USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 688 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 42 THR OG1 : rot 180:sc= 0.0681 USER MOD Set 1.2: A 45 SER OG : rot 112:sc= 0.0711 USER MOD Set 2.1: A 26 MET CE :methyl -169:sc= -3.74! (180deg=-4.16!) USER MOD Set 2.2: A 27 SER OG : rot 180:sc= 0.0347 USER MOD Set 3.1: A 18 MET CE :methyl -163:sc= 0 (180deg=0) USER MOD Set 3.2: A 20 LYS NZ :NH3+ -170:sc= -0.0105 (180deg=-0.14) USER MOD Set 4.1: A 12 ASN : amide:sc= 0.357 K(o=-0.51,f=-7.5!) USER MOD Set 4.2: A 46 MET CE :methyl -139:sc= -0.0678 (180deg=-1.44) USER MOD Set 4.3: A 88 ASN : amide:sc= -0.799 K(o=-0.51,f=-6.2!) USER MOD Set 5.1: A 11 THR OG1 : rot 180:sc= 0.0923 USER MOD Set 5.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 10 THR OG1 : rot 94:sc= 1.2 USER MOD Set 6.2: A 80 HIS : no HD1:sc= 0.698 K(o=1.9,f=-4.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 139:sc= 0.0794 (180deg=-6.42e-05) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 130:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.67! C(o=-1.7!,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= -0.35! (180deg=-0.35!) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0109) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 178:sc= -1.26 USER MOD Single : A 49 GLN : amide:sc= 0.966 K(o=0.97,f=-0.47) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -46:sc= 0.104 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.00494 USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.1) USER MOD Single : A 77 TYR OH : rot 174:sc= -1.04! USER MOD Single : A 85 THR OG1 : rot 88:sc= -1.64! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.961 0.524 -3.788 1.00 0.00 N ATOM 2 CA MET A 1 -21.283 -0.081 -4.930 1.00 0.00 C ATOM 3 C MET A 1 -20.085 -0.855 -4.440 1.00 0.00 C ATOM 4 O MET A 1 -19.477 -0.494 -3.421 1.00 0.00 O ATOM 5 CB MET A 1 -20.803 0.991 -5.938 1.00 0.00 C ATOM 6 CG MET A 1 -19.745 1.946 -5.380 1.00 0.00 C ATOM 7 SD MET A 1 -19.106 3.114 -6.597 1.00 0.00 S ATOM 8 CE MET A 1 -17.912 4.004 -5.584 1.00 0.00 C ATOM 0 H1 MET A 1 -22.260 1.489 -4.033 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.796 -0.044 -3.539 1.00 0.00 H new ATOM 0 H3 MET A 1 -21.311 0.559 -2.977 1.00 0.00 H new ATOM 0 HA MET A 1 -21.991 -0.738 -5.435 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.398 0.491 -6.818 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.663 1.573 -6.270 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.174 2.502 -4.547 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.916 1.362 -4.980 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.422 4.769 -6.186 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.425 4.475 -4.746 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.164 3.307 -5.206 1.00 0.00 H new ATOM 18 N THR A 2 -19.751 -1.906 -5.126 1.00 0.00 N ATOM 19 CA THR A 2 -18.592 -2.656 -4.791 1.00 0.00 C ATOM 20 C THR A 2 -17.414 -2.113 -5.598 1.00 0.00 C ATOM 21 O THR A 2 -17.399 -2.207 -6.828 1.00 0.00 O ATOM 22 CB THR A 2 -18.803 -4.152 -5.112 1.00 0.00 C ATOM 23 OG1 THR A 2 -20.006 -4.611 -4.457 1.00 0.00 O ATOM 24 CG2 THR A 2 -17.623 -4.982 -4.621 1.00 0.00 C ATOM 0 H THR A 2 -20.274 -2.261 -5.927 1.00 0.00 H new ATOM 0 HA THR A 2 -18.393 -2.562 -3.723 1.00 0.00 H new ATOM 0 HB THR A 2 -18.889 -4.269 -6.192 1.00 0.00 H new ATOM 0 HG1 THR A 2 -20.146 -5.560 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.793 -6.032 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.711 -4.643 -5.111 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.520 -4.865 -3.542 1.00 0.00 H new ATOM 32 N GLU A 3 -16.474 -1.520 -4.911 1.00 0.00 N ATOM 33 CA GLU A 3 -15.291 -0.981 -5.530 1.00 0.00 C ATOM 34 C GLU A 3 -14.139 -1.173 -4.565 1.00 0.00 C ATOM 35 O GLU A 3 -13.927 -0.366 -3.644 1.00 0.00 O ATOM 36 CB GLU A 3 -15.481 0.506 -5.914 1.00 0.00 C ATOM 37 CG GLU A 3 -14.335 1.087 -6.731 1.00 0.00 C ATOM 38 CD GLU A 3 -14.565 2.523 -7.159 1.00 0.00 C ATOM 39 OE1 GLU A 3 -15.292 2.741 -8.150 1.00 0.00 O ATOM 40 OE2 GLU A 3 -14.010 3.454 -6.526 1.00 0.00 O ATOM 0 H GLU A 3 -16.507 -1.396 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.081 -1.505 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -16.406 0.609 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -15.599 1.093 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -13.418 1.033 -6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -14.183 0.472 -7.618 1.00 0.00 H new ATOM 47 N VAL A 4 -13.451 -2.276 -4.734 1.00 0.00 N ATOM 48 CA VAL A 4 -12.387 -2.709 -3.851 1.00 0.00 C ATOM 49 C VAL A 4 -11.219 -3.244 -4.659 1.00 0.00 C ATOM 50 O VAL A 4 -11.356 -3.546 -5.846 1.00 0.00 O ATOM 51 CB VAL A 4 -12.874 -3.855 -2.874 1.00 0.00 C ATOM 52 CG1 VAL A 4 -14.015 -3.395 -1.972 1.00 0.00 C ATOM 53 CG2 VAL A 4 -13.288 -5.107 -3.649 1.00 0.00 C ATOM 0 H VAL A 4 -13.618 -2.917 -5.510 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.083 -1.841 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.024 -4.102 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -14.316 -4.214 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.683 -2.552 -1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -14.863 -3.089 -2.585 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.617 -5.875 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.104 -4.861 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -12.438 -5.478 -4.222 1.00 0.00 H new ATOM 63 N TYR A 5 -10.090 -3.323 -4.028 1.00 0.00 N ATOM 64 CA TYR A 5 -8.909 -3.941 -4.613 1.00 0.00 C ATOM 65 C TYR A 5 -8.451 -5.053 -3.711 1.00 0.00 C ATOM 66 O TYR A 5 -8.302 -4.845 -2.500 1.00 0.00 O ATOM 67 CB TYR A 5 -7.754 -2.945 -4.774 1.00 0.00 C ATOM 68 CG TYR A 5 -8.061 -1.754 -5.634 1.00 0.00 C ATOM 69 CD1 TYR A 5 -8.341 -1.899 -6.984 1.00 0.00 C ATOM 70 CD2 TYR A 5 -8.071 -0.481 -5.096 1.00 0.00 C ATOM 71 CE1 TYR A 5 -8.623 -0.805 -7.770 1.00 0.00 C ATOM 72 CE2 TYR A 5 -8.350 0.613 -5.876 1.00 0.00 C ATOM 73 CZ TYR A 5 -8.625 0.447 -7.211 1.00 0.00 C ATOM 74 OH TYR A 5 -8.905 1.544 -7.989 1.00 0.00 O ATOM 0 H TYR A 5 -9.946 -2.962 -3.085 1.00 0.00 H new ATOM 0 HA TYR A 5 -9.181 -4.310 -5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.456 -2.594 -3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.898 -3.470 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.338 -2.885 -7.425 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.856 -0.345 -4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -8.841 -0.932 -8.820 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.353 1.602 -5.441 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.592 2.089 -7.551 1.00 0.00 H new ATOM 84 N ASP A 6 -8.256 -6.230 -4.267 1.00 0.00 N ATOM 85 CA ASP A 6 -7.727 -7.332 -3.493 1.00 0.00 C ATOM 86 C ASP A 6 -6.250 -7.182 -3.381 1.00 0.00 C ATOM 87 O ASP A 6 -5.532 -7.042 -4.389 1.00 0.00 O ATOM 88 CB ASP A 6 -8.111 -8.709 -4.058 1.00 0.00 C ATOM 89 CG ASP A 6 -7.579 -8.972 -5.449 1.00 0.00 C ATOM 90 OD1 ASP A 6 -8.172 -8.472 -6.424 1.00 0.00 O ATOM 91 OD2 ASP A 6 -6.556 -9.690 -5.582 1.00 0.00 O ATOM 0 H ASP A 6 -8.454 -6.447 -5.244 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.178 -7.292 -2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.740 -9.483 -3.386 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.198 -8.794 -4.073 1.00 0.00 H new ATOM 96 N LEU A 7 -5.795 -7.166 -2.179 1.00 0.00 N ATOM 97 CA LEU A 7 -4.432 -6.947 -1.888 1.00 0.00 C ATOM 98 C LEU A 7 -3.891 -8.072 -1.038 1.00 0.00 C ATOM 99 O LEU A 7 -4.622 -8.697 -0.275 1.00 0.00 O ATOM 100 CB LEU A 7 -4.299 -5.617 -1.149 1.00 0.00 C ATOM 101 CG LEU A 7 -4.799 -4.372 -1.903 1.00 0.00 C ATOM 102 CD1 LEU A 7 -4.677 -3.128 -1.046 1.00 0.00 C ATOM 103 CD2 LEU A 7 -4.040 -4.189 -3.205 1.00 0.00 C ATOM 0 H LEU A 7 -6.378 -7.309 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.858 -6.915 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.845 -5.691 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.249 -5.467 -0.898 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.853 -4.526 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.038 -2.264 -1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.273 -3.249 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.633 -2.974 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -4.410 -3.303 -3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.978 -4.068 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.186 -5.065 -3.838 1.00 0.00 H new ATOM 115 N GLU A 8 -2.628 -8.317 -1.163 1.00 0.00 N ATOM 116 CA GLU A 8 -1.956 -9.327 -0.386 1.00 0.00 C ATOM 117 C GLU A 8 -1.072 -8.622 0.589 1.00 0.00 C ATOM 118 O GLU A 8 -0.242 -7.822 0.204 1.00 0.00 O ATOM 119 CB GLU A 8 -1.134 -10.223 -1.307 1.00 0.00 C ATOM 120 CG GLU A 8 -0.324 -11.301 -0.612 1.00 0.00 C ATOM 121 CD GLU A 8 0.462 -12.150 -1.591 1.00 0.00 C ATOM 122 OE1 GLU A 8 -0.152 -13.004 -2.257 1.00 0.00 O ATOM 123 OE2 GLU A 8 1.698 -11.991 -1.698 1.00 0.00 O ATOM 0 H GLU A 8 -2.019 -7.820 -1.813 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.671 -9.958 0.142 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.808 -10.700 -2.018 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.454 -9.596 -1.884 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.363 -10.837 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.993 -11.940 -0.035 1.00 0.00 H new ATOM 130 N ILE A 9 -1.278 -8.874 1.835 1.00 0.00 N ATOM 131 CA ILE A 9 -0.525 -8.193 2.853 1.00 0.00 C ATOM 132 C ILE A 9 0.644 -9.047 3.283 1.00 0.00 C ATOM 133 O ILE A 9 0.483 -10.251 3.548 1.00 0.00 O ATOM 134 CB ILE A 9 -1.395 -7.877 4.095 1.00 0.00 C ATOM 135 CG1 ILE A 9 -2.685 -7.116 3.711 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.595 -7.095 5.139 1.00 0.00 C ATOM 137 CD1 ILE A 9 -2.453 -5.799 2.991 1.00 0.00 C ATOM 0 H ILE A 9 -1.961 -9.547 2.183 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.175 -7.253 2.427 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.693 -8.829 4.533 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.295 -7.759 3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.260 -6.923 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.229 -6.886 6.001 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.265 -7.685 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.251 -6.156 4.705 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.413 -5.336 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.872 -5.133 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.907 -5.982 2.065 1.00 0.00 H new ATOM 149 N THR A 10 1.796 -8.445 3.330 1.00 0.00 N ATOM 150 CA THR A 10 2.985 -9.095 3.796 1.00 0.00 C ATOM 151 C THR A 10 3.683 -8.224 4.796 1.00 0.00 C ATOM 152 O THR A 10 3.431 -7.010 4.892 1.00 0.00 O ATOM 153 CB THR A 10 3.990 -9.408 2.668 1.00 0.00 C ATOM 154 OG1 THR A 10 4.351 -8.211 1.976 1.00 0.00 O ATOM 155 CG2 THR A 10 3.447 -10.429 1.703 1.00 0.00 C ATOM 0 H THR A 10 1.938 -7.477 3.042 1.00 0.00 H new ATOM 0 HA THR A 10 2.659 -10.037 4.237 1.00 0.00 H new ATOM 0 HB THR A 10 4.881 -9.833 3.130 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.173 -7.844 2.364 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.185 -10.622 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.232 -11.355 2.236 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.531 -10.050 1.250 1.00 0.00 H new ATOM 163 N THR A 11 4.548 -8.818 5.512 1.00 0.00 N ATOM 164 CA THR A 11 5.327 -8.202 6.456 1.00 0.00 C ATOM 165 C THR A 11 6.734 -8.722 6.284 1.00 0.00 C ATOM 166 O THR A 11 6.956 -9.681 5.555 1.00 0.00 O ATOM 167 CB THR A 11 4.826 -8.548 7.853 1.00 0.00 C ATOM 168 OG1 THR A 11 4.660 -9.967 7.971 1.00 0.00 O ATOM 169 CG2 THR A 11 3.541 -7.815 8.220 1.00 0.00 C ATOM 0 H THR A 11 4.730 -9.819 5.435 1.00 0.00 H new ATOM 0 HA THR A 11 5.290 -7.119 6.335 1.00 0.00 H new ATOM 0 HB THR A 11 5.580 -8.210 8.564 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.339 -10.185 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.233 -8.102 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.713 -6.739 8.186 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.756 -8.079 7.511 1.00 0.00 H new ATOM 177 N ASN A 12 7.654 -8.077 6.891 1.00 0.00 N ATOM 178 CA ASN A 12 9.046 -8.497 6.875 1.00 0.00 C ATOM 179 C ASN A 12 9.309 -9.517 7.970 1.00 0.00 C ATOM 180 O ASN A 12 10.310 -10.226 7.944 1.00 0.00 O ATOM 181 CB ASN A 12 9.931 -7.278 7.095 1.00 0.00 C ATOM 182 CG ASN A 12 9.594 -6.583 8.405 1.00 0.00 C ATOM 183 OD1 ASN A 12 8.715 -5.750 8.442 1.00 0.00 O ATOM 184 ND2 ASN A 12 10.284 -6.906 9.464 1.00 0.00 N ATOM 0 H ASN A 12 7.484 -7.227 7.428 1.00 0.00 H new ATOM 0 HA ASN A 12 9.269 -8.957 5.912 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.978 -7.582 7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 12 9.806 -6.580 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.090 -6.453 10.357 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.018 -7.612 9.399 1.00 0.00 H new ATOM 191 N ALA A 13 8.415 -9.579 8.928 1.00 0.00 N ATOM 192 CA ALA A 13 8.588 -10.441 10.054 1.00 0.00 C ATOM 193 C ALA A 13 7.982 -11.809 9.808 1.00 0.00 C ATOM 194 O ALA A 13 8.487 -12.819 10.305 1.00 0.00 O ATOM 195 CB ALA A 13 8.003 -9.801 11.299 1.00 0.00 C ATOM 0 H ALA A 13 7.554 -9.033 8.942 1.00 0.00 H new ATOM 0 HA ALA A 13 9.657 -10.586 10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.141 -10.468 12.150 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.508 -8.855 11.493 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.939 -9.620 11.149 1.00 0.00 H new ATOM 201 N THR A 14 6.933 -11.858 9.033 1.00 0.00 N ATOM 202 CA THR A 14 6.275 -13.105 8.784 1.00 0.00 C ATOM 203 C THR A 14 6.444 -13.445 7.314 1.00 0.00 C ATOM 204 O THR A 14 6.586 -12.561 6.480 1.00 0.00 O ATOM 205 CB THR A 14 4.783 -13.008 9.114 1.00 0.00 C ATOM 206 OG1 THR A 14 4.618 -12.306 10.360 1.00 0.00 O ATOM 207 CG2 THR A 14 4.171 -14.399 9.279 1.00 0.00 C ATOM 0 H THR A 14 6.519 -11.051 8.566 1.00 0.00 H new ATOM 0 HA THR A 14 6.714 -13.878 9.414 1.00 0.00 H new ATOM 0 HB THR A 14 4.287 -12.484 8.297 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.664 -12.240 10.574 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.111 -14.305 9.513 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.289 -14.961 8.353 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.676 -14.925 10.089 1.00 0.00 H new ATOM 215 N ASP A 15 6.412 -14.698 7.013 1.00 0.00 N ATOM 216 CA ASP A 15 6.632 -15.179 5.651 1.00 0.00 C ATOM 217 C ASP A 15 5.321 -15.615 5.039 1.00 0.00 C ATOM 218 O ASP A 15 5.270 -16.131 3.913 1.00 0.00 O ATOM 219 CB ASP A 15 7.630 -16.354 5.631 1.00 0.00 C ATOM 220 CG ASP A 15 9.017 -15.990 6.136 1.00 0.00 C ATOM 221 OD1 ASP A 15 9.822 -15.444 5.360 1.00 0.00 O ATOM 222 OD2 ASP A 15 9.331 -16.277 7.324 1.00 0.00 O ATOM 0 H ASP A 15 6.233 -15.438 7.692 1.00 0.00 H new ATOM 0 HA ASP A 15 7.053 -14.360 5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.233 -17.166 6.240 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.712 -16.731 4.612 1.00 0.00 H new ATOM 227 N PHE A 16 4.264 -15.398 5.773 1.00 0.00 N ATOM 228 CA PHE A 16 2.947 -15.784 5.362 1.00 0.00 C ATOM 229 C PHE A 16 2.163 -14.555 4.898 1.00 0.00 C ATOM 230 O PHE A 16 1.922 -13.630 5.683 1.00 0.00 O ATOM 231 CB PHE A 16 2.222 -16.479 6.527 1.00 0.00 C ATOM 232 CG PHE A 16 0.846 -16.989 6.190 1.00 0.00 C ATOM 233 CD1 PHE A 16 0.686 -18.222 5.584 1.00 0.00 C ATOM 234 CD2 PHE A 16 -0.284 -16.238 6.484 1.00 0.00 C ATOM 235 CE1 PHE A 16 -0.570 -18.699 5.275 1.00 0.00 C ATOM 236 CE2 PHE A 16 -1.542 -16.709 6.176 1.00 0.00 C ATOM 237 CZ PHE A 16 -1.685 -17.942 5.571 1.00 0.00 C ATOM 0 H PHE A 16 4.296 -14.942 6.685 1.00 0.00 H new ATOM 0 HA PHE A 16 3.020 -16.483 4.528 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.831 -17.315 6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.143 -15.779 7.359 1.00 0.00 H new ATOM 0 HD1 PHE A 16 1.556 -18.818 5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.176 -15.274 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.681 -19.664 4.802 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.414 -16.115 6.407 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.670 -18.314 5.329 1.00 0.00 H new ATOM 247 N PRO A 17 1.791 -14.512 3.623 1.00 0.00 N ATOM 248 CA PRO A 17 0.986 -13.443 3.086 1.00 0.00 C ATOM 249 C PRO A 17 -0.492 -13.719 3.296 1.00 0.00 C ATOM 250 O PRO A 17 -0.944 -14.867 3.204 1.00 0.00 O ATOM 251 CB PRO A 17 1.311 -13.451 1.602 1.00 0.00 C ATOM 252 CG PRO A 17 1.860 -14.808 1.296 1.00 0.00 C ATOM 253 CD PRO A 17 2.129 -15.507 2.601 1.00 0.00 C ATOM 0 HA PRO A 17 1.193 -12.487 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.419 -13.250 1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.037 -12.675 1.359 1.00 0.00 H new ATOM 0 HG2 PRO A 17 1.151 -15.379 0.697 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.777 -14.725 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.520 -16.405 2.704 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.171 -15.818 2.678 1.00 0.00 H new ATOM 261 N MET A 18 -1.242 -12.701 3.589 1.00 0.00 N ATOM 262 CA MET A 18 -2.647 -12.892 3.817 1.00 0.00 C ATOM 263 C MET A 18 -3.418 -11.832 3.068 1.00 0.00 C ATOM 264 O MET A 18 -3.182 -10.629 3.269 1.00 0.00 O ATOM 265 CB MET A 18 -2.950 -12.878 5.319 1.00 0.00 C ATOM 266 CG MET A 18 -4.361 -13.300 5.681 1.00 0.00 C ATOM 267 SD MET A 18 -4.619 -13.349 7.466 1.00 0.00 S ATOM 268 CE MET A 18 -6.290 -13.993 7.548 1.00 0.00 C ATOM 0 H MET A 18 -0.913 -11.739 3.676 1.00 0.00 H new ATOM 0 HA MET A 18 -2.959 -13.867 3.441 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.246 -13.539 5.825 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.776 -11.873 5.702 1.00 0.00 H new ATOM 0 HG2 MET A 18 -5.072 -12.607 5.231 1.00 0.00 H new ATOM 0 HG3 MET A 18 -4.564 -14.284 5.259 1.00 0.00 H new ATOM 0 HE1 MET A 18 -6.705 -13.803 8.538 1.00 0.00 H new ATOM 0 HE2 MET A 18 -6.907 -13.501 6.796 1.00 0.00 H new ATOM 0 HE3 MET A 18 -6.276 -15.067 7.361 1.00 0.00 H new ATOM 278 N GLU A 19 -4.313 -12.254 2.200 1.00 0.00 N ATOM 279 CA GLU A 19 -5.035 -11.321 1.371 1.00 0.00 C ATOM 280 C GLU A 19 -6.204 -10.677 2.091 1.00 0.00 C ATOM 281 O GLU A 19 -6.856 -11.291 2.949 1.00 0.00 O ATOM 282 CB GLU A 19 -5.518 -11.953 0.057 1.00 0.00 C ATOM 283 CG GLU A 19 -6.472 -13.119 0.229 1.00 0.00 C ATOM 284 CD GLU A 19 -7.086 -13.552 -1.074 1.00 0.00 C ATOM 285 OE1 GLU A 19 -6.457 -14.342 -1.815 1.00 0.00 O ATOM 286 OE2 GLU A 19 -8.212 -13.103 -1.381 1.00 0.00 O ATOM 0 H GLU A 19 -4.555 -13.234 2.053 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.314 -10.539 1.131 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.008 -11.185 -0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.650 -12.292 -0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -5.939 -13.959 0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.263 -12.839 0.925 1.00 0.00 H new ATOM 293 N LYS A 20 -6.418 -9.442 1.763 1.00 0.00 N ATOM 294 CA LYS A 20 -7.511 -8.660 2.189 1.00 0.00 C ATOM 295 C LYS A 20 -7.790 -7.653 1.123 1.00 0.00 C ATOM 296 O LYS A 20 -6.877 -6.986 0.635 1.00 0.00 O ATOM 297 CB LYS A 20 -7.194 -7.933 3.482 1.00 0.00 C ATOM 298 CG LYS A 20 -7.330 -8.742 4.764 1.00 0.00 C ATOM 299 CD LYS A 20 -8.791 -9.117 5.010 1.00 0.00 C ATOM 300 CE LYS A 20 -8.971 -9.900 6.300 1.00 0.00 C ATOM 301 NZ LYS A 20 -8.234 -11.181 6.279 1.00 0.00 N ATOM 0 H LYS A 20 -5.785 -8.929 1.149 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.371 -9.306 2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.172 -7.558 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.849 -7.065 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.723 -9.645 4.697 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.950 -8.165 5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.396 -8.211 5.049 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.159 -9.710 4.172 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.627 -9.298 7.141 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.031 -10.095 6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.516 -11.757 7.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.455 -11.694 5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.212 -10.994 6.323 1.00 0.00 H new ATOM 315 N LYS A 21 -9.007 -7.550 0.742 1.00 0.00 N ATOM 316 CA LYS A 21 -9.401 -6.613 -0.180 1.00 0.00 C ATOM 317 C LYS A 21 -9.938 -5.398 0.520 1.00 0.00 C ATOM 318 O LYS A 21 -10.692 -5.508 1.499 1.00 0.00 O ATOM 319 CB LYS A 21 -10.382 -7.225 -1.159 1.00 0.00 C ATOM 320 CG LYS A 21 -11.508 -8.047 -0.574 1.00 0.00 C ATOM 321 CD LYS A 21 -12.322 -8.678 -1.688 1.00 0.00 C ATOM 322 CE LYS A 21 -13.385 -9.603 -1.149 1.00 0.00 C ATOM 323 NZ LYS A 21 -14.142 -10.265 -2.222 1.00 0.00 N ATOM 0 H LYS A 21 -9.762 -8.143 1.086 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.544 -6.282 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.820 -6.420 -1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.823 -7.857 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.103 -8.823 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.148 -7.416 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.790 -7.895 -2.285 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.660 -9.233 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.920 -10.358 -0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.071 -9.037 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.861 -10.890 -1.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.608 -9.547 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.493 -10.827 -2.809 1.00 0.00 H new ATOM 337 N TYR A 22 -9.534 -4.256 0.053 1.00 0.00 N ATOM 338 CA TYR A 22 -9.904 -3.008 0.654 1.00 0.00 C ATOM 339 C TYR A 22 -10.538 -2.127 -0.384 1.00 0.00 C ATOM 340 O TYR A 22 -10.189 -2.219 -1.557 1.00 0.00 O ATOM 341 CB TYR A 22 -8.682 -2.308 1.279 1.00 0.00 C ATOM 342 CG TYR A 22 -8.059 -3.054 2.438 1.00 0.00 C ATOM 343 CD1 TYR A 22 -8.599 -2.957 3.710 1.00 0.00 C ATOM 344 CD2 TYR A 22 -6.938 -3.850 2.262 1.00 0.00 C ATOM 345 CE1 TYR A 22 -8.038 -3.629 4.776 1.00 0.00 C ATOM 346 CE2 TYR A 22 -6.372 -4.528 3.322 1.00 0.00 C ATOM 347 CZ TYR A 22 -6.926 -4.412 4.578 1.00 0.00 C ATOM 348 OH TYR A 22 -6.367 -5.090 5.643 1.00 0.00 O ATOM 0 H TYR A 22 -8.932 -4.162 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.618 -3.202 1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -7.926 -2.165 0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -8.981 -1.317 1.620 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -9.474 -2.345 3.870 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.500 -3.941 1.279 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.471 -3.540 5.762 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.500 -5.146 3.168 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.588 -5.599 5.335 1.00 0.00 H new ATOM 358 N PRO A 23 -11.493 -1.282 0.013 1.00 0.00 N ATOM 359 CA PRO A 23 -12.191 -0.396 -0.911 1.00 0.00 C ATOM 360 C PRO A 23 -11.257 0.570 -1.611 1.00 0.00 C ATOM 361 O PRO A 23 -10.301 1.059 -1.023 1.00 0.00 O ATOM 362 CB PRO A 23 -13.165 0.378 -0.023 1.00 0.00 C ATOM 363 CG PRO A 23 -13.293 -0.430 1.213 1.00 0.00 C ATOM 364 CD PRO A 23 -11.981 -1.121 1.394 1.00 0.00 C ATOM 0 HA PRO A 23 -12.675 -0.963 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.788 1.377 0.197 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -14.130 0.503 -0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -13.522 0.203 2.070 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -14.105 -1.152 1.124 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.294 -0.528 1.998 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.098 -2.082 1.895 1.00 0.00 H new ATOM 372 N ALA A 24 -11.554 0.844 -2.863 1.00 0.00 N ATOM 373 CA ALA A 24 -10.780 1.781 -3.674 1.00 0.00 C ATOM 374 C ALA A 24 -10.701 3.167 -3.044 1.00 0.00 C ATOM 375 O ALA A 24 -9.710 3.890 -3.201 1.00 0.00 O ATOM 376 CB ALA A 24 -11.372 1.868 -5.060 1.00 0.00 C ATOM 0 H ALA A 24 -12.342 0.425 -3.357 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.761 1.400 -3.733 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.791 2.568 -5.660 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.350 0.884 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.403 2.215 -4.994 1.00 0.00 H new ATOM 382 N GLY A 25 -11.724 3.505 -2.317 1.00 0.00 N ATOM 383 CA GLY A 25 -11.808 4.796 -1.683 1.00 0.00 C ATOM 384 C GLY A 25 -11.270 4.792 -0.273 1.00 0.00 C ATOM 385 O GLY A 25 -11.383 5.792 0.446 1.00 0.00 O ATOM 0 H GLY A 25 -12.525 2.898 -2.144 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.254 5.524 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.848 5.122 -1.669 1.00 0.00 H new ATOM 389 N MET A 26 -10.692 3.686 0.138 1.00 0.00 N ATOM 390 CA MET A 26 -10.114 3.584 1.460 1.00 0.00 C ATOM 391 C MET A 26 -8.745 4.236 1.455 1.00 0.00 C ATOM 392 O MET A 26 -8.036 4.209 0.444 1.00 0.00 O ATOM 393 CB MET A 26 -10.003 2.120 1.884 1.00 0.00 C ATOM 394 CG MET A 26 -9.495 1.830 3.310 1.00 0.00 C ATOM 395 SD MET A 26 -10.711 2.121 4.650 1.00 0.00 S ATOM 396 CE MET A 26 -10.943 3.901 4.688 1.00 0.00 C ATOM 0 H MET A 26 -10.609 2.841 -0.427 1.00 0.00 H new ATOM 0 HA MET A 26 -10.758 4.096 2.175 1.00 0.00 H new ATOM 0 HB2 MET A 26 -10.987 1.663 1.778 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.340 1.615 1.181 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.169 0.791 3.357 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.617 2.448 3.498 1.00 0.00 H new ATOM 0 HE1 MET A 26 -11.501 4.176 5.583 1.00 0.00 H new ATOM 0 HE2 MET A 26 -9.971 4.394 4.701 1.00 0.00 H new ATOM 0 HE3 MET A 26 -11.498 4.215 3.804 1.00 0.00 H new ATOM 406 N SER A 27 -8.397 4.828 2.551 1.00 0.00 N ATOM 407 CA SER A 27 -7.134 5.482 2.707 1.00 0.00 C ATOM 408 C SER A 27 -6.084 4.496 3.129 1.00 0.00 C ATOM 409 O SER A 27 -6.386 3.457 3.747 1.00 0.00 O ATOM 410 CB SER A 27 -7.254 6.585 3.745 1.00 0.00 C ATOM 411 OG SER A 27 -7.748 6.079 4.976 1.00 0.00 O ATOM 0 H SER A 27 -8.991 4.873 3.379 1.00 0.00 H new ATOM 0 HA SER A 27 -6.841 5.916 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.279 7.047 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.920 7.365 3.376 1.00 0.00 H new ATOM 0 HG SER A 27 -7.814 6.809 5.627 1.00 0.00 H new ATOM 417 N LEU A 28 -4.857 4.805 2.802 1.00 0.00 N ATOM 418 CA LEU A 28 -3.745 3.984 3.186 1.00 0.00 C ATOM 419 C LEU A 28 -3.587 4.081 4.706 1.00 0.00 C ATOM 420 O LEU A 28 -3.169 3.151 5.341 1.00 0.00 O ATOM 421 CB LEU A 28 -2.500 4.480 2.443 1.00 0.00 C ATOM 422 CG LEU A 28 -1.268 3.538 2.309 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.561 3.317 3.620 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.681 2.203 1.704 1.00 0.00 C ATOM 0 H LEU A 28 -4.603 5.633 2.262 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.898 2.937 2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.809 4.760 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.164 5.391 2.938 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.562 4.036 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.290 2.653 3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.210 4.273 4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.250 2.866 4.334 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.807 1.557 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.423 1.727 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.109 2.368 0.715 1.00 0.00 H new ATOM 436 N ASN A 29 -3.989 5.222 5.266 1.00 0.00 N ATOM 437 CA ASN A 29 -3.919 5.445 6.737 1.00 0.00 C ATOM 438 C ASN A 29 -4.795 4.476 7.503 1.00 0.00 C ATOM 439 O ASN A 29 -4.381 3.940 8.531 1.00 0.00 O ATOM 440 CB ASN A 29 -4.276 6.886 7.157 1.00 0.00 C ATOM 441 CG ASN A 29 -3.241 7.921 6.768 1.00 0.00 C ATOM 442 OD1 ASN A 29 -2.051 7.627 6.661 1.00 0.00 O ATOM 443 ND2 ASN A 29 -3.678 9.137 6.567 1.00 0.00 N ATOM 0 H ASN A 29 -4.366 6.010 4.740 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.874 5.269 6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -5.231 7.157 6.708 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.413 6.914 8.238 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.025 9.878 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.672 9.344 6.665 1.00 0.00 H new ATOM 450 N ASP A 30 -5.998 4.235 7.004 1.00 0.00 N ATOM 451 CA ASP A 30 -6.924 3.311 7.671 1.00 0.00 C ATOM 452 C ASP A 30 -6.392 1.905 7.551 1.00 0.00 C ATOM 453 O ASP A 30 -6.432 1.121 8.500 1.00 0.00 O ATOM 454 CB ASP A 30 -8.301 3.379 7.036 1.00 0.00 C ATOM 455 CG ASP A 30 -9.355 2.580 7.795 1.00 0.00 C ATOM 456 OD1 ASP A 30 -9.477 1.356 7.587 1.00 0.00 O ATOM 457 OD2 ASP A 30 -10.095 3.182 8.601 1.00 0.00 O ATOM 0 H ASP A 30 -6.360 4.658 6.149 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.008 3.595 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -8.616 4.421 6.979 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.241 3.008 6.013 1.00 0.00 H new ATOM 462 N LEU A 31 -5.846 1.616 6.377 1.00 0.00 N ATOM 463 CA LEU A 31 -5.289 0.310 6.068 1.00 0.00 C ATOM 464 C LEU A 31 -4.067 0.108 6.978 1.00 0.00 C ATOM 465 O LEU A 31 -3.856 -0.957 7.537 1.00 0.00 O ATOM 466 CB LEU A 31 -4.910 0.281 4.556 1.00 0.00 C ATOM 467 CG LEU A 31 -4.668 -1.092 3.865 1.00 0.00 C ATOM 468 CD1 LEU A 31 -4.457 -0.893 2.377 1.00 0.00 C ATOM 469 CD2 LEU A 31 -3.481 -1.831 4.443 1.00 0.00 C ATOM 0 H LEU A 31 -5.778 2.285 5.610 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.997 -0.499 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.703 0.790 4.008 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.005 0.876 4.432 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.556 -1.699 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.288 -1.859 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.341 -0.424 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.590 -0.252 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.357 -2.782 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.581 -1.229 4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.649 -2.015 5.504 1.00 0.00 H new ATOM 481 N LYS A 32 -3.295 1.165 7.121 1.00 0.00 N ATOM 482 CA LYS A 32 -2.154 1.219 8.026 1.00 0.00 C ATOM 483 C LYS A 32 -2.540 0.954 9.437 1.00 0.00 C ATOM 484 O LYS A 32 -1.952 0.133 10.053 1.00 0.00 O ATOM 485 CB LYS A 32 -1.486 2.589 7.958 1.00 0.00 C ATOM 486 CG LYS A 32 -0.375 2.718 6.953 1.00 0.00 C ATOM 487 CD LYS A 32 0.989 2.615 7.640 1.00 0.00 C ATOM 488 CE LYS A 32 1.156 1.307 8.397 1.00 0.00 C ATOM 489 NZ LYS A 32 2.402 1.270 9.175 1.00 0.00 N ATOM 0 H LYS A 32 -3.442 2.031 6.603 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.464 0.440 7.702 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.248 3.334 7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.090 2.830 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.468 1.937 6.198 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.456 3.673 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.777 2.703 6.893 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.110 3.450 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.308 1.166 9.067 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.146 0.477 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.473 0.360 9.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.214 1.378 8.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.402 2.046 9.868 1.00 0.00 H new ATOM 503 N LYS A 33 -3.520 1.654 9.945 1.00 0.00 N ATOM 504 CA LYS A 33 -3.901 1.497 11.318 1.00 0.00 C ATOM 505 C LYS A 33 -4.477 0.097 11.544 1.00 0.00 C ATOM 506 O LYS A 33 -4.353 -0.456 12.626 1.00 0.00 O ATOM 507 CB LYS A 33 -4.896 2.575 11.703 1.00 0.00 C ATOM 508 CG LYS A 33 -4.970 2.831 13.191 1.00 0.00 C ATOM 509 CD LYS A 33 -3.617 3.313 13.726 1.00 0.00 C ATOM 510 CE LYS A 33 -3.143 4.611 13.050 1.00 0.00 C ATOM 511 NZ LYS A 33 -4.042 5.751 13.319 1.00 0.00 N ATOM 0 H LYS A 33 -4.068 2.339 9.425 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.023 1.605 11.955 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.627 3.502 11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.884 2.290 11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.736 3.578 13.399 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.267 1.918 13.708 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.692 3.474 14.801 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.871 2.534 13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.140 4.853 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.075 4.452 11.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.652 6.611 12.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.981 5.555 12.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.128 5.891 14.346 1.00 0.00 H new ATOM 525 N LYS A 34 -5.100 -0.467 10.508 1.00 0.00 N ATOM 526 CA LYS A 34 -5.569 -1.833 10.546 1.00 0.00 C ATOM 527 C LYS A 34 -4.354 -2.751 10.695 1.00 0.00 C ATOM 528 O LYS A 34 -4.344 -3.667 11.509 1.00 0.00 O ATOM 529 CB LYS A 34 -6.261 -2.156 9.225 1.00 0.00 C ATOM 530 CG LYS A 34 -7.051 -3.450 9.205 1.00 0.00 C ATOM 531 CD LYS A 34 -8.456 -3.279 9.782 1.00 0.00 C ATOM 532 CE LYS A 34 -8.504 -2.829 11.232 1.00 0.00 C ATOM 533 NZ LYS A 34 -9.894 -2.702 11.705 1.00 0.00 N ATOM 0 H LYS A 34 -5.288 0.015 9.629 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.263 -1.973 11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.934 -1.335 8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.506 -2.198 8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.123 -3.814 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.516 -4.209 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.996 -2.553 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.987 -4.227 9.694 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.969 -3.545 11.856 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.993 -1.872 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.896 -2.393 12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.396 -2.001 11.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.372 -3.622 11.628 1.00 0.00 H new ATOM 547 N LEU A 35 -3.328 -2.456 9.919 1.00 0.00 N ATOM 548 CA LEU A 35 -2.082 -3.166 9.952 1.00 0.00 C ATOM 549 C LEU A 35 -1.397 -2.996 11.291 1.00 0.00 C ATOM 550 O LEU A 35 -0.941 -3.953 11.878 1.00 0.00 O ATOM 551 CB LEU A 35 -1.183 -2.669 8.818 1.00 0.00 C ATOM 552 CG LEU A 35 -1.614 -3.023 7.401 1.00 0.00 C ATOM 553 CD1 LEU A 35 -0.591 -2.531 6.398 1.00 0.00 C ATOM 554 CD2 LEU A 35 -1.840 -4.517 7.252 1.00 0.00 C ATOM 0 H LEU A 35 -3.347 -1.698 9.237 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.278 -4.229 9.815 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.111 -1.584 8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.181 -3.067 8.979 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.562 -2.523 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.914 -2.792 5.390 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.494 -1.448 6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.373 -2.998 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.147 -4.738 6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.916 -5.049 7.477 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.620 -4.838 7.942 1.00 0.00 H new ATOM 566 N GLU A 36 -1.363 -1.785 11.764 1.00 0.00 N ATOM 567 CA GLU A 36 -0.764 -1.437 13.014 1.00 0.00 C ATOM 568 C GLU A 36 -1.490 -2.070 14.181 1.00 0.00 C ATOM 569 O GLU A 36 -0.896 -2.352 15.205 1.00 0.00 O ATOM 570 CB GLU A 36 -0.718 0.058 13.149 1.00 0.00 C ATOM 571 CG GLU A 36 0.141 0.735 12.106 1.00 0.00 C ATOM 572 CD GLU A 36 1.515 0.132 11.955 1.00 0.00 C ATOM 573 OE1 GLU A 36 2.349 0.370 12.777 1.00 0.00 O ATOM 574 OE2 GLU A 36 1.758 -0.549 10.931 1.00 0.00 O ATOM 0 H GLU A 36 -1.766 -0.987 11.272 1.00 0.00 H new ATOM 0 HA GLU A 36 0.253 -1.828 13.030 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.732 0.451 13.083 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.341 0.313 14.139 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.371 0.691 11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.245 1.789 12.364 1.00 0.00 H new ATOM 581 N LEU A 37 -2.768 -2.261 14.032 1.00 0.00 N ATOM 582 CA LEU A 37 -3.566 -2.955 15.028 1.00 0.00 C ATOM 583 C LEU A 37 -3.124 -4.426 15.110 1.00 0.00 C ATOM 584 O LEU A 37 -3.100 -5.029 16.182 1.00 0.00 O ATOM 585 CB LEU A 37 -5.053 -2.860 14.663 1.00 0.00 C ATOM 586 CG LEU A 37 -6.042 -3.512 15.629 1.00 0.00 C ATOM 587 CD1 LEU A 37 -5.927 -2.907 17.019 1.00 0.00 C ATOM 588 CD2 LEU A 37 -7.454 -3.362 15.103 1.00 0.00 C ATOM 0 H LEU A 37 -3.297 -1.944 13.220 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.418 -2.489 16.002 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.313 -1.806 14.570 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.191 -3.310 13.680 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.801 -4.572 15.704 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.642 -3.389 17.686 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.917 -3.058 17.399 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.140 -1.839 16.970 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.152 -3.829 15.797 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -7.695 -2.304 15.004 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.533 -3.845 14.129 1.00 0.00 H new ATOM 600 N VAL A 38 -2.745 -4.970 13.971 1.00 0.00 N ATOM 601 CA VAL A 38 -2.315 -6.354 13.865 1.00 0.00 C ATOM 602 C VAL A 38 -0.814 -6.511 14.221 1.00 0.00 C ATOM 603 O VAL A 38 -0.416 -7.483 14.869 1.00 0.00 O ATOM 604 CB VAL A 38 -2.586 -6.907 12.428 1.00 0.00 C ATOM 605 CG1 VAL A 38 -2.112 -8.341 12.282 1.00 0.00 C ATOM 606 CG2 VAL A 38 -4.067 -6.815 12.092 1.00 0.00 C ATOM 0 H VAL A 38 -2.726 -4.463 13.086 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.896 -6.933 14.583 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.020 -6.291 11.729 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.317 -8.691 11.270 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.040 -8.391 12.473 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.638 -8.973 12.998 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.237 -7.204 11.088 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.640 -7.401 12.810 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.386 -5.774 12.136 1.00 0.00 H new ATOM 616 N VAL A 39 -0.002 -5.555 13.804 1.00 0.00 N ATOM 617 CA VAL A 39 1.442 -5.606 14.050 1.00 0.00 C ATOM 618 C VAL A 39 1.799 -5.023 15.420 1.00 0.00 C ATOM 619 O VAL A 39 2.785 -5.410 16.036 1.00 0.00 O ATOM 620 CB VAL A 39 2.252 -4.902 12.909 1.00 0.00 C ATOM 621 CG1 VAL A 39 3.750 -5.076 13.107 1.00 0.00 C ATOM 622 CG2 VAL A 39 1.845 -5.445 11.544 1.00 0.00 C ATOM 0 H VAL A 39 -0.312 -4.729 13.292 1.00 0.00 H new ATOM 0 HA VAL A 39 1.728 -6.658 14.052 1.00 0.00 H new ATOM 0 HB VAL A 39 2.020 -3.838 12.952 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.284 -4.576 12.299 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.044 -4.639 14.061 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.997 -6.138 13.103 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.420 -4.942 10.766 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.042 -6.516 11.505 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.782 -5.265 11.383 1.00 0.00 H new ATOM 632 N GLY A 40 0.985 -4.120 15.898 1.00 0.00 N ATOM 633 CA GLY A 40 1.217 -3.527 17.195 1.00 0.00 C ATOM 634 C GLY A 40 2.286 -2.463 17.155 1.00 0.00 C ATOM 635 O GLY A 40 2.770 -2.017 18.199 1.00 0.00 O ATOM 0 H GLY A 40 0.156 -3.777 15.413 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.288 -3.092 17.565 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.508 -4.305 17.901 1.00 0.00 H new ATOM 639 N THR A 41 2.658 -2.049 15.972 1.00 0.00 N ATOM 640 CA THR A 41 3.703 -1.042 15.817 1.00 0.00 C ATOM 641 C THR A 41 3.055 0.364 15.609 1.00 0.00 C ATOM 642 O THR A 41 1.819 0.508 15.738 1.00 0.00 O ATOM 643 CB THR A 41 4.616 -1.463 14.627 1.00 0.00 C ATOM 644 OG1 THR A 41 4.998 -2.828 14.839 1.00 0.00 O ATOM 645 CG2 THR A 41 5.903 -0.647 14.551 1.00 0.00 C ATOM 0 H THR A 41 2.260 -2.387 15.096 1.00 0.00 H new ATOM 0 HA THR A 41 4.320 -0.974 16.713 1.00 0.00 H new ATOM 0 HB THR A 41 4.056 -1.305 13.705 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.548 -3.134 14.088 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.499 -0.985 13.703 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.658 0.408 14.425 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.473 -0.780 15.471 1.00 0.00 H new ATOM 653 N THR A 42 3.866 1.384 15.397 1.00 0.00 N ATOM 654 CA THR A 42 3.398 2.703 15.096 1.00 0.00 C ATOM 655 C THR A 42 3.680 3.025 13.621 1.00 0.00 C ATOM 656 O THR A 42 4.572 2.427 13.001 1.00 0.00 O ATOM 657 CB THR A 42 4.066 3.743 16.010 1.00 0.00 C ATOM 658 OG1 THR A 42 5.487 3.576 15.962 1.00 0.00 O ATOM 659 CG2 THR A 42 3.585 3.601 17.447 1.00 0.00 C ATOM 0 H THR A 42 4.882 1.307 15.432 1.00 0.00 H new ATOM 0 HA THR A 42 2.323 2.743 15.273 1.00 0.00 H new ATOM 0 HB THR A 42 3.795 4.737 15.655 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.914 4.240 16.543 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.074 4.349 18.070 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.505 3.747 17.485 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.830 2.605 17.816 1.00 0.00 H new ATOM 667 N VAL A 43 2.956 3.989 13.084 1.00 0.00 N ATOM 668 CA VAL A 43 3.013 4.320 11.658 1.00 0.00 C ATOM 669 C VAL A 43 4.419 4.731 11.178 1.00 0.00 C ATOM 670 O VAL A 43 4.833 4.340 10.088 1.00 0.00 O ATOM 671 CB VAL A 43 1.958 5.410 11.280 1.00 0.00 C ATOM 672 CG1 VAL A 43 2.062 5.817 9.812 1.00 0.00 C ATOM 673 CG2 VAL A 43 0.549 4.916 11.586 1.00 0.00 C ATOM 0 H VAL A 43 2.309 4.570 13.618 1.00 0.00 H new ATOM 0 HA VAL A 43 2.765 3.398 11.133 1.00 0.00 H new ATOM 0 HB VAL A 43 2.170 6.291 11.886 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.312 6.576 9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.055 6.221 9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.893 4.945 9.180 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.173 5.687 11.317 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.347 4.013 11.010 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.464 4.695 12.650 1.00 0.00 H new ATOM 683 N ASP A 44 5.151 5.478 11.977 1.00 0.00 N ATOM 684 CA ASP A 44 6.485 5.919 11.550 1.00 0.00 C ATOM 685 C ASP A 44 7.477 4.762 11.545 1.00 0.00 C ATOM 686 O ASP A 44 8.378 4.693 10.698 1.00 0.00 O ATOM 687 CB ASP A 44 7.017 7.067 12.410 1.00 0.00 C ATOM 688 CG ASP A 44 8.372 7.576 11.929 1.00 0.00 C ATOM 689 OD1 ASP A 44 8.412 8.353 10.942 1.00 0.00 O ATOM 690 OD2 ASP A 44 9.409 7.217 12.522 1.00 0.00 O ATOM 0 H ASP A 44 4.865 5.792 12.904 1.00 0.00 H new ATOM 0 HA ASP A 44 6.377 6.290 10.531 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.299 7.887 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.104 6.733 13.444 1.00 0.00 H new ATOM 695 N SER A 45 7.277 3.836 12.447 1.00 0.00 N ATOM 696 CA SER A 45 8.141 2.729 12.610 1.00 0.00 C ATOM 697 C SER A 45 7.805 1.566 11.659 1.00 0.00 C ATOM 698 O SER A 45 8.549 0.588 11.576 1.00 0.00 O ATOM 699 CB SER A 45 8.061 2.298 14.045 1.00 0.00 C ATOM 700 OG SER A 45 8.456 3.353 14.913 1.00 0.00 O ATOM 0 H SER A 45 6.489 3.844 13.095 1.00 0.00 H new ATOM 0 HA SER A 45 9.157 3.028 12.353 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.042 1.990 14.280 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.701 1.431 14.205 1.00 0.00 H new ATOM 0 HG SER A 45 7.679 3.666 15.422 1.00 0.00 H new ATOM 706 N MET A 46 6.721 1.681 10.947 1.00 0.00 N ATOM 707 CA MET A 46 6.317 0.628 10.029 1.00 0.00 C ATOM 708 C MET A 46 5.968 1.264 8.685 1.00 0.00 C ATOM 709 O MET A 46 4.956 1.964 8.562 1.00 0.00 O ATOM 710 CB MET A 46 5.094 -0.085 10.585 1.00 0.00 C ATOM 711 CG MET A 46 4.867 -1.485 10.027 1.00 0.00 C ATOM 712 SD MET A 46 6.196 -2.620 10.498 1.00 0.00 S ATOM 713 CE MET A 46 5.636 -4.155 9.770 1.00 0.00 C ATOM 0 H MET A 46 6.096 2.486 10.976 1.00 0.00 H new ATOM 0 HA MET A 46 7.126 -0.092 9.904 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.190 -0.151 11.669 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.212 0.521 10.380 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.914 -1.871 10.390 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.799 -1.436 8.940 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.824 -4.976 10.462 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.567 -4.092 9.564 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.175 -4.334 8.839 1.00 0.00 H new ATOM 723 N ARG A 47 6.759 1.001 7.691 1.00 0.00 N ATOM 724 CA ARG A 47 6.634 1.687 6.404 1.00 0.00 C ATOM 725 C ARG A 47 5.996 0.764 5.350 1.00 0.00 C ATOM 726 O ARG A 47 6.229 -0.441 5.353 1.00 0.00 O ATOM 727 CB ARG A 47 8.004 2.219 5.969 1.00 0.00 C ATOM 728 CG ARG A 47 7.969 3.248 4.852 1.00 0.00 C ATOM 729 CD ARG A 47 9.352 3.839 4.619 1.00 0.00 C ATOM 730 NE ARG A 47 10.300 2.863 4.073 1.00 0.00 N ATOM 731 CZ ARG A 47 11.474 2.533 4.612 1.00 0.00 C ATOM 732 NH1 ARG A 47 11.848 3.037 5.782 1.00 0.00 N ATOM 733 NH2 ARG A 47 12.269 1.690 3.972 1.00 0.00 N ATOM 0 H ARG A 47 7.511 0.313 7.729 1.00 0.00 H new ATOM 0 HA ARG A 47 5.965 2.541 6.510 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.497 2.662 6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.618 1.378 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.608 2.783 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.267 4.042 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.271 4.683 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.740 4.228 5.560 1.00 0.00 H new ATOM 0 HE ARG A 47 10.039 2.396 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.235 3.684 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.748 2.777 6.185 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.981 1.299 3.075 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.169 1.431 4.376 1.00 0.00 H new ATOM 747 N ILE A 48 5.161 1.327 4.483 1.00 0.00 N ATOM 748 CA ILE A 48 4.402 0.531 3.523 1.00 0.00 C ATOM 749 C ILE A 48 4.986 0.582 2.110 1.00 0.00 C ATOM 750 O ILE A 48 5.133 1.658 1.518 1.00 0.00 O ATOM 751 CB ILE A 48 2.914 0.979 3.487 1.00 0.00 C ATOM 752 CG1 ILE A 48 2.251 0.756 4.846 1.00 0.00 C ATOM 753 CG2 ILE A 48 2.138 0.262 2.388 1.00 0.00 C ATOM 754 CD1 ILE A 48 2.259 -0.688 5.307 1.00 0.00 C ATOM 0 H ILE A 48 4.992 2.331 4.425 1.00 0.00 H new ATOM 0 HA ILE A 48 4.468 -0.501 3.867 1.00 0.00 H new ATOM 0 HB ILE A 48 2.897 2.045 3.261 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.760 1.367 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.220 1.105 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.102 0.601 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.587 0.485 1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.169 -0.813 2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.771 -0.762 6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.724 -1.304 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.288 -1.038 5.391 1.00 0.00 H new ATOM 766 N GLN A 49 5.288 -0.584 1.580 1.00 0.00 N ATOM 767 CA GLN A 49 5.766 -0.733 0.231 1.00 0.00 C ATOM 768 C GLN A 49 4.772 -1.529 -0.580 1.00 0.00 C ATOM 769 O GLN A 49 4.140 -2.445 -0.068 1.00 0.00 O ATOM 770 CB GLN A 49 7.145 -1.370 0.189 1.00 0.00 C ATOM 771 CG GLN A 49 8.201 -0.513 0.846 1.00 0.00 C ATOM 772 CD GLN A 49 9.586 -1.100 0.768 1.00 0.00 C ATOM 773 OE1 GLN A 49 9.759 -2.313 0.732 1.00 0.00 O ATOM 774 NE2 GLN A 49 10.578 -0.247 0.751 1.00 0.00 N ATOM 0 H GLN A 49 5.205 -1.466 2.086 1.00 0.00 H new ATOM 0 HA GLN A 49 5.864 0.260 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.109 -2.340 0.686 1.00 0.00 H new ATOM 0 HB3 GLN A 49 7.425 -1.554 -0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.205 0.470 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.937 -0.364 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.390 0.755 0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.540 -0.584 0.706 1.00 0.00 H new ATOM 783 N LEU A 50 4.619 -1.176 -1.816 1.00 0.00 N ATOM 784 CA LEU A 50 3.663 -1.832 -2.684 1.00 0.00 C ATOM 785 C LEU A 50 4.415 -2.564 -3.774 1.00 0.00 C ATOM 786 O LEU A 50 5.262 -1.983 -4.467 1.00 0.00 O ATOM 787 CB LEU A 50 2.690 -0.764 -3.282 1.00 0.00 C ATOM 788 CG LEU A 50 1.429 -1.209 -4.095 1.00 0.00 C ATOM 789 CD1 LEU A 50 0.616 0.008 -4.458 1.00 0.00 C ATOM 790 CD2 LEU A 50 1.785 -1.946 -5.361 1.00 0.00 C ATOM 0 H LEU A 50 5.147 -0.427 -2.263 1.00 0.00 H new ATOM 0 HA LEU A 50 3.070 -2.556 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.339 -0.148 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.281 -0.118 -3.931 1.00 0.00 H new ATOM 0 HG LEU A 50 0.861 -1.890 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.264 -0.298 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.302 0.520 -3.549 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.221 0.683 -5.064 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.873 -2.231 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.385 -1.300 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.355 -2.841 -5.113 1.00 0.00 H new ATOM 802 N PHE A 51 4.124 -3.816 -3.917 1.00 0.00 N ATOM 803 CA PHE A 51 4.682 -4.613 -4.971 1.00 0.00 C ATOM 804 C PHE A 51 3.558 -5.023 -5.895 1.00 0.00 C ATOM 805 O PHE A 51 2.470 -5.381 -5.428 1.00 0.00 O ATOM 806 CB PHE A 51 5.378 -5.860 -4.422 1.00 0.00 C ATOM 807 CG PHE A 51 6.575 -5.598 -3.537 1.00 0.00 C ATOM 808 CD1 PHE A 51 6.424 -5.400 -2.175 1.00 0.00 C ATOM 809 CD2 PHE A 51 7.853 -5.571 -4.072 1.00 0.00 C ATOM 810 CE1 PHE A 51 7.525 -5.177 -1.368 1.00 0.00 C ATOM 811 CE2 PHE A 51 8.953 -5.348 -3.268 1.00 0.00 C ATOM 812 CZ PHE A 51 8.789 -5.152 -1.916 1.00 0.00 C ATOM 0 H PHE A 51 3.487 -4.323 -3.302 1.00 0.00 H new ATOM 0 HA PHE A 51 5.431 -4.027 -5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.650 -6.442 -3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.697 -6.477 -5.262 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.436 -5.420 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.990 -5.726 -5.132 1.00 0.00 H new ATOM 0 HE1 PHE A 51 7.394 -5.022 -0.307 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.942 -5.327 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.649 -4.979 -1.286 1.00 0.00 H new ATOM 822 N ASP A 52 3.782 -4.945 -7.177 1.00 0.00 N ATOM 823 CA ASP A 52 2.788 -5.329 -8.138 1.00 0.00 C ATOM 824 C ASP A 52 2.862 -6.821 -8.413 1.00 0.00 C ATOM 825 O ASP A 52 3.425 -7.580 -7.610 1.00 0.00 O ATOM 826 CB ASP A 52 2.936 -4.508 -9.423 1.00 0.00 C ATOM 827 CG ASP A 52 4.301 -4.567 -10.055 1.00 0.00 C ATOM 828 OD1 ASP A 52 5.198 -3.823 -9.605 1.00 0.00 O ATOM 829 OD2 ASP A 52 4.485 -5.308 -11.028 1.00 0.00 O ATOM 0 H ASP A 52 4.657 -4.614 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 52 1.801 -5.118 -7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.200 -4.857 -10.147 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.698 -3.468 -9.202 1.00 0.00 H new ATOM 834 N GLY A 53 2.290 -7.245 -9.519 1.00 0.00 N ATOM 835 CA GLY A 53 2.227 -8.655 -9.854 1.00 0.00 C ATOM 836 C GLY A 53 3.540 -9.192 -10.386 1.00 0.00 C ATOM 837 O GLY A 53 3.591 -9.763 -11.484 1.00 0.00 O ATOM 0 H GLY A 53 1.858 -6.629 -10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.940 -9.222 -8.968 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.447 -8.812 -10.599 1.00 0.00 H new ATOM 841 N ASP A 54 4.588 -8.993 -9.626 1.00 0.00 N ATOM 842 CA ASP A 54 5.915 -9.464 -9.952 1.00 0.00 C ATOM 843 C ASP A 54 6.757 -9.356 -8.678 1.00 0.00 C ATOM 844 O ASP A 54 6.201 -9.092 -7.603 1.00 0.00 O ATOM 845 CB ASP A 54 6.515 -8.612 -11.085 1.00 0.00 C ATOM 846 CG ASP A 54 7.726 -9.244 -11.715 1.00 0.00 C ATOM 847 OD1 ASP A 54 7.546 -10.064 -12.646 1.00 0.00 O ATOM 848 OD2 ASP A 54 8.863 -8.944 -11.297 1.00 0.00 O ATOM 0 H ASP A 54 4.543 -8.487 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 54 5.891 -10.496 -10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.757 -8.449 -11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.786 -7.632 -10.691 1.00 0.00 H new ATOM 853 N ASP A 55 8.055 -9.553 -8.769 1.00 0.00 N ATOM 854 CA ASP A 55 8.923 -9.486 -7.623 1.00 0.00 C ATOM 855 C ASP A 55 9.403 -8.060 -7.417 1.00 0.00 C ATOM 856 O ASP A 55 9.699 -7.633 -6.292 1.00 0.00 O ATOM 857 CB ASP A 55 10.119 -10.425 -7.783 1.00 0.00 C ATOM 858 CG ASP A 55 11.015 -10.456 -6.556 1.00 0.00 C ATOM 859 OD1 ASP A 55 10.704 -11.200 -5.600 1.00 0.00 O ATOM 860 OD2 ASP A 55 12.050 -9.758 -6.536 1.00 0.00 O ATOM 0 H ASP A 55 8.535 -9.764 -9.644 1.00 0.00 H new ATOM 0 HA ASP A 55 8.357 -9.804 -6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.758 -11.433 -7.989 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.706 -10.114 -8.647 1.00 0.00 H new ATOM 865 N GLN A 56 9.451 -7.325 -8.514 1.00 0.00 N ATOM 866 CA GLN A 56 9.911 -5.938 -8.523 1.00 0.00 C ATOM 867 C GLN A 56 8.998 -5.047 -7.671 1.00 0.00 C ATOM 868 O GLN A 56 7.813 -5.347 -7.470 1.00 0.00 O ATOM 869 CB GLN A 56 9.921 -5.405 -9.945 1.00 0.00 C ATOM 870 CG GLN A 56 10.746 -6.216 -10.920 1.00 0.00 C ATOM 871 CD GLN A 56 10.641 -5.683 -12.331 1.00 0.00 C ATOM 872 OE1 GLN A 56 11.434 -4.840 -12.757 1.00 0.00 O ATOM 873 NE2 GLN A 56 9.662 -6.151 -13.056 1.00 0.00 N ATOM 0 H GLN A 56 9.171 -7.671 -9.432 1.00 0.00 H new ATOM 0 HA GLN A 56 10.918 -5.919 -8.105 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.894 -5.360 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.300 -4.383 -9.932 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.790 -6.208 -10.606 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.415 -7.254 -10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.027 -6.848 -12.667 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.532 -5.820 -14.012 1.00 0.00 H new ATOM 882 N LEU A 57 9.553 -3.964 -7.189 1.00 0.00 N ATOM 883 CA LEU A 57 8.829 -3.012 -6.368 1.00 0.00 C ATOM 884 C LEU A 57 8.043 -2.077 -7.266 1.00 0.00 C ATOM 885 O LEU A 57 8.552 -1.621 -8.287 1.00 0.00 O ATOM 886 CB LEU A 57 9.820 -2.214 -5.495 1.00 0.00 C ATOM 887 CG LEU A 57 9.229 -1.150 -4.553 1.00 0.00 C ATOM 888 CD1 LEU A 57 8.320 -1.777 -3.514 1.00 0.00 C ATOM 889 CD2 LEU A 57 10.334 -0.356 -3.880 1.00 0.00 C ATOM 0 H LEU A 57 10.527 -3.711 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 57 8.139 -3.541 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 57 10.385 -2.924 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.532 -1.721 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 57 8.629 -0.469 -5.157 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.919 -0.999 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.499 -2.293 -4.012 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.888 -2.491 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.895 0.391 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.964 -1.030 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.938 0.142 -4.639 1.00 0.00 H new ATOM 901 N LYS A 58 6.808 -1.811 -6.914 1.00 0.00 N ATOM 902 CA LYS A 58 5.994 -0.903 -7.686 1.00 0.00 C ATOM 903 C LYS A 58 6.339 0.486 -7.203 1.00 0.00 C ATOM 904 O LYS A 58 6.540 1.407 -7.988 1.00 0.00 O ATOM 905 CB LYS A 58 4.511 -1.215 -7.429 1.00 0.00 C ATOM 906 CG LYS A 58 3.517 -0.689 -8.475 1.00 0.00 C ATOM 907 CD LYS A 58 3.440 0.827 -8.569 1.00 0.00 C ATOM 908 CE LYS A 58 2.501 1.213 -9.691 1.00 0.00 C ATOM 909 NZ LYS A 58 2.302 2.676 -9.819 1.00 0.00 N ATOM 0 H LYS A 58 6.345 -2.210 -6.098 1.00 0.00 H new ATOM 0 HA LYS A 58 6.175 -0.995 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.395 -2.297 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.237 -0.802 -6.458 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.793 -1.087 -9.452 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.525 -1.076 -8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.088 1.244 -7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.431 1.242 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.892 0.824 -10.631 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.535 0.736 -9.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.649 2.870 -10.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.901 3.050 -8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.216 3.136 -10.007 1.00 0.00 H new ATOM 923 N GLY A 59 6.443 0.606 -5.901 1.00 0.00 N ATOM 924 CA GLY A 59 6.806 1.850 -5.284 1.00 0.00 C ATOM 925 C GLY A 59 6.540 1.814 -3.808 1.00 0.00 C ATOM 926 O GLY A 59 6.022 0.814 -3.291 1.00 0.00 O ATOM 0 H GLY A 59 6.278 -0.157 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.862 2.054 -5.462 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.242 2.664 -5.739 1.00 0.00 H new ATOM 930 N GLU A 60 6.880 2.868 -3.127 1.00 0.00 N ATOM 931 CA GLU A 60 6.654 2.965 -1.732 1.00 0.00 C ATOM 932 C GLU A 60 5.676 4.091 -1.523 1.00 0.00 C ATOM 933 O GLU A 60 5.856 5.192 -2.071 1.00 0.00 O ATOM 934 CB GLU A 60 7.966 3.218 -1.005 1.00 0.00 C ATOM 935 CG GLU A 60 7.850 3.237 0.496 1.00 0.00 C ATOM 936 CD GLU A 60 9.172 3.431 1.155 1.00 0.00 C ATOM 937 OE1 GLU A 60 9.890 2.432 1.408 1.00 0.00 O ATOM 938 OE2 GLU A 60 9.529 4.586 1.440 1.00 0.00 O ATOM 0 H GLU A 60 7.326 3.688 -3.537 1.00 0.00 H new ATOM 0 HA GLU A 60 6.246 2.038 -1.329 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.681 2.448 -1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.374 4.172 -1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.174 4.037 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.408 2.301 0.837 1.00 0.00 H new ATOM 945 N LEU A 61 4.663 3.842 -0.760 1.00 0.00 N ATOM 946 CA LEU A 61 3.602 4.791 -0.637 1.00 0.00 C ATOM 947 C LEU A 61 3.536 5.438 0.694 1.00 0.00 C ATOM 948 O LEU A 61 4.212 6.406 0.919 1.00 0.00 O ATOM 949 CB LEU A 61 2.223 4.292 -1.201 1.00 0.00 C ATOM 950 CG LEU A 61 1.608 2.966 -0.676 1.00 0.00 C ATOM 951 CD1 LEU A 61 0.260 2.746 -1.308 1.00 0.00 C ATOM 952 CD2 LEU A 61 2.491 1.774 -0.972 1.00 0.00 C ATOM 0 H LEU A 61 4.546 2.990 -0.212 1.00 0.00 H new ATOM 0 HA LEU A 61 3.870 5.603 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.494 5.082 -1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.329 4.196 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 61 1.513 3.057 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.168 1.815 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.400 3.575 -1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.371 2.688 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.021 0.869 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.628 1.681 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.461 1.912 -0.493 1.00 0.00 H new ATOM 964 N THR A 62 2.694 4.919 1.513 1.00 0.00 N ATOM 965 CA THR A 62 2.481 5.274 2.931 1.00 0.00 C ATOM 966 C THR A 62 1.601 6.545 3.087 1.00 0.00 C ATOM 967 O THR A 62 1.262 6.961 4.197 1.00 0.00 O ATOM 968 CB THR A 62 3.801 5.265 3.852 1.00 0.00 C ATOM 969 OG1 THR A 62 3.436 5.172 5.235 1.00 0.00 O ATOM 970 CG2 THR A 62 4.672 6.512 3.689 1.00 0.00 C ATOM 0 H THR A 62 2.069 4.170 1.216 1.00 0.00 H new ATOM 0 HA THR A 62 1.906 4.447 3.346 1.00 0.00 H new ATOM 0 HB THR A 62 4.379 4.401 3.525 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.707 5.799 5.424 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.543 6.435 4.340 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.000 6.594 2.653 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.095 7.397 3.958 1.00 0.00 H new ATOM 978 N ASP A 63 1.199 7.122 1.952 1.00 0.00 N ATOM 979 CA ASP A 63 0.355 8.324 1.933 1.00 0.00 C ATOM 980 C ASP A 63 -1.084 7.913 2.097 1.00 0.00 C ATOM 981 O ASP A 63 -1.635 7.231 1.241 1.00 0.00 O ATOM 982 CB ASP A 63 0.453 9.051 0.589 1.00 0.00 C ATOM 983 CG ASP A 63 1.865 9.316 0.133 1.00 0.00 C ATOM 984 OD1 ASP A 63 2.451 10.343 0.516 1.00 0.00 O ATOM 985 OD2 ASP A 63 2.410 8.503 -0.617 1.00 0.00 O ATOM 0 H ASP A 63 1.446 6.774 1.026 1.00 0.00 H new ATOM 0 HA ASP A 63 0.692 8.979 2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.057 8.458 -0.170 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.078 10.000 0.662 1.00 0.00 H new ATOM 990 N GLY A 64 -1.701 8.322 3.162 1.00 0.00 N ATOM 991 CA GLY A 64 -3.073 7.937 3.382 1.00 0.00 C ATOM 992 C GLY A 64 -4.022 9.091 3.308 1.00 0.00 C ATOM 993 O GLY A 64 -5.187 8.951 3.642 1.00 0.00 O ATOM 0 H GLY A 64 -1.291 8.913 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.359 7.191 2.641 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.160 7.464 4.360 1.00 0.00 H new ATOM 997 N ALA A 65 -3.529 10.236 2.879 1.00 0.00 N ATOM 998 CA ALA A 65 -4.378 11.412 2.696 1.00 0.00 C ATOM 999 C ALA A 65 -5.161 11.272 1.389 1.00 0.00 C ATOM 1000 O ALA A 65 -6.063 12.053 1.085 1.00 0.00 O ATOM 1001 CB ALA A 65 -3.533 12.679 2.686 1.00 0.00 C ATOM 0 H ALA A 65 -2.546 10.384 2.649 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.081 11.484 3.526 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.179 13.546 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.001 12.769 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.813 12.630 1.869 1.00 0.00 H new ATOM 1007 N LYS A 66 -4.792 10.262 0.643 1.00 0.00 N ATOM 1008 CA LYS A 66 -5.369 9.925 -0.626 1.00 0.00 C ATOM 1009 C LYS A 66 -5.805 8.457 -0.592 1.00 0.00 C ATOM 1010 O LYS A 66 -5.314 7.684 0.256 1.00 0.00 O ATOM 1011 CB LYS A 66 -4.318 10.213 -1.713 1.00 0.00 C ATOM 1012 CG LYS A 66 -2.938 9.640 -1.378 1.00 0.00 C ATOM 1013 CD LYS A 66 -1.841 10.120 -2.328 1.00 0.00 C ATOM 1014 CE LYS A 66 -2.065 9.679 -3.756 1.00 0.00 C ATOM 1015 NZ LYS A 66 -0.986 10.147 -4.645 1.00 0.00 N ATOM 0 H LYS A 66 -4.046 9.625 0.920 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.256 10.519 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.659 9.795 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -4.234 11.291 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -2.674 9.918 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.986 8.552 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.788 11.208 -2.293 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.878 9.743 -1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.124 8.591 -3.796 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.021 10.064 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.173 9.826 -5.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.946 11.186 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -0.077 9.760 -4.321 1.00 0.00 H new ATOM 1029 N SER A 67 -6.714 8.072 -1.467 1.00 0.00 N ATOM 1030 CA SER A 67 -7.243 6.741 -1.454 1.00 0.00 C ATOM 1031 C SER A 67 -6.379 5.803 -2.229 1.00 0.00 C ATOM 1032 O SER A 67 -5.475 6.226 -2.949 1.00 0.00 O ATOM 1033 CB SER A 67 -8.642 6.733 -2.030 1.00 0.00 C ATOM 1034 OG SER A 67 -8.665 7.336 -3.322 1.00 0.00 O ATOM 0 H SER A 67 -7.097 8.674 -2.196 1.00 0.00 H new ATOM 0 HA SER A 67 -7.270 6.404 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.006 5.708 -2.096 1.00 0.00 H new ATOM 0 HB3 SER A 67 -9.317 7.268 -1.363 1.00 0.00 H new ATOM 0 HG SER A 67 -9.579 7.318 -3.675 1.00 0.00 H new ATOM 1040 N LEU A 68 -6.685 4.536 -2.107 1.00 0.00 N ATOM 1041 CA LEU A 68 -5.970 3.479 -2.811 1.00 0.00 C ATOM 1042 C LEU A 68 -6.058 3.682 -4.314 1.00 0.00 C ATOM 1043 O LEU A 68 -5.119 3.391 -5.054 1.00 0.00 O ATOM 1044 CB LEU A 68 -6.551 2.110 -2.448 1.00 0.00 C ATOM 1045 CG LEU A 68 -6.464 1.687 -0.979 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -7.068 0.309 -0.792 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -5.023 1.705 -0.488 1.00 0.00 C ATOM 0 H LEU A 68 -7.442 4.197 -1.514 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.924 3.519 -2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.600 2.098 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.043 1.356 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 68 -7.031 2.404 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.999 0.021 0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.115 0.326 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.525 -0.412 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.991 1.400 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.427 1.015 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.618 2.712 -0.585 1.00 0.00 H new ATOM 1059 N LYS A 69 -7.166 4.222 -4.749 1.00 0.00 N ATOM 1060 CA LYS A 69 -7.402 4.428 -6.161 1.00 0.00 C ATOM 1061 C LYS A 69 -6.582 5.587 -6.674 1.00 0.00 C ATOM 1062 O LYS A 69 -6.005 5.535 -7.768 1.00 0.00 O ATOM 1063 CB LYS A 69 -8.883 4.631 -6.423 1.00 0.00 C ATOM 1064 CG LYS A 69 -9.236 4.858 -7.880 1.00 0.00 C ATOM 1065 CD LYS A 69 -10.730 4.786 -8.103 1.00 0.00 C ATOM 1066 CE LYS A 69 -11.504 5.834 -7.327 1.00 0.00 C ATOM 1067 NZ LYS A 69 -12.960 5.713 -7.562 1.00 0.00 N ATOM 0 H LYS A 69 -7.927 4.530 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.086 3.538 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -9.426 3.758 -6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.229 5.485 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.866 5.832 -8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.738 4.111 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.938 4.905 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -11.086 3.796 -7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.296 5.728 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.168 6.828 -7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.419 6.628 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.130 5.432 -8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.356 4.993 -6.924 1.00 0.00 H new ATOM 1081 N ASP A 70 -6.522 6.623 -5.889 1.00 0.00 N ATOM 1082 CA ASP A 70 -5.710 7.798 -6.216 1.00 0.00 C ATOM 1083 C ASP A 70 -4.215 7.444 -6.110 1.00 0.00 C ATOM 1084 O ASP A 70 -3.373 7.980 -6.823 1.00 0.00 O ATOM 1085 CB ASP A 70 -6.035 8.933 -5.271 1.00 0.00 C ATOM 1086 CG ASP A 70 -5.466 10.251 -5.740 1.00 0.00 C ATOM 1087 OD1 ASP A 70 -4.305 10.551 -5.440 1.00 0.00 O ATOM 1088 OD2 ASP A 70 -6.188 11.008 -6.424 1.00 0.00 O ATOM 0 H ASP A 70 -7.025 6.694 -5.005 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.934 8.111 -7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.117 9.022 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.642 8.702 -4.281 1.00 0.00 H new ATOM 1093 N LEU A 71 -3.923 6.513 -5.223 1.00 0.00 N ATOM 1094 CA LEU A 71 -2.560 5.988 -4.999 1.00 0.00 C ATOM 1095 C LEU A 71 -2.093 5.067 -6.123 1.00 0.00 C ATOM 1096 O LEU A 71 -0.922 4.709 -6.180 1.00 0.00 O ATOM 1097 CB LEU A 71 -2.497 5.221 -3.669 1.00 0.00 C ATOM 1098 CG LEU A 71 -2.429 6.045 -2.386 1.00 0.00 C ATOM 1099 CD1 LEU A 71 -2.764 5.174 -1.195 1.00 0.00 C ATOM 1100 CD2 LEU A 71 -1.023 6.594 -2.219 1.00 0.00 C ATOM 0 H LEU A 71 -4.626 6.084 -4.621 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.895 6.851 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.374 4.577 -3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.624 4.569 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.146 6.864 -2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.713 5.769 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.770 4.772 -1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.050 4.353 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.969 7.184 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.314 5.768 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.775 7.225 -3.072 1.00 0.00 H new ATOM 1112 N GLY A 72 -2.992 4.671 -6.991 1.00 0.00 N ATOM 1113 CA GLY A 72 -2.606 3.811 -8.093 1.00 0.00 C ATOM 1114 C GLY A 72 -2.502 2.360 -7.674 1.00 0.00 C ATOM 1115 O GLY A 72 -1.884 1.541 -8.365 1.00 0.00 O ATOM 0 H GLY A 72 -3.980 4.923 -6.962 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.335 3.904 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.647 4.142 -8.492 1.00 0.00 H new ATOM 1119 N VAL A 73 -3.098 2.044 -6.547 1.00 0.00 N ATOM 1120 CA VAL A 73 -3.113 0.700 -6.030 1.00 0.00 C ATOM 1121 C VAL A 73 -4.146 -0.082 -6.814 1.00 0.00 C ATOM 1122 O VAL A 73 -5.316 0.287 -6.838 1.00 0.00 O ATOM 1123 CB VAL A 73 -3.502 0.686 -4.526 1.00 0.00 C ATOM 1124 CG1 VAL A 73 -3.487 -0.725 -3.969 1.00 0.00 C ATOM 1125 CG2 VAL A 73 -2.587 1.588 -3.718 1.00 0.00 C ATOM 0 H VAL A 73 -3.589 2.719 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.120 0.261 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.519 1.071 -4.445 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.763 -0.703 -2.915 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.200 -1.341 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.487 -1.147 -4.073 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.882 1.559 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.558 1.243 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.664 2.610 -4.089 1.00 0.00 H new ATOM 1135 N ARG A 74 -3.722 -1.107 -7.482 1.00 0.00 N ATOM 1136 CA ARG A 74 -4.625 -1.921 -8.259 1.00 0.00 C ATOM 1137 C ARG A 74 -4.840 -3.238 -7.561 1.00 0.00 C ATOM 1138 O ARG A 74 -4.228 -3.507 -6.528 1.00 0.00 O ATOM 1139 CB ARG A 74 -4.067 -2.188 -9.648 1.00 0.00 C ATOM 1140 CG ARG A 74 -3.828 -0.960 -10.505 1.00 0.00 C ATOM 1141 CD ARG A 74 -3.238 -1.376 -11.836 1.00 0.00 C ATOM 1142 NE ARG A 74 -2.974 -0.249 -12.727 1.00 0.00 N ATOM 1143 CZ ARG A 74 -2.089 -0.276 -13.735 1.00 0.00 C ATOM 1144 NH1 ARG A 74 -1.253 -1.319 -13.866 1.00 0.00 N ATOM 1145 NH2 ARG A 74 -2.006 0.750 -14.572 1.00 0.00 N ATOM 0 H ARG A 74 -2.748 -1.409 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.567 -1.382 -8.357 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.125 -2.726 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.755 -2.849 -10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.765 -0.426 -10.662 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.152 -0.274 -9.995 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.308 -1.917 -11.660 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.921 -2.068 -12.329 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.496 0.614 -12.573 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.291 -2.090 -13.199 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.580 -1.340 -14.632 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.615 1.559 -14.449 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.333 0.730 -15.338 1.00 0.00 H new ATOM 1159 N ASP A 75 -5.681 -4.055 -8.129 1.00 0.00 N ATOM 1160 CA ASP A 75 -5.948 -5.360 -7.578 1.00 0.00 C ATOM 1161 C ASP A 75 -4.871 -6.304 -7.994 1.00 0.00 C ATOM 1162 O ASP A 75 -4.226 -6.116 -9.034 1.00 0.00 O ATOM 1163 CB ASP A 75 -7.305 -5.895 -8.022 1.00 0.00 C ATOM 1164 CG ASP A 75 -7.422 -6.093 -9.520 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -7.523 -5.092 -10.254 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -7.426 -7.256 -9.984 1.00 0.00 O ATOM 0 H ASP A 75 -6.199 -3.841 -8.981 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.968 -5.270 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -7.491 -6.846 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -8.083 -5.205 -7.694 1.00 0.00 H new ATOM 1171 N GLY A 76 -4.658 -7.289 -7.190 1.00 0.00 N ATOM 1172 CA GLY A 76 -3.605 -8.256 -7.454 1.00 0.00 C ATOM 1173 C GLY A 76 -2.241 -7.745 -7.020 1.00 0.00 C ATOM 1174 O GLY A 76 -1.209 -8.396 -7.251 1.00 0.00 O ATOM 0 H GLY A 76 -5.191 -7.461 -6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.827 -9.186 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.584 -8.487 -8.519 1.00 0.00 H new ATOM 1178 N TYR A 77 -2.230 -6.573 -6.420 1.00 0.00 N ATOM 1179 CA TYR A 77 -1.018 -5.971 -5.923 1.00 0.00 C ATOM 1180 C TYR A 77 -0.860 -6.305 -4.460 1.00 0.00 C ATOM 1181 O TYR A 77 -1.845 -6.607 -3.770 1.00 0.00 O ATOM 1182 CB TYR A 77 -1.014 -4.444 -6.158 1.00 0.00 C ATOM 1183 CG TYR A 77 -0.860 -4.008 -7.629 1.00 0.00 C ATOM 1184 CD1 TYR A 77 -1.008 -4.911 -8.681 1.00 0.00 C ATOM 1185 CD2 TYR A 77 -0.554 -2.691 -7.949 1.00 0.00 C ATOM 1186 CE1 TYR A 77 -0.854 -4.515 -9.995 1.00 0.00 C ATOM 1187 CE2 TYR A 77 -0.402 -2.288 -9.262 1.00 0.00 C ATOM 1188 CZ TYR A 77 -0.550 -3.204 -10.279 1.00 0.00 C ATOM 1189 OH TYR A 77 -0.395 -2.802 -11.589 1.00 0.00 O ATOM 0 H TYR A 77 -3.067 -6.011 -6.264 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.167 -6.376 -6.471 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -1.944 -4.030 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.202 -4.005 -5.578 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.248 -5.941 -8.464 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.433 -1.968 -7.156 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.972 -5.231 -10.795 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -0.168 -1.258 -9.489 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.279 -1.829 -11.621 1.00 0.00 H new ATOM 1199 N ARG A 78 0.343 -6.274 -3.976 1.00 0.00 N ATOM 1200 CA ARG A 78 0.569 -6.644 -2.623 1.00 0.00 C ATOM 1201 C ARG A 78 1.166 -5.528 -1.799 1.00 0.00 C ATOM 1202 O ARG A 78 2.073 -4.812 -2.238 1.00 0.00 O ATOM 1203 CB ARG A 78 1.334 -7.969 -2.513 1.00 0.00 C ATOM 1204 CG ARG A 78 2.720 -8.032 -3.120 1.00 0.00 C ATOM 1205 CD ARG A 78 3.221 -9.456 -2.989 1.00 0.00 C ATOM 1206 NE ARG A 78 4.562 -9.697 -3.533 1.00 0.00 N ATOM 1207 CZ ARG A 78 5.099 -10.923 -3.595 1.00 0.00 C ATOM 1208 NH1 ARG A 78 4.374 -11.976 -3.212 1.00 0.00 N ATOM 1209 NH2 ARG A 78 6.341 -11.100 -4.034 1.00 0.00 N ATOM 0 H ARG A 78 1.175 -5.998 -4.497 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.409 -6.824 -2.177 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.419 -8.221 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.728 -8.746 -2.978 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.692 -7.732 -4.168 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.392 -7.342 -2.609 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.219 -9.730 -1.934 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.517 -10.120 -3.491 1.00 0.00 H new ATOM 0 HE ARG A 78 5.104 -8.904 -3.876 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.420 -11.843 -2.876 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.774 -12.913 -3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.897 -10.297 -4.329 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.738 -12.039 -4.076 1.00 0.00 H new ATOM 1223 N ILE A 79 0.635 -5.383 -0.610 1.00 0.00 N ATOM 1224 CA ILE A 79 1.027 -4.358 0.306 1.00 0.00 C ATOM 1225 C ILE A 79 1.935 -4.960 1.347 1.00 0.00 C ATOM 1226 O ILE A 79 1.542 -5.849 2.113 1.00 0.00 O ATOM 1227 CB ILE A 79 -0.200 -3.701 0.999 1.00 0.00 C ATOM 1228 CG1 ILE A 79 -1.154 -3.077 -0.034 1.00 0.00 C ATOM 1229 CG2 ILE A 79 0.239 -2.659 2.018 1.00 0.00 C ATOM 1230 CD1 ILE A 79 -0.533 -1.989 -0.898 1.00 0.00 C ATOM 0 H ILE A 79 -0.099 -5.993 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 79 1.545 -3.578 -0.251 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.739 -4.488 1.527 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.531 -3.867 -0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -2.013 -2.659 0.491 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.640 -2.216 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.857 -3.133 2.780 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.814 -1.880 1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.279 -1.608 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.182 -1.176 -0.263 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.307 -2.403 -1.456 1.00 0.00 H new ATOM 1242 N HIS A 80 3.117 -4.498 1.358 1.00 0.00 N ATOM 1243 CA HIS A 80 4.132 -4.977 2.220 1.00 0.00 C ATOM 1244 C HIS A 80 4.436 -3.968 3.304 1.00 0.00 C ATOM 1245 O HIS A 80 4.727 -2.811 3.024 1.00 0.00 O ATOM 1246 CB HIS A 80 5.380 -5.244 1.382 1.00 0.00 C ATOM 1247 CG HIS A 80 6.573 -5.576 2.181 1.00 0.00 C ATOM 1248 ND1 HIS A 80 6.743 -6.778 2.793 1.00 0.00 N ATOM 1249 CD2 HIS A 80 7.643 -4.824 2.499 1.00 0.00 C ATOM 1250 CE1 HIS A 80 7.863 -6.767 3.470 1.00 0.00 C ATOM 1251 NE2 HIS A 80 8.441 -5.590 3.308 1.00 0.00 N ATOM 0 H HIS A 80 3.425 -3.744 0.744 1.00 0.00 H new ATOM 0 HA HIS A 80 3.800 -5.894 2.707 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.175 -6.064 0.694 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.594 -4.364 0.775 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.836 -3.811 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.250 -7.583 4.062 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.330 -5.301 3.716 1.00 0.00 H new ATOM 1260 N ALA A 81 4.378 -4.403 4.517 1.00 0.00 N ATOM 1261 CA ALA A 81 4.745 -3.574 5.621 1.00 0.00 C ATOM 1262 C ALA A 81 6.147 -3.934 6.055 1.00 0.00 C ATOM 1263 O ALA A 81 6.437 -5.107 6.334 1.00 0.00 O ATOM 1264 CB ALA A 81 3.752 -3.730 6.759 1.00 0.00 C ATOM 0 H ALA A 81 4.075 -5.342 4.774 1.00 0.00 H new ATOM 0 HA ALA A 81 4.726 -2.526 5.321 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.048 -3.091 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 81 2.758 -3.442 6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.736 -4.769 7.088 1.00 0.00 H new ATOM 1270 N VAL A 82 7.015 -2.959 6.076 1.00 0.00 N ATOM 1271 CA VAL A 82 8.368 -3.177 6.451 1.00 0.00 C ATOM 1272 C VAL A 82 8.682 -2.414 7.736 1.00 0.00 C ATOM 1273 O VAL A 82 8.318 -1.243 7.901 1.00 0.00 O ATOM 1274 CB VAL A 82 9.358 -2.811 5.298 1.00 0.00 C ATOM 1275 CG1 VAL A 82 9.323 -1.328 4.937 1.00 0.00 C ATOM 1276 CG2 VAL A 82 10.771 -3.276 5.604 1.00 0.00 C ATOM 0 H VAL A 82 6.795 -1.994 5.832 1.00 0.00 H new ATOM 0 HA VAL A 82 8.504 -4.241 6.643 1.00 0.00 H new ATOM 0 HB VAL A 82 9.014 -3.352 4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.030 -1.133 4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.319 -1.056 4.612 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.595 -0.735 5.810 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.430 -3.004 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.120 -2.800 6.520 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.778 -4.358 5.732 1.00 0.00 H new ATOM 1286 N ASP A 83 9.307 -3.101 8.629 1.00 0.00 N ATOM 1287 CA ASP A 83 9.650 -2.591 9.932 1.00 0.00 C ATOM 1288 C ASP A 83 10.887 -1.745 9.925 1.00 0.00 C ATOM 1289 O ASP A 83 11.956 -2.162 9.458 1.00 0.00 O ATOM 1290 CB ASP A 83 9.810 -3.724 10.921 1.00 0.00 C ATOM 1291 CG ASP A 83 10.280 -3.240 12.260 1.00 0.00 C ATOM 1292 OD1 ASP A 83 9.533 -2.530 12.937 1.00 0.00 O ATOM 1293 OD2 ASP A 83 11.398 -3.580 12.665 1.00 0.00 O ATOM 0 H ASP A 83 9.607 -4.064 8.478 1.00 0.00 H new ATOM 0 HA ASP A 83 8.824 -1.949 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.858 -4.241 11.037 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.522 -4.450 10.528 1.00 0.00 H new ATOM 1298 N VAL A 84 10.750 -0.573 10.466 1.00 0.00 N ATOM 1299 CA VAL A 84 11.827 0.358 10.572 1.00 0.00 C ATOM 1300 C VAL A 84 12.242 0.456 12.057 1.00 0.00 C ATOM 1301 O VAL A 84 13.179 1.166 12.414 1.00 0.00 O ATOM 1302 CB VAL A 84 11.378 1.758 10.043 1.00 0.00 C ATOM 1303 CG1 VAL A 84 12.541 2.746 9.954 1.00 0.00 C ATOM 1304 CG2 VAL A 84 10.672 1.633 8.697 1.00 0.00 C ATOM 0 H VAL A 84 9.870 -0.232 10.853 1.00 0.00 H new ATOM 0 HA VAL A 84 12.673 0.022 9.972 1.00 0.00 H new ATOM 0 HB VAL A 84 10.671 2.158 10.770 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.177 3.704 9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.978 2.884 10.943 1.00 0.00 H new ATOM 0 HG13 VAL A 84 13.298 2.356 9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.370 2.622 8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.351 1.186 7.970 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.790 1.002 8.806 1.00 0.00 H new ATOM 1314 N THR A 85 11.563 -0.302 12.917 1.00 0.00 N ATOM 1315 CA THR A 85 11.834 -0.231 14.345 1.00 0.00 C ATOM 1316 C THR A 85 13.080 -1.046 14.675 1.00 0.00 C ATOM 1317 O THR A 85 13.874 -0.677 15.537 1.00 0.00 O ATOM 1318 CB THR A 85 10.657 -0.813 15.137 1.00 0.00 C ATOM 1319 OG1 THR A 85 9.433 -0.382 14.544 1.00 0.00 O ATOM 1320 CG2 THR A 85 10.693 -0.340 16.576 1.00 0.00 C ATOM 0 H THR A 85 10.832 -0.962 12.652 1.00 0.00 H new ATOM 0 HA THR A 85 11.983 0.815 14.615 1.00 0.00 H new ATOM 0 HB THR A 85 10.730 -1.900 15.118 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.168 -1.015 13.844 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.849 -0.765 17.120 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.624 -0.662 17.042 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.632 0.748 16.603 1.00 0.00 H new ATOM 1328 N GLY A 86 13.254 -2.121 13.960 1.00 0.00 N ATOM 1329 CA GLY A 86 14.433 -2.919 14.095 1.00 0.00 C ATOM 1330 C GLY A 86 15.289 -2.745 12.889 1.00 0.00 C ATOM 1331 O GLY A 86 16.373 -3.320 12.783 1.00 0.00 O ATOM 0 H GLY A 86 12.585 -2.465 13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.983 -2.627 14.990 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.163 -3.968 14.215 1.00 0.00 H new ATOM 1335 N GLY A 87 14.792 -1.930 11.977 1.00 0.00 N ATOM 1336 CA GLY A 87 15.474 -1.665 10.736 1.00 0.00 C ATOM 1337 C GLY A 87 15.606 -2.889 9.850 1.00 0.00 C ATOM 1338 O GLY A 87 16.695 -3.431 9.690 1.00 0.00 O ATOM 0 H GLY A 87 13.905 -1.437 12.081 1.00 0.00 H new ATOM 0 HA2 GLY A 87 14.936 -0.888 10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.468 -1.273 10.952 1.00 0.00 H new ATOM 1342 N ASN A 88 14.509 -3.344 9.294 1.00 0.00 N ATOM 1343 CA ASN A 88 14.556 -4.464 8.363 1.00 0.00 C ATOM 1344 C ASN A 88 14.591 -3.952 6.955 1.00 0.00 C ATOM 1345 O ASN A 88 13.955 -2.943 6.655 1.00 0.00 O ATOM 1346 CB ASN A 88 13.383 -5.450 8.532 1.00 0.00 C ATOM 1347 CG ASN A 88 13.456 -6.339 9.776 1.00 0.00 C ATOM 1348 OD1 ASN A 88 12.981 -7.479 9.751 1.00 0.00 O ATOM 1349 ND2 ASN A 88 14.022 -5.854 10.847 1.00 0.00 N ATOM 0 H ASN A 88 13.577 -2.965 9.463 1.00 0.00 H new ATOM 0 HA ASN A 88 15.466 -5.020 8.589 1.00 0.00 H new ATOM 0 HB2 ASN A 88 12.453 -4.882 8.564 1.00 0.00 H new ATOM 0 HB3 ASN A 88 13.336 -6.089 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 88 14.081 -6.420 11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 88 14.406 -4.909 10.838 1.00 0.00 H new ATOM 1356 N GLU A 89 15.343 -4.645 6.106 1.00 0.00 N ATOM 1357 CA GLU A 89 15.511 -4.309 4.687 1.00 0.00 C ATOM 1358 C GLU A 89 16.198 -2.961 4.504 1.00 0.00 C ATOM 1359 O GLU A 89 15.560 -1.903 4.513 1.00 0.00 O ATOM 1360 CB GLU A 89 14.182 -4.359 3.913 1.00 0.00 C ATOM 1361 CG GLU A 89 13.478 -5.703 3.982 1.00 0.00 C ATOM 1362 CD GLU A 89 14.325 -6.835 3.465 1.00 0.00 C ATOM 1363 OE1 GLU A 89 14.361 -7.056 2.246 1.00 0.00 O ATOM 1364 OE2 GLU A 89 14.943 -7.547 4.285 1.00 0.00 O ATOM 0 H GLU A 89 15.866 -5.475 6.386 1.00 0.00 H new ATOM 0 HA GLU A 89 16.160 -5.076 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.516 -3.591 4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.372 -4.113 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.198 -5.908 5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 89 12.555 -5.654 3.405 1.00 0.00 H new ATOM 1371 N ASP A 90 17.492 -3.001 4.387 1.00 0.00 N ATOM 1372 CA ASP A 90 18.284 -1.809 4.207 1.00 0.00 C ATOM 1373 C ASP A 90 19.330 -2.036 3.158 1.00 0.00 C ATOM 1374 O ASP A 90 20.298 -2.779 3.424 1.00 0.00 O ATOM 1375 CB ASP A 90 18.921 -1.342 5.511 1.00 0.00 C ATOM 1376 CG ASP A 90 19.799 -0.130 5.301 1.00 0.00 C ATOM 1377 OD1 ASP A 90 19.272 0.949 4.935 1.00 0.00 O ATOM 1378 OD2 ASP A 90 21.027 -0.223 5.517 1.00 0.00 O ATOM 0 H ASP A 90 18.036 -3.864 4.413 1.00 0.00 H new ATOM 0 HA ASP A 90 17.614 -1.015 3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 90 18.140 -1.105 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 90 19.514 -2.152 5.937 1.00 0.00 H new TER 1383 ASP A 90