8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.877 0.873 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.970 -2.024 10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.979 -0.737 10.838 1.00 0.00 H new ATOM 355 N ASP A 26 -9.629 1.072 7.671 1.00 0.00 N ATOM 356 CA ASP A 26 -10.297 2.141 6.921 1.00 0.00 C ATOM 357 C ASP A 26 -11.792 1.868 6.764 1.00 0.00 C ATOM 358 O ASP A 26 -12.614 2.583 7.321 1.00 0.00 O ATOM 359 CB ASP A 26 -9.585 2.306 5.565 1.00 0.00 C ATOM 360 CG ASP A 26 -10.358 2.980 4.413 1.00 0.00 C ATOM 361 OD1 ASP A 26 -11.357 3.700 4.636 1.00 0.00 O ATOM 362 OD2 ASP A 26 -9.936 2.772 3.251 1.00 0.00 O ATOM 0 H ASP A 26 -8.838 0.677 7.163 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.226 3.078 7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.674 2.880 5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.280 1.316 5.227 1.00 0.00 H new ATOM 367 N LYS A 27 -12.178 0.828 6.028 1.00 0.00 N ATOM 368 CA LYS A 27 -13.579 0.592 5.662 1.00 0.00 C ATOM 369 C LYS A 27 -14.501 0.172 6.818 1.00 0.00 C ATOM 370 O LYS A 27 -15.720 0.128 6.643 1.00 0.00 O ATOM 371 CB LYS A 27 -13.648 -0.413 4.494 1.00 0.00 C ATOM 372 CG LYS A 27 -13.124 0.135 3.153 1.00 0.00 C ATOM 373 CD LYS A 27 -13.772 1.458 2.702 1.00 0.00 C ATOM 374 CE LYS A 27 -15.301 1.498 2.854 1.00 0.00 C ATOM 375 NZ LYS A 27 -15.993 0.588 1.902 1.00 0.00 N ATOM 0 H LYS A 27 -11.533 0.125 5.668 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.972 1.560 5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -13.074 -1.300 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -14.683 -0.730 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.047 0.282 3.232 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.287 -0.616 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.340 2.276 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -13.518 1.636 1.657 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.569 1.223 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.652 2.518 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.021 0.652 2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.761 0.865 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.681 -0.390 2.068 1.00 0.00 H new ATOM 389 N ALA A 28 -13.941 -0.082 7.998 1.00 0.00 N ATOM 390 CA ALA A 28 -14.675 -0.270 9.261 1.00 0.00 C ATOM 391 C ALA A 28 -14.908 1.081 9.984 1.00 0.00 C ATOM 392 O ALA A 28 -15.573 1.160 11.020 1.00 0.00 O ATOM 393 CB ALA A 28 -13.872 -1.232 10.146 1.00 0.00 C ATOM 0 H ALA A 28 -12.931 -0.167 8.112 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.659 -0.690 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.399 -1.385 11.088 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.758 -2.188 9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.888 -0.807 10.345 1.00 0.00 H new ATOM 399 N GLY A 29 -14.336 2.144 9.417 1.00 0.00 N ATOM 400 CA GLY A 29 -14.158 3.506 9.890 1.00 0.00 C ATOM 401 C GLY A 29 -13.602 3.642 11.299 1.00 0.00 C ATOM 402 O GLY A 29 -14.032 4.493 12.081 1.00 0.00 O ATOM 0 H GLY A 29 -13.933 2.048 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.491 4.026 9.203 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.120 4.016 9.847 1.00 0.00 H new ATOM 406 N ASN A 30 -12.605 2.802 11.601 1.00 0.00 N ATOM 407 CA ASN A 30 -11.774 2.935 12.798 1.00 0.00 C ATOM 408 C ASN A 30 -10.973 4.240 12.696 1.00 0.00 C ATOM 409 O ASN A 30 -10.791 4.934 13.696 1.00 0.00 O ATOM 410 CB ASN A 30 -10.822 1.730 12.909 1.00 0.00 C ATOM 411 CG ASN A 30 -11.514 0.421 13.270 1.00 0.00 C ATOM 412 OD1 ASN A 30 -12.712 0.336 13.504 1.00 0.00 O ATOM 413 ND2 ASN A 30 -10.768 -0.652 13.348 1.00 0.00 N ATOM 0 H ASN A 30 -12.352 2.006 11.016 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.402 2.960 13.689 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.301 1.603 11.960 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.064 1.947 13.662 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.187 -1.547 13.602 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.768 -0.593 13.155 1.00 0.00 H new ATOM 420 N TYR A 31 -10.526 4.556 11.467 1.00 0.00 N ATOM 421 CA TYR A 31 -9.701 5.700 11.071 1.00 0.00 C ATOM 422 C TYR A 31 -8.654 6.033 12.155 1.00 0.00 C ATOM 423 O TYR A 31 -8.581 7.146 12.677 1.00 0.00 O ATOM 424 CB TYR A 31 -10.589 6.886 10.644 1.00 0.00 C ATOM 425 CG TYR A 31 -11.761 6.587 9.713 1.00 0.00 C ATOM 426 CD1 TYR A 31 -11.614 5.794 8.549 1.00 0.00 C ATOM 427 CD2 TYR A 31 -13.018 7.153 10.010 1.00 0.00 C ATOM 428 CE1 TYR A 31 -12.718 5.606 7.692 1.00 0.00 C ATOM 429 CE2 TYR A 31 -14.109 6.987 9.136 1.00 0.00 C ATOM 430 CZ TYR A 31 -13.959 6.220 7.965 1.00 0.00 C ATOM 431 OH TYR A 31 -15.028 6.016 7.146 1.00 0.00 O ATOM 0 H TYR A 31 -10.753 3.968 10.665 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.116 5.441 10.188 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -10.986 7.351 11.546 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.953 7.625 10.158 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -10.663 5.336 8.319 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -13.145 7.721 10.920 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -12.612 4.984 6.815 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -15.059 7.447 9.363 1.00 0.00 H new ATOM 0 HH TYR A 31 -15.800 6.515 7.486 1.00 0.00 H new ATOM 441 N GLU A 32 -7.855 5.022 12.508 1.00 0.00 N ATOM 442 CA GLU A 32 -6.830 5.087 13.556 1.00 0.00 C ATOM 443 C GLU A 32 -5.438 4.747 12.992 1.00 0.00 C ATOM 444 O GLU A 32 -4.698 5.654 12.612 1.00 0.00 O ATOM 445 CB GLU A 32 -7.283 4.208 14.738 1.00 0.00 C ATOM 446 CG GLU A 32 -6.342 4.289 15.942 1.00 0.00 C ATOM 447 CD GLU A 32 -6.909 3.511 17.146 1.00 0.00 C ATOM 448 OE1 GLU A 32 -6.645 2.290 17.266 1.00 0.00 O ATOM 449 OE2 GLU A 32 -7.616 4.117 17.990 1.00 0.00 O ATOM 0 H GLU A 32 -7.904 4.107 12.059 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.722 6.103 13.937 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.284 4.511 15.046 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.351 3.172 14.407 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.366 3.886 15.672 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.190 5.332 16.219 1.00 0.00 H new ATOM 456 N GLU A 33 -5.075 3.462 12.873 1.00 0.00 N ATOM 457 CA GLU A 33 -3.804 3.043 12.247 1.00 0.00 C ATOM 458 C GLU A 33 -3.867 2.969 10.709 1.00 0.00 C ATOM 459 O GLU A 33 -2.832 2.855 10.056 1.00 0.00 O ATOM 460 CB GLU A 33 -3.309 1.718 12.859 1.00 0.00 C ATOM 461 CG GLU A 33 -4.145 0.495 12.450 1.00 0.00 C ATOM 462 CD GLU A 33 -3.639 -0.840 13.049 1.00 0.00 C ATOM 463 OE1 GLU A 33 -2.857 -0.840 14.031 1.00 0.00 O ATOM 464 OE2 GLU A 33 -4.041 -1.917 12.542 1.00 0.00 O ATOM 0 H GLU A 33 -5.647 2.685 13.204 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.078 3.825 12.469 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.274 1.555 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.317 1.805 13.945 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.178 0.653 12.761 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.148 0.416 11.363 1.00 0.00 H new ATOM 471 N ALA A 34 -5.066 3.057 10.116 1.00 0.00 N ATOM 472 CA ALA A 34 -5.322 2.951 8.678 1.00 0.00 C ATOM 473 C ALA A 34 -4.329 3.779 7.849 1.00 0.00 C ATOM 474 O ALA A 34 -3.606 3.233 7.021 1.00 0.00 O ATOM 475 CB ALA A 34 -6.771 3.372 8.396 1.00 0.00 C ATOM 0 H ALA A 34 -5.920 3.211 10.652 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.178 1.914 8.375 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.970 3.296 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.452 2.718 8.940 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.920 4.402 8.721 1.00 0.00 H new ATOM 481 N LEU A 35 -4.243 5.078 8.136 1.00 0.00 N ATOM 482 CA LEU A 35 -3.324 6.028 7.491 1.00 0.00 C ATOM 483 C LEU A 35 -1.894 5.487 7.306 1.00 0.00 C ATOM 484 O LEU A 35 -1.400 5.447 6.179 1.00 0.00 O ATOM 485 CB LEU A 35 -3.294 7.324 8.332 1.00 0.00 C ATOM 486 CG LEU A 35 -3.187 8.648 7.556 1.00 0.00 C ATOM 487 CD1 LEU A 35 -1.972 8.708 6.633 1.00 0.00 C ATOM 488 CD2 LEU A 35 -4.462 8.915 6.761 1.00 0.00 C ATOM 0 H LEU A 35 -4.829 5.517 8.847 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.701 6.213 6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.199 7.357 8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.451 7.264 9.020 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.055 9.428 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.955 9.667 6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.062 8.598 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.031 7.902 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.363 9.856 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.625 8.104 6.051 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.310 8.975 7.443 1.00 0.00 H new ATOM 500 N GLN A 36 -1.240 5.029 8.382 1.00 0.00 N ATOM 501 CA GLN A 36 0.122 4.499 8.299 1.00 0.00 C ATOM 502 C GLN A 36 0.175 3.149 7.576 1.00 0.00 C ATOM 503 O GLN A 36 1.159 2.866 6.900 1.00 0.00 O ATOM 504 CB GLN A 36 0.826 4.470 9.668 1.00 0.00 C ATOM 505 CG GLN A 36 0.290 3.444 10.679 1.00 0.00 C ATOM 506 CD GLN A 36 1.135 3.380 11.952 1.00 0.00 C ATOM 507 OE1 GLN A 36 0.677 3.676 13.048 1.00 0.00 O ATOM 508 NE2 GLN A 36 2.391 2.986 11.877 1.00 0.00 N ATOM 0 H GLN A 36 -1.636 5.016 9.322 1.00 0.00 H new ATOM 0 HA GLN A 36 0.691 5.197 7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.885 4.271 9.506 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.752 5.462 10.113 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.737 3.699 10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.265 2.459 10.213 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.794 2.734 10.974 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.960 2.933 12.722 1.00 0.00 H new ATOM 517 N LEU A 37 -0.885 2.336 7.636 1.00 0.00 N ATOM 518 CA LEU A 37 -0.951 1.069 6.898 1.00 0.00 C ATOM 519 C LEU A 37 -0.952 1.319 5.382 1.00 0.00 C ATOM 520 O LEU A 37 -0.211 0.680 4.637 1.00 0.00 O ATOM 521 CB LEU A 37 -2.166 0.244 7.337 1.00 0.00 C ATOM 522 CG LEU A 37 -2.142 -0.253 8.791 1.00 0.00 C ATOM 523 CD1 LEU A 37 -3.496 -0.878 9.092 1.00 0.00 C ATOM 524 CD2 LEU A 37 -1.097 -1.346 9.017 1.00 0.00 C ATOM 0 H LEU A 37 -1.716 2.535 8.193 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.059 0.488 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.063 0.847 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.253 -0.620 6.678 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.906 0.599 9.429 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.509 -1.241 10.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.279 -0.131 8.961 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.672 -1.711 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.121 -1.662 10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.317 -2.198 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.107 -0.958 8.778 1.00 0.00 H new ATOM 536 N TYR A 38 -1.719 2.304 4.918 1.00 0.00 N ATOM 537 CA TYR A 38 -1.735 2.698 3.509 1.00 0.00 C ATOM 538 C TYR A 38 -0.345 3.100 2.987 1.00 0.00 C ATOM 539 O TYR A 38 0.091 2.588 1.954 1.00 0.00 O ATOM 540 CB TYR A 38 -2.774 3.797 3.292 1.00 0.00 C ATOM 541 CG TYR A 38 -4.141 3.216 2.991 1.00 0.00 C ATOM 542 CD1 TYR A 38 -4.459 2.755 1.702 1.00 0.00 C ATOM 543 CD2 TYR A 38 -5.055 3.028 4.032 1.00 0.00 C ATOM 544 CE1 TYR A 38 -5.704 2.150 1.451 1.00 0.00 C ATOM 545 CE2 TYR A 38 -6.290 2.399 3.804 1.00 0.00 C ATOM 546 CZ TYR A 38 -6.633 1.983 2.499 1.00 0.00 C ATOM 547 OH TYR A 38 -7.836 1.411 2.232 1.00 0.00 O ATOM 0 H TYR A 38 -2.347 2.851 5.507 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.022 1.827 2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.832 4.425 4.181 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -2.460 4.438 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -3.744 2.866 0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.808 3.371 5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.949 1.813 0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.974 2.234 4.623 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.538 1.878 2.731 1.00 0.00 H new ATOM 557 N GLN A 39 0.376 3.980 3.694 1.00 0.00 N ATOM 558 CA GLN A 39 1.737 4.362 3.294 1.00 0.00 C ATOM 559 C GLN A 39 2.792 3.253 3.493 1.00 0.00 C ATOM 560 O GLN A 39 3.679 3.124 2.651 1.00 0.00 O ATOM 561 CB GLN A 39 2.169 5.698 3.925 1.00 0.00 C ATOM 562 CG GLN A 39 1.989 5.835 5.442 1.00 0.00 C ATOM 563 CD GLN A 39 2.768 7.021 6.004 1.00 0.00 C ATOM 564 OE1 GLN A 39 3.873 6.892 6.516 1.00 0.00 O ATOM 565 NE2 GLN A 39 2.233 8.225 5.937 1.00 0.00 N ATOM 0 H GLN A 39 0.042 4.439 4.542 1.00 0.00 H new ATOM 0 HA GLN A 39 1.687 4.509 2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.221 5.860 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.609 6.499 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 39 0.930 5.954 5.672 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.320 4.919 5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.314 8.352 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.739 9.029 6.308 1.00 0.00 H new ATOM 574 N HIS A 40 2.705 2.418 4.537 1.00 0.00 N ATOM 575 CA HIS A 40 3.653 1.312 4.765 1.00 0.00 C ATOM 576 C HIS A 40 3.606 0.256 3.642 1.00 0.00 C ATOM 577 O HIS A 40 4.655 -0.171 3.158 1.00 0.00 O ATOM 578 CB HIS A 40 3.428 0.665 6.145 1.00 0.00 C ATOM 579 CG HIS A 40 3.899 1.465 7.337 1.00 0.00 C ATOM 580 ND1 HIS A 40 5.070 2.182 7.444 1.00 0.00 N ATOM 581 CD2 HIS A 40 3.259 1.543 8.545 1.00 0.00 C ATOM 582 CE1 HIS A 40 5.125 2.704 8.682 1.00 0.00 C ATOM 583 NE2 HIS A 40 4.040 2.341 9.392 1.00 0.00 N ATOM 0 H HIS A 40 1.977 2.488 5.248 1.00 0.00 H new ATOM 0 HA HIS A 40 4.653 1.745 4.749 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.362 0.469 6.263 1.00 0.00 H new ATOM 0 HB3 HIS A 40 3.933 -0.301 6.158 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.772 2.297 6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.320 1.074 8.800 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.926 3.326 9.054 1.00 0.00 H new ATOM 591 N ALA A 41 2.413 -0.134 3.175 1.00 0.00 N ATOM 592 CA ALA A 41 2.205 -0.961 1.987 1.00 0.00 C ATOM 593 C ALA A 41 2.981 -0.415 0.769 1.00 0.00 C ATOM 594 O ALA A 41 3.808 -1.121 0.190 1.00 0.00 O ATOM 595 CB ALA A 41 0.696 -1.029 1.742 1.00 0.00 C ATOM 0 H ALA A 41 1.539 0.128 3.631 1.00 0.00 H new ATOM 0 HA ALA A 41 2.597 -1.966 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.498 -1.639 0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.206 -1.473 2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.308 -0.023 1.582 1.00 0.00 H new ATOM 601 N VAL A 42 2.765 0.863 0.419 1.00 0.00 N ATOM 602 CA VAL A 42 3.454 1.588 -0.673 1.00 0.00 C ATOM 603 C VAL A 42 4.973 1.585 -0.488 1.00 0.00 C ATOM 604 O VAL A 42 5.701 1.321 -1.446 1.00 0.00 O ATOM 605 CB VAL A 42 2.900 3.022 -0.817 1.00 0.00 C ATOM 606 CG1 VAL A 42 3.642 3.860 -1.865 1.00 0.00 C ATOM 607 CG2 VAL A 42 1.429 2.978 -1.245 1.00 0.00 C ATOM 0 H VAL A 42 2.082 1.445 0.903 1.00 0.00 H new ATOM 0 HA VAL A 42 3.249 1.057 -1.603 1.00 0.00 H new ATOM 0 HB VAL A 42 3.032 3.484 0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.201 4.855 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.693 3.942 -1.588 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.561 3.379 -2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.048 3.995 -1.344 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.344 2.464 -2.203 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.847 2.444 -0.494 1.00 0.00 H new ATOM 617 N GLN A 43 5.451 1.811 0.740 1.00 0.00 N ATOM 618 CA GLN A 43 6.864 1.700 1.116 1.00 0.00 C ATOM 619 C GLN A 43 7.469 0.356 0.676 1.00 0.00 C ATOM 620 O GLN A 43 8.469 0.356 -0.043 1.00 0.00 O ATOM 621 CB GLN A 43 7.048 2.046 2.614 1.00 0.00 C ATOM 622 CG GLN A 43 7.828 1.043 3.486 1.00 0.00 C ATOM 623 CD GLN A 43 8.092 1.593 4.887 1.00 0.00 C ATOM 624 OE1 GLN A 43 7.206 2.079 5.577 1.00 0.00 O ATOM 625 NE2 GLN A 43 9.314 1.539 5.373 1.00 0.00 N ATOM 0 H GLN A 43 4.851 2.083 1.519 1.00 0.00 H new ATOM 0 HA GLN A 43 7.446 2.441 0.568 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.553 3.010 2.677 1.00 0.00 H new ATOM 0 HB3 GLN A 43 6.059 2.175 3.053 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.265 0.113 3.561 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.776 0.804 3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.068 1.138 4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.507 1.898 6.308 1.00 0.00 H new ATOM 634 N TYR A 44 6.866 -0.782 1.040 1.00 0.00 N ATOM 635 CA TYR A 44 7.344 -2.092 0.587 1.00 0.00 C ATOM 636 C TYR A 44 7.205 -2.276 -0.932 1.00 0.00 C ATOM 637 O TYR A 44 8.192 -2.644 -1.567 1.00 0.00 O ATOM 638 CB TYR A 44 6.638 -3.234 1.315 1.00 0.00 C ATOM 639 CG TYR A 44 7.055 -3.459 2.753 1.00 0.00 C ATOM 640 CD1 TYR A 44 8.321 -4.003 3.047 1.00 0.00 C ATOM 641 CD2 TYR A 44 6.151 -3.190 3.794 1.00 0.00 C ATOM 642 CE1 TYR A 44 8.682 -4.273 4.383 1.00 0.00 C ATOM 643 CE2 TYR A 44 6.506 -3.455 5.129 1.00 0.00 C ATOM 644 CZ TYR A 44 7.772 -3.999 5.429 1.00 0.00 C ATOM 645 OH TYR A 44 8.105 -4.263 6.723 1.00 0.00 O ATOM 0 H TYR A 44 6.047 -0.821 1.646 1.00 0.00 H new ATOM 0 HA TYR A 44 8.406 -2.123 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.565 -3.044 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.810 -4.155 0.759 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.016 -4.214 2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.179 -2.778 3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 44 9.653 -4.689 4.607 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.808 -3.242 5.925 1.00 0.00 H new ATOM 0 HH TYR A 44 7.361 -4.012 7.310 1.00 0.00 H new ATOM 655 N PHE A 45 6.032 -2.010 -1.532 1.00 0.00 N ATOM 656 CA PHE A 45 5.828 -2.167 -2.982 1.00 0.00 C ATOM 657 C PHE A 45 6.934 -1.482 -3.807 1.00 0.00 C ATOM 658 O PHE A 45 7.558 -2.116 -4.663 1.00 0.00 O ATOM 659 CB PHE A 45 4.455 -1.627 -3.427 1.00 0.00 C ATOM 660 CG PHE A 45 3.225 -2.365 -2.935 1.00 0.00 C ATOM 661 CD1 PHE A 45 3.097 -3.754 -3.118 1.00 0.00 C ATOM 662 CD2 PHE A 45 2.184 -1.659 -2.310 1.00 0.00 C ATOM 663 CE1 PHE A 45 2.008 -4.440 -2.551 1.00 0.00 C ATOM 664 CE2 PHE A 45 1.125 -2.348 -1.705 1.00 0.00 C ATOM 665 CZ PHE A 45 1.067 -3.746 -1.770 1.00 0.00 C ATOM 0 H PHE A 45 5.206 -1.683 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 45 5.869 -3.239 -3.173 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.379 -0.590 -3.101 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.432 -1.621 -4.517 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.835 -4.293 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.200 -0.579 -2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.894 -5.501 -2.716 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.352 -1.800 -1.187 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.307 -4.286 -1.225 1.00 0.00 H new ATOM 675 N LEU A 46 7.207 -0.203 -3.528 1.00 0.00 N ATOM 676 CA LEU A 46 8.244 0.579 -4.208 1.00 0.00 C ATOM 677 C LEU A 46 9.666 0.130 -3.842 1.00 0.00 C ATOM 678 O LEU A 46 10.502 0.036 -4.736 1.00 0.00 O ATOM 679 CB LEU A 46 8.039 2.079 -3.927 1.00 0.00 C ATOM 680 CG LEU A 46 6.697 2.645 -4.434 1.00 0.00 C ATOM 681 CD1 LEU A 46 6.565 4.109 -4.013 1.00 0.00 C ATOM 682 CD2 LEU A 46 6.556 2.595 -5.959 1.00 0.00 C ATOM 0 H LEU A 46 6.706 0.325 -2.813 1.00 0.00 H new ATOM 0 HA LEU A 46 8.140 0.400 -5.278 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.108 2.247 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.853 2.637 -4.390 1.00 0.00 H new ATOM 0 HG LEU A 46 5.920 2.019 -3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.616 4.507 -4.372 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.600 4.179 -2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.385 4.686 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.590 3.008 -6.249 1.00 0.00 H new ATOM 0 HD22 LEU A 46 7.353 3.180 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.625 1.561 -6.297 1.00 0.00 H new ATOM 694 N HIS A 47 9.965 -0.188 -2.578 1.00 0.00 N ATOM 695 CA HIS A 47 11.315 -0.629 -2.188 1.00 0.00 C ATOM 696 C HIS A 47 11.693 -1.987 -2.818 1.00 0.00 C ATOM 697 O HIS A 47 12.868 -2.244 -3.083 1.00 0.00 O ATOM 698 CB HIS A 47 11.448 -0.642 -0.655 1.00 0.00 C ATOM 699 CG HIS A 47 12.866 -0.673 -0.123 1.00 0.00 C ATOM 700 ND1 HIS A 47 14.004 -1.050 -0.804 1.00 0.00 N ATOM 701 CD2 HIS A 47 13.254 -0.290 1.134 1.00 0.00 C ATOM 702 CE1 HIS A 47 15.057 -0.899 0.016 1.00 0.00 C ATOM 703 NE2 HIS A 47 14.646 -0.438 1.213 1.00 0.00 N ATOM 0 H HIS A 47 9.296 -0.150 -1.809 1.00 0.00 H new ATOM 0 HA HIS A 47 12.031 0.091 -2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.949 0.241 -0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.915 -1.511 -0.269 1.00 0.00 H new ATOM 0 HD1 HIS A 47 14.040 -1.386 -1.766 1.00 0.00 H new ATOM 0 HD2 HIS A 47 12.605 0.062 1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 47 16.082 -1.115 -0.246 1.00 0.00 H new ATOM 711 N VAL A 48 10.710 -2.839 -3.126 1.00 0.00 N ATOM 712 CA VAL A 48 10.911 -4.060 -3.921 1.00 0.00 C ATOM 713 C VAL A 48 11.060 -3.724 -5.409 1.00 0.00 C ATOM 714 O VAL A 48 12.105 -3.983 -6.003 1.00 0.00 O ATOM 715 CB VAL A 48 9.751 -5.054 -3.688 1.00 0.00 C ATOM 716 CG1 VAL A 48 9.853 -6.300 -4.578 1.00 0.00 C ATOM 717 CG2 VAL A 48 9.744 -5.532 -2.232 1.00 0.00 C ATOM 0 H VAL A 48 9.744 -2.702 -2.829 1.00 0.00 H new ATOM 0 HA VAL A 48 11.836 -4.535 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 48 8.837 -4.513 -3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.013 -6.964 -4.373 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.832 -6.001 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 48 10.787 -6.821 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.922 -6.232 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.688 -6.029 -2.008 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.617 -4.676 -1.569 1.00 0.00 H new ATOM 727 N VAL A 49 10.045 -3.113 -6.025 1.00 0.00 N ATOM 728 CA VAL A 49 9.974 -2.946 -7.488 1.00 0.00 C ATOM 729 C VAL A 49 10.929 -1.897 -8.069 1.00 0.00 C ATOM 730 O VAL A 49 11.513 -2.144 -9.125 1.00 0.00 O ATOM 731 CB VAL A 49 8.508 -2.726 -7.909 1.00 0.00 C ATOM 732 CG1 VAL A 49 8.346 -2.266 -9.356 1.00 0.00 C ATOM 733 CG2 VAL A 49 7.758 -4.059 -7.751 1.00 0.00 C ATOM 0 H VAL A 49 9.247 -2.718 -5.528 1.00 0.00 H new ATOM 0 HA VAL A 49 10.338 -3.873 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 49 8.110 -1.936 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.287 -2.132 -9.579 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.869 -1.320 -9.498 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.766 -3.017 -10.026 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.716 -3.927 -8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.221 -4.814 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.805 -4.382 -6.711 1.00 0.00 H new ATOM 743 N LYS A 50 11.167 -0.762 -7.401 1.00 0.00 N ATOM 744 CA LYS A 50 12.102 0.282 -7.879 1.00 0.00 C ATOM 745 C LYS A 50 13.565 -0.205 -7.957 1.00 0.00 C ATOM 746 O LYS A 50 14.386 0.404 -8.646 1.00 0.00 O ATOM 747 CB LYS A 50 11.951 1.530 -6.986 1.00 0.00 C ATOM 748 CG LYS A 50 12.482 2.831 -7.609 1.00 0.00 C ATOM 749 CD LYS A 50 12.619 3.972 -6.586 1.00 0.00 C ATOM 750 CE LYS A 50 11.320 4.240 -5.816 1.00 0.00 C ATOM 751 NZ LYS A 50 11.438 5.446 -4.953 1.00 0.00 N ATOM 0 H LYS A 50 10.720 -0.535 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 50 11.839 0.537 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.896 1.662 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.473 1.353 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.454 2.640 -8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.811 3.145 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.411 3.726 -5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.924 4.882 -7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.499 4.374 -6.520 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.075 3.374 -5.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.543 5.599 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.206 5.307 -4.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.648 6.276 -5.543 1.00 0.00 H new ATOM 765 N TYR A 51 13.882 -1.320 -7.292 1.00 0.00 N ATOM 766 CA TYR A 51 15.238 -1.843 -7.093 1.00 0.00 C ATOM 767 C TYR A 51 15.450 -3.253 -7.684 1.00 0.00 C ATOM 768 O TYR A 51 16.541 -3.547 -8.172 1.00 0.00 O ATOM 769 CB TYR A 51 15.547 -1.833 -5.585 1.00 0.00 C ATOM 770 CG TYR A 51 15.513 -0.463 -4.919 1.00 0.00 C ATOM 771 CD1 TYR A 51 14.283 0.126 -4.561 1.00 0.00 C ATOM 772 CD2 TYR A 51 16.713 0.223 -4.645 1.00 0.00 C ATOM 773 CE1 TYR A 51 14.242 1.389 -3.943 1.00 0.00 C ATOM 774 CE2 TYR A 51 16.681 1.485 -4.017 1.00 0.00 C ATOM 775 CZ TYR A 51 15.446 2.072 -3.661 1.00 0.00 C ATOM 776 OH TYR A 51 15.425 3.291 -3.057 1.00 0.00 O ATOM 0 H TYR A 51 13.170 -1.908 -6.859 1.00 0.00 H new ATOM 0 HA TYR A 51 15.927 -1.196 -7.635 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.830 -2.481 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.534 -2.268 -5.431 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.361 -0.399 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 51 17.660 -0.219 -4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.293 1.835 -3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 51 17.604 2.005 -3.807 1.00 0.00 H new ATOM 0 HH TYR A 51 16.343 3.613 -2.939 1.00 0.00 H new ATOM 786 N GLU A 52 14.429 -4.120 -7.676 1.00 0.00 N ATOM 787 CA GLU A 52 14.529 -5.558 -8.000 1.00 0.00 C ATOM 788 C GLU A 52 13.464 -6.076 -8.991 1.00 0.00 C ATOM 789 O GLU A 52 13.170 -7.273 -9.031 1.00 0.00 O ATOM 790 CB GLU A 52 14.530 -6.388 -6.696 1.00 0.00 C ATOM 791 CG GLU A 52 15.603 -6.017 -5.656 1.00 0.00 C ATOM 792 CD GLU A 52 17.056 -6.197 -6.148 1.00 0.00 C ATOM 793 OE1 GLU A 52 17.332 -7.086 -6.991 1.00 0.00 O ATOM 794 OE2 GLU A 52 17.955 -5.480 -5.644 1.00 0.00 O ATOM 0 H GLU A 52 13.479 -3.836 -7.437 1.00 0.00 H new ATOM 0 HA GLU A 52 15.475 -5.684 -8.527 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.551 -6.291 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.656 -7.438 -6.958 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.459 -4.979 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.455 -6.628 -4.765 1.00 0.00 H new ATOM 801 N ALA A 53 12.896 -5.198 -9.822 1.00 0.00 N ATOM 802 CA ALA A 53 12.028 -5.558 -10.949 1.00 0.00 C ATOM 803 C ALA A 53 12.663 -6.604 -11.898 1.00 0.00 C ATOM 804 O ALA A 53 13.597 -6.298 -12.648 1.00 0.00 O ATOM 805 CB ALA A 53 11.668 -4.275 -11.701 1.00 0.00 C ATOM 0 H ALA A 53 13.030 -4.191 -9.728 1.00 0.00 H new ATOM 0 HA ALA A 53 11.131 -6.036 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.022 -4.517 -12.545 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.147 -3.593 -11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 53 12.578 -3.799 -12.066 1.00 0.00 H new ATOM 811 N GLN A 54 12.161 -7.844 -11.869 1.00 0.00 N ATOM 812 CA GLN A 54 12.602 -8.942 -12.739 1.00 0.00 C ATOM 813 C GLN A 54 11.988 -8.816 -14.147 1.00 0.00 C ATOM 814 O GLN A 54 10.820 -9.151 -14.366 1.00 0.00 O ATOM 815 CB GLN A 54 12.262 -10.302 -12.098 1.00 0.00 C ATOM 816 CG GLN A 54 13.040 -10.548 -10.796 1.00 0.00 C ATOM 817 CD GLN A 54 12.802 -11.954 -10.252 1.00 0.00 C ATOM 818 OE1 GLN A 54 11.882 -12.212 -9.486 1.00 0.00 O ATOM 819 NE2 GLN A 54 13.616 -12.925 -10.621 1.00 0.00 N ATOM 0 H GLN A 54 11.419 -8.119 -11.225 1.00 0.00 H new ATOM 0 HA GLN A 54 13.684 -8.880 -12.850 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.192 -10.346 -11.893 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.484 -11.100 -12.807 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.105 -10.403 -10.976 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.740 -9.813 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.388 -12.729 -11.258 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.473 -13.872 -10.269 1.00 0.00 H new ATOM 828 N GLY A 55 12.784 -8.332 -15.105 1.00 0.00 N ATOM 829 CA GLY A 55 12.398 -8.126 -16.508 1.00 0.00 C ATOM 830 C GLY A 55 11.644 -6.815 -16.773 1.00 0.00 C ATOM 831 O GLY A 55 11.245 -6.092 -15.855 1.00 0.00 O ATOM 0 H GLY A 55 13.750 -8.063 -14.920 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.296 -8.146 -17.126 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.774 -8.961 -16.827 1.00 0.00 H new ATOM 835 N ASP A 56 11.451 -6.497 -18.057 1.00 0.00 N ATOM 836 CA ASP A 56 10.742 -5.293 -18.517 1.00 0.00 C ATOM 837 C ASP A 56 9.227 -5.343 -18.216 1.00 0.00 C ATOM 838 O ASP A 56 8.635 -6.422 -18.117 1.00 0.00 O ATOM 839 CB ASP A 56 11.007 -5.114 -20.022 1.00 0.00 C ATOM 840 CG ASP A 56 10.449 -3.794 -20.585 1.00 0.00 C ATOM 841 OD1 ASP A 56 10.482 -2.766 -19.867 1.00 0.00 O ATOM 842 OD2 ASP A 56 9.979 -3.782 -21.748 1.00 0.00 O ATOM 0 H ASP A 56 11.789 -7.079 -18.823 1.00 0.00 H new ATOM 0 HA ASP A 56 11.124 -4.433 -17.966 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.081 -5.153 -20.202 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.563 -5.949 -20.564 1.00 0.00 H new ATOM 847 N LYS A 57 8.595 -4.163 -18.099 1.00 0.00 N ATOM 848 CA LYS A 57 7.167 -3.862 -17.833 1.00 0.00 C ATOM 849 C LYS A 57 6.546 -4.443 -16.546 1.00 0.00 C ATOM 850 O LYS A 57 5.583 -3.870 -16.035 1.00 0.00 O ATOM 851 CB LYS A 57 6.351 -4.202 -19.102 1.00 0.00 C ATOM 852 CG LYS A 57 4.903 -3.680 -19.145 1.00 0.00 C ATOM 853 CD LYS A 57 4.806 -2.145 -19.081 1.00 0.00 C ATOM 854 CE LYS A 57 3.369 -1.634 -19.266 1.00 0.00 C ATOM 855 NZ LYS A 57 2.877 -1.808 -20.659 1.00 0.00 N ATOM 0 H LYS A 57 9.126 -3.298 -18.199 1.00 0.00 H new ATOM 0 HA LYS A 57 7.124 -2.795 -17.612 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.883 -3.805 -19.967 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.327 -5.286 -19.212 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.425 -4.029 -20.060 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.345 -4.107 -18.312 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.189 -1.800 -18.120 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.443 -1.712 -19.852 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.707 -2.165 -18.582 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.325 -0.578 -18.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.930 -1.387 -20.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.529 -1.337 -21.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.828 -2.822 -20.886 1.00 0.00 H new ATOM 869 N ALA A 58 7.117 -5.494 -15.958 1.00 0.00 N ATOM 870 CA ALA A 58 6.628 -6.203 -14.768 1.00 0.00 C ATOM 871 C ALA A 58 6.368 -5.294 -13.547 1.00 0.00 C ATOM 872 O ALA A 58 5.454 -5.556 -12.762 1.00 0.00 O ATOM 873 CB ALA A 58 7.638 -7.310 -14.435 1.00 0.00 C ATOM 0 H ALA A 58 7.982 -5.899 -16.317 1.00 0.00 H new ATOM 0 HA ALA A 58 5.649 -6.620 -15.003 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.302 -7.856 -13.553 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.717 -7.996 -15.278 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.613 -6.865 -14.236 1.00 0.00 H new ATOM 879 N LYS A 59 7.111 -4.186 -13.423 1.00 0.00 N ATOM 880 CA LYS A 59 6.933 -3.128 -12.409 1.00 0.00 C ATOM 881 C LYS A 59 5.516 -2.554 -12.321 1.00 0.00 C ATOM 882 O LYS A 59 5.073 -2.173 -11.237 1.00 0.00 O ATOM 883 CB LYS A 59 7.988 -2.022 -12.631 1.00 0.00 C ATOM 884 CG LYS A 59 7.887 -1.310 -13.990 1.00 0.00 C ATOM 885 CD LYS A 59 8.966 -0.233 -14.185 1.00 0.00 C ATOM 886 CE LYS A 59 10.377 -0.833 -14.284 1.00 0.00 C ATOM 887 NZ LYS A 59 11.394 0.212 -14.577 1.00 0.00 N ATOM 0 H LYS A 59 7.889 -3.990 -14.053 1.00 0.00 H new ATOM 0 HA LYS A 59 7.086 -3.598 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.891 -1.280 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.981 -2.461 -12.538 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.970 -2.048 -14.788 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.903 -0.851 -14.081 1.00 0.00 H new ATOM 0 HD2 LYS A 59 8.750 0.334 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.930 0.469 -13.352 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.627 -1.334 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.397 -1.591 -15.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 12.335 -0.227 -14.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.168 0.672 -15.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 11.391 0.922 -13.817 1.00 0.00 H new ATOM 901 N GLN A 60 4.779 -2.529 -13.434 1.00 0.00 N ATOM 902 CA GLN A 60 3.427 -1.967 -13.506 1.00 0.00 C ATOM 903 C GLN A 60 2.413 -2.758 -12.650 1.00 0.00 C ATOM 904 O GLN A 60 1.410 -2.199 -12.210 1.00 0.00 O ATOM 905 CB GLN A 60 3.010 -1.880 -14.990 1.00 0.00 C ATOM 906 CG GLN A 60 2.052 -0.720 -15.329 1.00 0.00 C ATOM 907 CD GLN A 60 0.626 -0.855 -14.793 1.00 0.00 C ATOM 908 OE1 GLN A 60 0.126 -0.008 -14.064 1.00 0.00 O ATOM 909 NE2 GLN A 60 -0.101 -1.889 -15.164 1.00 0.00 N ATOM 0 H GLN A 60 5.109 -2.904 -14.323 1.00 0.00 H new ATOM 0 HA GLN A 60 3.432 -0.964 -13.078 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.908 -1.780 -15.599 1.00 0.00 H new ATOM 0 HB3 GLN A 60 2.535 -2.819 -15.274 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.480 0.204 -14.941 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.004 -0.619 -16.413 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.301 -2.603 -15.771 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.066 -1.975 -14.844 1.00 0.00 H new ATOM 918 N SER A 61 2.699 -4.029 -12.337 1.00 0.00 N ATOM 919 CA SER A 61 1.867 -4.893 -11.481 1.00 0.00 C ATOM 920 C SER A 61 1.544 -4.269 -10.115 1.00 0.00 C ATOM 921 O SER A 61 0.378 -4.259 -9.707 1.00 0.00 O ATOM 922 CB SER A 61 2.515 -6.274 -11.309 1.00 0.00 C ATOM 923 OG SER A 61 3.779 -6.192 -10.673 1.00 0.00 O ATOM 0 H SER A 61 3.537 -4.499 -12.680 1.00 0.00 H new ATOM 0 HA SER A 61 0.914 -5.007 -11.997 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.855 -6.914 -10.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.630 -6.745 -12.285 1.00 0.00 H new ATOM 0 HG SER A 61 4.465 -5.968 -11.336 1.00 0.00 H new ATOM 929 N ILE A 62 2.543 -3.716 -9.411 1.00 0.00 N ATOM 930 CA ILE A 62 2.312 -2.925 -8.192 1.00 0.00 C ATOM 931 C ILE A 62 1.949 -1.470 -8.468 1.00 0.00 C ATOM 932 O ILE A 62 1.229 -0.895 -7.657 1.00 0.00 O ATOM 933 CB ILE A 62 3.429 -3.052 -7.135 1.00 0.00 C ATOM 934 CG1 ILE A 62 4.719 -2.250 -7.405 1.00 0.00 C ATOM 935 CG2 ILE A 62 3.782 -4.531 -6.891 1.00 0.00 C ATOM 936 CD1 ILE A 62 4.626 -0.753 -7.084 1.00 0.00 C ATOM 0 H ILE A 62 3.526 -3.803 -9.667 1.00 0.00 H new ATOM 0 HA ILE A 62 1.429 -3.384 -7.747 1.00 0.00 H new ATOM 0 HB ILE A 62 2.995 -2.597 -6.244 1.00 0.00 H new ATOM 0 HG12 ILE A 62 5.529 -2.683 -6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.989 -2.366 -8.455 1.00 0.00 H new ATOM 0 HG21 ILE A 62 4.572 -4.598 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.899 -5.062 -6.535 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.126 -4.981 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.579 -0.273 -7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.842 -0.299 -7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.390 -0.621 -6.028 1.00 0.00 H new ATOM 948 N ARG A 63 2.361 -0.858 -9.591 1.00 0.00 N ATOM 949 CA ARG A 63 1.939 0.526 -9.905 1.00 0.00 C ATOM 950 C ARG A 63 0.416 0.655 -9.953 1.00 0.00 C ATOM 951 O ARG A 63 -0.130 1.646 -9.470 1.00 0.00 O ATOM 952 CB ARG A 63 2.496 1.046 -11.246 1.00 0.00 C ATOM 953 CG ARG A 63 4.015 1.251 -11.341 1.00 0.00 C ATOM 954 CD ARG A 63 4.641 2.068 -10.206 1.00 0.00 C ATOM 955 NE ARG A 63 3.831 3.252 -9.832 1.00 0.00 N ATOM 956 CZ ARG A 63 4.190 4.294 -9.107 1.00 0.00 C ATOM 957 NH1 ARG A 63 5.423 4.491 -8.736 1.00 0.00 N ATOM 958 NH2 ARG A 63 3.297 5.165 -8.735 1.00 0.00 N ATOM 0 H ARG A 63 2.973 -1.285 -10.286 1.00 0.00 H new ATOM 0 HA ARG A 63 2.350 1.129 -9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.199 0.348 -12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.012 1.997 -11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.495 0.273 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.239 1.744 -12.287 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.766 1.429 -9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.636 2.395 -10.507 1.00 0.00 H new ATOM 0 HE ARG A 63 2.872 3.262 -10.180 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.149 3.827 -9.006 1.00 0.00 H new ATOM 0 HH12 ARG A 63 5.662 5.309 -8.175 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.321 5.041 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.573 5.971 -8.174 1.00 0.00 H new ATOM 972 N ALA A 64 -0.261 -0.375 -10.463 1.00 0.00 N ATOM 973 CA ALA A 64 -1.716 -0.510 -10.511 1.00 0.00 C ATOM 974 C ALA A 64 -2.410 -0.538 -9.127 1.00 0.00 C ATOM 975 O ALA A 64 -3.638 -0.419 -9.070 1.00 0.00 O ATOM 976 CB ALA A 64 -2.034 -1.777 -11.317 1.00 0.00 C ATOM 0 H ALA A 64 0.216 -1.178 -10.874 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.120 0.383 -10.988 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.114 -1.910 -11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.627 -1.680 -12.323 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.587 -2.642 -10.827 1.00 0.00 H new ATOM 982 N LYS A 65 -1.657 -0.670 -8.019 1.00 0.00 N ATOM 983 CA LYS A 65 -2.169 -0.649 -6.636 1.00 0.00 C ATOM 984 C LYS A 65 -1.522 0.413 -5.733 1.00 0.00 C ATOM 985 O LYS A 65 -2.236 1.154 -5.059 1.00 0.00 O ATOM 986 CB LYS A 65 -2.186 -2.067 -6.039 1.00 0.00 C ATOM 987 CG LYS A 65 -0.811 -2.661 -5.708 1.00 0.00 C ATOM 988 CD LYS A 65 -0.913 -4.101 -5.183 1.00 0.00 C ATOM 989 CE LYS A 65 -0.522 -5.162 -6.220 1.00 0.00 C ATOM 990 NZ LYS A 65 -1.434 -5.215 -7.395 1.00 0.00 N ATOM 0 H LYS A 65 -0.646 -0.798 -8.063 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.205 -0.314 -6.688 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.785 -2.052 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.690 -2.732 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.186 -2.645 -6.601 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.318 -2.038 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.271 -4.206 -4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.935 -4.287 -4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.492 -4.962 -6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.507 -6.140 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.608 -6.207 -7.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.336 -4.756 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.996 -4.719 -8.197 1.00 0.00 H new ATOM 1004 N CYS A 66 -0.197 0.567 -5.747 1.00 0.00 N ATOM 1005 CA CYS A 66 0.517 1.529 -4.900 1.00 0.00 C ATOM 1006 C CYS A 66 0.055 2.978 -5.134 1.00 0.00 C ATOM 1007 O CYS A 66 -0.158 3.721 -4.177 1.00 0.00 O ATOM 1008 CB CYS A 66 2.035 1.339 -5.056 1.00 0.00 C ATOM 1009 SG CYS A 66 2.692 2.096 -6.570 1.00 0.00 S ATOM 0 H CYS A 66 0.418 0.023 -6.352 1.00 0.00 H new ATOM 0 HA CYS A 66 0.266 1.325 -3.859 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.540 1.770 -4.192 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.264 0.273 -5.060 1.00 0.00 H new ATOM 0 HG CYS A 66 3.414 3.131 -6.259 1.00 0.00 H new ATOM 1015 N THR A 67 -0.195 3.337 -6.398 1.00 0.00 N ATOM 1016 CA THR A 67 -0.673 4.652 -6.853 1.00 0.00 C ATOM 1017 C THR A 67 -2.042 5.026 -6.273 1.00 0.00 C ATOM 1018 O THR A 67 -2.320 6.208 -6.071 1.00 0.00 O ATOM 1019 CB THR A 67 -0.735 4.672 -8.391 1.00 0.00 C ATOM 1020 OG1 THR A 67 0.517 4.307 -8.942 1.00 0.00 O ATOM 1021 CG2 THR A 67 -1.088 6.039 -8.964 1.00 0.00 C ATOM 0 H THR A 67 -0.063 2.687 -7.173 1.00 0.00 H new ATOM 0 HA THR A 67 0.037 5.395 -6.489 1.00 0.00 H new ATOM 0 HB THR A 67 -1.519 3.963 -8.656 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.497 3.362 -9.202 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.114 5.982 -10.052 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.065 6.348 -8.593 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.337 6.767 -8.657 1.00 0.00 H new ATOM 1029 N GLU A 68 -2.891 4.042 -5.956 1.00 0.00 N ATOM 1030 CA GLU A 68 -4.156 4.295 -5.251 1.00 0.00 C ATOM 1031 C GLU A 68 -3.974 4.336 -3.731 1.00 0.00 C ATOM 1032 O GLU A 68 -4.573 5.185 -3.078 1.00 0.00 O ATOM 1033 CB GLU A 68 -5.302 3.355 -5.675 1.00 0.00 C ATOM 1034 CG GLU A 68 -5.287 1.902 -5.163 1.00 0.00 C ATOM 1035 CD GLU A 68 -6.718 1.332 -5.122 1.00 0.00 C ATOM 1036 OE1 GLU A 68 -7.503 1.730 -4.224 1.00 0.00 O ATOM 1037 OE2 GLU A 68 -7.080 0.503 -5.993 1.00 0.00 O ATOM 0 H GLU A 68 -2.726 3.060 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.467 5.291 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.240 3.810 -5.355 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.319 3.323 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.662 1.288 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.845 1.865 -4.167 1.00 0.00 H new ATOM 1044 N TYR A 69 -3.125 3.483 -3.149 1.00 0.00 N ATOM 1045 CA TYR A 69 -2.969 3.399 -1.693 1.00 0.00 C ATOM 1046 C TYR A 69 -2.418 4.693 -1.066 1.00 0.00 C ATOM 1047 O TYR A 69 -2.873 5.114 -0.003 1.00 0.00 O ATOM 1048 CB TYR A 69 -2.047 2.214 -1.358 1.00 0.00 C ATOM 1049 CG TYR A 69 -2.537 0.824 -1.733 1.00 0.00 C ATOM 1050 CD1 TYR A 69 -3.901 0.482 -1.607 1.00 0.00 C ATOM 1051 CD2 TYR A 69 -1.612 -0.145 -2.174 1.00 0.00 C ATOM 1052 CE1 TYR A 69 -4.344 -0.815 -1.922 1.00 0.00 C ATOM 1053 CE2 TYR A 69 -2.059 -1.444 -2.491 1.00 0.00 C ATOM 1054 CZ TYR A 69 -3.422 -1.785 -2.361 1.00 0.00 C ATOM 1055 OH TYR A 69 -3.856 -3.045 -2.644 1.00 0.00 O ATOM 0 H TYR A 69 -2.531 2.836 -3.668 1.00 0.00 H new ATOM 0 HA TYR A 69 -3.960 3.251 -1.265 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.090 2.380 -1.853 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.857 2.227 -0.285 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.610 1.222 -1.266 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.566 0.107 -2.268 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.390 -1.067 -1.827 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.352 -2.184 -2.836 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.098 -3.594 -2.935 1.00 0.00 H new ATOM 1065 N LEU A 70 -1.519 5.390 -1.766 1.00 0.00 N ATOM 1066 CA LEU A 70 -1.010 6.711 -1.377 1.00 0.00 C ATOM 1067 C LEU A 70 -2.044 7.846 -1.500 1.00 0.00 C ATOM 1068 O LEU A 70 -1.923 8.864 -0.819 1.00 0.00 O ATOM 1069 CB LEU A 70 0.281 7.004 -2.157 1.00 0.00 C ATOM 1070 CG LEU A 70 0.177 6.941 -3.693 1.00 0.00 C ATOM 1071 CD1 LEU A 70 -0.290 8.261 -4.298 1.00 0.00 C ATOM 1072 CD2 LEU A 70 1.542 6.557 -4.260 1.00 0.00 C ATOM 0 H LEU A 70 -1.115 5.046 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.788 6.676 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.632 7.998 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.044 6.295 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.571 6.193 -3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.347 8.164 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.274 8.514 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.417 9.050 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.484 6.508 -5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.280 7.304 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.838 5.584 -3.869 1.00 0.00 H new ATOM 1084 N ASP A 71 -3.067 7.676 -2.341 1.00 0.00 N ATOM 1085 CA ASP A 71 -4.132 8.660 -2.571 1.00 0.00 C ATOM 1086 C ASP A 71 -5.326 8.420 -1.634 1.00 0.00 C ATOM 1087 O ASP A 71 -5.930 9.361 -1.120 1.00 0.00 O ATOM 1088 CB ASP A 71 -4.565 8.581 -4.043 1.00 0.00 C ATOM 1089 CG ASP A 71 -5.640 9.628 -4.382 1.00 0.00 C ATOM 1090 OD1 ASP A 71 -5.296 10.829 -4.502 1.00 0.00 O ATOM 1091 OD2 ASP A 71 -6.824 9.252 -4.552 1.00 0.00 O ATOM 0 H ASP A 71 -3.182 6.828 -2.896 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.753 9.658 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.697 8.731 -4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.950 7.584 -4.255 1.00 0.00 H new ATOM 1096 N ARG A 72 -5.628 7.147 -1.354 1.00 0.00 N ATOM 1097 CA ARG A 72 -6.739 6.694 -0.491 1.00 0.00 C ATOM 1098 C ARG A 72 -6.612 7.203 0.952 1.00 0.00 C ATOM 1099 O ARG A 72 -7.615 7.519 1.595 1.00 0.00 O ATOM 1100 CB ARG A 72 -6.792 5.152 -0.535 1.00 0.00 C ATOM 1101 CG ARG A 72 -8.076 4.528 0.043 1.00 0.00 C ATOM 1102 CD ARG A 72 -9.312 4.722 -0.847 1.00 0.00 C ATOM 1103 NE ARG A 72 -9.202 3.976 -2.120 1.00 0.00 N ATOM 1104 CZ ARG A 72 -10.052 3.982 -3.129 1.00 0.00 C ATOM 1105 NH1 ARG A 72 -11.138 4.705 -3.120 1.00 0.00 N ATOM 1106 NH2 ARG A 72 -9.823 3.250 -4.177 1.00 0.00 N ATOM 0 H ARG A 72 -5.088 6.370 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.670 7.114 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.683 4.829 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.936 4.758 0.013 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.914 3.461 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.272 4.964 1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.201 4.392 -0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.443 5.783 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.374 3.390 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.353 5.292 -2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.772 4.684 -3.919 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.985 2.670 -4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.481 3.255 -4.956 1.00 0.00 H new ATOM 1120 N ALA A 73 -5.380 7.380 1.427 1.00 0.00 N ATOM 1121 CA ALA A 73 -5.053 7.981 2.718 1.00 0.00 C ATOM 1122 C ALA A 73 -5.441 9.475 2.825 1.00 0.00 C ATOM 1123 O ALA A 73 -5.730 9.950 3.921 1.00 0.00 O ATOM 1124 CB ALA A 73 -3.546 7.794 2.929 1.00 0.00 C ATOM 0 H ALA A 73 -4.552 7.098 0.903 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.636 7.485 3.494 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.256 8.230 3.885 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.308 6.730 2.928 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.002 8.289 2.125 1.00 0.00 H new ATOM 1130 N GLU A 74 -5.508 10.228 1.720 1.00 0.00 N ATOM 1131 CA GLU A 74 -5.887 11.654 1.748 1.00 0.00 C ATOM 1132 C GLU A 74 -7.351 11.864 2.176 1.00 0.00 C ATOM 1133 O GLU A 74 -7.675 12.876 2.801 1.00 0.00 O ATOM 1134 CB GLU A 74 -5.660 12.313 0.375 1.00 0.00 C ATOM 1135 CG GLU A 74 -4.201 12.306 -0.107 1.00 0.00 C ATOM 1136 CD GLU A 74 -3.328 13.279 0.706 1.00 0.00 C ATOM 1137 OE1 GLU A 74 -2.768 12.873 1.752 1.00 0.00 O ATOM 1138 OE2 GLU A 74 -3.195 14.463 0.309 1.00 0.00 O ATOM 0 H GLU A 74 -5.303 9.873 0.786 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.245 12.126 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.275 11.801 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -6.009 13.345 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.795 11.298 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.165 12.579 -1.162 1.00 0.00 H new ATOM 1145 N LYS A 75 -8.234 10.897 1.887 1.00 0.00 N ATOM 1146 CA LYS A 75 -9.646 10.904 2.303 1.00 0.00 C ATOM 1147 C LYS A 75 -9.806 10.637 3.803 1.00 0.00 C ATOM 1148 O LYS A 75 -10.611 11.294 4.462 1.00 0.00 O ATOM 1149 CB LYS A 75 -10.410 9.876 1.445 1.00 0.00 C ATOM 1150 CG LYS A 75 -11.916 9.733 1.721 1.00 0.00 C ATOM 1151 CD LYS A 75 -12.770 10.954 1.341 1.00 0.00 C ATOM 1152 CE LYS A 75 -12.907 11.971 2.483 1.00 0.00 C ATOM 1153 NZ LYS A 75 -13.851 13.060 2.134 1.00 0.00 N ATOM 0 H LYS A 75 -7.982 10.070 1.346 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.067 11.896 2.139 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.280 10.143 0.396 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.944 8.901 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.288 8.866 1.176 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.057 9.527 2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.326 11.446 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.762 10.617 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.253 11.463 3.383 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.930 12.396 2.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.855 13.772 2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.553 13.505 1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.808 12.668 2.023 1.00 0.00 H new ATOM 1167 N LEU A 76 -8.993 9.735 4.357 1.00 0.00 N ATOM 1168 CA LEU A 76 -8.940 9.435 5.793 1.00 0.00 C ATOM 1169 C LEU A 76 -8.653 10.670 6.651 1.00 0.00 C ATOM 1170 O LEU A 76 -9.235 10.790 7.728 1.00 0.00 O ATOM 1171 CB LEU A 76 -7.900 8.327 6.053 1.00 0.00 C ATOM 1172 CG LEU A 76 -8.411 6.888 6.220 1.00 0.00 C ATOM 1173 CD1 LEU A 76 -9.678 6.555 5.444 1.00 0.00 C ATOM 1174 CD2 LEU A 76 -7.326 5.900 5.800 1.00 0.00 C ATOM 0 H LEU A 76 -8.337 9.179 3.808 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.928 9.085 6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.188 8.336 5.227 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.347 8.592 6.954 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.661 6.804 7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.956 5.517 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.486 7.210 5.769 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.500 6.699 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.695 4.881 5.921 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.064 6.070 4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.443 6.043 6.423 1.00 0.00 H new ATOM 1186 N LYS A 77 -7.823 11.609 6.175 1.00 0.00 N ATOM 1187 CA LYS A 77 -7.419 12.830 6.909 1.00 0.00 C ATOM 1188 C LYS A 77 -8.583 13.750 7.305 1.00 0.00 C ATOM 1189 O LYS A 77 -8.386 14.684 8.083 1.00 0.00 O ATOM 1190 CB LYS A 77 -6.346 13.600 6.116 1.00 0.00 C ATOM 1191 CG LYS A 77 -5.034 12.807 6.042 1.00 0.00 C ATOM 1192 CD LYS A 77 -3.965 13.532 5.218 1.00 0.00 C ATOM 1193 CE LYS A 77 -2.682 12.692 5.200 1.00 0.00 C ATOM 1194 NZ LYS A 77 -1.680 13.251 4.262 1.00 0.00 N ATOM 0 H LYS A 77 -7.401 11.545 5.249 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.999 12.485 7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.710 13.801 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.164 14.565 6.588 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.658 12.635 7.051 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.227 11.828 5.603 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.321 13.694 4.201 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.764 14.514 5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -2.259 12.650 6.204 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -2.920 11.668 4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.806 12.689 4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.057 13.220 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.473 14.236 4.522 1.00 0.00 H new ATOM 1208 N GLU A 78 -9.797 13.490 6.822 1.00 0.00 N ATOM 1209 CA GLU A 78 -11.017 14.149 7.290 1.00 0.00 C ATOM 1210 C GLU A 78 -11.437 13.722 8.707 1.00 0.00 C ATOM 1211 O GLU A 78 -11.924 14.555 9.475 1.00 0.00 O ATOM 1212 CB GLU A 78 -12.146 13.885 6.278 1.00 0.00 C ATOM 1213 CG GLU A 78 -13.456 14.595 6.652 1.00 0.00 C ATOM 1214 CD GLU A 78 -14.544 14.423 5.573 1.00 0.00 C ATOM 1215 OE1 GLU A 78 -14.262 14.646 4.370 1.00 0.00 O ATOM 1216 OE2 GLU A 78 -15.703 14.088 5.919 1.00 0.00 O ATOM 0 H GLU A 78 -9.964 12.806 6.084 1.00 0.00 H new ATOM 0 HA GLU A 78 -10.812 15.217 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.827 14.217 5.290 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -12.325 12.812 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.822 14.201 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.261 15.657 6.802 1.00 0.00 H new ATOM 1223 N TYR A 79 -11.228 12.455 9.071 1.00 0.00 N ATOM 1224 CA TYR A 79 -11.714 11.861 10.327 1.00 0.00 C ATOM 1225 C TYR A 79 -10.592 11.310 11.220 1.00 0.00 C ATOM 1226 O TYR A 79 -10.717 11.358 12.444 1.00 0.00 O ATOM 1227 CB TYR A 79 -12.762 10.765 10.064 1.00 0.00 C ATOM 1228 CG TYR A 79 -13.105 10.472 8.617 1.00 0.00 C ATOM 1229 CD1 TYR A 79 -12.254 9.656 7.843 1.00 0.00 C ATOM 1230 CD2 TYR A 79 -14.283 11.005 8.059 1.00 0.00 C ATOM 1231 CE1 TYR A 79 -12.625 9.332 6.524 1.00 0.00 C ATOM 1232 CE2 TYR A 79 -14.635 10.702 6.731 1.00 0.00 C ATOM 1233 CZ TYR A 79 -13.815 9.849 5.964 1.00 0.00 C ATOM 1234 OH TYR A 79 -14.181 9.528 4.693 1.00 0.00 O ATOM 0 H TYR A 79 -10.706 11.797 8.492 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.181 12.682 10.872 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -12.408 9.841 10.522 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -13.681 11.044 10.580 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.329 9.284 8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.917 11.648 8.652 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.994 8.683 5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.532 11.122 6.300 1.00 0.00 H new ATOM 0 HH TYR A 79 -15.027 9.972 4.474 1.00 0.00 H new ATOM 1244 N LEU A 80 -9.493 10.827 10.621 1.00 0.00 N ATOM 1245 CA LEU A 80 -8.263 10.391 11.288 1.00 0.00 C ATOM 1246 C LEU A 80 -7.818 11.368 12.402 1.00 0.00 C ATOM 1247 O LEU A 80 -7.618 10.965 13.550 1.00 0.00 O ATOM 1248 CB LEU A 80 -7.170 10.234 10.202 1.00 0.00 C ATOM 1249 CG LEU A 80 -6.065 9.191 10.457 1.00 0.00 C ATOM 1250 CD1 LEU A 80 -5.550 9.149 11.891 1.00 0.00 C ATOM 1251 CD2 LEU A 80 -6.567 7.801 10.055 1.00 0.00 C ATOM 0 H LEU A 80 -9.438 10.726 9.607 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.440 9.440 11.790 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.662 9.982 9.263 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.693 11.204 10.061 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.219 9.500 9.843 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.776 8.387 11.977 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.134 10.121 12.157 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.372 8.909 12.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.784 7.065 10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.447 7.547 10.646 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.828 7.800 8.997 1.00 0.00 H new ATOM 1263 N LYS A 81 -7.699 12.651 12.024 1.00 0.00 N ATOM 1264 CA LYS A 81 -7.212 13.815 12.800 1.00 0.00 C ATOM 1265 C LYS A 81 -6.167 13.470 13.885 1.00 0.00 C ATOM 1266 O LYS A 81 -5.014 13.171 13.497 1.00 0.00 O ATOM 1267 CB LYS A 81 -8.408 14.633 13.337 1.00 0.00 C ATOM 1268 CG LYS A 81 -9.348 15.210 12.261 1.00 0.00 C ATOM 1269 CD LYS A 81 -8.615 16.094 11.241 1.00 0.00 C ATOM 1270 CE LYS A 81 -9.611 16.816 10.328 1.00 0.00 C ATOM 1271 NZ LYS A 81 -8.937 17.341 9.112 1.00 0.00 N ATOM 1272 OXT LYS A 81 -6.461 13.555 15.102 1.00 0.00 O ATOM 0 H LYS A 81 -7.965 12.931 11.080 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.652 14.445 12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.992 13.997 14.003 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -8.023 15.456 13.939 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.840 14.390 11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.131 15.794 12.745 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -7.999 16.825 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.942 15.482 10.640 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -10.407 16.130 10.039 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.079 17.637 10.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.605 17.925 8.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -8.119 17.919 9.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.615 16.547 8.523 1.00 0.00 H new TER 1286 LYS A 81