USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 888 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 53 ASN : amide:sc= -1.08 K(o=-1.4,f=-3.1!) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= -0.278 USER MOD Set 2.1: A 43 HIS : no HD1:sc= -0.555 K(o=-1.2,f=-1.8) USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.677 X(o=-1.2,f=-1.4) USER MOD Set 3.1: A 34 SER OG : rot -75:sc= 1.2 USER MOD Set 3.2: A 39 THR OG1 : rot 171:sc= 0.89 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 3 LYS NZ :NH3+ -156:sc= -0.153 (180deg=-0.763) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -176:sc= 0.154 (180deg=0.149) USER MOD Single : A 15 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.5) USER MOD Single : A 19 ASN : amide:sc= -0.188 K(o=-0.19,f=-1.6!) USER MOD Single : A 22 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 125:sc= 1.03 USER MOD Single : A 26 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.838) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0332) USER MOD Single : A 46 HIS : no HD1:sc= -0.587 K(o=-0.59,f=-2) USER MOD Single : A 57 CYS SG : rot 180:sc=-0.00212 USER MOD Single : A 58 THR OG1 : rot -150:sc= -0.497 USER MOD Single : A 59 SER OG : rot -179:sc= -0.375 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 68 SER OG : rot -1:sc= 1.05 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.048) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= 0.00272 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.482 X(o=-0.48,f=-0.68) USER MOD Single : A 86 ASN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 106:sc= 1.15 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 120 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-1.8) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.422 0.876 -9.403 1.00 0.00 N ATOM 2 CA ALA A 1 -10.636 1.873 -10.445 1.00 0.00 C ATOM 3 C ALA A 1 -10.799 1.214 -11.811 1.00 0.00 C ATOM 4 O ALA A 1 -9.817 0.833 -12.449 1.00 0.00 O ATOM 5 CB ALA A 1 -9.482 2.865 -10.470 1.00 0.00 C ATOM 0 H1 ALA A 1 -10.314 1.352 -8.484 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.238 0.232 -9.366 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.561 0.332 -9.614 1.00 0.00 H new ATOM 0 HA ALA A 1 -11.558 2.409 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -9.654 3.604 -11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.413 3.367 -9.505 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.551 2.335 -10.670 1.00 0.00 H new ATOM 11 N THR A 2 -12.045 1.082 -12.254 1.00 0.00 N ATOM 12 CA THR A 2 -12.337 0.467 -13.543 1.00 0.00 C ATOM 13 C THR A 2 -13.838 0.418 -13.802 1.00 0.00 C ATOM 14 O THR A 2 -14.286 0.520 -14.944 1.00 0.00 O ATOM 15 CB THR A 2 -11.767 -0.960 -13.628 1.00 0.00 C ATOM 16 OG1 THR A 2 -12.277 -1.625 -14.787 1.00 0.00 O ATOM 17 CG2 THR A 2 -12.118 -1.758 -12.381 1.00 0.00 C ATOM 0 H THR A 2 -12.869 1.393 -11.739 1.00 0.00 H new ATOM 0 HA THR A 2 -11.860 1.086 -14.302 1.00 0.00 H new ATOM 0 HB THR A 2 -10.682 -0.890 -13.701 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.907 -2.531 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.705 -2.763 -12.464 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.700 -1.265 -11.504 1.00 0.00 H new ATOM 0 HG23 THR A 2 -13.202 -1.819 -12.281 1.00 0.00 H new ATOM 25 N LYS A 3 -14.613 0.259 -12.732 1.00 0.00 N ATOM 26 CA LYS A 3 -16.066 0.196 -12.842 1.00 0.00 C ATOM 27 C LYS A 3 -16.706 0.004 -11.472 1.00 0.00 C ATOM 28 O LYS A 3 -17.759 -0.622 -11.352 1.00 0.00 O ATOM 29 CB LYS A 3 -16.478 -0.943 -13.775 1.00 0.00 C ATOM 30 CG LYS A 3 -15.748 -2.247 -13.503 1.00 0.00 C ATOM 31 CD LYS A 3 -16.279 -2.934 -12.256 1.00 0.00 C ATOM 32 CE LYS A 3 -15.823 -4.384 -12.181 1.00 0.00 C ATOM 33 NZ LYS A 3 -16.278 -5.170 -13.361 1.00 0.00 N1+ ATOM 0 H LYS A 3 -14.258 0.172 -11.780 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.416 1.141 -13.257 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -17.551 -1.110 -13.679 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -16.294 -0.641 -14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -15.857 -2.912 -14.360 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.682 -2.051 -13.385 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.937 -2.398 -11.371 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.368 -2.893 -12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.735 -4.420 -12.118 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.210 -4.840 -11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.321 -6.179 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -17.222 -4.845 -13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.609 -5.036 -14.146 1.00 0.00 H new ATOM 47 N ALA A 4 -16.065 0.547 -10.442 1.00 0.00 N ATOM 48 CA ALA A 4 -16.575 0.438 -9.081 1.00 0.00 C ATOM 49 C ALA A 4 -17.736 1.400 -8.850 1.00 0.00 C ATOM 50 O ALA A 4 -18.453 1.297 -7.856 1.00 0.00 O ATOM 51 CB ALA A 4 -15.462 0.703 -8.078 1.00 0.00 C ATOM 0 H ALA A 4 -15.191 1.067 -10.525 1.00 0.00 H new ATOM 0 HA ALA A 4 -16.945 -0.577 -8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -15.857 0.618 -7.066 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -14.664 -0.026 -8.219 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -15.066 1.707 -8.230 1.00 0.00 H new ATOM 57 N VAL A 5 -17.917 2.334 -9.779 1.00 0.00 N ATOM 58 CA VAL A 5 -18.993 3.314 -9.676 1.00 0.00 C ATOM 59 C VAL A 5 -19.975 3.174 -10.833 1.00 0.00 C ATOM 60 O VAL A 5 -21.186 3.089 -10.625 1.00 0.00 O ATOM 61 CB VAL A 5 -18.442 4.752 -9.657 1.00 0.00 C ATOM 62 CG1 VAL A 5 -19.579 5.759 -9.572 1.00 0.00 C ATOM 63 CG2 VAL A 5 -17.471 4.934 -8.501 1.00 0.00 C ATOM 0 H VAL A 5 -17.334 2.433 -10.610 1.00 0.00 H new ATOM 0 HA VAL A 5 -19.511 3.119 -8.737 1.00 0.00 H new ATOM 0 HB VAL A 5 -17.902 4.928 -10.587 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -19.170 6.769 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -20.233 5.643 -10.436 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -20.150 5.587 -8.659 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -17.091 5.956 -8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -17.985 4.739 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.640 4.238 -8.611 1.00 0.00 H new ATOM 73 N CYS A 6 -19.446 3.151 -12.052 1.00 0.00 N ATOM 74 CA CYS A 6 -20.277 3.021 -13.244 1.00 0.00 C ATOM 75 C CYS A 6 -19.417 2.964 -14.503 1.00 0.00 C ATOM 76 O CYS A 6 -19.296 3.949 -15.229 1.00 0.00 O ATOM 77 CB CYS A 6 -21.260 4.189 -13.335 1.00 0.00 C ATOM 78 SG CYS A 6 -22.819 3.779 -14.154 1.00 0.00 S ATOM 0 H CYS A 6 -18.446 3.221 -12.241 1.00 0.00 H new ATOM 0 HA CYS A 6 -20.837 2.089 -13.167 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -21.474 4.549 -12.329 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -20.784 5.009 -13.872 1.00 0.00 H new ATOM 0 HG CYS A 6 -23.585 4.829 -14.181 1.00 0.00 H new ATOM 84 N VAL A 7 -18.821 1.803 -14.753 1.00 0.00 N ATOM 85 CA VAL A 7 -17.971 1.616 -15.924 1.00 0.00 C ATOM 86 C VAL A 7 -17.113 2.851 -16.181 1.00 0.00 C ATOM 87 O VAL A 7 -17.144 3.423 -17.272 1.00 0.00 O ATOM 88 CB VAL A 7 -18.806 1.314 -17.180 1.00 0.00 C ATOM 89 CG1 VAL A 7 -17.910 0.845 -18.317 1.00 0.00 C ATOM 90 CG2 VAL A 7 -19.874 0.275 -16.872 1.00 0.00 C ATOM 0 H VAL A 7 -18.911 0.977 -14.161 1.00 0.00 H new ATOM 0 HA VAL A 7 -17.324 0.764 -15.714 1.00 0.00 H new ATOM 0 HB VAL A 7 -19.302 2.232 -17.494 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -18.518 0.636 -19.197 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -17.185 1.624 -18.554 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -17.384 -0.061 -18.016 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -20.455 0.073 -17.772 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -19.399 -0.646 -16.533 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -20.534 0.652 -16.091 1.00 0.00 H new ATOM 100 N LEU A 8 -16.350 3.256 -15.175 1.00 0.00 N ATOM 101 CA LEU A 8 -15.483 4.423 -15.291 1.00 0.00 C ATOM 102 C LEU A 8 -14.374 4.176 -16.310 1.00 0.00 C ATOM 103 O LEU A 8 -13.701 5.111 -16.750 1.00 0.00 O ATOM 104 CB LEU A 8 -14.873 4.769 -13.932 1.00 0.00 C ATOM 105 CG LEU A 8 -13.700 3.896 -13.481 1.00 0.00 C ATOM 106 CD1 LEU A 8 -12.383 4.480 -13.968 1.00 0.00 C ATOM 107 CD2 LEU A 8 -13.694 3.754 -11.965 1.00 0.00 C ATOM 0 H LEU A 8 -16.313 2.793 -14.267 1.00 0.00 H new ATOM 0 HA LEU A 8 -16.089 5.262 -15.634 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -14.539 5.806 -13.960 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.657 4.707 -13.178 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.819 2.905 -13.919 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.560 3.846 -13.638 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.388 4.531 -15.057 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -12.256 5.482 -13.559 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.853 3.130 -11.661 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.599 4.739 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.626 3.291 -11.639 1.00 0.00 H new ATOM 119 N LYS A 9 -14.191 2.916 -16.685 1.00 0.00 N ATOM 120 CA LYS A 9 -13.168 2.546 -17.656 1.00 0.00 C ATOM 121 C LYS A 9 -13.746 2.507 -19.067 1.00 0.00 C ATOM 122 O LYS A 9 -13.030 2.250 -20.035 1.00 0.00 O ATOM 123 CB LYS A 9 -12.566 1.185 -17.300 1.00 0.00 C ATOM 124 CG LYS A 9 -13.460 0.013 -17.663 1.00 0.00 C ATOM 125 CD LYS A 9 -13.129 -0.537 -19.041 1.00 0.00 C ATOM 126 CE LYS A 9 -14.361 -0.589 -19.930 1.00 0.00 C ATOM 127 NZ LYS A 9 -14.035 -0.289 -21.351 1.00 0.00 N1+ ATOM 0 H LYS A 9 -14.739 2.132 -16.331 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.383 3.302 -17.626 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.610 1.075 -17.812 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.360 1.157 -16.230 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.347 -0.776 -16.919 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.503 0.329 -17.637 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.367 0.086 -19.509 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.707 -1.537 -18.943 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.815 -1.578 -19.863 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.100 0.126 -19.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.911 -0.268 -21.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.563 0.636 -21.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.403 -1.025 -21.725 1.00 0.00 H new ATOM 141 N GLY A 10 -15.045 2.763 -19.177 1.00 0.00 N ATOM 142 CA GLY A 10 -15.697 2.752 -20.473 1.00 0.00 C ATOM 143 C GLY A 10 -16.753 3.832 -20.601 1.00 0.00 C ATOM 144 O GLY A 10 -17.900 3.549 -20.951 1.00 0.00 O ATOM 0 H GLY A 10 -15.658 2.978 -18.391 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -14.948 2.886 -21.254 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -16.157 1.777 -20.636 1.00 0.00 H new ATOM 148 N ASP A 11 -16.371 5.070 -20.315 1.00 0.00 N ATOM 149 CA ASP A 11 -17.293 6.195 -20.399 1.00 0.00 C ATOM 150 C ASP A 11 -16.617 7.406 -21.032 1.00 0.00 C ATOM 151 O ASP A 11 -17.068 8.538 -20.867 1.00 0.00 O ATOM 152 CB ASP A 11 -17.817 6.557 -19.007 1.00 0.00 C ATOM 153 CG ASP A 11 -19.105 5.831 -18.666 1.00 0.00 C ATOM 154 OD1 ASP A 11 -19.163 4.601 -18.876 1.00 0.00 O ATOM 155 OD2 ASP A 11 -20.051 6.491 -18.191 1.00 0.00 O1- ATOM 0 H ASP A 11 -15.427 5.321 -20.022 1.00 0.00 H new ATOM 0 HA ASP A 11 -18.132 5.899 -21.029 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -17.059 6.315 -18.262 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.985 7.633 -18.953 1.00 0.00 H new ATOM 160 N GLY A 12 -15.530 7.160 -21.756 1.00 0.00 N ATOM 161 CA GLY A 12 -14.808 8.241 -22.402 1.00 0.00 C ATOM 162 C GLY A 12 -14.260 9.247 -21.409 1.00 0.00 C ATOM 163 O GLY A 12 -14.394 10.459 -21.585 1.00 0.00 O ATOM 0 H GLY A 12 -15.136 6.231 -21.907 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.986 7.827 -22.986 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.471 8.750 -23.101 1.00 0.00 H new ATOM 167 N PRO A 13 -13.629 8.744 -20.339 1.00 0.00 N ATOM 168 CA PRO A 13 -13.048 9.592 -19.292 1.00 0.00 C ATOM 169 C PRO A 13 -11.821 10.353 -19.780 1.00 0.00 C ATOM 170 O PRO A 13 -11.770 11.581 -19.705 1.00 0.00 O ATOM 171 CB PRO A 13 -12.657 8.590 -18.202 1.00 0.00 C ATOM 172 CG PRO A 13 -12.455 7.303 -18.925 1.00 0.00 C ATOM 173 CD PRO A 13 -13.434 7.309 -20.066 1.00 0.00 C ATOM 0 HA PRO A 13 -13.744 10.360 -18.955 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -11.749 8.901 -17.686 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.438 8.502 -17.447 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.431 7.217 -19.290 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.630 6.453 -18.265 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -13.040 6.784 -20.936 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -14.370 6.820 -19.795 1.00 0.00 H new ATOM 181 N VAL A 14 -10.832 9.619 -20.280 1.00 0.00 N ATOM 182 CA VAL A 14 -9.605 10.228 -20.780 1.00 0.00 C ATOM 183 C VAL A 14 -9.714 10.536 -22.269 1.00 0.00 C ATOM 184 O VAL A 14 -8.936 11.324 -22.807 1.00 0.00 O ATOM 185 CB VAL A 14 -8.389 9.312 -20.543 1.00 0.00 C ATOM 186 CG1 VAL A 14 -8.252 8.979 -19.066 1.00 0.00 C ATOM 187 CG2 VAL A 14 -8.504 8.045 -21.377 1.00 0.00 C ATOM 0 H VAL A 14 -10.857 8.602 -20.350 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.463 11.158 -20.229 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.490 9.843 -20.856 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.388 8.331 -18.918 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.118 9.899 -18.497 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.152 8.468 -18.723 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.636 7.411 -21.196 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.411 7.508 -21.099 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.548 8.308 -22.434 1.00 0.00 H new ATOM 197 N GLN A 15 -10.681 9.908 -22.929 1.00 0.00 N ATOM 198 CA GLN A 15 -10.891 10.115 -24.358 1.00 0.00 C ATOM 199 C GLN A 15 -11.996 11.137 -24.603 1.00 0.00 C ATOM 200 O GLN A 15 -11.823 12.081 -25.373 1.00 0.00 O ATOM 201 CB GLN A 15 -11.242 8.792 -25.040 1.00 0.00 C ATOM 202 CG GLN A 15 -11.119 8.838 -26.555 1.00 0.00 C ATOM 203 CD GLN A 15 -9.809 8.257 -27.052 1.00 0.00 C ATOM 204 OE1 GLN A 15 -8.877 8.044 -26.275 1.00 0.00 O ATOM 205 NE2 GLN A 15 -9.732 7.996 -28.351 1.00 0.00 N ATOM 0 H GLN A 15 -11.332 9.252 -22.498 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.965 10.500 -24.784 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.589 8.009 -24.654 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.262 8.515 -24.775 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.948 8.288 -27.000 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.205 9.871 -26.892 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.529 8.188 -28.958 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.876 7.603 -28.742 1.00 0.00 H new ATOM 214 N GLY A 16 -13.133 10.942 -23.942 1.00 0.00 N ATOM 215 CA GLY A 16 -14.251 11.855 -24.103 1.00 0.00 C ATOM 216 C GLY A 16 -13.951 13.239 -23.563 1.00 0.00 C ATOM 217 O GLY A 16 -14.401 14.241 -24.120 1.00 0.00 O ATOM 0 H GLY A 16 -13.300 10.169 -23.298 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -14.507 11.928 -25.160 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.124 11.450 -23.591 1.00 0.00 H new ATOM 221 N ILE A 17 -13.189 13.296 -22.477 1.00 0.00 N ATOM 222 CA ILE A 17 -12.830 14.569 -21.862 1.00 0.00 C ATOM 223 C ILE A 17 -11.638 15.205 -22.568 1.00 0.00 C ATOM 224 O ILE A 17 -11.422 16.413 -22.478 1.00 0.00 O ATOM 225 CB ILE A 17 -12.496 14.398 -20.369 1.00 0.00 C ATOM 226 CG1 ILE A 17 -13.661 13.729 -19.636 1.00 0.00 C ATOM 227 CG2 ILE A 17 -12.172 15.745 -19.741 1.00 0.00 C ATOM 228 CD1 ILE A 17 -13.379 13.457 -18.175 1.00 0.00 C ATOM 0 H ILE A 17 -12.808 12.476 -22.004 1.00 0.00 H new ATOM 0 HA ILE A 17 -13.697 15.222 -21.960 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.619 13.757 -20.280 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -14.543 14.365 -19.715 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.900 12.789 -20.133 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.938 15.607 -18.685 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.314 16.186 -20.248 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -13.032 16.408 -19.839 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -14.248 12.982 -17.719 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.517 12.796 -18.088 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.169 14.397 -17.664 1.00 0.00 H new ATOM 240 N ILE A 18 -10.868 14.382 -23.274 1.00 0.00 N ATOM 241 CA ILE A 18 -9.700 14.864 -24.000 1.00 0.00 C ATOM 242 C ILE A 18 -10.102 15.825 -25.114 1.00 0.00 C ATOM 243 O ILE A 18 -9.394 16.789 -25.403 1.00 0.00 O ATOM 244 CB ILE A 18 -8.895 13.700 -24.605 1.00 0.00 C ATOM 245 CG1 ILE A 18 -7.542 13.565 -23.901 1.00 0.00 C ATOM 246 CG2 ILE A 18 -8.698 13.911 -26.101 1.00 0.00 C ATOM 247 CD1 ILE A 18 -6.653 14.777 -24.064 1.00 0.00 C ATOM 0 H ILE A 18 -11.033 13.379 -23.358 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.075 15.391 -23.279 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.456 12.777 -24.457 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.710 13.388 -22.839 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.024 12.689 -24.292 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.127 13.079 -26.514 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.670 13.963 -26.592 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.156 14.842 -26.269 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.712 14.611 -23.540 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.454 14.943 -25.123 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.151 15.652 -23.647 1.00 0.00 H new ATOM 259 N ASN A 19 -11.245 15.553 -25.737 1.00 0.00 N ATOM 260 CA ASN A 19 -11.742 16.394 -26.818 1.00 0.00 C ATOM 261 C ASN A 19 -12.729 17.430 -26.293 1.00 0.00 C ATOM 262 O ASN A 19 -12.925 18.483 -26.902 1.00 0.00 O ATOM 263 CB ASN A 19 -12.412 15.535 -27.893 1.00 0.00 C ATOM 264 CG ASN A 19 -11.564 15.407 -29.144 1.00 0.00 C ATOM 265 OD1 ASN A 19 -10.359 15.664 -29.120 1.00 0.00 O ATOM 266 ND2 ASN A 19 -12.191 15.008 -30.245 1.00 0.00 N ATOM 0 H ASN A 19 -11.843 14.758 -25.511 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.892 16.918 -27.256 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.611 14.542 -27.489 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.376 15.972 -28.154 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.673 14.903 -31.117 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -13.190 14.806 -30.218 1.00 0.00 H new ATOM 273 N PHE A 20 -13.348 17.129 -25.158 1.00 0.00 N ATOM 274 CA PHE A 20 -14.316 18.033 -24.547 1.00 0.00 C ATOM 275 C PHE A 20 -13.611 19.122 -23.745 1.00 0.00 C ATOM 276 O PHE A 20 -14.065 20.265 -23.699 1.00 0.00 O ATOM 277 CB PHE A 20 -15.274 17.256 -23.644 1.00 0.00 C ATOM 278 CG PHE A 20 -16.605 16.972 -24.282 1.00 0.00 C ATOM 279 CD1 PHE A 20 -17.335 17.989 -24.873 1.00 0.00 C ATOM 280 CD2 PHE A 20 -17.125 15.688 -24.290 1.00 0.00 C ATOM 281 CE1 PHE A 20 -18.560 17.732 -25.462 1.00 0.00 C ATOM 282 CE2 PHE A 20 -18.345 15.424 -24.878 1.00 0.00 C ATOM 283 CZ PHE A 20 -19.066 16.447 -25.462 1.00 0.00 C ATOM 0 H PHE A 20 -13.197 16.263 -24.640 1.00 0.00 H new ATOM 0 HA PHE A 20 -14.887 18.507 -25.345 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -14.808 16.312 -23.360 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -15.434 17.821 -22.726 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -16.943 18.995 -24.874 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -16.569 14.884 -23.831 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -19.119 18.534 -25.921 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -18.736 14.417 -24.882 1.00 0.00 H new ATOM 0 HZ PHE A 20 -20.024 16.242 -25.918 1.00 0.00 H new ATOM 293 N GLU A 21 -12.499 18.757 -23.115 1.00 0.00 N ATOM 294 CA GLU A 21 -11.733 19.703 -22.312 1.00 0.00 C ATOM 295 C GLU A 21 -10.760 20.493 -23.183 1.00 0.00 C ATOM 296 O GLU A 21 -10.179 21.484 -22.741 1.00 0.00 O ATOM 297 CB GLU A 21 -10.966 18.968 -21.211 1.00 0.00 C ATOM 298 CG GLU A 21 -10.511 19.871 -20.078 1.00 0.00 C ATOM 299 CD GLU A 21 -9.126 19.518 -19.569 1.00 0.00 C ATOM 300 OE1 GLU A 21 -8.861 18.316 -19.359 1.00 0.00 O ATOM 301 OE2 GLU A 21 -8.310 20.444 -19.378 1.00 0.00 O1- ATOM 0 H GLU A 21 -12.109 17.815 -23.145 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.433 20.401 -21.853 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.599 18.179 -20.804 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.094 18.483 -21.650 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.515 20.906 -20.420 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.224 19.804 -19.256 1.00 0.00 H new ATOM 308 N GLN A 22 -10.587 20.046 -24.423 1.00 0.00 N ATOM 309 CA GLN A 22 -9.684 20.709 -25.355 1.00 0.00 C ATOM 310 C GLN A 22 -10.455 21.607 -26.315 1.00 0.00 C ATOM 311 O GLN A 22 -10.004 22.696 -26.664 1.00 0.00 O ATOM 312 CB GLN A 22 -8.879 19.674 -26.143 1.00 0.00 C ATOM 313 CG GLN A 22 -7.686 19.122 -25.379 1.00 0.00 C ATOM 314 CD GLN A 22 -6.743 18.330 -26.265 1.00 0.00 C ATOM 315 OE1 GLN A 22 -6.738 18.490 -27.484 1.00 0.00 O ATOM 316 NE2 GLN A 22 -5.939 17.469 -25.651 1.00 0.00 N ATOM 0 H GLN A 22 -11.061 19.227 -24.805 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.999 21.329 -24.777 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -9.536 18.849 -26.420 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -8.528 20.128 -27.070 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.141 19.946 -24.919 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.041 18.484 -24.570 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -5.978 17.369 -24.637 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.283 16.908 -26.194 1.00 0.00 H new ATOM 325 N LYS A 23 -11.627 21.142 -26.741 1.00 0.00 N ATOM 326 CA LYS A 23 -12.464 21.903 -27.660 1.00 0.00 C ATOM 327 C LYS A 23 -13.227 22.998 -26.922 1.00 0.00 C ATOM 328 O LYS A 23 -13.413 24.096 -27.444 1.00 0.00 O ATOM 329 CB LYS A 23 -13.449 20.973 -28.373 1.00 0.00 C ATOM 330 CG LYS A 23 -12.785 20.019 -29.352 1.00 0.00 C ATOM 331 CD LYS A 23 -12.071 20.768 -30.463 1.00 0.00 C ATOM 332 CE LYS A 23 -10.566 20.557 -30.401 1.00 0.00 C ATOM 333 NZ LYS A 23 -9.821 21.694 -31.010 1.00 0.00 N1+ ATOM 0 H LYS A 23 -12.017 20.241 -26.463 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.815 22.372 -28.399 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -13.994 20.394 -27.627 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -14.183 21.576 -28.907 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.072 19.389 -28.820 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.536 19.357 -29.783 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.447 20.432 -31.429 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.294 21.832 -30.387 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.259 20.436 -29.362 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.307 19.634 -30.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.799 21.512 -30.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.095 21.794 -32.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.048 22.571 -30.499 1.00 0.00 H new ATOM 347 N GLU A 24 -13.665 22.691 -25.704 1.00 0.00 N ATOM 348 CA GLU A 24 -14.406 23.651 -24.896 1.00 0.00 C ATOM 349 C GLU A 24 -13.456 24.548 -24.108 1.00 0.00 C ATOM 350 O GLU A 24 -13.881 25.302 -23.232 1.00 0.00 O ATOM 351 CB GLU A 24 -15.349 22.921 -23.938 1.00 0.00 C ATOM 352 CG GLU A 24 -16.707 23.592 -23.791 1.00 0.00 C ATOM 353 CD GLU A 24 -17.822 22.597 -23.530 1.00 0.00 C ATOM 354 OE1 GLU A 24 -18.352 22.031 -24.507 1.00 0.00 O ATOM 355 OE2 GLU A 24 -18.162 22.386 -22.346 1.00 0.00 O1- ATOM 0 H GLU A 24 -13.519 21.786 -25.257 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.994 24.277 -25.568 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.494 21.900 -24.292 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.878 22.855 -22.957 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.667 24.311 -22.972 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.931 24.154 -24.698 1.00 0.00 H new ATOM 362 N SER A 25 -12.168 24.461 -24.426 1.00 0.00 N ATOM 363 CA SER A 25 -11.157 25.259 -23.746 1.00 0.00 C ATOM 364 C SER A 25 -10.446 26.187 -24.728 1.00 0.00 C ATOM 365 O SER A 25 -9.410 26.768 -24.410 1.00 0.00 O ATOM 366 CB SER A 25 -10.137 24.350 -23.058 1.00 0.00 C ATOM 367 OG SER A 25 -10.602 23.936 -21.784 1.00 0.00 O ATOM 0 H SER A 25 -11.801 23.845 -25.151 1.00 0.00 H new ATOM 0 HA SER A 25 -11.657 25.868 -22.993 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.945 23.476 -23.681 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.190 24.878 -22.949 1.00 0.00 H new ATOM 0 HG SER A 25 -10.596 22.957 -21.736 1.00 0.00 H new ATOM 373 N ASN A 26 -11.013 26.319 -25.923 1.00 0.00 N ATOM 374 CA ASN A 26 -10.435 27.173 -26.953 1.00 0.00 C ATOM 375 C ASN A 26 -11.359 27.269 -28.164 1.00 0.00 C ATOM 376 O ASN A 26 -11.454 28.313 -28.805 1.00 0.00 O ATOM 377 CB ASN A 26 -9.068 26.639 -27.382 1.00 0.00 C ATOM 378 CG ASN A 26 -7.984 27.697 -27.309 1.00 0.00 C ATOM 379 OD1 ASN A 26 -7.583 28.259 -28.327 1.00 0.00 O ATOM 380 ND2 ASN A 26 -7.505 27.973 -26.103 1.00 0.00 N ATOM 0 H ASN A 26 -11.872 25.845 -26.201 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.312 28.171 -26.533 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -8.794 25.798 -26.746 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -9.133 26.259 -28.402 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.774 28.676 -25.993 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.867 27.482 -25.286 1.00 0.00 H new ATOM 387 N GLY A 27 -12.039 26.167 -28.470 1.00 0.00 N ATOM 388 CA GLY A 27 -12.946 26.147 -29.602 1.00 0.00 C ATOM 389 C GLY A 27 -14.129 27.075 -29.415 1.00 0.00 C ATOM 390 O GLY A 27 -13.975 28.285 -29.239 1.00 0.00 O ATOM 0 H GLY A 27 -11.977 25.289 -27.954 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.403 26.433 -30.503 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.307 25.130 -29.756 1.00 0.00 H new ATOM 394 N PRO A 28 -15.344 26.508 -29.449 1.00 0.00 N ATOM 395 CA PRO A 28 -16.582 27.276 -29.286 1.00 0.00 C ATOM 396 C PRO A 28 -16.758 27.792 -27.861 1.00 0.00 C ATOM 397 O PRO A 28 -17.841 27.692 -27.283 1.00 0.00 O ATOM 398 CB PRO A 28 -17.676 26.261 -29.626 1.00 0.00 C ATOM 399 CG PRO A 28 -17.065 24.933 -29.337 1.00 0.00 C ATOM 400 CD PRO A 28 -15.603 25.071 -29.655 1.00 0.00 C ATOM 0 HA PRO A 28 -16.597 28.166 -29.916 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -18.569 26.425 -29.023 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.977 26.339 -30.671 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -17.213 24.655 -28.294 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -17.524 24.152 -29.943 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.989 24.454 -28.999 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.383 24.765 -30.678 1.00 0.00 H new ATOM 408 N VAL A 29 -15.688 28.344 -27.302 1.00 0.00 N ATOM 409 CA VAL A 29 -15.724 28.879 -25.944 1.00 0.00 C ATOM 410 C VAL A 29 -14.896 30.153 -25.832 1.00 0.00 C ATOM 411 O VAL A 29 -15.297 31.115 -25.178 1.00 0.00 O ATOM 412 CB VAL A 29 -15.206 27.850 -24.922 1.00 0.00 C ATOM 413 CG1 VAL A 29 -15.124 28.470 -23.536 1.00 0.00 C ATOM 414 CG2 VAL A 29 -16.096 26.615 -24.911 1.00 0.00 C ATOM 0 H VAL A 29 -14.784 28.433 -27.767 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.766 29.108 -25.722 1.00 0.00 H new ATOM 0 HB VAL A 29 -14.202 27.544 -25.217 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -14.756 27.728 -22.827 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -14.443 29.321 -23.558 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -16.114 28.806 -23.229 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -15.715 25.899 -24.183 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -17.112 26.901 -24.641 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.099 26.160 -25.901 1.00 0.00 H new ATOM 424 N LYS A 30 -13.733 30.155 -26.477 1.00 0.00 N ATOM 425 CA LYS A 30 -12.845 31.311 -26.452 1.00 0.00 C ATOM 426 C LYS A 30 -12.876 32.047 -27.787 1.00 0.00 C ATOM 427 O LYS A 30 -12.706 33.266 -27.839 1.00 0.00 O ATOM 428 CB LYS A 30 -11.415 30.874 -26.131 1.00 0.00 C ATOM 429 CG LYS A 30 -11.129 30.777 -24.641 1.00 0.00 C ATOM 430 CD LYS A 30 -10.543 29.424 -24.272 1.00 0.00 C ATOM 431 CE LYS A 30 -10.595 29.186 -22.772 1.00 0.00 C ATOM 432 NZ LYS A 30 -11.899 28.608 -22.347 1.00 0.00 N1+ ATOM 0 H LYS A 30 -13.384 29.368 -27.024 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.193 31.990 -25.674 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.228 29.904 -26.592 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.718 31.581 -26.581 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.435 31.566 -24.351 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.050 30.940 -24.081 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.093 28.636 -24.786 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.510 29.368 -24.615 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.788 28.513 -22.483 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.427 30.127 -22.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.776 28.094 -21.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.591 29.373 -22.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.243 27.952 -23.077 1.00 0.00 H new ATOM 446 N VAL A 31 -13.094 31.301 -28.864 1.00 0.00 N ATOM 447 CA VAL A 31 -13.148 31.885 -30.200 1.00 0.00 C ATOM 448 C VAL A 31 -14.368 32.785 -30.357 1.00 0.00 C ATOM 449 O VAL A 31 -14.480 33.531 -31.331 1.00 0.00 O ATOM 450 CB VAL A 31 -13.186 30.794 -31.289 1.00 0.00 C ATOM 451 CG1 VAL A 31 -13.194 31.422 -32.672 1.00 0.00 C ATOM 452 CG2 VAL A 31 -12.007 29.845 -31.131 1.00 0.00 C ATOM 0 H VAL A 31 -13.236 30.291 -28.839 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.243 32.479 -30.322 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.105 30.219 -31.173 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.221 30.637 -33.428 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.073 32.058 -32.778 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -12.294 32.022 -32.804 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.048 29.081 -31.907 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.076 30.404 -31.221 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.051 29.370 -30.151 1.00 0.00 H new ATOM 462 N TRP A 32 -15.277 32.714 -29.392 1.00 0.00 N ATOM 463 CA TRP A 32 -16.489 33.524 -29.421 1.00 0.00 C ATOM 464 C TRP A 32 -16.163 35.001 -29.217 1.00 0.00 C ATOM 465 O TRP A 32 -17.032 35.862 -29.343 1.00 0.00 O ATOM 466 CB TRP A 32 -17.471 33.052 -28.347 1.00 0.00 C ATOM 467 CG TRP A 32 -18.511 32.107 -28.867 1.00 0.00 C ATOM 468 CD1 TRP A 32 -18.344 30.784 -29.159 1.00 0.00 C ATOM 469 CD2 TRP A 32 -19.878 32.416 -29.156 1.00 0.00 C ATOM 470 NE1 TRP A 32 -19.526 30.252 -29.614 1.00 0.00 N ATOM 471 CE2 TRP A 32 -20.482 31.231 -29.621 1.00 0.00 C ATOM 472 CE3 TRP A 32 -20.652 33.575 -29.068 1.00 0.00 C ATOM 473 CZ2 TRP A 32 -21.822 31.174 -29.995 1.00 0.00 C ATOM 474 CZ3 TRP A 32 -21.983 33.520 -29.439 1.00 0.00 C ATOM 475 CH2 TRP A 32 -22.557 32.327 -29.898 1.00 0.00 C ATOM 0 H TRP A 32 -15.198 32.103 -28.579 1.00 0.00 H new ATOM 0 HA TRP A 32 -16.951 33.405 -30.401 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -16.915 32.564 -27.546 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -17.965 33.920 -27.910 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -17.420 30.237 -29.049 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -19.668 29.283 -29.900 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -20.218 34.499 -28.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -22.266 30.255 -30.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -22.590 34.411 -29.374 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -23.599 32.316 -30.181 1.00 0.00 H new ATOM 486 N GLY A 33 -14.903 35.284 -28.900 1.00 0.00 N ATOM 487 CA GLY A 33 -14.485 36.657 -28.685 1.00 0.00 C ATOM 488 C GLY A 33 -13.630 36.814 -27.443 1.00 0.00 C ATOM 489 O GLY A 33 -13.398 37.930 -26.977 1.00 0.00 O ATOM 0 H GLY A 33 -14.166 34.588 -28.788 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.926 37.004 -29.554 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.366 37.293 -28.599 1.00 0.00 H new ATOM 493 N SER A 34 -13.161 35.693 -26.903 1.00 0.00 N ATOM 494 CA SER A 34 -12.331 35.709 -25.705 1.00 0.00 C ATOM 495 C SER A 34 -10.885 36.049 -26.050 1.00 0.00 C ATOM 496 O SER A 34 -10.357 37.075 -25.618 1.00 0.00 O ATOM 497 CB SER A 34 -12.393 34.355 -24.996 1.00 0.00 C ATOM 498 OG SER A 34 -11.594 34.354 -23.828 1.00 0.00 O ATOM 0 H SER A 34 -13.342 34.762 -27.277 1.00 0.00 H new ATOM 0 HA SER A 34 -12.718 36.478 -25.037 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.426 34.125 -24.734 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.054 33.571 -25.673 1.00 0.00 H new ATOM 0 HG SER A 34 -10.648 34.294 -24.079 1.00 0.00 H new ATOM 504 N ILE A 35 -10.250 35.183 -26.832 1.00 0.00 N ATOM 505 CA ILE A 35 -8.865 35.391 -27.236 1.00 0.00 C ATOM 506 C ILE A 35 -8.698 36.722 -27.960 1.00 0.00 C ATOM 507 O ILE A 35 -7.583 37.219 -28.120 1.00 0.00 O ATOM 508 CB ILE A 35 -8.369 34.255 -28.152 1.00 0.00 C ATOM 509 CG1 ILE A 35 -9.391 33.976 -29.255 1.00 0.00 C ATOM 510 CG2 ILE A 35 -8.105 32.997 -27.338 1.00 0.00 C ATOM 511 CD1 ILE A 35 -8.877 33.055 -30.338 1.00 0.00 C ATOM 0 H ILE A 35 -10.673 34.330 -27.199 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.268 35.399 -26.324 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.435 34.566 -28.619 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.283 33.536 -28.809 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.693 34.921 -29.707 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.755 32.203 -27.998 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.345 33.204 -26.585 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.026 32.681 -26.847 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.655 32.902 -31.086 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.002 33.502 -30.811 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.602 32.096 -29.900 1.00 0.00 H new ATOM 523 N LYS A 36 -9.813 37.296 -28.396 1.00 0.00 N ATOM 524 CA LYS A 36 -9.794 38.572 -29.101 1.00 0.00 C ATOM 525 C LYS A 36 -10.589 39.628 -28.339 1.00 0.00 C ATOM 526 O LYS A 36 -10.847 40.715 -28.853 1.00 0.00 O ATOM 527 CB LYS A 36 -10.366 38.408 -30.512 1.00 0.00 C ATOM 528 CG LYS A 36 -11.882 38.319 -30.547 1.00 0.00 C ATOM 529 CD LYS A 36 -12.357 37.311 -31.578 1.00 0.00 C ATOM 530 CE LYS A 36 -11.950 37.718 -32.986 1.00 0.00 C ATOM 531 NZ LYS A 36 -10.921 36.802 -33.552 1.00 0.00 N1+ ATOM 0 H LYS A 36 -10.744 36.897 -28.273 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.758 38.903 -29.171 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.046 39.250 -31.125 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.947 37.508 -30.963 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.254 38.036 -29.562 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.300 39.299 -30.776 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.941 36.330 -31.347 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.442 37.218 -31.524 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.828 37.721 -33.632 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.562 38.736 -32.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.317 37.327 -34.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.337 36.418 -32.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.390 36.021 -34.053 1.00 0.00 H new ATOM 545 N GLY A 37 -10.973 39.300 -27.109 1.00 0.00 N ATOM 546 CA GLY A 37 -11.733 40.230 -26.296 1.00 0.00 C ATOM 547 C GLY A 37 -11.450 40.072 -24.815 1.00 0.00 C ATOM 548 O GLY A 37 -10.865 40.958 -24.189 1.00 0.00 O ATOM 0 H GLY A 37 -10.771 38.406 -26.661 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.498 41.250 -26.601 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.797 40.080 -26.477 1.00 0.00 H new ATOM 552 N LEU A 38 -11.867 38.943 -24.252 1.00 0.00 N ATOM 553 CA LEU A 38 -11.655 38.673 -22.834 1.00 0.00 C ATOM 554 C LEU A 38 -10.179 38.432 -22.540 1.00 0.00 C ATOM 555 O LEU A 38 -9.563 39.159 -21.758 1.00 0.00 O ATOM 556 CB LEU A 38 -12.480 37.458 -22.400 1.00 0.00 C ATOM 557 CG LEU A 38 -13.309 37.631 -21.126 1.00 0.00 C ATOM 558 CD1 LEU A 38 -14.044 36.344 -20.788 1.00 0.00 C ATOM 559 CD2 LEU A 38 -12.420 38.059 -19.966 1.00 0.00 C ATOM 0 H LEU A 38 -12.353 38.201 -24.755 1.00 0.00 H new ATOM 0 HA LEU A 38 -11.979 39.547 -22.269 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.153 37.191 -23.215 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -11.803 36.616 -22.258 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.049 38.413 -21.300 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -14.628 36.487 -19.879 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -14.710 36.079 -21.609 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -13.322 35.542 -20.633 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.026 38.177 -19.068 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.658 37.299 -19.792 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.939 39.007 -20.207 1.00 0.00 H new ATOM 571 N THR A 39 -9.615 37.408 -23.171 1.00 0.00 N ATOM 572 CA THR A 39 -8.209 37.071 -22.978 1.00 0.00 C ATOM 573 C THR A 39 -7.301 38.076 -23.679 1.00 0.00 C ATOM 574 O THR A 39 -6.121 38.192 -23.352 1.00 0.00 O ATOM 575 CB THR A 39 -7.892 35.659 -23.501 1.00 0.00 C ATOM 576 OG1 THR A 39 -9.095 35.019 -23.945 1.00 0.00 O ATOM 577 CG2 THR A 39 -7.231 34.816 -22.423 1.00 0.00 C ATOM 0 H THR A 39 -10.110 36.797 -23.821 1.00 0.00 H new ATOM 0 HA THR A 39 -8.022 37.103 -21.905 1.00 0.00 H new ATOM 0 HB THR A 39 -7.201 35.754 -24.338 1.00 0.00 H new ATOM 0 HG1 THR A 39 -8.870 34.185 -24.407 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.017 33.823 -22.818 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.301 35.290 -22.110 1.00 0.00 H new ATOM 0 HG23 THR A 39 -7.900 34.730 -21.567 1.00 0.00 H new ATOM 585 N GLU A 40 -7.862 38.801 -24.643 1.00 0.00 N ATOM 586 CA GLU A 40 -7.101 39.797 -25.391 1.00 0.00 C ATOM 587 C GLU A 40 -7.203 41.167 -24.728 1.00 0.00 C ATOM 588 O GLU A 40 -6.413 42.065 -25.012 1.00 0.00 O ATOM 589 CB GLU A 40 -7.602 39.878 -26.833 1.00 0.00 C ATOM 590 CG GLU A 40 -7.577 41.283 -27.409 1.00 0.00 C ATOM 591 CD GLU A 40 -7.861 41.308 -28.899 1.00 0.00 C ATOM 592 OE1 GLU A 40 -7.231 40.525 -29.638 1.00 0.00 O ATOM 593 OE2 GLU A 40 -8.718 42.112 -29.324 1.00 0.00 O1- ATOM 0 H GLU A 40 -8.839 38.718 -24.924 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.055 39.490 -25.395 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.990 39.227 -27.458 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.622 39.495 -26.876 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.315 41.897 -26.892 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.601 41.731 -27.221 1.00 0.00 H new ATOM 600 N GLY A 41 -8.183 41.320 -23.842 1.00 0.00 N ATOM 601 CA GLY A 41 -8.370 42.582 -23.153 1.00 0.00 C ATOM 602 C GLY A 41 -7.962 42.515 -21.694 1.00 0.00 C ATOM 603 O GLY A 41 -7.601 43.528 -21.096 1.00 0.00 O ATOM 0 H GLY A 41 -8.851 40.591 -23.590 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.788 43.355 -23.654 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.417 42.877 -23.221 1.00 0.00 H new ATOM 607 N LEU A 42 -8.024 41.319 -21.121 1.00 0.00 N ATOM 608 CA LEU A 42 -7.660 41.120 -19.722 1.00 0.00 C ATOM 609 C LEU A 42 -6.188 40.744 -19.590 1.00 0.00 C ATOM 610 O LEU A 42 -5.498 41.202 -18.679 1.00 0.00 O ATOM 611 CB LEU A 42 -8.535 40.034 -19.095 1.00 0.00 C ATOM 612 CG LEU A 42 -8.055 39.477 -17.754 1.00 0.00 C ATOM 613 CD1 LEU A 42 -9.124 39.654 -16.688 1.00 0.00 C ATOM 614 CD2 LEU A 42 -7.674 38.011 -17.892 1.00 0.00 C ATOM 0 H LEU A 42 -8.323 40.471 -21.603 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.824 42.059 -19.193 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.539 40.437 -18.960 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.616 39.208 -19.801 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.170 40.035 -17.447 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.764 39.252 -15.741 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.348 40.714 -16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.028 39.123 -16.987 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.335 37.631 -16.928 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.541 37.439 -18.223 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.873 37.911 -18.624 1.00 0.00 H new ATOM 626 N HIS A 43 -5.711 39.909 -20.507 1.00 0.00 N ATOM 627 CA HIS A 43 -4.320 39.472 -20.496 1.00 0.00 C ATOM 628 C HIS A 43 -3.610 39.884 -21.783 1.00 0.00 C ATOM 629 O HIS A 43 -2.381 39.885 -21.852 1.00 0.00 O ATOM 630 CB HIS A 43 -4.240 37.955 -20.319 1.00 0.00 C ATOM 631 CG HIS A 43 -3.208 37.519 -19.325 1.00 0.00 C ATOM 632 ND1 HIS A 43 -3.269 37.844 -17.986 1.00 0.00 N ATOM 633 CD2 HIS A 43 -2.084 36.783 -19.483 1.00 0.00 C ATOM 634 CE1 HIS A 43 -2.226 37.325 -17.363 1.00 0.00 C ATOM 635 NE2 HIS A 43 -1.492 36.676 -18.247 1.00 0.00 N ATOM 0 H HIS A 43 -6.268 39.521 -21.268 1.00 0.00 H new ATOM 0 HA HIS A 43 -3.821 39.955 -19.656 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -5.215 37.583 -20.004 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.020 37.497 -21.283 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.720 36.359 -20.407 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -2.011 37.416 -16.309 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -0.626 36.176 -18.046 1.00 0.00 H new ATOM 643 N GLY A 44 -4.393 40.233 -22.799 1.00 0.00 N ATOM 644 CA GLY A 44 -3.821 40.641 -24.069 1.00 0.00 C ATOM 645 C GLY A 44 -3.809 42.147 -24.242 1.00 0.00 C ATOM 646 O GLY A 44 -3.682 42.650 -25.359 1.00 0.00 O ATOM 0 H GLY A 44 -5.412 40.241 -22.766 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.802 40.262 -24.144 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.390 40.189 -24.882 1.00 0.00 H new ATOM 650 N PHE A 45 -3.947 42.871 -23.134 1.00 0.00 N ATOM 651 CA PHE A 45 -3.953 44.327 -23.170 1.00 0.00 C ATOM 652 C PHE A 45 -3.942 44.906 -21.757 1.00 0.00 C ATOM 653 O PHE A 45 -3.404 45.988 -21.522 1.00 0.00 O ATOM 654 CB PHE A 45 -5.181 44.836 -23.929 1.00 0.00 C ATOM 655 CG PHE A 45 -5.553 46.249 -23.591 1.00 0.00 C ATOM 656 CD1 PHE A 45 -6.411 46.520 -22.534 1.00 0.00 C ATOM 657 CD2 PHE A 45 -5.048 47.308 -24.326 1.00 0.00 C ATOM 658 CE1 PHE A 45 -6.756 47.821 -22.222 1.00 0.00 C ATOM 659 CE2 PHE A 45 -5.388 48.613 -24.019 1.00 0.00 C ATOM 660 CZ PHE A 45 -6.241 48.868 -22.964 1.00 0.00 C ATOM 0 H PHE A 45 -4.056 42.471 -22.202 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.052 44.655 -23.688 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.991 44.766 -25.000 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.028 44.185 -23.712 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.813 45.706 -21.950 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.379 47.112 -25.151 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.427 48.020 -21.400 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.988 49.429 -24.602 1.00 0.00 H new ATOM 0 HZ PHE A 45 -6.506 49.886 -22.718 1.00 0.00 H new ATOM 670 N HIS A 46 -4.537 44.175 -20.820 1.00 0.00 N ATOM 671 CA HIS A 46 -4.597 44.613 -19.431 1.00 0.00 C ATOM 672 C HIS A 46 -3.321 44.230 -18.686 1.00 0.00 C ATOM 673 O HIS A 46 -2.680 45.072 -18.057 1.00 0.00 O ATOM 674 CB HIS A 46 -5.812 44.004 -18.732 1.00 0.00 C ATOM 675 CG HIS A 46 -6.913 44.987 -18.479 1.00 0.00 C ATOM 676 ND1 HIS A 46 -8.247 44.686 -18.665 1.00 0.00 N ATOM 677 CD2 HIS A 46 -6.875 46.270 -18.053 1.00 0.00 C ATOM 678 CE1 HIS A 46 -8.980 45.744 -18.364 1.00 0.00 C ATOM 679 NE2 HIS A 46 -8.170 46.719 -17.990 1.00 0.00 N ATOM 0 H HIS A 46 -4.985 43.276 -20.998 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.691 45.699 -19.422 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -6.199 43.186 -19.340 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.496 43.573 -17.782 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.989 46.837 -17.808 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -10.057 45.802 -18.415 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.460 47.653 -17.701 1.00 0.00 H new ATOM 687 N VAL A 47 -2.959 42.954 -18.761 1.00 0.00 N ATOM 688 CA VAL A 47 -1.761 42.458 -18.094 1.00 0.00 C ATOM 689 C VAL A 47 -0.546 42.542 -19.012 1.00 0.00 C ATOM 690 O VAL A 47 0.587 42.680 -18.548 1.00 0.00 O ATOM 691 CB VAL A 47 -1.939 41.002 -17.629 1.00 0.00 C ATOM 692 CG1 VAL A 47 -0.668 40.494 -16.964 1.00 0.00 C ATOM 693 CG2 VAL A 47 -3.125 40.884 -16.685 1.00 0.00 C ATOM 0 H VAL A 47 -3.478 42.244 -19.277 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.599 43.092 -17.222 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.137 40.383 -18.504 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.813 39.463 -16.642 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.157 40.540 -17.674 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.437 41.115 -16.099 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.235 39.847 -16.367 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.960 41.516 -15.812 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.032 41.204 -17.198 1.00 0.00 H new ATOM 703 N HIS A 48 -0.791 42.461 -20.316 1.00 0.00 N ATOM 704 CA HIS A 48 0.283 42.530 -21.301 1.00 0.00 C ATOM 705 C HIS A 48 0.072 43.701 -22.254 1.00 0.00 C ATOM 706 O HIS A 48 0.367 43.604 -23.446 1.00 0.00 O ATOM 707 CB HIS A 48 0.364 41.224 -22.089 1.00 0.00 C ATOM 708 CG HIS A 48 0.716 40.035 -21.246 1.00 0.00 C ATOM 709 ND1 HIS A 48 1.924 39.377 -21.339 1.00 0.00 N ATOM 710 CD2 HIS A 48 0.010 39.388 -20.289 1.00 0.00 C ATOM 711 CE1 HIS A 48 1.946 38.377 -20.477 1.00 0.00 C ATOM 712 NE2 HIS A 48 0.795 38.363 -19.827 1.00 0.00 N ATOM 0 H HIS A 48 -1.723 42.348 -20.715 1.00 0.00 H new ATOM 0 HA HIS A 48 1.222 42.683 -20.769 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.594 41.043 -22.576 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.107 41.332 -22.879 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -0.986 39.634 -19.952 1.00 0.00 H new ATOM 0 HE1 HIS A 48 2.764 37.688 -20.328 1.00 0.00 H new ATOM 0 HE2 HIS A 48 0.533 37.698 -19.100 1.00 0.00 H new ATOM 720 N GLU A 49 -0.444 44.805 -21.724 1.00 0.00 N ATOM 721 CA GLU A 49 -0.696 45.994 -22.529 1.00 0.00 C ATOM 722 C GLU A 49 0.410 46.197 -23.563 1.00 0.00 C ATOM 723 O GLU A 49 0.140 46.487 -24.728 1.00 0.00 O ATOM 724 CB GLU A 49 -0.805 47.231 -21.636 1.00 0.00 C ATOM 725 CG GLU A 49 -1.759 48.286 -22.170 1.00 0.00 C ATOM 726 CD GLU A 49 -2.527 48.988 -21.068 1.00 0.00 C ATOM 727 OE1 GLU A 49 -3.145 48.292 -20.237 1.00 0.00 O ATOM 728 OE2 GLU A 49 -2.513 50.238 -21.036 1.00 0.00 O1- ATOM 0 H GLU A 49 -0.696 44.901 -20.740 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.640 45.850 -23.054 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.135 46.924 -20.644 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.184 47.673 -21.520 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.196 49.023 -22.742 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.463 47.819 -22.858 1.00 0.00 H new ATOM 735 N PHE A 50 1.656 46.043 -23.124 1.00 0.00 N ATOM 736 CA PHE A 50 2.804 46.210 -24.008 1.00 0.00 C ATOM 737 C PHE A 50 4.056 45.591 -23.395 1.00 0.00 C ATOM 738 O PHE A 50 5.166 46.084 -23.596 1.00 0.00 O ATOM 739 CB PHE A 50 3.041 47.695 -24.295 1.00 0.00 C ATOM 740 CG PHE A 50 3.406 47.977 -25.725 1.00 0.00 C ATOM 741 CD1 PHE A 50 2.499 47.737 -26.745 1.00 0.00 C ATOM 742 CD2 PHE A 50 4.653 48.484 -26.047 1.00 0.00 C ATOM 743 CE1 PHE A 50 2.831 47.997 -28.061 1.00 0.00 C ATOM 744 CE2 PHE A 50 4.990 48.746 -27.363 1.00 0.00 C ATOM 745 CZ PHE A 50 4.079 48.502 -28.371 1.00 0.00 C ATOM 0 H PHE A 50 1.896 45.803 -22.162 1.00 0.00 H new ATOM 0 HA PHE A 50 2.589 45.696 -24.945 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.141 48.254 -24.041 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.837 48.060 -23.646 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.522 47.342 -26.509 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.370 48.677 -25.263 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.115 47.806 -28.847 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.966 49.142 -27.602 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.341 48.705 -29.399 1.00 0.00 H new ATOM 755 N GLY A 51 3.869 44.510 -22.647 1.00 0.00 N ATOM 756 CA GLY A 51 4.993 43.841 -22.015 1.00 0.00 C ATOM 757 C GLY A 51 4.708 43.464 -20.575 1.00 0.00 C ATOM 758 O GLY A 51 5.006 42.349 -20.148 1.00 0.00 O ATOM 0 H GLY A 51 2.960 44.084 -22.466 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.242 42.943 -22.580 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.866 44.492 -22.051 1.00 0.00 H new ATOM 762 N ASP A 52 4.129 44.395 -19.823 1.00 0.00 N ATOM 763 CA ASP A 52 3.806 44.154 -18.423 1.00 0.00 C ATOM 764 C ASP A 52 2.808 45.189 -17.911 1.00 0.00 C ATOM 765 O ASP A 52 3.038 45.838 -16.891 1.00 0.00 O ATOM 766 CB ASP A 52 5.075 44.187 -17.571 1.00 0.00 C ATOM 767 CG ASP A 52 5.784 42.848 -17.537 1.00 0.00 C ATOM 768 OD1 ASP A 52 5.228 41.898 -16.942 1.00 0.00 O ATOM 769 OD2 ASP A 52 6.891 42.746 -18.104 1.00 0.00 O1- ATOM 0 H ASP A 52 3.874 45.323 -20.161 1.00 0.00 H new ATOM 0 HA ASP A 52 3.352 43.166 -18.345 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.753 44.944 -17.964 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.819 44.485 -16.554 1.00 0.00 H new ATOM 774 N ASN A 53 1.698 45.340 -18.629 1.00 0.00 N ATOM 775 CA ASN A 53 0.666 46.297 -18.249 1.00 0.00 C ATOM 776 C ASN A 53 1.127 47.726 -18.510 1.00 0.00 C ATOM 777 O ASN A 53 0.615 48.403 -19.403 1.00 0.00 O ATOM 778 CB ASN A 53 0.306 46.129 -16.770 1.00 0.00 C ATOM 779 CG ASN A 53 -1.067 46.681 -16.444 1.00 0.00 C ATOM 780 OD1 ASN A 53 -1.554 47.600 -17.105 1.00 0.00 O ATOM 781 ND2 ASN A 53 -1.702 46.125 -15.418 1.00 0.00 N ATOM 0 H ASN A 53 1.491 44.812 -19.477 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.217 46.102 -18.857 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.341 45.072 -16.508 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.053 46.634 -16.157 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.629 46.457 -15.151 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.263 45.366 -14.897 1.00 0.00 H new ATOM 788 N THR A 54 2.100 48.182 -17.727 1.00 0.00 N ATOM 789 CA THR A 54 2.631 49.533 -17.874 1.00 0.00 C ATOM 790 C THR A 54 4.019 49.648 -17.254 1.00 0.00 C ATOM 791 O THR A 54 4.471 50.742 -16.923 1.00 0.00 O ATOM 792 CB THR A 54 1.702 50.575 -17.222 1.00 0.00 C ATOM 793 OG1 THR A 54 0.481 49.952 -16.808 1.00 0.00 O ATOM 794 CG2 THR A 54 1.397 51.709 -18.192 1.00 0.00 C ATOM 0 H THR A 54 2.537 47.636 -16.984 1.00 0.00 H new ATOM 0 HA THR A 54 2.696 49.733 -18.943 1.00 0.00 H new ATOM 0 HB THR A 54 2.210 50.989 -16.351 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.103 50.621 -16.393 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.740 52.433 -17.710 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.326 52.199 -18.482 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.907 51.307 -19.079 1.00 0.00 H new ATOM 802 N ALA A 55 4.691 48.511 -17.105 1.00 0.00 N ATOM 803 CA ALA A 55 6.029 48.486 -16.528 1.00 0.00 C ATOM 804 C ALA A 55 6.080 49.272 -15.223 1.00 0.00 C ATOM 805 O ALA A 55 7.112 49.836 -14.867 1.00 0.00 O ATOM 806 CB ALA A 55 7.041 49.041 -17.520 1.00 0.00 C ATOM 0 H ALA A 55 4.331 47.596 -17.376 1.00 0.00 H new ATOM 0 HA ALA A 55 6.283 47.449 -16.307 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.036 49.017 -17.076 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.033 48.435 -18.426 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.780 50.070 -17.769 1.00 0.00 H new ATOM 812 N GLY A 56 4.955 49.306 -14.513 1.00 0.00 N ATOM 813 CA GLY A 56 4.893 50.026 -13.255 1.00 0.00 C ATOM 814 C GLY A 56 4.351 49.174 -12.124 1.00 0.00 C ATOM 815 O GLY A 56 4.754 49.329 -10.972 1.00 0.00 O ATOM 0 H GLY A 56 4.086 48.848 -14.787 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.890 50.380 -12.993 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.263 50.908 -13.375 1.00 0.00 H new ATOM 819 N CYS A 57 3.432 48.272 -12.455 1.00 0.00 N ATOM 820 CA CYS A 57 2.830 47.393 -11.458 1.00 0.00 C ATOM 821 C CYS A 57 2.937 45.934 -11.885 1.00 0.00 C ATOM 822 O CYS A 57 2.162 45.087 -11.442 1.00 0.00 O ATOM 823 CB CYS A 57 1.366 47.768 -11.237 1.00 0.00 C ATOM 824 SG CYS A 57 1.086 49.532 -10.952 1.00 0.00 S ATOM 0 H CYS A 57 3.088 48.131 -13.405 1.00 0.00 H new ATOM 0 HA CYS A 57 3.374 47.518 -10.522 1.00 0.00 H new ATOM 0 HB2 CYS A 57 0.788 47.456 -12.107 1.00 0.00 H new ATOM 0 HB3 CYS A 57 0.984 47.209 -10.383 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.184 49.747 -10.778 1.00 0.00 H new ATOM 830 N THR A 58 3.902 45.645 -12.752 1.00 0.00 N ATOM 831 CA THR A 58 4.109 44.288 -13.244 1.00 0.00 C ATOM 832 C THR A 58 5.462 44.154 -13.935 1.00 0.00 C ATOM 833 O THR A 58 5.651 43.282 -14.783 1.00 0.00 O ATOM 834 CB THR A 58 3.000 43.870 -14.225 1.00 0.00 C ATOM 835 OG1 THR A 58 2.007 44.900 -14.310 1.00 0.00 O ATOM 836 CG2 THR A 58 2.349 42.568 -13.786 1.00 0.00 C ATOM 0 H THR A 58 4.554 46.333 -13.129 1.00 0.00 H new ATOM 0 HA THR A 58 4.081 43.630 -12.376 1.00 0.00 H new ATOM 0 HB THR A 58 3.452 43.719 -15.205 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.136 44.499 -14.509 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.568 42.294 -14.496 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.101 41.779 -13.751 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.911 42.696 -12.796 1.00 0.00 H new ATOM 844 N SER A 59 6.398 45.022 -13.567 1.00 0.00 N ATOM 845 CA SER A 59 7.732 45.001 -14.156 1.00 0.00 C ATOM 846 C SER A 59 8.663 45.961 -13.422 1.00 0.00 C ATOM 847 O SER A 59 9.853 45.690 -13.262 1.00 0.00 O ATOM 848 CB SER A 59 7.665 45.370 -15.639 1.00 0.00 C ATOM 849 OG SER A 59 8.200 44.336 -16.446 1.00 0.00 O ATOM 0 H SER A 59 6.258 45.748 -12.864 1.00 0.00 H new ATOM 0 HA SER A 59 8.130 43.991 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.630 45.559 -15.924 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.217 46.294 -15.813 1.00 0.00 H new ATOM 0 HG SER A 59 8.159 44.602 -17.388 1.00 0.00 H new ATOM 855 N ALA A 60 8.114 47.088 -12.980 1.00 0.00 N ATOM 856 CA ALA A 60 8.892 48.089 -12.261 1.00 0.00 C ATOM 857 C ALA A 60 9.401 47.538 -10.933 1.00 0.00 C ATOM 858 O ALA A 60 10.321 48.092 -10.333 1.00 0.00 O ATOM 859 CB ALA A 60 8.061 49.340 -12.033 1.00 0.00 C ATOM 0 H ALA A 60 7.132 47.331 -13.108 1.00 0.00 H new ATOM 0 HA ALA A 60 9.757 48.349 -12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.655 50.079 -11.495 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.753 49.752 -12.994 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.178 49.088 -11.446 1.00 0.00 H new ATOM 865 N GLY A 61 8.795 46.446 -10.477 1.00 0.00 N ATOM 866 CA GLY A 61 9.200 45.841 -9.223 1.00 0.00 C ATOM 867 C GLY A 61 10.642 45.372 -9.245 1.00 0.00 C ATOM 868 O GLY A 61 11.430 45.758 -10.107 1.00 0.00 O ATOM 0 H GLY A 61 8.030 45.970 -10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.068 46.562 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.549 44.995 -9.004 1.00 0.00 H new ATOM 872 N PRO A 62 11.005 44.521 -8.275 1.00 0.00 N ATOM 873 CA PRO A 62 12.363 43.981 -8.162 1.00 0.00 C ATOM 874 C PRO A 62 12.690 42.998 -9.282 1.00 0.00 C ATOM 875 O PRO A 62 11.958 42.899 -10.267 1.00 0.00 O ATOM 876 CB PRO A 62 12.351 43.264 -6.809 1.00 0.00 C ATOM 877 CG PRO A 62 10.920 42.915 -6.579 1.00 0.00 C ATOM 878 CD PRO A 62 10.117 44.018 -7.211 1.00 0.00 C ATOM 0 HA PRO A 62 13.119 44.762 -8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 62 12.978 42.373 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 62 12.734 43.907 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.677 41.951 -7.025 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.704 42.837 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.175 43.648 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.870 44.798 -6.491 1.00 0.00 H new ATOM 886 N HIS A 63 13.793 42.274 -9.124 1.00 0.00 N ATOM 887 CA HIS A 63 14.218 41.298 -10.123 1.00 0.00 C ATOM 888 C HIS A 63 14.607 41.990 -11.427 1.00 0.00 C ATOM 889 O HIS A 63 14.502 41.405 -12.505 1.00 0.00 O ATOM 890 CB HIS A 63 13.103 40.286 -10.381 1.00 0.00 C ATOM 891 CG HIS A 63 13.563 38.860 -10.325 1.00 0.00 C ATOM 892 ND1 HIS A 63 13.860 38.122 -11.451 1.00 0.00 N ATOM 893 CD2 HIS A 63 13.780 38.041 -9.271 1.00 0.00 C ATOM 894 CE1 HIS A 63 14.236 36.909 -11.092 1.00 0.00 C ATOM 895 NE2 HIS A 63 14.197 36.834 -9.773 1.00 0.00 N ATOM 0 H HIS A 63 14.409 42.344 -8.314 1.00 0.00 H new ATOM 0 HA HIS A 63 15.092 40.774 -9.737 1.00 0.00 H new ATOM 0 HB2 HIS A 63 12.312 40.433 -9.645 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.667 40.480 -11.361 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.649 38.290 -8.228 1.00 0.00 H new ATOM 0 HE1 HIS A 63 14.526 36.113 -11.762 1.00 0.00 H new ATOM 0 HE2 HIS A 63 14.438 36.012 -9.218 1.00 0.00 H new ATOM 903 N PHE A 64 15.055 43.236 -11.319 1.00 0.00 N ATOM 904 CA PHE A 64 15.457 44.005 -12.489 1.00 0.00 C ATOM 905 C PHE A 64 16.877 44.542 -12.327 1.00 0.00 C ATOM 906 O PHE A 64 17.084 45.746 -12.179 1.00 0.00 O ATOM 907 CB PHE A 64 14.487 45.166 -12.722 1.00 0.00 C ATOM 908 CG PHE A 64 13.346 44.819 -13.635 1.00 0.00 C ATOM 909 CD1 PHE A 64 12.496 43.766 -13.335 1.00 0.00 C ATOM 910 CD2 PHE A 64 13.124 45.545 -14.794 1.00 0.00 C ATOM 911 CE1 PHE A 64 11.447 43.444 -14.174 1.00 0.00 C ATOM 912 CE2 PHE A 64 12.075 45.228 -15.638 1.00 0.00 C ATOM 913 CZ PHE A 64 11.235 44.177 -15.328 1.00 0.00 C ATOM 0 H PHE A 64 15.149 43.734 -10.434 1.00 0.00 H new ATOM 0 HA PHE A 64 15.434 43.341 -13.353 1.00 0.00 H new ATOM 0 HB2 PHE A 64 14.087 45.493 -11.762 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.036 46.009 -13.143 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.656 43.191 -12.435 1.00 0.00 H new ATOM 0 HD2 PHE A 64 13.778 46.368 -15.041 1.00 0.00 H new ATOM 0 HE1 PHE A 64 10.793 42.620 -13.929 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.913 45.802 -16.538 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.415 43.928 -15.985 1.00 0.00 H new ATOM 923 N ASN A 65 17.852 43.638 -12.352 1.00 0.00 N ATOM 924 CA ASN A 65 19.251 44.019 -12.206 1.00 0.00 C ATOM 925 C ASN A 65 19.953 44.043 -13.562 1.00 0.00 C ATOM 926 O ASN A 65 19.502 43.435 -14.533 1.00 0.00 O ATOM 927 CB ASN A 65 19.969 43.050 -11.265 1.00 0.00 C ATOM 928 CG ASN A 65 19.779 43.412 -9.806 1.00 0.00 C ATOM 929 OD1 ASN A 65 18.840 44.126 -9.450 1.00 0.00 O ATOM 930 ND2 ASN A 65 20.672 42.925 -8.954 1.00 0.00 N ATOM 0 H ASN A 65 17.698 42.637 -12.472 1.00 0.00 H new ATOM 0 HA ASN A 65 19.286 45.022 -11.781 1.00 0.00 H new ATOM 0 HB2 ASN A 65 19.598 42.040 -11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 65 21.034 43.043 -11.499 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.597 43.138 -7.959 1.00 0.00 H new ATOM 0 HD22 ASN A 65 21.434 42.338 -9.294 1.00 0.00 H new ATOM 937 N PRO A 66 21.084 44.759 -13.629 1.00 0.00 N ATOM 938 CA PRO A 66 21.873 44.879 -14.859 1.00 0.00 C ATOM 939 C PRO A 66 22.563 43.574 -15.234 1.00 0.00 C ATOM 940 O PRO A 66 23.757 43.554 -15.536 1.00 0.00 O ATOM 941 CB PRO A 66 22.909 45.952 -14.512 1.00 0.00 C ATOM 942 CG PRO A 66 23.039 45.888 -13.031 1.00 0.00 C ATOM 943 CD PRO A 66 21.680 45.509 -12.511 1.00 0.00 C ATOM 0 HA PRO A 66 21.252 45.129 -15.719 1.00 0.00 H new ATOM 0 HB2 PRO A 66 23.862 45.755 -15.002 1.00 0.00 H new ATOM 0 HB3 PRO A 66 22.581 46.939 -14.838 1.00 0.00 H new ATOM 0 HG2 PRO A 66 23.788 45.153 -12.737 1.00 0.00 H new ATOM 0 HG3 PRO A 66 23.358 46.848 -12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 66 21.750 44.899 -11.610 1.00 0.00 H new ATOM 0 HD3 PRO A 66 21.088 46.388 -12.256 1.00 0.00 H new ATOM 951 N LEU A 67 21.806 42.482 -15.215 1.00 0.00 N ATOM 952 CA LEU A 67 22.344 41.169 -15.553 1.00 0.00 C ATOM 953 C LEU A 67 21.268 40.095 -15.448 1.00 0.00 C ATOM 954 O LEU A 67 21.565 38.925 -15.204 1.00 0.00 O ATOM 955 CB LEU A 67 23.517 40.826 -14.634 1.00 0.00 C ATOM 956 CG LEU A 67 23.290 41.060 -13.140 1.00 0.00 C ATOM 957 CD1 LEU A 67 23.512 39.774 -12.360 1.00 0.00 C ATOM 958 CD2 LEU A 67 24.206 42.161 -12.628 1.00 0.00 C ATOM 0 H LEU A 67 20.816 42.480 -14.969 1.00 0.00 H new ATOM 0 HA LEU A 67 22.696 41.202 -16.584 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.774 39.777 -14.782 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.381 41.413 -14.946 1.00 0.00 H new ATOM 0 HG LEU A 67 22.257 41.377 -12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.346 39.959 -11.299 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.815 39.012 -12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.534 39.428 -12.513 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.031 42.314 -11.563 1.00 0.00 H new ATOM 0 HD22 LEU A 67 25.245 41.873 -12.787 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.999 43.086 -13.166 1.00 0.00 H new ATOM 970 N SER A 68 20.015 40.500 -15.636 1.00 0.00 N ATOM 971 CA SER A 68 18.894 39.571 -15.558 1.00 0.00 C ATOM 972 C SER A 68 17.644 40.173 -16.194 1.00 0.00 C ATOM 973 O SER A 68 16.520 39.870 -15.794 1.00 0.00 O ATOM 974 CB SER A 68 18.609 39.200 -14.102 1.00 0.00 C ATOM 975 OG SER A 68 19.624 38.356 -13.582 1.00 0.00 O ATOM 0 H SER A 68 19.752 41.463 -15.843 1.00 0.00 H new ATOM 0 HA SER A 68 19.164 38.670 -16.108 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.541 40.106 -13.499 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.644 38.698 -14.034 1.00 0.00 H new ATOM 0 HG SER A 68 20.288 38.175 -14.279 1.00 0.00 H new ATOM 981 N ARG A 69 17.851 41.033 -17.187 1.00 0.00 N ATOM 982 CA ARG A 69 16.742 41.681 -17.878 1.00 0.00 C ATOM 983 C ARG A 69 17.242 42.464 -19.091 1.00 0.00 C ATOM 984 O ARG A 69 16.577 42.515 -20.126 1.00 0.00 O ATOM 985 CB ARG A 69 15.995 42.615 -16.925 1.00 0.00 C ATOM 986 CG ARG A 69 16.902 43.595 -16.198 1.00 0.00 C ATOM 987 CD ARG A 69 16.592 45.032 -16.583 1.00 0.00 C ATOM 988 NE ARG A 69 17.793 45.865 -16.599 1.00 0.00 N ATOM 989 CZ ARG A 69 17.765 47.192 -16.568 1.00 0.00 C ATOM 990 NH1 ARG A 69 16.607 47.835 -16.517 1.00 0.00 N1+ ATOM 991 NH2 ARG A 69 18.900 47.881 -16.585 1.00 0.00 N ATOM 0 H ARG A 69 18.775 41.297 -17.530 1.00 0.00 H new ATOM 0 HA ARG A 69 16.058 40.906 -18.224 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.248 43.174 -17.489 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.458 42.016 -16.190 1.00 0.00 H new ATOM 0 HG2 ARG A 69 16.783 43.472 -15.121 1.00 0.00 H new ATOM 0 HG3 ARG A 69 17.943 43.371 -16.432 1.00 0.00 H new ATOM 0 HD2 ARG A 69 16.124 45.051 -17.567 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.871 45.449 -15.880 1.00 0.00 H new ATOM 0 HE ARG A 69 18.701 45.402 -16.636 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.733 47.310 -16.501 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.590 48.855 -16.493 1.00 0.00 H new ATOM 0 HH21 ARG A 69 19.794 47.391 -16.622 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.878 48.900 -16.561 1.00 0.00 H new ATOM 1005 N LYS A 70 18.411 43.076 -18.951 1.00 0.00 N ATOM 1006 CA LYS A 70 19.001 43.855 -20.032 1.00 0.00 C ATOM 1007 C LYS A 70 18.772 43.178 -21.381 1.00 0.00 C ATOM 1008 O LYS A 70 18.484 43.840 -22.378 1.00 0.00 O ATOM 1009 CB LYS A 70 20.501 44.047 -19.795 1.00 0.00 C ATOM 1010 CG LYS A 70 20.882 45.470 -19.421 1.00 0.00 C ATOM 1011 CD LYS A 70 21.872 45.497 -18.268 1.00 0.00 C ATOM 1012 CE LYS A 70 23.308 45.532 -18.768 1.00 0.00 C ATOM 1013 NZ LYS A 70 24.052 46.708 -18.236 1.00 0.00 N1+ ATOM 0 H LYS A 70 18.970 43.048 -18.098 1.00 0.00 H new ATOM 0 HA LYS A 70 18.515 44.830 -20.047 1.00 0.00 H new ATOM 0 HB2 LYS A 70 20.824 43.373 -19.001 1.00 0.00 H new ATOM 0 HB3 LYS A 70 21.042 43.760 -20.697 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.316 45.971 -20.286 1.00 0.00 H new ATOM 0 HG3 LYS A 70 19.986 46.027 -19.146 1.00 0.00 H new ATOM 0 HD2 LYS A 70 21.681 46.370 -17.644 1.00 0.00 H new ATOM 0 HD3 LYS A 70 21.725 44.618 -17.640 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.818 44.615 -18.472 1.00 0.00 H new ATOM 0 HE3 LYS A 70 23.313 45.562 -19.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 25.026 46.696 -18.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 23.580 47.584 -18.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 24.070 46.666 -17.197 1.00 0.00 H new ATOM 1027 N HIS A 71 18.901 41.856 -21.401 1.00 0.00 N ATOM 1028 CA HIS A 71 18.707 41.089 -22.627 1.00 0.00 C ATOM 1029 C HIS A 71 17.557 41.662 -23.450 1.00 0.00 C ATOM 1030 O HIS A 71 17.654 41.784 -24.670 1.00 0.00 O ATOM 1031 CB HIS A 71 18.428 39.623 -22.296 1.00 0.00 C ATOM 1032 CG HIS A 71 19.550 38.950 -21.566 1.00 0.00 C ATOM 1033 ND1 HIS A 71 19.369 38.241 -20.397 1.00 0.00 N ATOM 1034 CD2 HIS A 71 20.872 38.881 -21.845 1.00 0.00 C ATOM 1035 CE1 HIS A 71 20.532 37.766 -19.988 1.00 0.00 C ATOM 1036 NE2 HIS A 71 21.461 38.140 -20.850 1.00 0.00 N ATOM 0 H HIS A 71 19.139 41.294 -20.584 1.00 0.00 H new ATOM 0 HA HIS A 71 19.622 41.155 -23.216 1.00 0.00 H new ATOM 0 HB2 HIS A 71 17.523 39.561 -21.691 1.00 0.00 H new ATOM 0 HB3 HIS A 71 18.231 39.081 -23.221 1.00 0.00 H new ATOM 0 HD2 HIS A 71 21.371 39.326 -22.693 1.00 0.00 H new ATOM 0 HE1 HIS A 71 20.696 37.173 -19.100 1.00 0.00 H new ATOM 0 HE2 HIS A 71 22.454 37.915 -20.787 1.00 0.00 H new ATOM 1044 N GLY A 72 16.469 42.015 -22.774 1.00 0.00 N ATOM 1045 CA GLY A 72 15.316 42.571 -23.459 1.00 0.00 C ATOM 1046 C GLY A 72 14.910 43.923 -22.906 1.00 0.00 C ATOM 1047 O GLY A 72 14.070 44.611 -23.486 1.00 0.00 O ATOM 0 H GLY A 72 16.365 41.926 -21.763 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.540 42.669 -24.521 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.478 41.880 -23.373 1.00 0.00 H new ATOM 1051 N GLY A 73 15.507 44.303 -21.781 1.00 0.00 N ATOM 1052 CA GLY A 73 15.187 45.581 -21.168 1.00 0.00 C ATOM 1053 C GLY A 73 13.726 45.685 -20.773 1.00 0.00 C ATOM 1054 O GLY A 73 12.889 44.885 -21.190 1.00 0.00 O ATOM 0 H GLY A 73 16.205 43.751 -21.283 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.810 45.723 -20.285 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.431 46.385 -21.863 1.00 0.00 H new ATOM 1058 N PRO A 74 13.404 46.691 -19.946 1.00 0.00 N ATOM 1059 CA PRO A 74 12.036 46.921 -19.474 1.00 0.00 C ATOM 1060 C PRO A 74 11.114 47.408 -20.586 1.00 0.00 C ATOM 1061 O PRO A 74 9.903 47.197 -20.540 1.00 0.00 O ATOM 1062 CB PRO A 74 12.205 48.004 -18.407 1.00 0.00 C ATOM 1063 CG PRO A 74 13.457 48.718 -18.786 1.00 0.00 C ATOM 1064 CD PRO A 74 14.353 47.682 -19.409 1.00 0.00 C ATOM 0 HA PRO A 74 11.574 46.006 -19.102 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.352 48.682 -18.393 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.283 47.569 -17.411 1.00 0.00 H new ATOM 0 HG2 PRO A 74 13.248 49.526 -19.487 1.00 0.00 H new ATOM 0 HG3 PRO A 74 13.929 49.168 -17.913 1.00 0.00 H new ATOM 0 HD2 PRO A 74 14.976 48.109 -20.195 1.00 0.00 H new ATOM 0 HD3 PRO A 74 15.026 47.238 -18.675 1.00 0.00 H new ATOM 1072 N LYS A 75 11.695 48.061 -21.587 1.00 0.00 N ATOM 1073 CA LYS A 75 10.927 48.580 -22.713 1.00 0.00 C ATOM 1074 C LYS A 75 9.964 49.671 -22.260 1.00 0.00 C ATOM 1075 O LYS A 75 9.680 49.807 -21.070 1.00 0.00 O ATOM 1076 CB LYS A 75 10.148 47.448 -23.388 1.00 0.00 C ATOM 1077 CG LYS A 75 10.980 46.201 -23.636 1.00 0.00 C ATOM 1078 CD LYS A 75 12.105 46.468 -24.624 1.00 0.00 C ATOM 1079 CE LYS A 75 12.250 45.331 -25.623 1.00 0.00 C ATOM 1080 NZ LYS A 75 13.519 45.432 -26.395 1.00 0.00 N1+ ATOM 0 H LYS A 75 12.697 48.244 -21.641 1.00 0.00 H new ATOM 0 HA LYS A 75 11.626 49.012 -23.429 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.292 47.186 -22.766 1.00 0.00 H new ATOM 0 HB3 LYS A 75 9.753 47.806 -24.339 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.398 45.848 -22.693 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.340 45.406 -24.018 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.910 47.399 -25.156 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.042 46.600 -24.083 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.220 44.378 -25.095 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.404 45.341 -26.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.499 44.757 -27.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.624 46.398 -26.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.322 45.211 -25.773 1.00 0.00 H new ATOM 1094 N ASP A 76 9.466 50.449 -23.213 1.00 0.00 N ATOM 1095 CA ASP A 76 8.535 51.529 -22.912 1.00 0.00 C ATOM 1096 C ASP A 76 9.151 52.521 -21.931 1.00 0.00 C ATOM 1097 O ASP A 76 8.437 53.238 -21.230 1.00 0.00 O ATOM 1098 CB ASP A 76 7.234 50.964 -22.337 1.00 0.00 C ATOM 1099 CG ASP A 76 6.272 50.512 -23.419 1.00 0.00 C ATOM 1100 OD1 ASP A 76 6.311 51.088 -24.525 1.00 0.00 O ATOM 1101 OD2 ASP A 76 5.478 49.586 -23.156 1.00 0.00 O1- ATOM 0 H ASP A 76 9.692 50.352 -24.203 1.00 0.00 H new ATOM 0 HA ASP A 76 8.315 52.055 -23.841 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.464 50.122 -21.684 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.753 51.723 -21.720 1.00 0.00 H new ATOM 1106 N GLU A 77 10.479 52.554 -21.884 1.00 0.00 N ATOM 1107 CA GLU A 77 11.190 53.455 -20.987 1.00 0.00 C ATOM 1108 C GLU A 77 12.661 53.566 -21.380 1.00 0.00 C ATOM 1109 O GLU A 77 13.235 54.654 -21.368 1.00 0.00 O ATOM 1110 CB GLU A 77 11.072 52.969 -19.541 1.00 0.00 C ATOM 1111 CG GLU A 77 11.752 51.634 -19.291 1.00 0.00 C ATOM 1112 CD GLU A 77 11.497 51.100 -17.894 1.00 0.00 C ATOM 1113 OE1 GLU A 77 10.358 50.662 -17.627 1.00 0.00 O ATOM 1114 OE2 GLU A 77 12.433 51.122 -17.070 1.00 0.00 O1- ATOM 0 H GLU A 77 11.084 51.966 -22.458 1.00 0.00 H new ATOM 0 HA GLU A 77 10.735 54.442 -21.069 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.506 53.718 -18.878 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.017 52.885 -19.280 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.399 50.908 -20.023 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.826 51.744 -19.443 1.00 0.00 H new ATOM 1121 N GLU A 78 13.261 52.432 -21.726 1.00 0.00 N ATOM 1122 CA GLU A 78 14.665 52.404 -22.122 1.00 0.00 C ATOM 1123 C GLU A 78 14.801 52.279 -23.636 1.00 0.00 C ATOM 1124 O GLU A 78 15.416 53.124 -24.286 1.00 0.00 O ATOM 1125 CB GLU A 78 15.387 51.241 -21.435 1.00 0.00 C ATOM 1126 CG GLU A 78 15.781 51.533 -19.997 1.00 0.00 C ATOM 1127 CD GLU A 78 16.896 52.556 -19.896 1.00 0.00 C ATOM 1128 OE1 GLU A 78 18.022 52.255 -20.346 1.00 0.00 O ATOM 1129 OE2 GLU A 78 16.645 53.657 -19.364 1.00 0.00 O1- ATOM 0 H GLU A 78 12.799 51.523 -21.740 1.00 0.00 H new ATOM 0 HA GLU A 78 15.124 53.343 -21.811 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.743 50.362 -21.455 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.282 50.993 -22.005 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.910 51.895 -19.451 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.097 50.608 -19.515 1.00 0.00 H new ATOM 1136 N ARG A 79 14.223 51.219 -24.191 1.00 0.00 N ATOM 1137 CA ARG A 79 14.284 50.981 -25.628 1.00 0.00 C ATOM 1138 C ARG A 79 13.223 51.800 -26.357 1.00 0.00 C ATOM 1139 O ARG A 79 13.118 51.749 -27.583 1.00 0.00 O ATOM 1140 CB ARG A 79 14.089 49.493 -25.929 1.00 0.00 C ATOM 1141 CG ARG A 79 14.926 48.993 -27.095 1.00 0.00 C ATOM 1142 CD ARG A 79 14.085 48.810 -28.348 1.00 0.00 C ATOM 1143 NE ARG A 79 14.599 47.742 -29.200 1.00 0.00 N ATOM 1144 CZ ARG A 79 14.279 47.608 -30.483 1.00 0.00 C ATOM 1145 NH1 ARG A 79 13.453 48.471 -31.058 1.00 0.00 N1+ ATOM 1146 NH2 ARG A 79 14.788 46.610 -31.194 1.00 0.00 N ATOM 0 H ARG A 79 13.707 50.512 -23.668 1.00 0.00 H new ATOM 0 HA ARG A 79 15.267 51.290 -25.982 1.00 0.00 H new ATOM 0 HB2 ARG A 79 14.339 48.915 -25.039 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.036 49.309 -26.143 1.00 0.00 H new ATOM 0 HG2 ARG A 79 15.731 49.700 -27.296 1.00 0.00 H new ATOM 0 HG3 ARG A 79 15.394 48.045 -26.828 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.057 48.585 -28.065 1.00 0.00 H new ATOM 0 HD3 ARG A 79 14.064 49.744 -28.910 1.00 0.00 H new ATOM 0 HE ARG A 79 15.238 47.062 -28.789 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.061 49.241 -30.516 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.210 48.365 -32.043 1.00 0.00 H new ATOM 0 HH21 ARG A 79 15.425 45.945 -30.756 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.542 46.508 -32.179 1.00 0.00 H new ATOM 1160 N HIS A 80 12.439 52.557 -25.595 1.00 0.00 N ATOM 1161 CA HIS A 80 11.388 53.390 -26.170 1.00 0.00 C ATOM 1162 C HIS A 80 11.922 54.774 -26.525 1.00 0.00 C ATOM 1163 O HIS A 80 11.384 55.454 -27.398 1.00 0.00 O ATOM 1164 CB HIS A 80 10.218 53.516 -25.194 1.00 0.00 C ATOM 1165 CG HIS A 80 8.891 53.683 -25.866 1.00 0.00 C ATOM 1166 ND1 HIS A 80 8.422 52.815 -26.830 1.00 0.00 N ATOM 1167 CD2 HIS A 80 7.930 54.623 -25.710 1.00 0.00 C ATOM 1168 CE1 HIS A 80 7.230 53.214 -27.238 1.00 0.00 C ATOM 1169 NE2 HIS A 80 6.909 54.310 -26.573 1.00 0.00 N ATOM 0 H HIS A 80 12.512 52.611 -24.579 1.00 0.00 H new ATOM 0 HA HIS A 80 11.039 52.911 -27.085 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.186 52.629 -24.562 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.393 54.369 -24.538 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.961 55.463 -25.032 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.622 52.728 -27.987 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.043 54.838 -26.683 1.00 0.00 H new ATOM 1177 N VAL A 81 12.983 55.186 -25.838 1.00 0.00 N ATOM 1178 CA VAL A 81 13.592 56.490 -26.082 1.00 0.00 C ATOM 1179 C VAL A 81 15.095 56.449 -25.830 1.00 0.00 C ATOM 1180 O VAL A 81 15.698 57.453 -25.450 1.00 0.00 O ATOM 1181 CB VAL A 81 12.962 57.576 -25.191 1.00 0.00 C ATOM 1182 CG1 VAL A 81 11.581 57.955 -25.705 1.00 0.00 C ATOM 1183 CG2 VAL A 81 12.893 57.107 -23.746 1.00 0.00 C ATOM 0 H VAL A 81 13.439 54.637 -25.109 1.00 0.00 H new ATOM 0 HA VAL A 81 13.409 56.737 -27.128 1.00 0.00 H new ATOM 0 HB VAL A 81 13.593 58.464 -25.230 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.152 58.724 -25.062 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.664 58.337 -26.722 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.937 57.076 -25.699 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.445 57.888 -23.131 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.286 56.204 -23.685 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.899 56.893 -23.385 1.00 0.00 H new ATOM 1193 N GLY A 82 15.694 55.284 -26.046 1.00 0.00 N ATOM 1194 CA GLY A 82 17.124 55.134 -25.839 1.00 0.00 C ATOM 1195 C GLY A 82 17.933 56.140 -26.635 1.00 0.00 C ATOM 1196 O GLY A 82 18.291 57.202 -26.126 1.00 0.00 O ATOM 0 H GLY A 82 15.216 54.440 -26.361 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.349 55.249 -24.779 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.425 54.125 -26.121 1.00 0.00 H new ATOM 1200 N ASP A 83 18.225 55.802 -27.886 1.00 0.00 N ATOM 1201 CA ASP A 83 18.997 56.682 -28.755 1.00 0.00 C ATOM 1202 C ASP A 83 18.126 57.806 -29.303 1.00 0.00 C ATOM 1203 O ASP A 83 18.101 58.055 -30.510 1.00 0.00 O ATOM 1204 CB ASP A 83 19.612 55.887 -29.908 1.00 0.00 C ATOM 1205 CG ASP A 83 19.970 54.470 -29.506 1.00 0.00 C ATOM 1206 OD1 ASP A 83 20.603 54.297 -28.443 1.00 0.00 O ATOM 1207 OD2 ASP A 83 19.620 53.533 -30.255 1.00 0.00 O1- ATOM 0 H ASP A 83 17.939 54.925 -28.321 1.00 0.00 H new ATOM 0 HA ASP A 83 19.798 57.124 -28.162 1.00 0.00 H new ATOM 0 HB2 ASP A 83 18.910 55.859 -30.742 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.507 56.399 -30.262 1.00 0.00 H new ATOM 1212 N LEU A 84 17.411 58.484 -28.412 1.00 0.00 N ATOM 1213 CA LEU A 84 16.536 59.582 -28.806 1.00 0.00 C ATOM 1214 C LEU A 84 16.004 60.322 -27.583 1.00 0.00 C ATOM 1215 O LEU A 84 15.026 61.061 -27.669 1.00 0.00 O ATOM 1216 CB LEU A 84 15.369 59.055 -29.644 1.00 0.00 C ATOM 1217 CG LEU A 84 14.382 58.140 -28.918 1.00 0.00 C ATOM 1218 CD1 LEU A 84 13.321 58.962 -28.203 1.00 0.00 C ATOM 1219 CD2 LEU A 84 13.736 57.169 -29.896 1.00 0.00 C ATOM 0 H LEU A 84 17.420 58.292 -27.410 1.00 0.00 H new ATOM 0 HA LEU A 84 17.120 60.281 -29.405 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.819 59.908 -30.041 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.776 58.513 -30.497 1.00 0.00 H new ATOM 0 HG LEU A 84 14.931 57.563 -28.173 1.00 0.00 H new ATOM 0 HD11 LEU A 84 12.627 58.295 -27.692 1.00 0.00 H new ATOM 0 HD12 LEU A 84 13.798 59.617 -27.474 1.00 0.00 H new ATOM 0 HD13 LEU A 84 12.776 59.564 -28.930 1.00 0.00 H new ATOM 0 HD21 LEU A 84 13.037 56.526 -29.362 1.00 0.00 H new ATOM 0 HD22 LEU A 84 13.201 57.728 -30.664 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.507 56.557 -30.364 1.00 0.00 H new ATOM 1231 N GLY A 85 16.660 60.119 -26.444 1.00 0.00 N ATOM 1232 CA GLY A 85 16.240 60.775 -25.220 1.00 0.00 C ATOM 1233 C GLY A 85 16.935 60.216 -23.994 1.00 0.00 C ATOM 1234 O GLY A 85 17.041 60.892 -22.972 1.00 0.00 O ATOM 0 H GLY A 85 17.474 59.512 -26.348 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.445 61.843 -25.295 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.162 60.665 -25.104 1.00 0.00 H new ATOM 1238 N ASN A 86 17.409 58.978 -24.098 1.00 0.00 N ATOM 1239 CA ASN A 86 18.096 58.328 -22.988 1.00 0.00 C ATOM 1240 C ASN A 86 19.607 58.504 -23.105 1.00 0.00 C ATOM 1241 O ASN A 86 20.298 58.704 -22.105 1.00 0.00 O ATOM 1242 CB ASN A 86 17.746 56.839 -22.947 1.00 0.00 C ATOM 1243 CG ASN A 86 17.743 56.284 -21.536 1.00 0.00 C ATOM 1244 OD1 ASN A 86 18.599 55.478 -21.172 1.00 0.00 O ATOM 1245 ND2 ASN A 86 16.776 56.715 -20.733 1.00 0.00 N ATOM 0 H ASN A 86 17.330 58.406 -24.939 1.00 0.00 H new ATOM 0 HA ASN A 86 17.764 58.798 -22.062 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.765 56.687 -23.396 1.00 0.00 H new ATOM 0 HB3 ASN A 86 18.463 56.283 -23.551 1.00 0.00 H new ATOM 0 HD21 ASN A 86 16.722 56.377 -19.772 1.00 0.00 H new ATOM 0 HD22 ASN A 86 16.087 57.384 -21.077 1.00 0.00 H new ATOM 1252 N VAL A 87 20.111 58.431 -24.332 1.00 0.00 N ATOM 1253 CA VAL A 87 21.540 58.583 -24.580 1.00 0.00 C ATOM 1254 C VAL A 87 21.863 59.980 -25.097 1.00 0.00 C ATOM 1255 O VAL A 87 23.012 60.293 -25.405 1.00 0.00 O ATOM 1256 CB VAL A 87 22.048 57.544 -25.598 1.00 0.00 C ATOM 1257 CG1 VAL A 87 23.568 57.484 -25.587 1.00 0.00 C ATOM 1258 CG2 VAL A 87 21.449 56.177 -25.303 1.00 0.00 C ATOM 0 H VAL A 87 19.552 58.268 -25.169 1.00 0.00 H new ATOM 0 HA VAL A 87 22.044 58.424 -23.626 1.00 0.00 H new ATOM 0 HB VAL A 87 21.729 57.849 -26.595 1.00 0.00 H new ATOM 0 HG11 VAL A 87 23.908 56.745 -26.312 1.00 0.00 H new ATOM 0 HG12 VAL A 87 23.973 58.462 -25.848 1.00 0.00 H new ATOM 0 HG13 VAL A 87 23.914 57.202 -24.592 1.00 0.00 H new ATOM 0 HG21 VAL A 87 21.817 55.454 -26.031 1.00 0.00 H new ATOM 0 HG22 VAL A 87 21.738 55.862 -24.300 1.00 0.00 H new ATOM 0 HG23 VAL A 87 20.362 56.234 -25.367 1.00 0.00 H new ATOM 1268 N THR A 88 20.836 60.823 -25.189 1.00 0.00 N ATOM 1269 CA THR A 88 21.009 62.188 -25.668 1.00 0.00 C ATOM 1270 C THR A 88 21.185 63.159 -24.508 1.00 0.00 C ATOM 1271 O THR A 88 21.441 64.347 -24.713 1.00 0.00 O ATOM 1272 CB THR A 88 19.808 62.639 -26.522 1.00 0.00 C ATOM 1273 OG1 THR A 88 19.470 61.618 -27.467 1.00 0.00 O ATOM 1274 CG2 THR A 88 20.124 63.933 -27.258 1.00 0.00 C ATOM 0 H THR A 88 19.877 60.583 -24.938 1.00 0.00 H new ATOM 0 HA THR A 88 21.908 62.196 -26.284 1.00 0.00 H new ATOM 0 HB THR A 88 18.962 62.814 -25.858 1.00 0.00 H new ATOM 0 HG1 THR A 88 18.705 61.911 -28.005 1.00 0.00 H new ATOM 0 HG21 THR A 88 19.262 64.232 -27.854 1.00 0.00 H new ATOM 0 HG22 THR A 88 20.355 64.716 -26.535 1.00 0.00 H new ATOM 0 HG23 THR A 88 20.982 63.779 -27.912 1.00 0.00 H new ATOM 1282 N ALA A 89 21.047 62.650 -23.287 1.00 0.00 N ATOM 1283 CA ALA A 89 21.194 63.473 -22.094 1.00 0.00 C ATOM 1284 C ALA A 89 20.064 64.492 -21.987 1.00 0.00 C ATOM 1285 O ALA A 89 20.289 65.647 -21.623 1.00 0.00 O ATOM 1286 CB ALA A 89 22.543 64.177 -22.100 1.00 0.00 C ATOM 0 H ALA A 89 20.833 61.670 -23.099 1.00 0.00 H new ATOM 0 HA ALA A 89 21.142 62.819 -21.224 1.00 0.00 H new ATOM 0 HB1 ALA A 89 22.638 64.788 -21.203 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.341 63.435 -22.120 1.00 0.00 H new ATOM 0 HB3 ALA A 89 22.617 64.813 -22.982 1.00 0.00 H new ATOM 1292 N ASP A 90 18.850 64.057 -22.307 1.00 0.00 N ATOM 1293 CA ASP A 90 17.685 64.933 -22.247 1.00 0.00 C ATOM 1294 C ASP A 90 17.849 66.125 -23.184 1.00 0.00 C ATOM 1295 O ASP A 90 18.574 67.072 -22.879 1.00 0.00 O ATOM 1296 CB ASP A 90 17.462 65.421 -20.816 1.00 0.00 C ATOM 1297 CG ASP A 90 17.557 64.301 -19.798 1.00 0.00 C ATOM 1298 OD1 ASP A 90 17.214 63.152 -20.148 1.00 0.00 O ATOM 1299 OD2 ASP A 90 17.978 64.572 -18.656 1.00 0.00 O1- ATOM 0 H ASP A 90 18.647 63.105 -22.610 1.00 0.00 H new ATOM 0 HA ASP A 90 16.815 64.360 -22.568 1.00 0.00 H new ATOM 0 HB2 ASP A 90 18.200 66.187 -20.578 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.481 65.890 -20.744 1.00 0.00 H new ATOM 1304 N LYS A 91 17.175 66.069 -24.327 1.00 0.00 N ATOM 1305 CA LYS A 91 17.246 67.143 -25.311 1.00 0.00 C ATOM 1306 C LYS A 91 16.360 66.839 -26.514 1.00 0.00 C ATOM 1307 O LYS A 91 15.781 67.744 -27.115 1.00 0.00 O ATOM 1308 CB LYS A 91 18.692 67.349 -25.769 1.00 0.00 C ATOM 1309 CG LYS A 91 18.825 68.262 -26.974 1.00 0.00 C ATOM 1310 CD LYS A 91 18.180 69.615 -26.722 1.00 0.00 C ATOM 1311 CE LYS A 91 18.263 70.510 -27.951 1.00 0.00 C ATOM 1312 NZ LYS A 91 17.980 71.934 -27.621 1.00 0.00 N1+ ATOM 0 H LYS A 91 16.573 65.291 -24.595 1.00 0.00 H new ATOM 0 HA LYS A 91 16.887 68.057 -24.839 1.00 0.00 H new ATOM 0 HB2 LYS A 91 19.270 67.765 -24.943 1.00 0.00 H new ATOM 0 HB3 LYS A 91 19.130 66.380 -26.008 1.00 0.00 H new ATOM 0 HG2 LYS A 91 19.880 68.399 -27.213 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.360 67.792 -27.841 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.136 69.475 -26.442 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.673 70.103 -25.881 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.257 70.430 -28.392 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.553 70.163 -28.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.047 72.510 -28.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.022 72.015 -27.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.673 72.273 -26.924 1.00 0.00 H new ATOM 1326 N ASP A 92 16.255 65.560 -26.858 1.00 0.00 N ATOM 1327 CA ASP A 92 15.437 65.137 -27.987 1.00 0.00 C ATOM 1328 C ASP A 92 14.191 64.396 -27.510 1.00 0.00 C ATOM 1329 O ASP A 92 13.084 64.653 -27.980 1.00 0.00 O ATOM 1330 CB ASP A 92 16.248 64.242 -28.927 1.00 0.00 C ATOM 1331 CG ASP A 92 17.543 64.895 -29.373 1.00 0.00 C ATOM 1332 OD1 ASP A 92 17.657 66.132 -29.248 1.00 0.00 O ATOM 1333 OD2 ASP A 92 18.441 64.167 -29.843 1.00 0.00 O1- ATOM 0 H ASP A 92 16.727 64.798 -26.370 1.00 0.00 H new ATOM 0 HA ASP A 92 15.123 66.029 -28.528 1.00 0.00 H new ATOM 0 HB2 ASP A 92 16.473 63.301 -28.424 1.00 0.00 H new ATOM 0 HB3 ASP A 92 15.646 64.000 -29.803 1.00 0.00 H new ATOM 1338 N GLY A 93 14.382 63.474 -26.570 1.00 0.00 N ATOM 1339 CA GLY A 93 13.267 62.709 -26.046 1.00 0.00 C ATOM 1340 C GLY A 93 12.870 63.147 -24.649 1.00 0.00 C ATOM 1341 O GLY A 93 12.135 62.445 -23.955 1.00 0.00 O ATOM 0 H GLY A 93 15.289 63.244 -26.163 1.00 0.00 H new ATOM 0 HA2 GLY A 93 12.412 62.815 -26.714 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.531 61.652 -26.031 1.00 0.00 H new ATOM 1345 N VAL A 94 13.358 64.312 -24.235 1.00 0.00 N ATOM 1346 CA VAL A 94 13.051 64.844 -22.913 1.00 0.00 C ATOM 1347 C VAL A 94 12.845 66.355 -22.960 1.00 0.00 C ATOM 1348 O VAL A 94 11.949 66.888 -22.308 1.00 0.00 O ATOM 1349 CB VAL A 94 14.169 64.521 -21.904 1.00 0.00 C ATOM 1350 CG1 VAL A 94 13.728 64.866 -20.490 1.00 0.00 C ATOM 1351 CG2 VAL A 94 14.570 63.057 -22.004 1.00 0.00 C ATOM 0 H VAL A 94 13.968 64.906 -24.797 1.00 0.00 H new ATOM 0 HA VAL A 94 12.128 64.365 -22.587 1.00 0.00 H new ATOM 0 HB VAL A 94 15.040 65.130 -22.146 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.531 64.631 -19.791 1.00 0.00 H new ATOM 0 HG12 VAL A 94 13.495 65.929 -20.431 1.00 0.00 H new ATOM 0 HG13 VAL A 94 12.842 64.285 -20.233 1.00 0.00 H new ATOM 0 HG21 VAL A 94 15.361 62.846 -21.284 1.00 0.00 H new ATOM 0 HG22 VAL A 94 13.706 62.428 -21.789 1.00 0.00 H new ATOM 0 HG23 VAL A 94 14.930 62.846 -23.011 1.00 0.00 H new ATOM 1361 N ALA A 95 13.679 67.035 -23.740 1.00 0.00 N ATOM 1362 CA ALA A 95 13.587 68.483 -23.875 1.00 0.00 C ATOM 1363 C ALA A 95 13.120 68.873 -25.273 1.00 0.00 C ATOM 1364 O ALA A 95 13.493 69.926 -25.792 1.00 0.00 O ATOM 1365 CB ALA A 95 14.928 69.128 -23.567 1.00 0.00 C ATOM 0 H ALA A 95 14.425 66.606 -24.287 1.00 0.00 H new ATOM 0 HA ALA A 95 12.850 68.844 -23.158 1.00 0.00 H new ATOM 0 HB1 ALA A 95 14.844 70.210 -23.672 1.00 0.00 H new ATOM 0 HB2 ALA A 95 15.223 68.884 -22.546 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.680 68.753 -24.261 1.00 0.00 H new ATOM 1371 N ASP A 96 12.298 68.021 -25.878 1.00 0.00 N ATOM 1372 CA ASP A 96 11.778 68.279 -27.216 1.00 0.00 C ATOM 1373 C ASP A 96 10.563 67.403 -27.504 1.00 0.00 C ATOM 1374 O ASP A 96 9.635 67.819 -28.198 1.00 0.00 O ATOM 1375 CB ASP A 96 12.864 68.029 -28.264 1.00 0.00 C ATOM 1376 CG ASP A 96 13.496 69.314 -28.761 1.00 0.00 C ATOM 1377 OD1 ASP A 96 12.975 69.894 -29.737 1.00 0.00 O ATOM 1378 OD2 ASP A 96 14.511 69.741 -28.173 1.00 0.00 O1- ATOM 0 H ASP A 96 11.978 67.146 -25.463 1.00 0.00 H new ATOM 0 HA ASP A 96 11.470 69.323 -27.266 1.00 0.00 H new ATOM 0 HB2 ASP A 96 13.636 67.389 -27.837 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.433 67.489 -29.108 1.00 0.00 H new ATOM 1383 N VAL A 97 10.577 66.187 -26.968 1.00 0.00 N ATOM 1384 CA VAL A 97 9.476 65.251 -27.168 1.00 0.00 C ATOM 1385 C VAL A 97 8.430 65.388 -26.066 1.00 0.00 C ATOM 1386 O VAL A 97 7.376 64.757 -26.115 1.00 0.00 O ATOM 1387 CB VAL A 97 9.976 63.795 -27.206 1.00 0.00 C ATOM 1388 CG1 VAL A 97 10.032 63.211 -25.803 1.00 0.00 C ATOM 1389 CG2 VAL A 97 9.090 62.950 -28.108 1.00 0.00 C ATOM 0 H VAL A 97 11.338 65.827 -26.392 1.00 0.00 H new ATOM 0 HA VAL A 97 9.023 65.497 -28.128 1.00 0.00 H new ATOM 0 HB VAL A 97 10.986 63.788 -27.617 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.388 62.182 -25.851 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.713 63.802 -25.190 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.036 63.230 -25.361 1.00 0.00 H new ATOM 0 HG21 VAL A 97 9.459 61.924 -28.123 1.00 0.00 H new ATOM 0 HG22 VAL A 97 8.068 62.963 -27.730 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.108 63.356 -29.119 1.00 0.00 H new ATOM 1399 N SER A 98 8.731 66.220 -25.074 1.00 0.00 N ATOM 1400 CA SER A 98 7.819 66.439 -23.958 1.00 0.00 C ATOM 1401 C SER A 98 7.507 67.923 -23.794 1.00 0.00 C ATOM 1402 O SER A 98 6.390 68.299 -23.436 1.00 0.00 O ATOM 1403 CB SER A 98 8.421 65.887 -22.664 1.00 0.00 C ATOM 1404 OG SER A 98 7.510 65.026 -22.002 1.00 0.00 O ATOM 0 H SER A 98 9.599 66.753 -25.021 1.00 0.00 H new ATOM 0 HA SER A 98 6.889 65.912 -24.172 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.340 65.345 -22.889 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.691 66.712 -22.004 1.00 0.00 H new ATOM 0 HG SER A 98 7.920 64.686 -21.179 1.00 0.00 H new ATOM 1410 N ILE A 99 8.503 68.764 -24.055 1.00 0.00 N ATOM 1411 CA ILE A 99 8.335 70.206 -23.940 1.00 0.00 C ATOM 1412 C ILE A 99 7.116 70.683 -24.721 1.00 0.00 C ATOM 1413 O ILE A 99 6.354 71.525 -24.248 1.00 0.00 O ATOM 1414 CB ILE A 99 9.581 70.961 -24.441 1.00 0.00 C ATOM 1415 CG1 ILE A 99 10.832 70.466 -23.714 1.00 0.00 C ATOM 1416 CG2 ILE A 99 9.406 72.458 -24.249 1.00 0.00 C ATOM 1417 CD1 ILE A 99 10.765 70.637 -22.212 1.00 0.00 C ATOM 0 H ILE A 99 9.435 68.470 -24.348 1.00 0.00 H new ATOM 0 HA ILE A 99 8.191 70.422 -22.881 1.00 0.00 H new ATOM 0 HB ILE A 99 9.703 70.764 -25.506 1.00 0.00 H new ATOM 0 HG12 ILE A 99 10.984 69.412 -23.945 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.700 71.004 -24.095 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.295 72.977 -24.608 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.536 72.798 -24.811 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.262 72.675 -23.191 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.685 70.265 -21.762 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.645 71.693 -21.971 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.917 70.076 -21.819 1.00 0.00 H new ATOM 1429 N GLU A 100 6.937 70.137 -25.919 1.00 0.00 N ATOM 1430 CA GLU A 100 5.808 70.507 -26.766 1.00 0.00 C ATOM 1431 C GLU A 100 4.497 69.991 -26.180 1.00 0.00 C ATOM 1432 O GLU A 100 3.459 70.646 -26.281 1.00 0.00 O ATOM 1433 CB GLU A 100 6.000 69.953 -28.180 1.00 0.00 C ATOM 1434 CG GLU A 100 7.403 70.161 -28.728 1.00 0.00 C ATOM 1435 CD GLU A 100 7.398 70.740 -30.130 1.00 0.00 C ATOM 1436 OE1 GLU A 100 7.281 71.977 -30.261 1.00 0.00 O ATOM 1437 OE2 GLU A 100 7.513 69.956 -31.096 1.00 0.00 O1- ATOM 0 H GLU A 100 7.558 69.437 -26.325 1.00 0.00 H new ATOM 0 HA GLU A 100 5.762 71.595 -26.813 1.00 0.00 H new ATOM 0 HB2 GLU A 100 5.774 68.887 -28.178 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.283 70.429 -28.849 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.954 70.828 -28.065 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.933 69.208 -28.733 1.00 0.00 H new ATOM 1444 N ASP A 101 4.552 68.814 -25.567 1.00 0.00 N ATOM 1445 CA ASP A 101 3.369 68.209 -24.964 1.00 0.00 C ATOM 1446 C ASP A 101 3.043 68.869 -23.629 1.00 0.00 C ATOM 1447 O ASP A 101 1.941 68.717 -23.103 1.00 0.00 O ATOM 1448 CB ASP A 101 3.581 66.709 -24.769 1.00 0.00 C ATOM 1449 CG ASP A 101 2.535 66.089 -23.862 1.00 0.00 C ATOM 1450 OD1 ASP A 101 1.332 66.299 -24.118 1.00 0.00 O ATOM 1451 OD2 ASP A 101 2.920 65.397 -22.897 1.00 0.00 O1- ATOM 0 H ASP A 101 5.403 68.259 -25.474 1.00 0.00 H new ATOM 0 HA ASP A 101 2.527 68.363 -25.639 1.00 0.00 H new ATOM 0 HB2 ASP A 101 3.557 66.213 -25.739 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.571 66.537 -24.347 1.00 0.00 H new ATOM 1456 N SER A 102 4.011 69.602 -23.086 1.00 0.00 N ATOM 1457 CA SER A 102 3.827 70.280 -21.808 1.00 0.00 C ATOM 1458 C SER A 102 3.452 71.744 -22.019 1.00 0.00 C ATOM 1459 O SER A 102 2.591 72.282 -21.323 1.00 0.00 O ATOM 1460 CB SER A 102 5.103 70.186 -20.969 1.00 0.00 C ATOM 1461 OG SER A 102 4.861 69.510 -19.745 1.00 0.00 O ATOM 0 H SER A 102 4.928 69.741 -23.510 1.00 0.00 H new ATOM 0 HA SER A 102 3.013 69.787 -21.277 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.874 69.660 -21.532 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.483 71.187 -20.766 1.00 0.00 H new ATOM 0 HG SER A 102 5.692 69.462 -19.228 1.00 0.00 H new ATOM 1467 N VAL A 103 4.106 72.382 -22.983 1.00 0.00 N ATOM 1468 CA VAL A 103 3.841 73.784 -23.290 1.00 0.00 C ATOM 1469 C VAL A 103 2.405 73.981 -23.760 1.00 0.00 C ATOM 1470 O VAL A 103 1.842 75.070 -23.630 1.00 0.00 O ATOM 1471 CB VAL A 103 4.801 74.314 -24.370 1.00 0.00 C ATOM 1472 CG1 VAL A 103 4.422 73.764 -25.736 1.00 0.00 C ATOM 1473 CG2 VAL A 103 4.804 75.834 -24.379 1.00 0.00 C ATOM 0 H VAL A 103 4.824 71.951 -23.566 1.00 0.00 H new ATOM 0 HA VAL A 103 3.999 74.345 -22.369 1.00 0.00 H new ATOM 0 HB VAL A 103 5.810 73.974 -24.135 1.00 0.00 H new ATOM 0 HG11 VAL A 103 5.111 74.149 -26.487 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.476 72.676 -25.718 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.406 74.073 -25.983 1.00 0.00 H new ATOM 0 HG21 VAL A 103 5.488 76.192 -25.148 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.799 76.199 -24.589 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.128 76.203 -23.406 1.00 0.00 H new ATOM 1483 N ILE A 104 1.815 72.922 -24.306 1.00 0.00 N ATOM 1484 CA ILE A 104 0.443 72.980 -24.795 1.00 0.00 C ATOM 1485 C ILE A 104 -0.537 72.472 -23.742 1.00 0.00 C ATOM 1486 O ILE A 104 -1.667 72.952 -23.647 1.00 0.00 O ATOM 1487 CB ILE A 104 0.268 72.155 -26.082 1.00 0.00 C ATOM 1488 CG1 ILE A 104 1.187 72.687 -27.184 1.00 0.00 C ATOM 1489 CG2 ILE A 104 -1.183 72.180 -26.536 1.00 0.00 C ATOM 1490 CD1 ILE A 104 1.288 71.769 -28.382 1.00 0.00 C ATOM 0 H ILE A 104 2.266 72.014 -24.421 1.00 0.00 H new ATOM 0 HA ILE A 104 0.230 74.027 -25.013 1.00 0.00 H new ATOM 0 HB ILE A 104 0.544 71.121 -25.873 1.00 0.00 H new ATOM 0 HG12 ILE A 104 0.822 73.660 -27.512 1.00 0.00 H new ATOM 0 HG13 ILE A 104 2.184 72.843 -26.771 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -1.289 71.592 -27.447 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -1.816 71.757 -25.756 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -1.486 73.209 -26.731 1.00 0.00 H new ATOM 0 HD11 ILE A 104 1.955 72.209 -29.123 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.682 70.803 -28.068 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.299 71.633 -28.820 1.00 0.00 H new ATOM 1502 N SER A 105 -0.094 71.502 -22.949 1.00 0.00 N ATOM 1503 CA SER A 105 -0.933 70.927 -21.903 1.00 0.00 C ATOM 1504 C SER A 105 -1.035 71.871 -20.708 1.00 0.00 C ATOM 1505 O SER A 105 -2.015 71.846 -19.965 1.00 0.00 O ATOM 1506 CB SER A 105 -0.372 69.577 -21.454 1.00 0.00 C ATOM 1507 OG SER A 105 -0.641 68.567 -22.412 1.00 0.00 O ATOM 0 H SER A 105 0.840 71.098 -23.010 1.00 0.00 H new ATOM 0 HA SER A 105 -1.932 70.779 -22.313 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.704 69.660 -21.301 1.00 0.00 H new ATOM 0 HB3 SER A 105 -0.810 69.299 -20.495 1.00 0.00 H new ATOM 0 HG SER A 105 0.184 68.344 -22.892 1.00 0.00 H new ATOM 1513 N LEU A 106 -0.015 72.703 -20.533 1.00 0.00 N ATOM 1514 CA LEU A 106 0.013 73.657 -19.428 1.00 0.00 C ATOM 1515 C LEU A 106 -1.130 74.659 -19.547 1.00 0.00 C ATOM 1516 O LEU A 106 -1.808 74.961 -18.565 1.00 0.00 O ATOM 1517 CB LEU A 106 1.354 74.394 -19.399 1.00 0.00 C ATOM 1518 CG LEU A 106 2.320 73.986 -18.288 1.00 0.00 C ATOM 1519 CD1 LEU A 106 1.697 74.232 -16.921 1.00 0.00 C ATOM 1520 CD2 LEU A 106 2.718 72.525 -18.438 1.00 0.00 C ATOM 0 H LEU A 106 0.803 72.737 -21.141 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.109 73.103 -18.497 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.850 74.242 -20.358 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.157 75.462 -19.307 1.00 0.00 H new ATOM 0 HG LEU A 106 3.218 74.598 -18.371 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.400 73.935 -16.142 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.462 75.291 -16.814 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.783 73.646 -16.827 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.406 72.251 -17.638 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.828 71.898 -18.381 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.205 72.378 -19.402 1.00 0.00 H new ATOM 1532 N SER A 107 -1.340 75.170 -20.757 1.00 0.00 N ATOM 1533 CA SER A 107 -2.399 76.142 -21.003 1.00 0.00 C ATOM 1534 C SER A 107 -3.619 75.469 -21.629 1.00 0.00 C ATOM 1535 O SER A 107 -4.681 76.074 -21.751 1.00 0.00 O ATOM 1536 CB SER A 107 -1.894 77.259 -21.919 1.00 0.00 C ATOM 1537 OG SER A 107 -1.426 76.736 -23.149 1.00 0.00 O ATOM 0 H SER A 107 -0.791 74.927 -21.581 1.00 0.00 H new ATOM 0 HA SER A 107 -2.693 76.572 -20.045 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.697 77.972 -22.105 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.091 77.805 -21.423 1.00 0.00 H new ATOM 0 HG SER A 107 -1.110 77.469 -23.717 1.00 0.00 H new ATOM 1543 N GLY A 108 -3.453 74.208 -22.022 1.00 0.00 N ATOM 1544 CA GLY A 108 -4.546 73.472 -22.629 1.00 0.00 C ATOM 1545 C GLY A 108 -5.195 72.499 -21.666 1.00 0.00 C ATOM 1546 O GLY A 108 -6.181 71.842 -22.004 1.00 0.00 O ATOM 0 H GLY A 108 -2.582 73.685 -21.930 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -5.296 74.175 -22.991 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -4.175 72.927 -23.497 1.00 0.00 H new ATOM 1550 N ASP A 109 -4.642 72.402 -20.462 1.00 0.00 N ATOM 1551 CA ASP A 109 -5.174 71.501 -19.445 1.00 0.00 C ATOM 1552 C ASP A 109 -5.282 72.205 -18.097 1.00 0.00 C ATOM 1553 O ASP A 109 -5.462 71.563 -17.062 1.00 0.00 O ATOM 1554 CB ASP A 109 -4.286 70.261 -19.319 1.00 0.00 C ATOM 1555 CG ASP A 109 -5.088 68.974 -19.296 1.00 0.00 C ATOM 1556 OD1 ASP A 109 -5.712 68.645 -20.326 1.00 0.00 O ATOM 1557 OD2 ASP A 109 -5.092 68.297 -18.246 1.00 0.00 O1- ATOM 0 H ASP A 109 -3.825 72.936 -20.166 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.173 71.193 -19.753 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.585 70.234 -20.153 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.694 70.333 -18.407 1.00 0.00 H new ATOM 1562 N HIS A 110 -5.169 73.528 -18.115 1.00 0.00 N ATOM 1563 CA HIS A 110 -5.255 74.321 -16.893 1.00 0.00 C ATOM 1564 C HIS A 110 -6.337 75.387 -17.012 1.00 0.00 C ATOM 1565 O HIS A 110 -6.789 75.941 -16.007 1.00 0.00 O ATOM 1566 CB HIS A 110 -3.906 74.978 -16.594 1.00 0.00 C ATOM 1567 CG HIS A 110 -3.766 75.436 -15.174 1.00 0.00 C ATOM 1568 ND1 HIS A 110 -3.872 76.759 -14.797 1.00 0.00 N ATOM 1569 CD2 HIS A 110 -3.532 74.740 -14.038 1.00 0.00 C ATOM 1570 CE1 HIS A 110 -3.705 76.854 -13.490 1.00 0.00 C ATOM 1571 NE2 HIS A 110 -3.498 75.644 -13.005 1.00 0.00 N ATOM 0 H HIS A 110 -5.018 74.075 -18.962 1.00 0.00 H new ATOM 0 HA HIS A 110 -5.518 73.653 -16.072 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -3.108 74.270 -16.820 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -3.772 75.832 -17.258 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -3.397 73.671 -13.958 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -3.733 77.768 -12.915 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -3.339 75.417 -12.023 1.00 0.00 H new ATOM 1579 N CYS A 111 -6.751 75.671 -18.241 1.00 0.00 N ATOM 1580 CA CYS A 111 -7.781 76.672 -18.491 1.00 0.00 C ATOM 1581 C CYS A 111 -9.022 76.035 -19.111 1.00 0.00 C ATOM 1582 O CYS A 111 -10.138 76.525 -18.933 1.00 0.00 O ATOM 1583 CB CYS A 111 -7.244 77.770 -19.410 1.00 0.00 C ATOM 1584 SG CYS A 111 -6.960 79.351 -18.583 1.00 0.00 S ATOM 0 H CYS A 111 -6.388 75.221 -19.082 1.00 0.00 H new ATOM 0 HA CYS A 111 -8.061 77.114 -17.535 1.00 0.00 H new ATOM 0 HB2 CYS A 111 -6.308 77.431 -19.854 1.00 0.00 H new ATOM 0 HB3 CYS A 111 -7.949 77.921 -20.228 1.00 0.00 H new ATOM 0 HG CYS A 111 -6.504 80.214 -19.442 1.00 0.00 H new ATOM 1590 N ILE A 112 -8.817 74.942 -19.838 1.00 0.00 N ATOM 1591 CA ILE A 112 -9.918 74.238 -20.483 1.00 0.00 C ATOM 1592 C ILE A 112 -10.321 73.001 -19.689 1.00 0.00 C ATOM 1593 O ILE A 112 -11.507 72.749 -19.472 1.00 0.00 O ATOM 1594 CB ILE A 112 -9.551 73.816 -21.919 1.00 0.00 C ATOM 1595 CG1 ILE A 112 -8.966 75.003 -22.689 1.00 0.00 C ATOM 1596 CG2 ILE A 112 -10.772 73.263 -22.637 1.00 0.00 C ATOM 1597 CD1 ILE A 112 -9.905 76.183 -22.784 1.00 0.00 C ATOM 0 H ILE A 112 -7.899 74.525 -19.995 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.758 74.932 -20.520 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.796 73.031 -21.869 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -8.043 75.321 -22.204 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -8.701 74.678 -23.695 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -10.497 72.969 -23.650 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.149 72.394 -22.097 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.547 74.028 -22.679 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.424 76.986 -23.342 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.818 75.881 -23.296 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -10.150 76.534 -21.782 1.00 0.00 H new ATOM 1609 N ILE A 113 -9.327 72.233 -19.259 1.00 0.00 N ATOM 1610 CA ILE A 113 -9.579 71.022 -18.486 1.00 0.00 C ATOM 1611 C ILE A 113 -9.413 71.280 -16.993 1.00 0.00 C ATOM 1612 O ILE A 113 -10.339 71.067 -16.208 1.00 0.00 O ATOM 1613 CB ILE A 113 -8.635 69.879 -18.905 1.00 0.00 C ATOM 1614 CG1 ILE A 113 -8.652 69.707 -20.424 1.00 0.00 C ATOM 1615 CG2 ILE A 113 -9.033 68.583 -18.215 1.00 0.00 C ATOM 1616 CD1 ILE A 113 -10.011 69.340 -20.977 1.00 0.00 C ATOM 0 H ILE A 113 -8.341 72.426 -19.432 1.00 0.00 H new ATOM 0 HA ILE A 113 -10.608 70.726 -18.690 1.00 0.00 H new ATOM 0 HB ILE A 113 -7.621 70.134 -18.598 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -8.318 70.634 -20.890 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.935 68.934 -20.702 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -8.357 67.785 -18.521 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -8.975 68.713 -17.134 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -10.053 68.321 -18.494 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -9.947 69.235 -22.060 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -10.339 68.397 -20.539 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -10.728 70.123 -20.731 1.00 0.00 H new ATOM 1628 N GLY A 114 -8.229 71.741 -16.604 1.00 0.00 N ATOM 1629 CA GLY A 114 -7.963 72.022 -15.204 1.00 0.00 C ATOM 1630 C GLY A 114 -8.895 73.077 -14.640 1.00 0.00 C ATOM 1631 O GLY A 114 -9.009 73.225 -13.422 1.00 0.00 O ATOM 0 H GLY A 114 -7.448 71.925 -17.233 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -8.066 71.104 -14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -6.931 72.355 -15.093 1.00 0.00 H new ATOM 1635 N ARG A 115 -9.560 73.812 -15.524 1.00 0.00 N ATOM 1636 CA ARG A 115 -10.483 74.861 -15.106 1.00 0.00 C ATOM 1637 C ARG A 115 -11.793 74.264 -14.603 1.00 0.00 C ATOM 1638 O ARG A 115 -12.459 74.834 -13.739 1.00 0.00 O ATOM 1639 CB ARG A 115 -10.759 75.820 -16.267 1.00 0.00 C ATOM 1640 CG ARG A 115 -11.532 77.064 -15.860 1.00 0.00 C ATOM 1641 CD ARG A 115 -10.896 78.324 -16.424 1.00 0.00 C ATOM 1642 NE ARG A 115 -11.094 79.475 -15.546 1.00 0.00 N ATOM 1643 CZ ARG A 115 -10.872 80.730 -15.922 1.00 0.00 C ATOM 1644 NH1 ARG A 115 -10.449 80.993 -17.149 1.00 0.00 N1+ ATOM 1645 NH2 ARG A 115 -11.077 81.725 -15.066 1.00 0.00 N ATOM 0 H ARG A 115 -9.477 73.701 -16.535 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.019 75.414 -14.289 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.810 76.121 -16.711 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.319 75.291 -17.039 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.561 76.986 -16.212 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.571 77.130 -14.773 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -9.829 78.158 -16.569 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -11.322 78.538 -17.404 1.00 0.00 H new ATOM 0 HE ARG A 115 -11.420 79.306 -14.594 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -10.293 80.231 -17.809 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.280 81.958 -17.434 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.405 81.525 -14.121 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -10.907 82.689 -15.354 1.00 0.00 H new ATOM 1659 N THR A 116 -12.160 73.109 -15.151 1.00 0.00 N ATOM 1660 CA THR A 116 -13.390 72.434 -14.760 1.00 0.00 C ATOM 1661 C THR A 116 -13.105 71.267 -13.824 1.00 0.00 C ATOM 1662 O THR A 116 -13.790 71.082 -12.816 1.00 0.00 O ATOM 1663 CB THR A 116 -14.162 71.916 -15.988 1.00 0.00 C ATOM 1664 OG1 THR A 116 -13.369 72.079 -17.170 1.00 0.00 O ATOM 1665 CG2 THR A 116 -15.481 72.655 -16.151 1.00 0.00 C ATOM 0 H THR A 116 -11.622 72.622 -15.868 1.00 0.00 H new ATOM 0 HA THR A 116 -14.002 73.171 -14.240 1.00 0.00 H new ATOM 0 HB THR A 116 -14.374 70.858 -15.835 1.00 0.00 H new ATOM 0 HG1 THR A 116 -13.866 71.746 -17.946 1.00 0.00 H new ATOM 0 HG21 THR A 116 -16.007 72.271 -17.025 1.00 0.00 H new ATOM 0 HG22 THR A 116 -16.095 72.505 -15.263 1.00 0.00 H new ATOM 0 HG23 THR A 116 -15.288 73.720 -16.282 1.00 0.00 H new ATOM 1673 N LEU A 117 -12.088 70.480 -14.161 1.00 0.00 N ATOM 1674 CA LEU A 117 -11.710 69.329 -13.349 1.00 0.00 C ATOM 1675 C LEU A 117 -11.346 69.757 -11.930 1.00 0.00 C ATOM 1676 O LEU A 117 -11.374 68.952 -11.001 1.00 0.00 O ATOM 1677 CB LEU A 117 -10.531 68.595 -13.989 1.00 0.00 C ATOM 1678 CG LEU A 117 -10.017 67.366 -13.236 1.00 0.00 C ATOM 1679 CD1 LEU A 117 -9.870 66.184 -14.181 1.00 0.00 C ATOM 1680 CD2 LEU A 117 -8.692 67.674 -12.554 1.00 0.00 C ATOM 0 H LEU A 117 -11.511 70.618 -14.991 1.00 0.00 H new ATOM 0 HA LEU A 117 -12.566 68.656 -13.297 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.823 68.286 -14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.707 69.300 -14.100 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.745 67.103 -12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -9.503 65.319 -13.628 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -10.838 65.949 -14.622 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -9.163 66.436 -14.971 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.341 66.789 -12.023 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.955 67.963 -13.304 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.829 68.491 -11.846 1.00 0.00 H new ATOM 1692 N VAL A 118 -11.009 71.034 -11.773 1.00 0.00 N ATOM 1693 CA VAL A 118 -10.644 71.572 -10.467 1.00 0.00 C ATOM 1694 C VAL A 118 -11.797 72.360 -9.856 1.00 0.00 C ATOM 1695 O VAL A 118 -11.995 72.348 -8.641 1.00 0.00 O ATOM 1696 CB VAL A 118 -9.405 72.484 -10.562 1.00 0.00 C ATOM 1697 CG1 VAL A 118 -9.079 73.084 -9.204 1.00 0.00 C ATOM 1698 CG2 VAL A 118 -8.216 71.711 -11.113 1.00 0.00 C ATOM 0 H VAL A 118 -10.981 71.714 -12.533 1.00 0.00 H new ATOM 0 HA VAL A 118 -10.411 70.721 -9.827 1.00 0.00 H new ATOM 0 HB VAL A 118 -9.628 73.301 -11.249 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -8.202 73.725 -9.291 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -9.926 73.674 -8.854 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -8.875 72.284 -8.492 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -7.350 72.370 -11.173 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.989 70.873 -10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -8.456 71.335 -12.108 1.00 0.00 H new ATOM 1708 N VAL A 119 -12.553 73.046 -10.707 1.00 0.00 N ATOM 1709 CA VAL A 119 -13.688 73.841 -10.250 1.00 0.00 C ATOM 1710 C VAL A 119 -14.943 72.984 -10.130 1.00 0.00 C ATOM 1711 O VAL A 119 -15.486 72.808 -9.039 1.00 0.00 O ATOM 1712 CB VAL A 119 -13.969 75.016 -11.204 1.00 0.00 C ATOM 1713 CG1 VAL A 119 -15.281 75.695 -10.842 1.00 0.00 C ATOM 1714 CG2 VAL A 119 -12.819 76.012 -11.176 1.00 0.00 C ATOM 0 H VAL A 119 -12.401 73.068 -11.715 1.00 0.00 H new ATOM 0 HA VAL A 119 -13.426 74.236 -9.268 1.00 0.00 H new ATOM 0 HB VAL A 119 -14.057 74.625 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -15.463 76.523 -11.527 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -16.096 74.975 -10.918 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -15.225 76.074 -9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -13.035 76.836 -11.856 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -12.697 76.399 -10.164 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -11.900 75.515 -11.487 1.00 0.00 H new ATOM 1724 N HIS A 120 -15.403 72.456 -11.260 1.00 0.00 N ATOM 1725 CA HIS A 120 -16.596 71.617 -11.283 1.00 0.00 C ATOM 1726 C HIS A 120 -16.221 70.139 -11.280 1.00 0.00 C ATOM 1727 O HIS A 120 -16.840 69.331 -11.973 1.00 0.00 O ATOM 1728 CB HIS A 120 -17.448 71.939 -12.511 1.00 0.00 C ATOM 1729 CG HIS A 120 -18.919 71.956 -12.230 1.00 0.00 C ATOM 1730 ND1 HIS A 120 -19.710 73.068 -12.430 1.00 0.00 N ATOM 1731 CD2 HIS A 120 -19.745 70.988 -11.767 1.00 0.00 C ATOM 1732 CE1 HIS A 120 -20.957 72.786 -12.098 1.00 0.00 C ATOM 1733 NE2 HIS A 120 -21.004 71.528 -11.692 1.00 0.00 N ATOM 0 H HIS A 120 -14.968 72.594 -12.172 1.00 0.00 H new ATOM 0 HA HIS A 120 -17.176 71.827 -10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -17.150 72.911 -12.905 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -17.243 71.203 -13.289 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -19.465 69.978 -11.505 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -21.795 73.466 -12.149 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -21.841 71.039 -11.375 1.00 0.00 H new ATOM 1741 N GLU A 121 -15.203 69.792 -10.499 1.00 0.00 N ATOM 1742 CA GLU A 121 -14.744 68.409 -10.409 1.00 0.00 C ATOM 1743 C GLU A 121 -15.891 67.480 -10.025 1.00 0.00 C ATOM 1744 O GLU A 121 -15.913 66.310 -10.407 1.00 0.00 O ATOM 1745 CB GLU A 121 -13.613 68.290 -9.388 1.00 0.00 C ATOM 1746 CG GLU A 121 -14.099 68.083 -7.962 1.00 0.00 C ATOM 1747 CD GLU A 121 -12.965 68.080 -6.954 1.00 0.00 C ATOM 1748 OE1 GLU A 121 -12.210 69.073 -6.908 1.00 0.00 O ATOM 1749 OE2 GLU A 121 -12.834 67.084 -6.212 1.00 0.00 O1- ATOM 0 H GLU A 121 -14.680 70.448 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 121 -14.371 68.112 -11.389 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -12.968 67.457 -9.668 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -13.003 69.192 -9.428 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -14.806 68.871 -7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -14.638 67.138 -7.899 1.00 0.00 H new ATOM 1756 N LYS A 122 -16.847 68.010 -9.266 1.00 0.00 N ATOM 1757 CA LYS A 122 -17.999 67.230 -8.831 1.00 0.00 C ATOM 1758 C LYS A 122 -18.886 66.863 -10.014 1.00 0.00 C ATOM 1759 O LYS A 122 -19.627 65.880 -9.968 1.00 0.00 O ATOM 1760 CB LYS A 122 -18.808 68.014 -7.795 1.00 0.00 C ATOM 1761 CG LYS A 122 -20.225 67.496 -7.612 1.00 0.00 C ATOM 1762 CD LYS A 122 -20.748 67.786 -6.215 1.00 0.00 C ATOM 1763 CE LYS A 122 -20.321 66.713 -5.225 1.00 0.00 C ATOM 1764 NZ LYS A 122 -20.806 67.004 -3.847 1.00 0.00 N1+ ATOM 0 H LYS A 122 -16.845 68.977 -8.940 1.00 0.00 H new ATOM 0 HA LYS A 122 -17.633 66.309 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -18.290 67.976 -6.837 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -18.849 69.061 -8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -20.881 67.958 -8.350 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -20.247 66.422 -7.794 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -20.380 68.757 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -21.836 67.848 -6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -20.706 65.746 -5.549 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -19.234 66.637 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -20.494 66.250 -3.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -20.418 67.915 -3.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -21.845 67.051 -3.847 1.00 0.00 H new ATOM 1778 N ALA A 123 -18.809 67.658 -11.078 1.00 0.00 N ATOM 1779 CA ALA A 123 -19.604 67.413 -12.275 1.00 0.00 C ATOM 1780 C ALA A 123 -21.087 67.658 -12.008 1.00 0.00 C ATOM 1781 O ALA A 123 -21.935 67.352 -12.846 1.00 0.00 O ATOM 1782 CB ALA A 123 -19.382 65.995 -12.775 1.00 0.00 C ATOM 0 H ALA A 123 -18.204 68.477 -11.134 1.00 0.00 H new ATOM 0 HA ALA A 123 -19.280 68.112 -13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -19.982 65.826 -13.669 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -18.328 65.854 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.677 65.286 -12.001 1.00 0.00 H new ATOM 1788 N ASP A 124 -21.388 68.210 -10.839 1.00 0.00 N ATOM 1789 CA ASP A 124 -22.770 68.495 -10.463 1.00 0.00 C ATOM 1790 C ASP A 124 -22.826 69.286 -9.160 1.00 0.00 C ATOM 1791 O ASP A 124 -23.751 69.126 -8.366 1.00 0.00 O ATOM 1792 CB ASP A 124 -23.561 67.196 -10.319 1.00 0.00 C ATOM 1793 CG ASP A 124 -22.745 66.089 -9.676 1.00 0.00 C ATOM 1794 OD1 ASP A 124 -22.699 66.036 -8.430 1.00 0.00 O ATOM 1795 OD2 ASP A 124 -22.153 65.279 -10.418 1.00 0.00 O1- ATOM 0 H ASP A 124 -20.697 68.469 -10.135 1.00 0.00 H new ATOM 0 HA ASP A 124 -23.218 69.097 -11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -24.452 67.381 -9.720 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -23.900 66.869 -11.302 1.00 0.00 H new ATOM 1800 N ASP A 125 -21.829 70.142 -8.949 1.00 0.00 N ATOM 1801 CA ASP A 125 -21.766 70.959 -7.743 1.00 0.00 C ATOM 1802 C ASP A 125 -22.840 72.041 -7.764 1.00 0.00 C ATOM 1803 O ASP A 125 -23.665 72.094 -8.676 1.00 0.00 O ATOM 1804 CB ASP A 125 -20.382 71.596 -7.607 1.00 0.00 C ATOM 1805 CG ASP A 125 -20.249 72.867 -8.424 1.00 0.00 C ATOM 1806 OD1 ASP A 125 -20.752 73.918 -7.972 1.00 0.00 O ATOM 1807 OD2 ASP A 125 -19.642 72.812 -9.514 1.00 0.00 O1- ATOM 0 H ASP A 125 -21.055 70.287 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 125 -21.946 70.313 -6.884 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -20.189 71.820 -6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -19.623 70.881 -7.925 1.00 0.00 H new TER 1812 ASP A 125