USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 729 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 36 MET CE :methyl 156:sc= -1.47 (180deg=-2.89!) USER MOD Set 1.2: A 40 ASN : amide:sc= -4.42! C(o=-5.9!,f=-4.8!) USER MOD Single : A 1 GLY N :NH3+ 141:sc= -0.387 (180deg=-1.23) USER MOD Single : A 2 SER OG : rot 142:sc= 0.733 USER MOD Single : A 4 MET CE :methyl -163:sc= -0.0962 (180deg=-0.452) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 7 MET CE :methyl 167:sc= -0.0339 (180deg=-0.27) USER MOD Single : A 15 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.46) USER MOD Single : A 19 LYS NZ :NH3+ -126:sc= 1.31 (180deg=0.0873) USER MOD Single : A 26 TYR OH : rot 86:sc= -5.26! USER MOD Single : A 34 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.64) USER MOD Single : A 35 GLN : amide:sc= -5.01! C(o=-5!,f=-2.8!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 158:sc= -0.0421 (180deg=-0.343) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0.886 (180deg=0.798) USER MOD Single : A 57 CYS SG : rot 152:sc= -0.226! USER MOD Single : A 59 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.49) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -3.28! C(o=-3.3!,f=-2.4!) USER MOD Single : A 67 LYS NZ :NH3+ -136:sc= -0.05 (180deg=-0.653) USER MOD Single : A 72 TYR OH : rot 31:sc= 1.32 USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= -0.786 (180deg=-1.43) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.02 X(o=-1,f=-1.5) USER MOD Single : A 81 SER OG : rot -1:sc= 0.314 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.087) USER MOD Single : A 86 HIS : no HE2:sc= -0.967 K(o=0.69,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.316 -16.076 -6.263 1.00 0.00 N ATOM 2 CA GLY A 1 0.170 -17.363 -6.811 1.00 0.00 C ATOM 3 C GLY A 1 0.539 -17.245 -8.273 1.00 0.00 C ATOM 4 O GLY A 1 0.419 -16.170 -8.860 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.107 -16.253 -5.612 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.456 -15.604 -5.750 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.638 -15.466 -7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.038 -17.696 -6.242 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.601 -18.124 -6.691 1.00 0.00 H new ATOM 10 N SER A 2 0.988 -18.342 -8.862 1.00 0.00 N ATOM 11 CA SER A 2 1.364 -18.355 -10.266 1.00 0.00 C ATOM 12 C SER A 2 0.167 -18.743 -11.132 1.00 0.00 C ATOM 13 O SER A 2 -0.345 -19.863 -11.039 1.00 0.00 O ATOM 14 CB SER A 2 2.527 -19.326 -10.498 1.00 0.00 C ATOM 15 OG SER A 2 2.983 -19.270 -11.839 1.00 0.00 O ATOM 0 H SER A 2 1.101 -19.238 -8.387 1.00 0.00 H new ATOM 0 HA SER A 2 1.687 -17.353 -10.548 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.347 -19.083 -9.822 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.209 -20.341 -10.262 1.00 0.00 H new ATOM 0 HG SER A 2 3.959 -19.361 -11.857 1.00 0.00 H new ATOM 21 N ALA A 3 -0.295 -17.808 -11.949 1.00 0.00 N ATOM 22 CA ALA A 3 -1.408 -18.071 -12.850 1.00 0.00 C ATOM 23 C ALA A 3 -1.087 -17.603 -14.263 1.00 0.00 C ATOM 24 O ALA A 3 -1.049 -18.404 -15.199 1.00 0.00 O ATOM 25 CB ALA A 3 -2.675 -17.404 -12.341 1.00 0.00 C ATOM 0 H ALA A 3 0.082 -16.862 -12.007 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.572 -19.148 -12.880 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.496 -17.611 -13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.920 -17.794 -11.353 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.519 -16.327 -12.277 1.00 0.00 H new ATOM 31 N MET A 4 -0.844 -16.307 -14.413 1.00 0.00 N ATOM 32 CA MET A 4 -0.539 -15.730 -15.716 1.00 0.00 C ATOM 33 C MET A 4 0.965 -15.718 -15.963 1.00 0.00 C ATOM 34 O MET A 4 1.628 -14.686 -15.820 1.00 0.00 O ATOM 35 CB MET A 4 -1.105 -14.311 -15.823 1.00 0.00 C ATOM 36 CG MET A 4 -2.624 -14.254 -15.778 1.00 0.00 C ATOM 37 SD MET A 4 -3.398 -15.183 -17.117 1.00 0.00 S ATOM 38 CE MET A 4 -2.803 -14.288 -18.553 1.00 0.00 C ATOM 0 H MET A 4 -0.852 -15.634 -13.646 1.00 0.00 H new ATOM 0 HA MET A 4 -1.009 -16.351 -16.479 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.703 -13.707 -15.010 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.761 -13.861 -16.754 1.00 0.00 H new ATOM 0 HG2 MET A 4 -2.970 -14.647 -14.822 1.00 0.00 H new ATOM 0 HG3 MET A 4 -2.946 -13.214 -15.830 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.417 -14.539 -19.418 1.00 0.00 H new ATOM 0 HE2 MET A 4 -2.863 -13.216 -18.364 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.767 -14.564 -18.750 1.00 0.00 H new ATOM 48 N GLY A 5 1.496 -16.871 -16.326 1.00 0.00 N ATOM 49 CA GLY A 5 2.915 -16.996 -16.575 1.00 0.00 C ATOM 50 C GLY A 5 3.507 -18.151 -15.805 1.00 0.00 C ATOM 51 O GLY A 5 2.780 -18.891 -15.137 1.00 0.00 O ATOM 0 H GLY A 5 0.964 -17.732 -16.454 1.00 0.00 H new ATOM 0 HA2 GLY A 5 3.088 -17.140 -17.641 1.00 0.00 H new ATOM 0 HA3 GLY A 5 3.419 -16.072 -16.293 1.00 0.00 H new ATOM 55 N HIS A 6 4.816 -18.318 -15.893 1.00 0.00 N ATOM 56 CA HIS A 6 5.495 -19.360 -15.145 1.00 0.00 C ATOM 57 C HIS A 6 5.892 -18.822 -13.778 1.00 0.00 C ATOM 58 O HIS A 6 5.665 -19.460 -12.750 1.00 0.00 O ATOM 59 CB HIS A 6 6.728 -19.850 -15.903 1.00 0.00 C ATOM 60 CG HIS A 6 7.275 -21.144 -15.385 1.00 0.00 C ATOM 61 ND1 HIS A 6 8.531 -21.267 -14.833 1.00 0.00 N ATOM 62 CD2 HIS A 6 6.729 -22.381 -15.349 1.00 0.00 C ATOM 63 CE1 HIS A 6 8.733 -22.522 -14.483 1.00 0.00 C ATOM 64 NE2 HIS A 6 7.654 -23.219 -14.784 1.00 0.00 N ATOM 0 H HIS A 6 5.428 -17.746 -16.474 1.00 0.00 H new ATOM 0 HA HIS A 6 4.819 -20.206 -15.018 1.00 0.00 H new ATOM 0 HB2 HIS A 6 6.473 -19.968 -16.956 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.505 -19.088 -15.847 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.746 -22.657 -15.701 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.630 -22.913 -14.027 1.00 0.00 H new ATOM 0 HE2 HIS A 6 7.529 -24.218 -14.622 1.00 0.00 H new ATOM 73 N MET A 7 6.479 -17.636 -13.778 1.00 0.00 N ATOM 74 CA MET A 7 6.822 -16.946 -12.545 1.00 0.00 C ATOM 75 C MET A 7 6.368 -15.492 -12.626 1.00 0.00 C ATOM 76 O MET A 7 7.148 -14.599 -12.962 1.00 0.00 O ATOM 77 CB MET A 7 8.327 -17.027 -12.273 1.00 0.00 C ATOM 78 CG MET A 7 8.748 -16.336 -10.985 1.00 0.00 C ATOM 79 SD MET A 7 7.881 -16.968 -9.532 1.00 0.00 S ATOM 80 CE MET A 7 8.447 -18.669 -9.503 1.00 0.00 C ATOM 0 H MET A 7 6.730 -17.128 -14.626 1.00 0.00 H new ATOM 0 HA MET A 7 6.308 -17.433 -11.717 1.00 0.00 H new ATOM 0 HB2 MET A 7 8.624 -18.075 -12.228 1.00 0.00 H new ATOM 0 HB3 MET A 7 8.864 -16.579 -13.109 1.00 0.00 H new ATOM 0 HG2 MET A 7 9.822 -16.463 -10.845 1.00 0.00 H new ATOM 0 HG3 MET A 7 8.562 -15.266 -11.075 1.00 0.00 H new ATOM 0 HE1 MET A 7 8.188 -19.122 -8.546 1.00 0.00 H new ATOM 0 HE2 MET A 7 7.969 -19.225 -10.309 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.529 -18.695 -9.636 1.00 0.00 H new ATOM 90 N PRO A 8 5.082 -15.245 -12.356 1.00 0.00 N ATOM 91 CA PRO A 8 4.511 -13.911 -12.393 1.00 0.00 C ATOM 92 C PRO A 8 4.599 -13.207 -11.044 1.00 0.00 C ATOM 93 O PRO A 8 5.146 -13.746 -10.078 1.00 0.00 O ATOM 94 CB PRO A 8 3.056 -14.198 -12.753 1.00 0.00 C ATOM 95 CG PRO A 8 2.759 -15.512 -12.108 1.00 0.00 C ATOM 96 CD PRO A 8 4.071 -16.253 -11.994 1.00 0.00 C ATOM 0 HA PRO A 8 5.027 -13.248 -13.087 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.394 -13.416 -12.381 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.917 -14.246 -13.833 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.311 -15.367 -11.125 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.045 -16.081 -12.703 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.229 -16.632 -10.984 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.105 -17.111 -12.665 1.00 0.00 H new ATOM 104 N ALA A 9 4.073 -11.998 -10.991 1.00 0.00 N ATOM 105 CA ALA A 9 3.985 -11.263 -9.748 1.00 0.00 C ATOM 106 C ALA A 9 2.547 -10.852 -9.489 1.00 0.00 C ATOM 107 O ALA A 9 1.827 -10.453 -10.407 1.00 0.00 O ATOM 108 CB ALA A 9 4.898 -10.048 -9.769 1.00 0.00 C ATOM 0 H ALA A 9 3.699 -11.503 -11.801 1.00 0.00 H new ATOM 0 HA ALA A 9 4.315 -11.912 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.813 -9.513 -8.823 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.929 -10.370 -9.912 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.607 -9.388 -10.587 1.00 0.00 H new ATOM 114 N VAL A 10 2.135 -10.951 -8.240 1.00 0.00 N ATOM 115 CA VAL A 10 0.777 -10.626 -7.856 1.00 0.00 C ATOM 116 C VAL A 10 0.684 -9.160 -7.474 1.00 0.00 C ATOM 117 O VAL A 10 1.387 -8.694 -6.573 1.00 0.00 O ATOM 118 CB VAL A 10 0.310 -11.511 -6.681 1.00 0.00 C ATOM 119 CG1 VAL A 10 -1.074 -11.110 -6.199 1.00 0.00 C ATOM 120 CG2 VAL A 10 0.329 -12.972 -7.097 1.00 0.00 C ATOM 0 H VAL A 10 2.728 -11.257 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 10 0.124 -10.817 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 10 1.000 -11.367 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.372 -11.754 -5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.056 -10.073 -5.864 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.788 -11.215 -7.016 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.002 -13.592 -6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.340 -13.118 -7.945 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.342 -13.256 -7.381 1.00 0.00 H new ATOM 130 N ASP A 11 -0.166 -8.437 -8.179 1.00 0.00 N ATOM 131 CA ASP A 11 -0.293 -7.004 -7.984 1.00 0.00 C ATOM 132 C ASP A 11 -1.575 -6.686 -7.229 1.00 0.00 C ATOM 133 O ASP A 11 -2.675 -7.000 -7.685 1.00 0.00 O ATOM 134 CB ASP A 11 -0.289 -6.290 -9.342 1.00 0.00 C ATOM 135 CG ASP A 11 -0.304 -4.775 -9.223 1.00 0.00 C ATOM 136 OD1 ASP A 11 -1.404 -4.187 -9.185 1.00 0.00 O ATOM 137 OD2 ASP A 11 0.788 -4.165 -9.202 1.00 0.00 O ATOM 0 H ASP A 11 -0.782 -8.821 -8.896 1.00 0.00 H new ATOM 0 HA ASP A 11 0.554 -6.652 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 11 0.595 -6.595 -9.903 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.158 -6.611 -9.917 1.00 0.00 H new ATOM 142 N VAL A 12 -1.420 -6.090 -6.062 1.00 0.00 N ATOM 143 CA VAL A 12 -2.551 -5.611 -5.283 1.00 0.00 C ATOM 144 C VAL A 12 -2.376 -4.117 -5.074 1.00 0.00 C ATOM 145 O VAL A 12 -1.373 -3.695 -4.516 1.00 0.00 O ATOM 146 CB VAL A 12 -2.644 -6.313 -3.911 1.00 0.00 C ATOM 147 CG1 VAL A 12 -3.937 -5.942 -3.212 1.00 0.00 C ATOM 148 CG2 VAL A 12 -2.527 -7.822 -4.057 1.00 0.00 C ATOM 0 H VAL A 12 -0.512 -5.924 -5.627 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.471 -5.832 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.809 -5.971 -3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.986 -6.446 -2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.972 -4.863 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.784 -6.250 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.596 -8.289 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.334 -8.190 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.567 -8.070 -4.510 1.00 0.00 H new ATOM 158 N GLU A 13 -3.330 -3.312 -5.506 1.00 0.00 N ATOM 159 CA GLU A 13 -3.085 -1.889 -5.594 1.00 0.00 C ATOM 160 C GLU A 13 -3.906 -1.111 -4.588 1.00 0.00 C ATOM 161 O GLU A 13 -5.108 -1.330 -4.429 1.00 0.00 O ATOM 162 CB GLU A 13 -3.316 -1.374 -7.020 1.00 0.00 C ATOM 163 CG GLU A 13 -4.696 -1.659 -7.589 1.00 0.00 C ATOM 164 CD GLU A 13 -4.816 -1.206 -9.030 1.00 0.00 C ATOM 165 OE1 GLU A 13 -5.156 -0.026 -9.264 1.00 0.00 O ATOM 166 OE2 GLU A 13 -4.553 -2.027 -9.938 1.00 0.00 O ATOM 0 H GLU A 13 -4.261 -3.613 -5.795 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.036 -1.726 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.149 -0.297 -7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.569 -1.820 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.901 -2.728 -7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.450 -1.153 -6.985 1.00 0.00 H new ATOM 173 N ILE A 14 -3.233 -0.211 -3.900 1.00 0.00 N ATOM 174 CA ILE A 14 -3.865 0.643 -2.926 1.00 0.00 C ATOM 175 C ILE A 14 -3.750 2.086 -3.399 1.00 0.00 C ATOM 176 O ILE A 14 -2.818 2.426 -4.129 1.00 0.00 O ATOM 177 CB ILE A 14 -3.212 0.513 -1.529 1.00 0.00 C ATOM 178 CG1 ILE A 14 -2.664 -0.908 -1.305 1.00 0.00 C ATOM 179 CG2 ILE A 14 -4.232 0.861 -0.459 1.00 0.00 C ATOM 180 CD1 ILE A 14 -1.882 -1.076 -0.012 1.00 0.00 C ATOM 0 H ILE A 14 -2.230 -0.054 -4.004 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.908 0.341 -2.833 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.373 1.207 -1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.497 -1.611 -1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.020 -1.174 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.773 0.770 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.577 1.885 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -5.079 0.179 -0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.531 -2.105 0.070 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.027 -0.400 -0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.527 -0.844 0.836 1.00 0.00 H new ATOM 192 N HIS A 15 -4.685 2.933 -3.010 1.00 0.00 N ATOM 193 CA HIS A 15 -4.666 4.320 -3.453 1.00 0.00 C ATOM 194 C HIS A 15 -4.586 5.266 -2.265 1.00 0.00 C ATOM 195 O HIS A 15 -5.353 5.155 -1.311 1.00 0.00 O ATOM 196 CB HIS A 15 -5.886 4.622 -4.324 1.00 0.00 C ATOM 197 CG HIS A 15 -5.861 3.895 -5.634 1.00 0.00 C ATOM 198 ND1 HIS A 15 -6.611 2.767 -5.885 1.00 0.00 N ATOM 199 CD2 HIS A 15 -5.147 4.128 -6.763 1.00 0.00 C ATOM 200 CE1 HIS A 15 -6.356 2.335 -7.107 1.00 0.00 C ATOM 201 NE2 HIS A 15 -5.473 3.144 -7.664 1.00 0.00 N ATOM 0 H HIS A 15 -5.461 2.691 -2.394 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.774 4.476 -4.060 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -6.791 4.350 -3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.937 5.695 -4.510 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.451 4.938 -6.924 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.796 1.466 -7.573 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -5.096 3.053 -8.607 1.00 0.00 H new ATOM 210 N PHE A 16 -3.621 6.171 -2.324 1.00 0.00 N ATOM 211 CA PHE A 16 -3.349 7.102 -1.240 1.00 0.00 C ATOM 212 C PHE A 16 -3.317 8.537 -1.753 1.00 0.00 C ATOM 213 O PHE A 16 -2.363 8.928 -2.417 1.00 0.00 O ATOM 214 CB PHE A 16 -1.987 6.786 -0.605 1.00 0.00 C ATOM 215 CG PHE A 16 -1.950 5.586 0.302 1.00 0.00 C ATOM 216 CD1 PHE A 16 -2.287 4.323 -0.154 1.00 0.00 C ATOM 217 CD2 PHE A 16 -1.560 5.731 1.617 1.00 0.00 C ATOM 218 CE1 PHE A 16 -2.235 3.233 0.691 1.00 0.00 C ATOM 219 CE2 PHE A 16 -1.504 4.646 2.469 1.00 0.00 C ATOM 220 CZ PHE A 16 -1.843 3.393 2.005 1.00 0.00 C ATOM 0 H PHE A 16 -3.003 6.281 -3.128 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.145 6.996 -0.502 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.261 6.637 -1.404 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.661 7.657 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.594 4.189 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.294 6.710 1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.501 2.253 0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.196 4.779 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.802 2.540 2.666 1.00 0.00 H new ATOM 230 N PRO A 17 -4.351 9.342 -1.481 1.00 0.00 N ATOM 231 CA PRO A 17 -4.316 10.769 -1.801 1.00 0.00 C ATOM 232 C PRO A 17 -3.178 11.465 -1.060 1.00 0.00 C ATOM 233 O PRO A 17 -3.134 11.475 0.174 1.00 0.00 O ATOM 234 CB PRO A 17 -5.662 11.298 -1.314 1.00 0.00 C ATOM 235 CG PRO A 17 -6.532 10.101 -1.164 1.00 0.00 C ATOM 236 CD PRO A 17 -5.623 8.944 -0.861 1.00 0.00 C ATOM 0 HA PRO A 17 -4.150 10.948 -2.863 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.556 11.827 -0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.087 12.004 -2.027 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.255 10.246 -0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.100 9.919 -2.076 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.516 8.787 0.212 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -6.002 8.013 -1.283 1.00 0.00 H new ATOM 244 N LEU A 18 -2.273 12.065 -1.842 1.00 0.00 N ATOM 245 CA LEU A 18 -1.012 12.589 -1.331 1.00 0.00 C ATOM 246 C LEU A 18 -1.202 13.563 -0.182 1.00 0.00 C ATOM 247 O LEU A 18 -0.461 13.532 0.794 1.00 0.00 O ATOM 248 CB LEU A 18 -0.158 13.290 -2.396 1.00 0.00 C ATOM 249 CG LEU A 18 -0.769 13.720 -3.739 1.00 0.00 C ATOM 250 CD1 LEU A 18 -0.901 12.554 -4.703 1.00 0.00 C ATOM 251 CD2 LEU A 18 -2.088 14.462 -3.563 1.00 0.00 C ATOM 0 H LEU A 18 -2.399 12.198 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.489 11.698 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.259 14.184 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.678 12.628 -2.622 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.069 14.426 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.337 12.903 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.084 12.130 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.545 11.791 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.480 14.745 -4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.805 13.815 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.924 15.358 -2.965 1.00 0.00 H new ATOM 263 N LYS A 19 -2.182 14.432 -0.318 1.00 0.00 N ATOM 264 CA LYS A 19 -2.417 15.497 0.654 1.00 0.00 C ATOM 265 C LYS A 19 -2.734 14.951 2.045 1.00 0.00 C ATOM 266 O LYS A 19 -2.392 15.573 3.051 1.00 0.00 O ATOM 267 CB LYS A 19 -3.553 16.408 0.192 1.00 0.00 C ATOM 268 CG LYS A 19 -3.235 17.203 -1.064 1.00 0.00 C ATOM 269 CD LYS A 19 -4.398 18.092 -1.482 1.00 0.00 C ATOM 270 CE LYS A 19 -5.590 17.284 -1.956 1.00 0.00 C ATOM 271 NZ LYS A 19 -6.761 18.146 -2.259 1.00 0.00 N ATOM 0 H LYS A 19 -2.839 14.427 -1.098 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.492 16.070 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.441 15.802 0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.799 17.101 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.352 17.818 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.992 16.518 -1.876 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.696 18.718 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.074 18.762 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.315 16.720 -2.847 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.863 16.557 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.588 17.808 -1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.550 19.127 -1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.966 18.108 -3.278 1.00 0.00 H new ATOM 285 N ARG A 20 -3.379 13.796 2.106 1.00 0.00 N ATOM 286 CA ARG A 20 -3.794 13.241 3.387 1.00 0.00 C ATOM 287 C ARG A 20 -2.782 12.236 3.926 1.00 0.00 C ATOM 288 O ARG A 20 -2.556 12.175 5.135 1.00 0.00 O ATOM 289 CB ARG A 20 -5.185 12.619 3.276 1.00 0.00 C ATOM 290 CG ARG A 20 -6.231 13.411 4.031 1.00 0.00 C ATOM 291 CD ARG A 20 -7.646 13.089 3.576 1.00 0.00 C ATOM 292 NE ARG A 20 -8.580 14.148 3.978 1.00 0.00 N ATOM 293 CZ ARG A 20 -9.910 14.034 3.997 1.00 0.00 C ATOM 294 NH1 ARG A 20 -10.497 12.871 3.754 1.00 0.00 N ATOM 295 NH2 ARG A 20 -10.653 15.094 4.285 1.00 0.00 N ATOM 0 H ARG A 20 -3.625 13.230 1.294 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.840 14.061 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.469 12.555 2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.156 11.600 3.661 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.140 13.204 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.043 14.476 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.666 12.973 2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.962 12.138 4.004 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.181 15.042 4.266 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.931 12.047 3.549 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.514 12.800 3.772 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.208 15.988 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.670 15.015 4.301 1.00 0.00 H new ATOM 309 N ILE A 21 -2.155 11.465 3.046 1.00 0.00 N ATOM 310 CA ILE A 21 -1.130 10.518 3.480 1.00 0.00 C ATOM 311 C ILE A 21 0.120 11.274 3.951 1.00 0.00 C ATOM 312 O ILE A 21 0.866 10.792 4.801 1.00 0.00 O ATOM 313 CB ILE A 21 -0.757 9.507 2.359 1.00 0.00 C ATOM 314 CG1 ILE A 21 0.407 8.601 2.782 1.00 0.00 C ATOM 315 CG2 ILE A 21 -0.421 10.228 1.067 1.00 0.00 C ATOM 316 CD1 ILE A 21 0.126 7.767 4.016 1.00 0.00 C ATOM 0 H ILE A 21 -2.333 11.474 2.042 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.542 9.945 4.311 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.629 8.876 2.188 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.654 7.935 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.286 9.219 2.967 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.164 9.498 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.283 10.810 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.425 10.895 1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.998 7.155 4.248 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.090 8.425 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.732 7.121 3.831 1.00 0.00 H new ATOM 328 N ALA A 22 0.328 12.476 3.411 1.00 0.00 N ATOM 329 CA ALA A 22 1.455 13.319 3.817 1.00 0.00 C ATOM 330 C ALA A 22 1.180 13.988 5.156 1.00 0.00 C ATOM 331 O ALA A 22 2.074 14.576 5.768 1.00 0.00 O ATOM 332 CB ALA A 22 1.745 14.374 2.759 1.00 0.00 C ATOM 0 H ALA A 22 -0.268 12.888 2.693 1.00 0.00 H new ATOM 0 HA ALA A 22 2.330 12.677 3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.585 14.990 3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.992 13.886 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.866 15.003 2.622 1.00 0.00 H new ATOM 338 N ALA A 23 -0.058 13.884 5.605 1.00 0.00 N ATOM 339 CA ALA A 23 -0.487 14.495 6.854 1.00 0.00 C ATOM 340 C ALA A 23 -0.582 13.441 7.945 1.00 0.00 C ATOM 341 O ALA A 23 -0.146 12.308 7.759 1.00 0.00 O ATOM 342 CB ALA A 23 -1.833 15.180 6.663 1.00 0.00 C ATOM 0 H ALA A 23 -0.795 13.375 5.116 1.00 0.00 H new ATOM 0 HA ALA A 23 0.248 15.242 7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.147 15.635 7.603 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.743 15.952 5.899 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.574 14.445 6.351 1.00 0.00 H new ATOM 348 N GLU A 24 -1.164 13.810 9.073 1.00 0.00 N ATOM 349 CA GLU A 24 -1.320 12.890 10.183 1.00 0.00 C ATOM 350 C GLU A 24 -2.783 12.847 10.585 1.00 0.00 C ATOM 351 O GLU A 24 -3.453 13.878 10.639 1.00 0.00 O ATOM 352 CB GLU A 24 -0.442 13.299 11.370 1.00 0.00 C ATOM 353 CG GLU A 24 -0.467 12.296 12.516 1.00 0.00 C ATOM 354 CD GLU A 24 -0.016 10.909 12.094 1.00 0.00 C ATOM 355 OE1 GLU A 24 -0.868 10.112 11.643 1.00 0.00 O ATOM 356 OE2 GLU A 24 1.191 10.610 12.218 1.00 0.00 O ATOM 0 H GLU A 24 -1.537 14.744 9.243 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.998 11.897 9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.585 13.422 11.027 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.773 14.270 11.739 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.177 12.653 13.320 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.478 12.237 12.919 1.00 0.00 H new ATOM 363 N GLY A 25 -3.267 11.655 10.867 1.00 0.00 N ATOM 364 CA GLY A 25 -4.686 11.458 11.064 1.00 0.00 C ATOM 365 C GLY A 25 -5.300 10.822 9.839 1.00 0.00 C ATOM 366 O GLY A 25 -6.516 10.847 9.644 1.00 0.00 O ATOM 0 H GLY A 25 -2.701 10.812 10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.855 10.825 11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.169 12.414 11.267 1.00 0.00 H new ATOM 370 N TYR A 26 -4.434 10.249 9.012 1.00 0.00 N ATOM 371 CA TYR A 26 -4.823 9.639 7.761 1.00 0.00 C ATOM 372 C TYR A 26 -5.672 8.398 8.001 1.00 0.00 C ATOM 373 O TYR A 26 -6.448 7.987 7.142 1.00 0.00 O ATOM 374 CB TYR A 26 -3.570 9.259 6.991 1.00 0.00 C ATOM 375 CG TYR A 26 -3.815 8.897 5.563 1.00 0.00 C ATOM 376 CD1 TYR A 26 -4.685 9.628 4.782 1.00 0.00 C ATOM 377 CD2 TYR A 26 -3.150 7.834 4.993 1.00 0.00 C ATOM 378 CE1 TYR A 26 -4.886 9.309 3.455 1.00 0.00 C ATOM 379 CE2 TYR A 26 -3.345 7.500 3.675 1.00 0.00 C ATOM 380 CZ TYR A 26 -4.211 8.242 2.909 1.00 0.00 C ATOM 381 OH TYR A 26 -4.384 7.926 1.588 1.00 0.00 O ATOM 0 H TYR A 26 -3.433 10.198 9.199 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.417 10.351 7.189 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.868 10.092 7.028 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.091 8.417 7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.217 10.462 5.215 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.464 7.254 5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.566 9.891 2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.821 6.660 3.244 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.768 8.457 1.041 1.00 0.00 H new ATOM 391 N ALA A 27 -5.519 7.801 9.178 1.00 0.00 N ATOM 392 CA ALA A 27 -6.303 6.630 9.547 1.00 0.00 C ATOM 393 C ALA A 27 -7.772 6.996 9.708 1.00 0.00 C ATOM 394 O ALA A 27 -8.628 6.128 9.863 1.00 0.00 O ATOM 395 CB ALA A 27 -5.763 6.013 10.828 1.00 0.00 C ATOM 0 H ALA A 27 -4.859 8.109 9.892 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.220 5.894 8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.359 5.139 11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.726 5.713 10.678 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.816 6.744 11.635 1.00 0.00 H new ATOM 401 N GLU A 28 -8.050 8.293 9.685 1.00 0.00 N ATOM 402 CA GLU A 28 -9.410 8.787 9.762 1.00 0.00 C ATOM 403 C GLU A 28 -9.900 9.238 8.386 1.00 0.00 C ATOM 404 O GLU A 28 -11.023 9.726 8.255 1.00 0.00 O ATOM 405 CB GLU A 28 -9.513 9.942 10.766 1.00 0.00 C ATOM 406 CG GLU A 28 -9.493 9.511 12.230 1.00 0.00 C ATOM 407 CD GLU A 28 -8.219 8.793 12.634 1.00 0.00 C ATOM 408 OE1 GLU A 28 -7.150 9.438 12.663 1.00 0.00 O ATOM 409 OE2 GLU A 28 -8.283 7.582 12.935 1.00 0.00 O ATOM 0 H GLU A 28 -7.342 9.024 9.613 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.046 7.971 10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.688 10.633 10.592 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.434 10.492 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.620 10.391 12.861 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.344 8.857 12.419 1.00 0.00 H new ATOM 416 N ASP A 29 -9.056 9.084 7.361 1.00 0.00 N ATOM 417 CA ASP A 29 -9.464 9.379 5.988 1.00 0.00 C ATOM 418 C ASP A 29 -10.455 8.328 5.516 1.00 0.00 C ATOM 419 O ASP A 29 -10.103 7.162 5.313 1.00 0.00 O ATOM 420 CB ASP A 29 -8.269 9.407 5.030 1.00 0.00 C ATOM 421 CG ASP A 29 -8.711 9.598 3.587 1.00 0.00 C ATOM 422 OD1 ASP A 29 -9.388 10.604 3.294 1.00 0.00 O ATOM 423 OD2 ASP A 29 -8.414 8.730 2.751 1.00 0.00 O ATOM 0 H ASP A 29 -8.094 8.759 7.457 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.924 10.367 5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.594 10.214 5.314 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.709 8.476 5.119 1.00 0.00 H new ATOM 428 N GLU A 30 -11.691 8.768 5.312 1.00 0.00 N ATOM 429 CA GLU A 30 -12.791 7.880 4.986 1.00 0.00 C ATOM 430 C GLU A 30 -12.477 7.121 3.721 1.00 0.00 C ATOM 431 O GLU A 30 -12.688 5.917 3.642 1.00 0.00 O ATOM 432 CB GLU A 30 -14.078 8.683 4.813 1.00 0.00 C ATOM 433 CG GLU A 30 -15.310 7.819 4.631 1.00 0.00 C ATOM 434 CD GLU A 30 -16.560 8.637 4.403 1.00 0.00 C ATOM 435 OE1 GLU A 30 -17.078 9.221 5.378 1.00 0.00 O ATOM 436 OE2 GLU A 30 -17.028 8.695 3.249 1.00 0.00 O ATOM 0 H GLU A 30 -11.955 9.752 5.369 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.929 7.169 5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.218 9.322 5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.974 9.340 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.158 7.149 3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.445 7.193 5.513 1.00 0.00 H new ATOM 443 N LEU A 31 -11.927 7.826 2.751 1.00 0.00 N ATOM 444 CA LEU A 31 -11.589 7.220 1.487 1.00 0.00 C ATOM 445 C LEU A 31 -10.604 6.081 1.689 1.00 0.00 C ATOM 446 O LEU A 31 -10.757 5.021 1.095 1.00 0.00 O ATOM 447 CB LEU A 31 -10.998 8.253 0.544 1.00 0.00 C ATOM 448 CG LEU A 31 -10.704 7.729 -0.854 1.00 0.00 C ATOM 449 CD1 LEU A 31 -11.980 7.629 -1.674 1.00 0.00 C ATOM 450 CD2 LEU A 31 -9.683 8.609 -1.532 1.00 0.00 C ATOM 0 H LEU A 31 -11.706 8.820 2.819 1.00 0.00 H new ATOM 0 HA LEU A 31 -12.502 6.821 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -11.687 9.094 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.074 8.637 0.977 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.289 6.724 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.744 7.252 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -12.675 6.948 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.437 8.615 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.479 8.226 -2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.070 9.625 -1.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.761 8.612 -0.950 1.00 0.00 H new ATOM 462 N LEU A 32 -9.612 6.283 2.552 1.00 0.00 N ATOM 463 CA LEU A 32 -8.628 5.267 2.827 1.00 0.00 C ATOM 464 C LEU A 32 -9.286 4.071 3.482 1.00 0.00 C ATOM 465 O LEU A 32 -8.960 2.929 3.184 1.00 0.00 O ATOM 466 CB LEU A 32 -7.564 5.846 3.742 1.00 0.00 C ATOM 467 CG LEU A 32 -6.191 5.203 3.652 1.00 0.00 C ATOM 468 CD1 LEU A 32 -6.196 3.785 4.185 1.00 0.00 C ATOM 469 CD2 LEU A 32 -5.697 5.233 2.219 1.00 0.00 C ATOM 0 H LEU A 32 -9.477 7.151 3.071 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.168 4.940 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.462 6.909 3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.915 5.766 4.771 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.510 5.780 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.195 3.362 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.502 3.791 5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.894 3.181 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.712 4.770 2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.392 4.684 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.632 6.266 1.878 1.00 0.00 H new ATOM 481 N LEU A 33 -10.216 4.343 4.372 1.00 0.00 N ATOM 482 CA LEU A 33 -10.942 3.294 5.049 1.00 0.00 C ATOM 483 C LEU A 33 -11.679 2.412 4.054 1.00 0.00 C ATOM 484 O LEU A 33 -11.701 1.193 4.192 1.00 0.00 O ATOM 485 CB LEU A 33 -11.901 3.901 6.045 1.00 0.00 C ATOM 486 CG LEU A 33 -11.427 3.853 7.496 1.00 0.00 C ATOM 487 CD1 LEU A 33 -11.334 2.417 7.981 1.00 0.00 C ATOM 488 CD2 LEU A 33 -10.080 4.549 7.639 1.00 0.00 C ATOM 0 H LEU A 33 -10.487 5.288 4.644 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.231 2.663 5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.080 4.940 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.857 3.382 5.972 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.157 4.378 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.995 2.404 9.017 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.315 1.946 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.626 1.868 7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.757 4.506 8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.344 4.050 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.174 5.590 7.331 1.00 0.00 H new ATOM 500 N ASN A 34 -12.270 3.033 3.047 1.00 0.00 N ATOM 501 CA ASN A 34 -12.939 2.290 1.987 1.00 0.00 C ATOM 502 C ASN A 34 -11.908 1.633 1.075 1.00 0.00 C ATOM 503 O ASN A 34 -12.052 0.475 0.694 1.00 0.00 O ATOM 504 CB ASN A 34 -13.855 3.202 1.162 1.00 0.00 C ATOM 505 CG ASN A 34 -15.000 3.784 1.974 1.00 0.00 C ATOM 506 OD1 ASN A 34 -16.072 3.185 2.080 1.00 0.00 O ATOM 507 ND2 ASN A 34 -14.776 4.960 2.541 1.00 0.00 N ATOM 0 H ASN A 34 -12.301 4.047 2.939 1.00 0.00 H new ATOM 0 HA ASN A 34 -13.553 1.520 2.454 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -13.265 4.016 0.741 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -14.262 2.637 0.324 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -15.507 5.407 3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.872 5.418 2.425 1.00 0.00 H new ATOM 514 N GLN A 35 -10.849 2.373 0.764 1.00 0.00 N ATOM 515 CA GLN A 35 -9.838 1.916 -0.190 1.00 0.00 C ATOM 516 C GLN A 35 -9.004 0.766 0.371 1.00 0.00 C ATOM 517 O GLN A 35 -8.879 -0.303 -0.249 1.00 0.00 O ATOM 518 CB GLN A 35 -8.919 3.079 -0.542 1.00 0.00 C ATOM 519 CG GLN A 35 -9.484 3.990 -1.615 1.00 0.00 C ATOM 520 CD GLN A 35 -8.653 5.238 -1.810 1.00 0.00 C ATOM 521 OE1 GLN A 35 -8.542 5.753 -2.921 1.00 0.00 O ATOM 522 NE2 GLN A 35 -8.104 5.757 -0.723 1.00 0.00 N ATOM 0 H GLN A 35 -10.666 3.295 1.159 1.00 0.00 H new ATOM 0 HA GLN A 35 -10.355 1.552 -1.078 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.726 3.665 0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.960 2.685 -0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.542 3.445 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.502 4.273 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.223 5.295 0.179 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.563 6.619 -0.787 1.00 0.00 H new ATOM 531 N MET A 36 -8.484 0.951 1.575 1.00 0.00 N ATOM 532 CA MET A 36 -7.715 -0.096 2.214 1.00 0.00 C ATOM 533 C MET A 36 -8.656 -1.107 2.841 1.00 0.00 C ATOM 534 O MET A 36 -8.280 -2.240 3.068 1.00 0.00 O ATOM 535 CB MET A 36 -6.774 0.473 3.267 1.00 0.00 C ATOM 536 CG MET A 36 -5.666 -0.488 3.650 1.00 0.00 C ATOM 537 SD MET A 36 -4.716 -1.022 2.219 1.00 0.00 S ATOM 538 CE MET A 36 -3.533 -2.119 2.980 1.00 0.00 C ATOM 0 H MET A 36 -8.581 1.807 2.121 1.00 0.00 H new ATOM 0 HA MET A 36 -7.105 -0.588 1.456 1.00 0.00 H new ATOM 0 HB2 MET A 36 -6.333 1.397 2.892 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.347 0.732 4.157 1.00 0.00 H new ATOM 0 HG2 MET A 36 -5.001 -0.008 4.368 1.00 0.00 H new ATOM 0 HG3 MET A 36 -6.096 -1.358 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 36 -3.171 -2.834 2.241 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.694 -1.539 3.365 1.00 0.00 H new ATOM 0 HE3 MET A 36 -4.010 -2.656 3.800 1.00 0.00 H new ATOM 548 N GLY A 37 -9.887 -0.686 3.120 1.00 0.00 N ATOM 549 CA GLY A 37 -10.892 -1.615 3.602 1.00 0.00 C ATOM 550 C GLY A 37 -11.203 -2.672 2.566 1.00 0.00 C ATOM 551 O GLY A 37 -11.430 -3.833 2.898 1.00 0.00 O ATOM 0 H GLY A 37 -10.205 0.278 3.021 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.541 -2.092 4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.802 -1.071 3.855 1.00 0.00 H new ATOM 555 N LYS A 38 -11.222 -2.256 1.310 1.00 0.00 N ATOM 556 CA LYS A 38 -11.333 -3.182 0.195 1.00 0.00 C ATOM 557 C LYS A 38 -10.127 -4.103 0.165 1.00 0.00 C ATOM 558 O LYS A 38 -10.261 -5.326 0.218 1.00 0.00 O ATOM 559 CB LYS A 38 -11.416 -2.414 -1.119 1.00 0.00 C ATOM 560 CG LYS A 38 -12.757 -1.734 -1.359 1.00 0.00 C ATOM 561 CD LYS A 38 -13.884 -2.745 -1.522 1.00 0.00 C ATOM 562 CE LYS A 38 -13.671 -3.633 -2.740 1.00 0.00 C ATOM 563 NZ LYS A 38 -14.749 -4.644 -2.889 1.00 0.00 N ATOM 0 H LYS A 38 -11.161 -1.275 1.036 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.239 -3.775 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.630 -1.659 -1.136 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.217 -3.101 -1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.982 -1.070 -0.524 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.694 -1.113 -2.252 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.950 -3.364 -0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.834 -2.219 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.628 -3.014 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.709 -4.139 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.564 -5.227 -3.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.774 -5.252 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.664 -4.162 -2.996 1.00 0.00 H new ATOM 577 N VAL A 39 -8.949 -3.504 0.097 1.00 0.00 N ATOM 578 CA VAL A 39 -7.706 -4.266 0.083 1.00 0.00 C ATOM 579 C VAL A 39 -7.265 -4.586 1.513 1.00 0.00 C ATOM 580 O VAL A 39 -6.281 -4.045 2.023 1.00 0.00 O ATOM 581 CB VAL A 39 -6.598 -3.482 -0.646 1.00 0.00 C ATOM 582 CG1 VAL A 39 -5.284 -4.246 -0.651 1.00 0.00 C ATOM 583 CG2 VAL A 39 -7.028 -3.139 -2.064 1.00 0.00 C ATOM 0 H VAL A 39 -8.825 -2.493 0.051 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.882 -5.200 -0.452 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.436 -2.553 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.526 -3.663 -1.174 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.962 -4.423 0.375 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.420 -5.201 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.232 -2.586 -2.562 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.231 -4.057 -2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -7.930 -2.528 -2.033 1.00 0.00 H new ATOM 593 N ASN A 40 -8.004 -5.457 2.178 1.00 0.00 N ATOM 594 CA ASN A 40 -7.708 -5.745 3.572 1.00 0.00 C ATOM 595 C ASN A 40 -8.171 -7.121 3.996 1.00 0.00 C ATOM 596 O ASN A 40 -7.518 -7.782 4.796 1.00 0.00 O ATOM 597 CB ASN A 40 -8.367 -4.705 4.473 1.00 0.00 C ATOM 598 CG ASN A 40 -7.375 -4.073 5.427 1.00 0.00 C ATOM 599 OD1 ASN A 40 -7.705 -3.753 6.567 1.00 0.00 O ATOM 600 ND2 ASN A 40 -6.160 -3.855 4.951 1.00 0.00 N ATOM 0 H ASN A 40 -8.796 -5.967 1.787 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.623 -5.710 3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.824 -3.929 3.858 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.169 -5.174 5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -5.456 -3.406 5.536 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.927 -4.136 3.999 1.00 0.00 H new ATOM 607 N ASP A 41 -9.284 -7.564 3.454 1.00 0.00 N ATOM 608 CA ASP A 41 -9.921 -8.774 3.970 1.00 0.00 C ATOM 609 C ASP A 41 -9.281 -10.021 3.390 1.00 0.00 C ATOM 610 O ASP A 41 -9.129 -11.034 4.072 1.00 0.00 O ATOM 611 CB ASP A 41 -11.426 -8.772 3.692 1.00 0.00 C ATOM 612 CG ASP A 41 -12.196 -7.925 4.685 1.00 0.00 C ATOM 613 OD1 ASP A 41 -12.621 -8.460 5.731 1.00 0.00 O ATOM 614 OD2 ASP A 41 -12.383 -6.721 4.430 1.00 0.00 O ATOM 0 H ASP A 41 -9.766 -7.121 2.671 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.773 -8.782 5.050 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.606 -8.399 2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.800 -9.795 3.725 1.00 0.00 H new ATOM 619 N THR A 42 -8.900 -9.943 2.130 1.00 0.00 N ATOM 620 CA THR A 42 -8.257 -11.060 1.466 1.00 0.00 C ATOM 621 C THR A 42 -7.028 -10.590 0.674 1.00 0.00 C ATOM 622 O THR A 42 -7.027 -10.609 -0.556 1.00 0.00 O ATOM 623 CB THR A 42 -9.259 -11.765 0.527 1.00 0.00 C ATOM 624 OG1 THR A 42 -10.497 -11.975 1.221 1.00 0.00 O ATOM 625 CG2 THR A 42 -8.724 -13.105 0.055 1.00 0.00 C ATOM 0 H THR A 42 -9.025 -9.117 1.545 1.00 0.00 H new ATOM 0 HA THR A 42 -7.924 -11.767 2.226 1.00 0.00 H new ATOM 0 HB THR A 42 -9.413 -11.127 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.134 -12.421 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.453 -13.576 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.790 -12.954 -0.486 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.544 -13.749 0.916 1.00 0.00 H new ATOM 633 N PRO A 43 -5.974 -10.114 1.368 1.00 0.00 N ATOM 634 CA PRO A 43 -4.735 -9.693 0.724 1.00 0.00 C ATOM 635 C PRO A 43 -3.646 -10.771 0.761 1.00 0.00 C ATOM 636 O PRO A 43 -2.511 -10.523 0.356 1.00 0.00 O ATOM 637 CB PRO A 43 -4.340 -8.524 1.607 1.00 0.00 C ATOM 638 CG PRO A 43 -4.693 -8.996 2.981 1.00 0.00 C ATOM 639 CD PRO A 43 -5.909 -9.880 2.827 1.00 0.00 C ATOM 0 HA PRO A 43 -4.858 -9.469 -0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.278 -8.296 1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.884 -7.617 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -3.865 -9.548 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.906 -8.153 3.639 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.801 -10.813 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.811 -9.392 3.197 1.00 0.00 H new ATOM 647 N GLU A 44 -4.005 -11.946 1.286 1.00 0.00 N ATOM 648 CA GLU A 44 -3.092 -13.090 1.447 1.00 0.00 C ATOM 649 C GLU A 44 -2.078 -12.874 2.575 1.00 0.00 C ATOM 650 O GLU A 44 -1.763 -13.804 3.315 1.00 0.00 O ATOM 651 CB GLU A 44 -2.366 -13.427 0.139 1.00 0.00 C ATOM 652 CG GLU A 44 -1.451 -14.635 0.261 1.00 0.00 C ATOM 653 CD GLU A 44 -0.846 -15.056 -1.056 1.00 0.00 C ATOM 654 OE1 GLU A 44 0.235 -14.550 -1.411 1.00 0.00 O ATOM 655 OE2 GLU A 44 -1.439 -15.920 -1.736 1.00 0.00 O ATOM 0 H GLU A 44 -4.951 -12.136 1.617 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.718 -13.939 1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.103 -13.614 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.779 -12.564 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.651 -14.407 0.965 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.015 -15.469 0.678 1.00 0.00 H new ATOM 662 N GLU A 45 -1.563 -11.657 2.698 1.00 0.00 N ATOM 663 CA GLU A 45 -0.577 -11.334 3.729 1.00 0.00 C ATOM 664 C GLU A 45 -1.198 -11.467 5.119 1.00 0.00 C ATOM 665 O GLU A 45 -1.008 -12.474 5.803 1.00 0.00 O ATOM 666 CB GLU A 45 -0.053 -9.911 3.506 1.00 0.00 C ATOM 667 CG GLU A 45 1.383 -9.678 3.958 1.00 0.00 C ATOM 668 CD GLU A 45 1.555 -9.620 5.464 1.00 0.00 C ATOM 669 OE1 GLU A 45 1.438 -8.515 6.036 1.00 0.00 O ATOM 670 OE2 GLU A 45 1.837 -10.671 6.074 1.00 0.00 O ATOM 0 H GLU A 45 -1.811 -10.873 2.095 1.00 0.00 H new ATOM 0 HA GLU A 45 0.256 -12.034 3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.127 -9.674 2.445 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.703 -9.213 4.034 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.012 -10.475 3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.742 -8.744 3.526 1.00 0.00 H new ATOM 677 N GLU A 46 -1.955 -10.453 5.516 1.00 0.00 N ATOM 678 CA GLU A 46 -2.642 -10.448 6.801 1.00 0.00 C ATOM 679 C GLU A 46 -3.992 -9.764 6.666 1.00 0.00 C ATOM 680 O GLU A 46 -5.020 -10.417 6.501 1.00 0.00 O ATOM 681 CB GLU A 46 -1.799 -9.742 7.868 1.00 0.00 C ATOM 682 CG GLU A 46 -0.729 -10.622 8.488 1.00 0.00 C ATOM 683 CD GLU A 46 -1.314 -11.691 9.386 1.00 0.00 C ATOM 684 OE1 GLU A 46 -1.698 -12.768 8.884 1.00 0.00 O ATOM 685 OE2 GLU A 46 -1.407 -11.452 10.612 1.00 0.00 O ATOM 0 H GLU A 46 -2.110 -9.613 4.958 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.794 -11.481 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.324 -8.868 7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.458 -9.379 8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.146 -11.094 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.041 -10.003 9.064 1.00 0.00 H new ATOM 692 N GLY A 47 -3.978 -8.442 6.707 1.00 0.00 N ATOM 693 CA GLY A 47 -5.192 -7.684 6.535 1.00 0.00 C ATOM 694 C GLY A 47 -5.104 -6.320 7.163 1.00 0.00 C ATOM 695 O GLY A 47 -4.343 -5.467 6.705 1.00 0.00 O ATOM 0 H GLY A 47 -3.140 -7.880 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.405 -7.579 5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.026 -8.232 6.975 1.00 0.00 H new ATOM 699 N MET A 48 -5.857 -6.121 8.229 1.00 0.00 N ATOM 700 CA MET A 48 -5.858 -4.849 8.933 1.00 0.00 C ATOM 701 C MET A 48 -4.464 -4.490 9.472 1.00 0.00 C ATOM 702 O MET A 48 -4.058 -3.333 9.390 1.00 0.00 O ATOM 703 CB MET A 48 -6.880 -4.846 10.069 1.00 0.00 C ATOM 704 CG MET A 48 -7.200 -3.447 10.574 1.00 0.00 C ATOM 705 SD MET A 48 -7.442 -3.375 12.359 1.00 0.00 S ATOM 706 CE MET A 48 -5.771 -3.688 12.930 1.00 0.00 C ATOM 0 H MET A 48 -6.478 -6.825 8.628 1.00 0.00 H new ATOM 0 HA MET A 48 -6.142 -4.088 8.207 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.799 -5.322 9.726 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.499 -5.447 10.895 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.390 -2.773 10.296 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.100 -3.085 10.077 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.655 -3.304 13.943 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.580 -4.761 12.924 1.00 0.00 H new ATOM 0 HE3 MET A 48 -5.061 -3.190 12.270 1.00 0.00 H new ATOM 716 N PRO A 49 -3.703 -5.459 10.034 1.00 0.00 N ATOM 717 CA PRO A 49 -2.321 -5.208 10.462 1.00 0.00 C ATOM 718 C PRO A 49 -1.449 -4.761 9.299 1.00 0.00 C ATOM 719 O PRO A 49 -0.663 -3.820 9.426 1.00 0.00 O ATOM 720 CB PRO A 49 -1.848 -6.564 10.991 1.00 0.00 C ATOM 721 CG PRO A 49 -3.100 -7.285 11.334 1.00 0.00 C ATOM 722 CD PRO A 49 -4.108 -6.845 10.323 1.00 0.00 C ATOM 0 HA PRO A 49 -2.260 -4.412 11.204 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.272 -7.104 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.205 -6.448 11.863 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.953 -8.364 11.297 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.427 -7.042 12.345 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.082 -7.468 9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.123 -6.895 10.717 1.00 0.00 H new ATOM 730 N LEU A 50 -1.586 -5.444 8.162 1.00 0.00 N ATOM 731 CA LEU A 50 -0.839 -5.073 6.973 1.00 0.00 C ATOM 732 C LEU A 50 -1.190 -3.642 6.566 1.00 0.00 C ATOM 733 O LEU A 50 -0.323 -2.884 6.157 1.00 0.00 O ATOM 734 CB LEU A 50 -1.023 -6.108 5.836 1.00 0.00 C ATOM 735 CG LEU A 50 -2.108 -5.861 4.788 1.00 0.00 C ATOM 736 CD1 LEU A 50 -1.681 -4.825 3.768 1.00 0.00 C ATOM 737 CD2 LEU A 50 -2.413 -7.155 4.083 1.00 0.00 C ATOM 0 H LEU A 50 -2.202 -6.248 8.045 1.00 0.00 H new ATOM 0 HA LEU A 50 0.227 -5.088 7.198 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.071 -6.196 5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.223 -7.075 6.298 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.993 -5.482 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.480 -4.679 3.041 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.473 -3.882 4.273 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.783 -5.168 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.186 -6.987 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.511 -7.526 3.597 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.763 -7.890 4.807 1.00 0.00 H new ATOM 749 N ARG A 51 -2.462 -3.275 6.720 1.00 0.00 N ATOM 750 CA ARG A 51 -2.902 -1.897 6.511 1.00 0.00 C ATOM 751 C ARG A 51 -2.108 -0.927 7.380 1.00 0.00 C ATOM 752 O ARG A 51 -1.584 0.067 6.885 1.00 0.00 O ATOM 753 CB ARG A 51 -4.406 -1.775 6.814 1.00 0.00 C ATOM 754 CG ARG A 51 -4.836 -0.419 7.356 1.00 0.00 C ATOM 755 CD ARG A 51 -6.295 -0.425 7.794 1.00 0.00 C ATOM 756 NE ARG A 51 -6.646 0.784 8.540 1.00 0.00 N ATOM 757 CZ ARG A 51 -7.838 1.008 9.096 1.00 0.00 C ATOM 758 NH1 ARG A 51 -8.816 0.120 8.982 1.00 0.00 N ATOM 759 NH2 ARG A 51 -8.048 2.126 9.780 1.00 0.00 N ATOM 0 H ARG A 51 -3.208 -3.916 6.990 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.724 -1.636 5.468 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.965 -1.980 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.681 -2.544 7.536 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.203 -0.147 8.201 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -4.689 0.342 6.590 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.937 -0.510 6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.484 -1.302 8.413 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.931 1.504 8.642 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.661 -0.745 8.465 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.723 0.302 9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.299 2.811 9.879 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.958 2.300 10.206 1.00 0.00 H new ATOM 773 N ALA A 52 -2.010 -1.235 8.665 1.00 0.00 N ATOM 774 CA ALA A 52 -1.315 -0.378 9.612 1.00 0.00 C ATOM 775 C ALA A 52 0.146 -0.167 9.218 1.00 0.00 C ATOM 776 O ALA A 52 0.620 0.973 9.176 1.00 0.00 O ATOM 777 CB ALA A 52 -1.411 -0.968 11.012 1.00 0.00 C ATOM 0 H ALA A 52 -2.407 -2.079 9.077 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.799 0.599 9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.888 -0.321 11.716 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.459 -1.048 11.302 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.955 -1.958 11.022 1.00 0.00 H new ATOM 783 N TRP A 53 0.855 -1.253 8.904 1.00 0.00 N ATOM 784 CA TRP A 53 2.266 -1.137 8.551 1.00 0.00 C ATOM 785 C TRP A 53 2.424 -0.506 7.177 1.00 0.00 C ATOM 786 O TRP A 53 3.310 0.317 6.961 1.00 0.00 O ATOM 787 CB TRP A 53 3.003 -2.498 8.654 1.00 0.00 C ATOM 788 CG TRP A 53 2.922 -3.437 7.470 1.00 0.00 C ATOM 789 CD1 TRP A 53 2.276 -4.638 7.428 1.00 0.00 C ATOM 790 CD2 TRP A 53 3.563 -3.294 6.189 1.00 0.00 C ATOM 791 NE1 TRP A 53 2.448 -5.227 6.193 1.00 0.00 N ATOM 792 CE2 TRP A 53 3.234 -4.427 5.427 1.00 0.00 C ATOM 793 CE3 TRP A 53 4.366 -2.316 5.607 1.00 0.00 C ATOM 794 CZ2 TRP A 53 3.686 -4.610 4.130 1.00 0.00 C ATOM 795 CZ3 TRP A 53 4.819 -2.498 4.317 1.00 0.00 C ATOM 796 CH2 TRP A 53 4.479 -3.641 3.592 1.00 0.00 C ATOM 0 H TRP A 53 0.483 -2.203 8.887 1.00 0.00 H new ATOM 0 HA TRP A 53 2.739 -0.476 9.277 1.00 0.00 H new ATOM 0 HB2 TRP A 53 4.056 -2.294 8.848 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.614 -3.024 9.526 1.00 0.00 H new ATOM 0 HD1 TRP A 53 1.712 -5.065 8.244 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.049 -6.120 5.902 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.631 -1.426 6.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 3.419 -5.491 3.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.446 -1.745 3.862 1.00 0.00 H new ATOM 0 HH2 TRP A 53 4.851 -3.760 2.585 1.00 0.00 H new ATOM 807 N VAL A 54 1.546 -0.883 6.263 1.00 0.00 N ATOM 808 CA VAL A 54 1.571 -0.370 4.904 1.00 0.00 C ATOM 809 C VAL A 54 1.343 1.134 4.888 1.00 0.00 C ATOM 810 O VAL A 54 2.122 1.871 4.293 1.00 0.00 O ATOM 811 CB VAL A 54 0.513 -1.093 4.051 1.00 0.00 C ATOM 812 CG1 VAL A 54 -0.108 -0.180 3.001 1.00 0.00 C ATOM 813 CG2 VAL A 54 1.112 -2.318 3.385 1.00 0.00 C ATOM 0 H VAL A 54 0.797 -1.552 6.442 1.00 0.00 H new ATOM 0 HA VAL A 54 2.555 -0.561 4.477 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.283 -1.402 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.848 -0.737 2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.591 0.664 3.493 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.670 0.187 2.332 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.349 -2.816 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.938 -2.015 2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.480 -3.004 4.148 1.00 0.00 H new ATOM 823 N ILE A 55 0.287 1.585 5.557 1.00 0.00 N ATOM 824 CA ILE A 55 0.007 3.008 5.664 1.00 0.00 C ATOM 825 C ILE A 55 1.172 3.726 6.340 1.00 0.00 C ATOM 826 O ILE A 55 1.528 4.835 5.957 1.00 0.00 O ATOM 827 CB ILE A 55 -1.309 3.267 6.434 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.500 2.747 5.628 1.00 0.00 C ATOM 829 CG2 ILE A 55 -1.485 4.745 6.754 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.804 2.768 6.387 1.00 0.00 C ATOM 0 H ILE A 55 -0.387 0.985 6.032 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.115 3.404 4.656 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.258 2.729 7.381 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.606 3.348 4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.293 1.726 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.420 4.891 7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.652 5.086 7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.509 5.318 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.602 2.385 5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.718 2.143 7.276 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.036 3.791 6.683 1.00 0.00 H new ATOM 842 N LYS A 56 1.784 3.069 7.322 1.00 0.00 N ATOM 843 CA LYS A 56 2.928 3.636 8.026 1.00 0.00 C ATOM 844 C LYS A 56 4.142 3.752 7.097 1.00 0.00 C ATOM 845 O LYS A 56 4.778 4.804 7.021 1.00 0.00 O ATOM 846 CB LYS A 56 3.279 2.770 9.240 1.00 0.00 C ATOM 847 CG LYS A 56 4.284 3.397 10.202 1.00 0.00 C ATOM 848 CD LYS A 56 3.705 4.603 10.932 1.00 0.00 C ATOM 849 CE LYS A 56 4.119 5.919 10.288 1.00 0.00 C ATOM 850 NZ LYS A 56 5.581 6.165 10.412 1.00 0.00 N ATOM 0 H LYS A 56 1.506 2.143 7.647 1.00 0.00 H new ATOM 0 HA LYS A 56 2.659 4.637 8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.363 2.547 9.787 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.679 1.819 8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.601 2.651 10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.173 3.701 9.649 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.617 4.532 10.942 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.035 4.589 11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.841 5.910 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.573 6.739 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.805 7.115 10.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.861 6.099 11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.101 5.454 9.859 1.00 0.00 H new ATOM 864 N CYS A 57 4.449 2.673 6.384 1.00 0.00 N ATOM 865 CA CYS A 57 5.600 2.645 5.486 1.00 0.00 C ATOM 866 C CYS A 57 5.375 3.522 4.257 1.00 0.00 C ATOM 867 O CYS A 57 6.288 4.224 3.821 1.00 0.00 O ATOM 868 CB CYS A 57 5.917 1.212 5.059 1.00 0.00 C ATOM 869 SG CYS A 57 6.480 0.153 6.411 1.00 0.00 S ATOM 0 H CYS A 57 3.916 1.804 6.410 1.00 0.00 H new ATOM 0 HA CYS A 57 6.452 3.047 6.035 1.00 0.00 H new ATOM 0 HB2 CYS A 57 5.026 0.771 4.612 1.00 0.00 H new ATOM 0 HB3 CYS A 57 6.684 1.235 4.285 1.00 0.00 H new ATOM 0 HG CYS A 57 6.158 -1.081 6.158 1.00 0.00 H new ATOM 875 N ALA A 58 4.165 3.481 3.702 1.00 0.00 N ATOM 876 CA ALA A 58 3.820 4.324 2.562 1.00 0.00 C ATOM 877 C ALA A 58 3.910 5.793 2.965 1.00 0.00 C ATOM 878 O ALA A 58 4.360 6.644 2.198 1.00 0.00 O ATOM 879 CB ALA A 58 2.421 4.000 2.053 1.00 0.00 C ATOM 0 H ALA A 58 3.410 2.875 4.023 1.00 0.00 H new ATOM 0 HA ALA A 58 4.526 4.129 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.186 4.641 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.379 2.956 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.696 4.171 2.848 1.00 0.00 H new ATOM 885 N HIS A 59 3.482 6.060 4.197 1.00 0.00 N ATOM 886 CA HIS A 59 3.570 7.383 4.808 1.00 0.00 C ATOM 887 C HIS A 59 5.018 7.863 4.804 1.00 0.00 C ATOM 888 O HIS A 59 5.331 8.942 4.303 1.00 0.00 O ATOM 889 CB HIS A 59 3.060 7.284 6.251 1.00 0.00 C ATOM 890 CG HIS A 59 2.574 8.559 6.863 1.00 0.00 C ATOM 891 ND1 HIS A 59 1.594 8.581 7.829 1.00 0.00 N ATOM 892 CD2 HIS A 59 2.947 9.845 6.679 1.00 0.00 C ATOM 893 CE1 HIS A 59 1.385 9.823 8.211 1.00 0.00 C ATOM 894 NE2 HIS A 59 2.191 10.611 7.530 1.00 0.00 N ATOM 0 H HIS A 59 3.061 5.357 4.804 1.00 0.00 H new ATOM 0 HA HIS A 59 2.967 8.095 4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.248 6.558 6.279 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.863 6.888 6.873 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.699 10.203 5.991 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.673 10.142 8.957 1.00 0.00 H new ATOM 0 HE2 HIS A 59 2.245 11.626 7.620 1.00 0.00 H new ATOM 903 N GLU A 60 5.892 7.032 5.357 1.00 0.00 N ATOM 904 CA GLU A 60 7.312 7.340 5.448 1.00 0.00 C ATOM 905 C GLU A 60 7.943 7.465 4.063 1.00 0.00 C ATOM 906 O GLU A 60 8.776 8.342 3.835 1.00 0.00 O ATOM 907 CB GLU A 60 8.021 6.261 6.268 1.00 0.00 C ATOM 908 CG GLU A 60 7.605 6.254 7.730 1.00 0.00 C ATOM 909 CD GLU A 60 8.072 5.023 8.480 1.00 0.00 C ATOM 910 OE1 GLU A 60 9.265 4.673 8.384 1.00 0.00 O ATOM 911 OE2 GLU A 60 7.246 4.402 9.177 1.00 0.00 O ATOM 0 H GLU A 60 5.637 6.128 5.754 1.00 0.00 H new ATOM 0 HA GLU A 60 7.426 8.302 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.810 5.285 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 60 9.098 6.413 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.005 7.142 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.519 6.318 7.792 1.00 0.00 H new ATOM 918 N ALA A 61 7.525 6.597 3.144 1.00 0.00 N ATOM 919 CA ALA A 61 8.041 6.607 1.779 1.00 0.00 C ATOM 920 C ALA A 61 7.730 7.925 1.087 1.00 0.00 C ATOM 921 O ALA A 61 8.583 8.501 0.411 1.00 0.00 O ATOM 922 CB ALA A 61 7.457 5.451 0.976 1.00 0.00 C ATOM 0 H ALA A 61 6.827 5.875 3.322 1.00 0.00 H new ATOM 0 HA ALA A 61 9.123 6.491 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.854 5.476 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.727 4.507 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.371 5.543 0.943 1.00 0.00 H new ATOM 928 N LEU A 62 6.506 8.404 1.268 1.00 0.00 N ATOM 929 CA LEU A 62 6.081 9.648 0.647 1.00 0.00 C ATOM 930 C LEU A 62 6.815 10.835 1.252 1.00 0.00 C ATOM 931 O LEU A 62 7.308 11.687 0.529 1.00 0.00 O ATOM 932 CB LEU A 62 4.576 9.849 0.800 1.00 0.00 C ATOM 933 CG LEU A 62 4.026 11.100 0.112 1.00 0.00 C ATOM 934 CD1 LEU A 62 3.808 10.850 -1.369 1.00 0.00 C ATOM 935 CD2 LEU A 62 2.740 11.544 0.769 1.00 0.00 C ATOM 0 H LEU A 62 5.793 7.950 1.839 1.00 0.00 H new ATOM 0 HA LEU A 62 6.323 9.583 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.064 8.975 0.398 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.336 9.899 1.862 1.00 0.00 H new ATOM 0 HG LEU A 62 4.762 11.897 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.417 11.753 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.755 10.581 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.095 10.036 -1.499 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.363 12.435 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.000 10.747 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.927 11.771 1.819 1.00 0.00 H new ATOM 947 N GLU A 63 6.891 10.889 2.576 1.00 0.00 N ATOM 948 CA GLU A 63 7.544 12.010 3.253 1.00 0.00 C ATOM 949 C GLU A 63 9.040 12.043 2.939 1.00 0.00 C ATOM 950 O GLU A 63 9.666 13.102 2.965 1.00 0.00 O ATOM 951 CB GLU A 63 7.345 11.928 4.767 1.00 0.00 C ATOM 952 CG GLU A 63 5.893 11.881 5.215 1.00 0.00 C ATOM 953 CD GLU A 63 5.767 11.927 6.721 1.00 0.00 C ATOM 954 OE1 GLU A 63 5.857 10.861 7.369 1.00 0.00 O ATOM 955 OE2 GLU A 63 5.589 13.033 7.271 1.00 0.00 O ATOM 0 H GLU A 63 6.513 10.177 3.201 1.00 0.00 H new ATOM 0 HA GLU A 63 7.083 12.926 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.855 11.039 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.826 12.789 5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.351 12.720 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.426 10.971 4.839 1.00 0.00 H new ATOM 962 N LYS A 64 9.603 10.874 2.650 1.00 0.00 N ATOM 963 CA LYS A 64 11.019 10.752 2.320 1.00 0.00 C ATOM 964 C LYS A 64 11.310 11.480 1.006 1.00 0.00 C ATOM 965 O LYS A 64 12.372 12.078 0.829 1.00 0.00 O ATOM 966 CB LYS A 64 11.389 9.262 2.220 1.00 0.00 C ATOM 967 CG LYS A 64 12.878 8.955 2.348 1.00 0.00 C ATOM 968 CD LYS A 64 13.645 9.292 1.082 1.00 0.00 C ATOM 969 CE LYS A 64 15.118 8.944 1.209 1.00 0.00 C ATOM 970 NZ LYS A 64 15.888 9.368 0.011 1.00 0.00 N ATOM 0 H LYS A 64 9.095 9.990 2.638 1.00 0.00 H new ATOM 0 HA LYS A 64 11.624 11.211 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.853 8.718 2.998 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.036 8.879 1.262 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.293 9.520 3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.011 7.898 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.214 8.750 0.240 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.539 10.355 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.530 9.425 2.096 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.227 7.869 1.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.889 9.114 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.510 8.890 -0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.804 10.398 -0.109 1.00 0.00 H new ATOM 984 N ASN A 65 10.345 11.443 0.103 1.00 0.00 N ATOM 985 CA ASN A 65 10.464 12.089 -1.195 1.00 0.00 C ATOM 986 C ASN A 65 9.083 12.530 -1.679 1.00 0.00 C ATOM 987 O ASN A 65 8.498 11.928 -2.582 1.00 0.00 O ATOM 988 CB ASN A 65 11.136 11.157 -2.216 1.00 0.00 C ATOM 989 CG ASN A 65 10.643 9.719 -2.139 1.00 0.00 C ATOM 990 OD1 ASN A 65 11.264 8.869 -1.496 1.00 0.00 O ATOM 991 ND2 ASN A 65 9.519 9.447 -2.770 1.00 0.00 N ATOM 0 H ASN A 65 9.456 10.964 0.248 1.00 0.00 H new ATOM 0 HA ASN A 65 11.098 12.970 -1.092 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.957 11.541 -3.220 1.00 0.00 H new ATOM 0 HB3 ASN A 65 12.214 11.173 -2.056 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.131 8.504 -2.738 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.036 10.179 -3.291 1.00 0.00 H new ATOM 998 N PRO A 66 8.556 13.617 -1.092 1.00 0.00 N ATOM 999 CA PRO A 66 7.158 14.035 -1.273 1.00 0.00 C ATOM 1000 C PRO A 66 6.906 14.738 -2.604 1.00 0.00 C ATOM 1001 O PRO A 66 6.255 15.784 -2.660 1.00 0.00 O ATOM 1002 CB PRO A 66 6.944 14.987 -0.095 1.00 0.00 C ATOM 1003 CG PRO A 66 8.281 15.603 0.126 1.00 0.00 C ATOM 1004 CD PRO A 66 9.291 14.535 -0.203 1.00 0.00 C ATOM 0 HA PRO A 66 6.473 13.188 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.191 15.741 -0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.600 14.453 0.791 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.417 16.478 -0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.390 15.939 1.157 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.168 14.953 -0.697 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.642 14.027 0.695 1.00 0.00 H new ATOM 1012 N LYS A 67 7.420 14.147 -3.673 1.00 0.00 N ATOM 1013 CA LYS A 67 7.248 14.668 -5.023 1.00 0.00 C ATOM 1014 C LYS A 67 7.093 13.505 -5.996 1.00 0.00 C ATOM 1015 O LYS A 67 7.572 13.550 -7.128 1.00 0.00 O ATOM 1016 CB LYS A 67 8.442 15.540 -5.426 1.00 0.00 C ATOM 1017 CG LYS A 67 8.612 16.779 -4.561 1.00 0.00 C ATOM 1018 CD LYS A 67 9.764 17.660 -5.024 1.00 0.00 C ATOM 1019 CE LYS A 67 11.100 16.931 -4.979 1.00 0.00 C ATOM 1020 NZ LYS A 67 11.441 16.306 -6.284 1.00 0.00 N ATOM 0 H LYS A 67 7.970 13.289 -3.629 1.00 0.00 H new ATOM 0 HA LYS A 67 6.353 15.289 -5.051 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.352 14.942 -5.372 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.323 15.846 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.688 17.357 -4.575 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.783 16.476 -3.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.572 18.001 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.815 18.548 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.886 17.632 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.067 16.162 -4.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.805 15.345 -6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.590 16.260 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.168 16.876 -6.763 1.00 0.00 H new ATOM 1034 N ILE A 68 6.446 12.454 -5.521 1.00 0.00 N ATOM 1035 CA ILE A 68 6.214 11.259 -6.319 1.00 0.00 C ATOM 1036 C ILE A 68 4.739 11.122 -6.656 1.00 0.00 C ATOM 1037 O ILE A 68 3.964 12.062 -6.476 1.00 0.00 O ATOM 1038 CB ILE A 68 6.679 9.999 -5.572 1.00 0.00 C ATOM 1039 CG1 ILE A 68 6.076 9.959 -4.161 1.00 0.00 C ATOM 1040 CG2 ILE A 68 8.194 9.960 -5.533 1.00 0.00 C ATOM 1041 CD1 ILE A 68 6.375 8.684 -3.409 1.00 0.00 C ATOM 0 H ILE A 68 6.068 12.404 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 68 6.790 11.360 -7.239 1.00 0.00 H new ATOM 0 HB ILE A 68 6.328 9.113 -6.101 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.456 10.805 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.995 10.083 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.521 9.066 -5.003 1.00 0.00 H new ATOM 0 HG22 ILE A 68 8.584 9.942 -6.551 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.568 10.845 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.917 8.728 -2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.971 7.834 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 68 7.454 8.568 -3.304 1.00 0.00 H new ATOM 1053 N ARG A 69 4.357 9.952 -7.145 1.00 0.00 N ATOM 1054 CA ARG A 69 2.982 9.728 -7.567 1.00 0.00 C ATOM 1055 C ARG A 69 2.530 8.304 -7.263 1.00 0.00 C ATOM 1056 O ARG A 69 1.338 8.025 -7.249 1.00 0.00 O ATOM 1057 CB ARG A 69 2.823 9.996 -9.066 1.00 0.00 C ATOM 1058 CG ARG A 69 3.562 8.997 -9.941 1.00 0.00 C ATOM 1059 CD ARG A 69 3.191 9.146 -11.403 1.00 0.00 C ATOM 1060 NE ARG A 69 3.770 8.079 -12.214 1.00 0.00 N ATOM 1061 CZ ARG A 69 3.277 7.679 -13.384 1.00 0.00 C ATOM 1062 NH1 ARG A 69 2.207 8.278 -13.900 1.00 0.00 N ATOM 1063 NH2 ARG A 69 3.851 6.672 -14.034 1.00 0.00 N ATOM 0 H ARG A 69 4.974 9.148 -7.259 1.00 0.00 H new ATOM 0 HA ARG A 69 2.357 10.422 -7.005 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.763 9.976 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.185 11.000 -9.288 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.637 9.136 -9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.333 7.984 -9.609 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.106 9.135 -11.507 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.537 10.112 -11.770 1.00 0.00 H new ATOM 0 HE ARG A 69 4.605 7.611 -11.862 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.761 9.047 -13.399 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.832 7.969 -14.797 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.667 6.208 -13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.475 6.364 -14.931 1.00 0.00 H new ATOM 1077 N GLU A 70 3.481 7.398 -7.070 1.00 0.00 N ATOM 1078 CA GLU A 70 3.159 6.007 -6.806 1.00 0.00 C ATOM 1079 C GLU A 70 4.395 5.252 -6.291 1.00 0.00 C ATOM 1080 O GLU A 70 5.523 5.601 -6.635 1.00 0.00 O ATOM 1081 CB GLU A 70 2.605 5.403 -8.101 1.00 0.00 C ATOM 1082 CG GLU A 70 2.901 3.930 -8.307 1.00 0.00 C ATOM 1083 CD GLU A 70 2.905 3.547 -9.776 1.00 0.00 C ATOM 1084 OE1 GLU A 70 3.967 3.669 -10.422 1.00 0.00 O ATOM 1085 OE2 GLU A 70 1.856 3.115 -10.292 1.00 0.00 O ATOM 0 H GLU A 70 4.480 7.604 -7.092 1.00 0.00 H new ATOM 0 HA GLU A 70 2.406 5.925 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.524 5.545 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.011 5.960 -8.945 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.870 3.691 -7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.156 3.334 -7.780 1.00 0.00 H new ATOM 1092 N VAL A 71 4.176 4.235 -5.460 1.00 0.00 N ATOM 1093 CA VAL A 71 5.257 3.402 -4.933 1.00 0.00 C ATOM 1094 C VAL A 71 4.847 1.933 -4.919 1.00 0.00 C ATOM 1095 O VAL A 71 3.660 1.608 -4.934 1.00 0.00 O ATOM 1096 CB VAL A 71 5.686 3.808 -3.503 1.00 0.00 C ATOM 1097 CG1 VAL A 71 6.336 5.180 -3.497 1.00 0.00 C ATOM 1098 CG2 VAL A 71 4.504 3.766 -2.544 1.00 0.00 C ATOM 0 H VAL A 71 3.248 3.965 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 71 6.106 3.555 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 71 6.424 3.083 -3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.628 5.440 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.219 5.167 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.628 5.920 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.834 4.056 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.733 4.457 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.097 2.755 -2.512 1.00 0.00 H new ATOM 1108 N TYR A 72 5.831 1.052 -4.908 1.00 0.00 N ATOM 1109 CA TYR A 72 5.579 -0.381 -4.880 1.00 0.00 C ATOM 1110 C TYR A 72 6.128 -0.967 -3.587 1.00 0.00 C ATOM 1111 O TYR A 72 7.341 -0.969 -3.370 1.00 0.00 O ATOM 1112 CB TYR A 72 6.250 -1.056 -6.083 1.00 0.00 C ATOM 1113 CG TYR A 72 6.203 -0.221 -7.343 1.00 0.00 C ATOM 1114 CD1 TYR A 72 5.040 -0.117 -8.090 1.00 0.00 C ATOM 1115 CD2 TYR A 72 7.324 0.480 -7.772 1.00 0.00 C ATOM 1116 CE1 TYR A 72 4.992 0.662 -9.228 1.00 0.00 C ATOM 1117 CE2 TYR A 72 7.286 1.258 -8.912 1.00 0.00 C ATOM 1118 CZ TYR A 72 6.116 1.346 -9.635 1.00 0.00 C ATOM 1119 OH TYR A 72 6.067 2.130 -10.766 1.00 0.00 O ATOM 0 H TYR A 72 6.819 1.304 -4.918 1.00 0.00 H new ATOM 0 HA TYR A 72 4.505 -0.558 -4.931 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.290 -1.270 -5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.763 -2.013 -6.272 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.157 -0.654 -7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.240 0.415 -7.204 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.077 0.735 -9.797 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.167 1.794 -9.235 1.00 0.00 H new ATOM 0 HH TYR A 72 5.163 2.493 -10.873 1.00 0.00 H new ATOM 1129 N LEU A 73 5.247 -1.446 -2.719 1.00 0.00 N ATOM 1130 CA LEU A 73 5.684 -1.993 -1.444 1.00 0.00 C ATOM 1131 C LEU A 73 5.507 -3.510 -1.422 1.00 0.00 C ATOM 1132 O LEU A 73 4.502 -4.040 -1.893 1.00 0.00 O ATOM 1133 CB LEU A 73 4.978 -1.280 -0.264 1.00 0.00 C ATOM 1134 CG LEU A 73 3.485 -1.538 -0.052 1.00 0.00 C ATOM 1135 CD1 LEU A 73 3.277 -2.866 0.624 1.00 0.00 C ATOM 1136 CD2 LEU A 73 2.878 -0.452 0.816 1.00 0.00 C ATOM 0 H LEU A 73 4.239 -1.467 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 73 6.750 -1.801 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.498 -1.559 0.653 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.115 -0.206 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 73 3.001 -1.540 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.210 -3.037 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.691 -3.660 0.002 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.779 -2.864 1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.816 -0.650 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.377 -0.440 1.785 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.005 0.515 0.330 1.00 0.00 H new ATOM 1148 N LYS A 74 6.511 -4.201 -0.914 1.00 0.00 N ATOM 1149 CA LYS A 74 6.479 -5.653 -0.807 1.00 0.00 C ATOM 1150 C LYS A 74 6.362 -6.023 0.669 1.00 0.00 C ATOM 1151 O LYS A 74 7.129 -5.526 1.495 1.00 0.00 O ATOM 1152 CB LYS A 74 7.751 -6.233 -1.449 1.00 0.00 C ATOM 1153 CG LYS A 74 7.812 -7.755 -1.515 1.00 0.00 C ATOM 1154 CD LYS A 74 8.353 -8.352 -0.228 1.00 0.00 C ATOM 1155 CE LYS A 74 8.502 -9.856 -0.327 1.00 0.00 C ATOM 1156 NZ LYS A 74 9.163 -10.415 0.880 1.00 0.00 N ATOM 0 H LYS A 74 7.370 -3.776 -0.564 1.00 0.00 H new ATOM 0 HA LYS A 74 5.623 -6.072 -1.335 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.840 -5.838 -2.461 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.616 -5.875 -0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.815 -8.151 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.443 -8.058 -2.350 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.320 -7.905 0.002 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.684 -8.106 0.597 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.520 -10.313 -0.451 1.00 0.00 H new ATOM 0 HE3 LYS A 74 9.085 -10.108 -1.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.641 -11.305 0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.863 -9.734 1.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.449 -10.597 1.614 1.00 0.00 H new ATOM 1170 N PRO A 75 5.399 -6.888 1.035 1.00 0.00 N ATOM 1171 CA PRO A 75 5.060 -7.113 2.437 1.00 0.00 C ATOM 1172 C PRO A 75 6.043 -8.007 3.178 1.00 0.00 C ATOM 1173 O PRO A 75 6.820 -8.754 2.576 1.00 0.00 O ATOM 1174 CB PRO A 75 3.689 -7.768 2.357 1.00 0.00 C ATOM 1175 CG PRO A 75 3.713 -8.523 1.078 1.00 0.00 C ATOM 1176 CD PRO A 75 4.578 -7.725 0.132 1.00 0.00 C ATOM 0 HA PRO A 75 5.084 -6.182 3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.515 -8.430 3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.892 -7.024 2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 75 4.118 -9.524 1.225 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.706 -8.642 0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.198 -8.373 -0.488 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.977 -7.116 -0.544 1.00 0.00 H new ATOM 1184 N ARG A 76 5.958 -7.929 4.505 1.00 0.00 N ATOM 1185 CA ARG A 76 6.902 -8.572 5.417 1.00 0.00 C ATOM 1186 C ARG A 76 6.828 -10.089 5.318 1.00 0.00 C ATOM 1187 O ARG A 76 7.694 -10.796 5.838 1.00 0.00 O ATOM 1188 CB ARG A 76 6.594 -8.136 6.849 1.00 0.00 C ATOM 1189 CG ARG A 76 6.391 -6.631 6.987 1.00 0.00 C ATOM 1190 CD ARG A 76 5.735 -6.261 8.309 1.00 0.00 C ATOM 1191 NE ARG A 76 6.623 -6.451 9.452 1.00 0.00 N ATOM 1192 CZ ARG A 76 6.220 -6.397 10.719 1.00 0.00 C ATOM 1193 NH1 ARG A 76 4.934 -6.219 11.003 1.00 0.00 N ATOM 1194 NH2 ARG A 76 7.100 -6.527 11.703 1.00 0.00 N ATOM 0 H ARG A 76 5.221 -7.410 4.983 1.00 0.00 H new ATOM 0 HA ARG A 76 7.910 -8.266 5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.697 -8.650 7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.410 -8.447 7.501 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.354 -6.127 6.907 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.774 -6.272 6.163 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.415 -5.220 8.272 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.838 -6.865 8.447 1.00 0.00 H new ATOM 0 HE ARG A 76 7.609 -6.636 9.269 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.254 -6.123 10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.627 -6.178 11.975 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.087 -6.669 11.489 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.789 -6.485 12.674 1.00 0.00 H new ATOM 1208 N ALA A 77 5.778 -10.581 4.676 1.00 0.00 N ATOM 1209 CA ALA A 77 5.633 -12.000 4.421 1.00 0.00 C ATOM 1210 C ALA A 77 6.650 -12.450 3.376 1.00 0.00 C ATOM 1211 O ALA A 77 6.377 -12.442 2.173 1.00 0.00 O ATOM 1212 CB ALA A 77 4.216 -12.312 3.971 1.00 0.00 C ATOM 0 H ALA A 77 5.011 -10.010 4.321 1.00 0.00 H new ATOM 0 HA ALA A 77 5.824 -12.549 5.343 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.121 -13.381 3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.513 -12.017 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.995 -11.762 3.056 1.00 0.00 H new ATOM 1218 N VAL A 78 7.831 -12.817 3.851 1.00 0.00 N ATOM 1219 CA VAL A 78 8.927 -13.227 2.981 1.00 0.00 C ATOM 1220 C VAL A 78 8.574 -14.482 2.185 1.00 0.00 C ATOM 1221 O VAL A 78 8.986 -14.632 1.033 1.00 0.00 O ATOM 1222 CB VAL A 78 10.229 -13.465 3.781 1.00 0.00 C ATOM 1223 CG1 VAL A 78 10.696 -12.173 4.431 1.00 0.00 C ATOM 1224 CG2 VAL A 78 10.037 -14.548 4.834 1.00 0.00 C ATOM 0 H VAL A 78 8.058 -12.840 4.845 1.00 0.00 H new ATOM 0 HA VAL A 78 9.093 -12.408 2.282 1.00 0.00 H new ATOM 0 HB VAL A 78 10.995 -13.804 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.613 -12.358 4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.885 -11.426 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 78 9.925 -11.808 5.109 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.969 -14.693 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.253 -14.246 5.528 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.752 -15.481 4.348 1.00 0.00 H new ATOM 1234 N LYS A 79 7.779 -15.358 2.792 1.00 0.00 N ATOM 1235 CA LYS A 79 7.401 -16.619 2.168 1.00 0.00 C ATOM 1236 C LYS A 79 6.460 -16.385 0.993 1.00 0.00 C ATOM 1237 O LYS A 79 6.421 -17.177 0.051 1.00 0.00 O ATOM 1238 CB LYS A 79 6.747 -17.544 3.200 1.00 0.00 C ATOM 1239 CG LYS A 79 6.343 -18.906 2.652 1.00 0.00 C ATOM 1240 CD LYS A 79 7.539 -19.673 2.112 1.00 0.00 C ATOM 1241 CE LYS A 79 7.130 -21.034 1.570 1.00 0.00 C ATOM 1242 NZ LYS A 79 8.278 -21.759 0.970 1.00 0.00 N ATOM 0 H LYS A 79 7.383 -15.215 3.721 1.00 0.00 H new ATOM 0 HA LYS A 79 8.304 -17.097 1.788 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.438 -17.690 4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.863 -17.051 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.864 -19.487 3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.607 -18.775 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.017 -19.094 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.277 -19.802 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.704 -21.632 2.375 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.349 -20.906 0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.957 -22.682 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.669 -21.200 0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.013 -21.904 1.692 1.00 0.00 H new ATOM 1256 N ASN A 80 5.706 -15.293 1.042 1.00 0.00 N ATOM 1257 CA ASN A 80 4.785 -14.964 -0.042 1.00 0.00 C ATOM 1258 C ASN A 80 5.551 -14.650 -1.320 1.00 0.00 C ATOM 1259 O ASN A 80 5.142 -15.041 -2.412 1.00 0.00 O ATOM 1260 CB ASN A 80 3.915 -13.761 0.315 1.00 0.00 C ATOM 1261 CG ASN A 80 2.834 -14.056 1.333 1.00 0.00 C ATOM 1262 OD1 ASN A 80 2.982 -14.919 2.198 1.00 0.00 O ATOM 1263 ND2 ASN A 80 1.737 -13.321 1.235 1.00 0.00 N ATOM 0 H ASN A 80 5.713 -14.625 1.813 1.00 0.00 H new ATOM 0 HA ASN A 80 4.147 -15.834 -0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.554 -12.966 0.700 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.448 -13.382 -0.594 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.970 -13.459 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 80 1.659 -12.617 0.501 1.00 0.00 H new ATOM 1270 N SER A 81 6.678 -13.954 -1.150 1.00 0.00 N ATOM 1271 CA SER A 81 7.605 -13.634 -2.235 1.00 0.00 C ATOM 1272 C SER A 81 6.973 -12.776 -3.343 1.00 0.00 C ATOM 1273 O SER A 81 7.181 -11.563 -3.385 1.00 0.00 O ATOM 1274 CB SER A 81 8.194 -14.918 -2.826 1.00 0.00 C ATOM 1275 OG SER A 81 8.903 -15.653 -1.840 1.00 0.00 O ATOM 0 H SER A 81 6.975 -13.593 -0.243 1.00 0.00 H new ATOM 0 HA SER A 81 8.401 -13.033 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.394 -15.533 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 81 8.862 -14.670 -3.650 1.00 0.00 H new ATOM 0 HG SER A 81 8.875 -15.169 -0.988 1.00 0.00 H new ATOM 1281 N SER A 82 6.180 -13.402 -4.205 1.00 0.00 N ATOM 1282 CA SER A 82 5.738 -12.785 -5.450 1.00 0.00 C ATOM 1283 C SER A 82 4.514 -11.881 -5.265 1.00 0.00 C ATOM 1284 O SER A 82 3.679 -11.777 -6.162 1.00 0.00 O ATOM 1285 CB SER A 82 5.425 -13.878 -6.471 1.00 0.00 C ATOM 1286 OG SER A 82 6.506 -14.792 -6.586 1.00 0.00 O ATOM 0 H SER A 82 5.826 -14.348 -4.061 1.00 0.00 H new ATOM 0 HA SER A 82 6.549 -12.149 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.523 -14.412 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.221 -13.426 -7.442 1.00 0.00 H new ATOM 0 HG SER A 82 6.282 -15.483 -7.244 1.00 0.00 H new ATOM 1292 N VAL A 83 4.411 -11.217 -4.123 1.00 0.00 N ATOM 1293 CA VAL A 83 3.328 -10.265 -3.906 1.00 0.00 C ATOM 1294 C VAL A 83 3.888 -8.871 -3.837 1.00 0.00 C ATOM 1295 O VAL A 83 4.855 -8.620 -3.113 1.00 0.00 O ATOM 1296 CB VAL A 83 2.559 -10.491 -2.595 1.00 0.00 C ATOM 1297 CG1 VAL A 83 1.064 -10.316 -2.801 1.00 0.00 C ATOM 1298 CG2 VAL A 83 2.875 -11.835 -2.008 1.00 0.00 C ATOM 0 H VAL A 83 5.056 -11.317 -3.339 1.00 0.00 H new ATOM 0 HA VAL A 83 2.643 -10.407 -4.742 1.00 0.00 H new ATOM 0 HB VAL A 83 2.885 -9.734 -1.881 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.545 -10.482 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.861 -9.305 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.712 -11.036 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 83 2.317 -11.968 -1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.595 -12.616 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.943 -11.899 -1.801 1.00 0.00 H new ATOM 1308 N GLN A 84 3.303 -7.970 -4.584 1.00 0.00 N ATOM 1309 CA GLN A 84 3.656 -6.582 -4.458 1.00 0.00 C ATOM 1310 C GLN A 84 2.398 -5.744 -4.302 1.00 0.00 C ATOM 1311 O GLN A 84 1.388 -5.994 -4.964 1.00 0.00 O ATOM 1312 CB GLN A 84 4.463 -6.073 -5.664 1.00 0.00 C ATOM 1313 CG GLN A 84 5.949 -6.424 -5.649 1.00 0.00 C ATOM 1314 CD GLN A 84 6.273 -7.750 -6.321 1.00 0.00 C ATOM 1315 OE1 GLN A 84 6.468 -7.810 -7.536 1.00 0.00 O ATOM 1316 NE2 GLN A 84 6.372 -8.810 -5.538 1.00 0.00 N ATOM 0 H GLN A 84 2.586 -8.171 -5.280 1.00 0.00 H new ATOM 0 HA GLN A 84 4.286 -6.487 -3.574 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.020 -6.478 -6.574 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.363 -4.989 -5.716 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.506 -5.630 -6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 84 6.295 -6.457 -4.616 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.203 -8.721 -4.536 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.617 -9.717 -5.936 1.00 0.00 H new ATOM 1325 N PHE A 85 2.459 -4.757 -3.430 1.00 0.00 N ATOM 1326 CA PHE A 85 1.370 -3.819 -3.278 1.00 0.00 C ATOM 1327 C PHE A 85 1.672 -2.571 -4.076 1.00 0.00 C ATOM 1328 O PHE A 85 2.679 -1.894 -3.858 1.00 0.00 O ATOM 1329 CB PHE A 85 1.137 -3.444 -1.820 1.00 0.00 C ATOM 1330 CG PHE A 85 0.471 -4.513 -0.996 1.00 0.00 C ATOM 1331 CD1 PHE A 85 1.217 -5.468 -0.323 1.00 0.00 C ATOM 1332 CD2 PHE A 85 -0.909 -4.547 -0.882 1.00 0.00 C ATOM 1333 CE1 PHE A 85 0.598 -6.434 0.446 1.00 0.00 C ATOM 1334 CE2 PHE A 85 -1.533 -5.510 -0.111 1.00 0.00 C ATOM 1335 CZ PHE A 85 -0.779 -6.456 0.553 1.00 0.00 C ATOM 0 H PHE A 85 3.255 -4.586 -2.815 1.00 0.00 H new ATOM 0 HA PHE A 85 0.463 -4.298 -3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 85 2.096 -3.197 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.526 -2.542 -1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.294 -5.457 -0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.505 -3.812 -1.402 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.191 -7.173 0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.610 -5.522 -0.028 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.264 -7.211 1.154 1.00 0.00 H new ATOM 1345 N HIS A 86 0.796 -2.284 -5.005 1.00 0.00 N ATOM 1346 CA HIS A 86 0.957 -1.157 -5.884 1.00 0.00 C ATOM 1347 C HIS A 86 0.256 0.041 -5.267 1.00 0.00 C ATOM 1348 O HIS A 86 -0.960 0.165 -5.355 1.00 0.00 O ATOM 1349 CB HIS A 86 0.333 -1.503 -7.233 1.00 0.00 C ATOM 1350 CG HIS A 86 0.974 -0.842 -8.404 1.00 0.00 C ATOM 1351 ND1 HIS A 86 1.373 -1.538 -9.519 1.00 0.00 N ATOM 1352 CD2 HIS A 86 1.259 0.453 -8.649 1.00 0.00 C ATOM 1353 CE1 HIS A 86 1.877 -0.700 -10.402 1.00 0.00 C ATOM 1354 NE2 HIS A 86 1.818 0.518 -9.896 1.00 0.00 N ATOM 0 H HIS A 86 -0.051 -2.828 -5.172 1.00 0.00 H new ATOM 0 HA HIS A 86 2.011 -0.919 -6.027 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.379 -2.583 -7.373 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -0.722 -1.229 -7.211 1.00 0.00 H new ATOM 0 HD1 HIS A 86 1.292 -2.547 -9.644 1.00 0.00 H new ATOM 0 HD2 HIS A 86 1.079 1.285 -7.984 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.271 -0.964 -11.372 1.00 0.00 H new ATOM 1363 N VAL A 87 1.011 0.923 -4.645 1.00 0.00 N ATOM 1364 CA VAL A 87 0.416 2.065 -3.983 1.00 0.00 C ATOM 1365 C VAL A 87 0.498 3.284 -4.874 1.00 0.00 C ATOM 1366 O VAL A 87 1.578 3.800 -5.148 1.00 0.00 O ATOM 1367 CB VAL A 87 1.094 2.361 -2.629 1.00 0.00 C ATOM 1368 CG1 VAL A 87 0.546 3.641 -2.012 1.00 0.00 C ATOM 1369 CG2 VAL A 87 0.906 1.194 -1.676 1.00 0.00 C ATOM 0 H VAL A 87 2.028 0.872 -4.584 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.629 1.823 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 87 2.160 2.500 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.041 3.826 -1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.731 4.478 -2.685 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.527 3.536 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.390 1.419 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.158 1.027 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.351 0.297 -2.107 1.00 0.00 H new ATOM 1379 N ILE A 88 -0.649 3.733 -5.332 1.00 0.00 N ATOM 1380 CA ILE A 88 -0.724 4.915 -6.158 1.00 0.00 C ATOM 1381 C ILE A 88 -1.127 6.098 -5.302 1.00 0.00 C ATOM 1382 O ILE A 88 -1.964 5.970 -4.412 1.00 0.00 O ATOM 1383 CB ILE A 88 -1.725 4.741 -7.324 1.00 0.00 C ATOM 1384 CG1 ILE A 88 -1.213 3.709 -8.327 1.00 0.00 C ATOM 1385 CG2 ILE A 88 -1.993 6.061 -8.027 1.00 0.00 C ATOM 1386 CD1 ILE A 88 -1.509 2.279 -7.934 1.00 0.00 C ATOM 0 H ILE A 88 -1.549 3.292 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 88 0.260 5.086 -6.596 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.663 4.385 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.661 3.909 -9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.136 3.829 -8.441 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.700 5.903 -8.841 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.411 6.773 -7.316 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.060 6.455 -8.429 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.116 1.604 -8.694 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.038 2.060 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.587 2.141 -7.849 1.00 0.00 H new ATOM 1398 N PHE A 89 -0.535 7.240 -5.570 1.00 0.00 N ATOM 1399 CA PHE A 89 -0.821 8.433 -4.817 1.00 0.00 C ATOM 1400 C PHE A 89 -1.768 9.324 -5.606 1.00 0.00 C ATOM 1401 O PHE A 89 -1.381 9.940 -6.599 1.00 0.00 O ATOM 1402 CB PHE A 89 0.473 9.161 -4.480 1.00 0.00 C ATOM 1403 CG PHE A 89 1.235 8.453 -3.411 1.00 0.00 C ATOM 1404 CD1 PHE A 89 0.786 8.489 -2.105 1.00 0.00 C ATOM 1405 CD2 PHE A 89 2.368 7.722 -3.710 1.00 0.00 C ATOM 1406 CE1 PHE A 89 1.456 7.813 -1.113 1.00 0.00 C ATOM 1407 CE2 PHE A 89 3.039 7.037 -2.722 1.00 0.00 C ATOM 1408 CZ PHE A 89 2.579 7.086 -1.421 1.00 0.00 C ATOM 0 H PHE A 89 0.154 7.365 -6.312 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.308 8.164 -3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.090 9.242 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.247 10.177 -4.155 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.101 9.054 -1.861 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.730 7.687 -4.727 1.00 0.00 H new ATOM 0 HE1 PHE A 89 1.100 7.854 -0.094 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.922 6.464 -2.964 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.104 6.551 -0.644 1.00 0.00 H new ATOM 1418 N ASP A 90 -3.015 9.365 -5.167 1.00 0.00 N ATOM 1419 CA ASP A 90 -4.062 10.087 -5.876 1.00 0.00 C ATOM 1420 C ASP A 90 -4.068 11.561 -5.519 1.00 0.00 C ATOM 1421 O ASP A 90 -3.936 11.935 -4.352 1.00 0.00 O ATOM 1422 CB ASP A 90 -5.433 9.483 -5.569 1.00 0.00 C ATOM 1423 CG ASP A 90 -5.761 8.304 -6.459 1.00 0.00 C ATOM 1424 OD1 ASP A 90 -5.402 7.166 -6.111 1.00 0.00 O ATOM 1425 OD2 ASP A 90 -6.387 8.515 -7.522 1.00 0.00 O ATOM 0 H ASP A 90 -3.330 8.902 -4.314 1.00 0.00 H new ATOM 0 HA ASP A 90 -3.853 9.993 -6.942 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -5.461 9.166 -4.527 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.199 10.249 -5.690 1.00 0.00 H new ATOM 1430 N GLU A 91 -4.217 12.400 -6.528 1.00 0.00 N ATOM 1431 CA GLU A 91 -4.321 13.829 -6.316 1.00 0.00 C ATOM 1432 C GLU A 91 -5.739 14.301 -6.600 1.00 0.00 C ATOM 1433 O GLU A 91 -6.299 14.027 -7.664 1.00 0.00 O ATOM 1434 CB GLU A 91 -3.303 14.584 -7.182 1.00 0.00 C ATOM 1435 CG GLU A 91 -3.231 14.103 -8.622 1.00 0.00 C ATOM 1436 CD GLU A 91 -2.246 14.902 -9.449 1.00 0.00 C ATOM 1437 OE1 GLU A 91 -1.043 14.568 -9.446 1.00 0.00 O ATOM 1438 OE2 GLU A 91 -2.674 15.877 -10.106 1.00 0.00 O ATOM 0 H GLU A 91 -4.269 12.113 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 91 -4.092 14.044 -5.272 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -3.555 15.645 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.316 14.489 -6.729 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.945 13.051 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.220 14.171 -9.075 1.00 0.00 H new ATOM 1445 N GLU A 92 -6.330 14.974 -5.625 1.00 0.00 N ATOM 1446 CA GLU A 92 -7.689 15.469 -5.756 1.00 0.00 C ATOM 1447 C GLU A 92 -7.705 16.984 -5.597 1.00 0.00 C ATOM 1448 O GLU A 92 -8.021 17.464 -4.491 1.00 0.00 O ATOM 1449 CB GLU A 92 -8.603 14.826 -4.705 1.00 0.00 C ATOM 1450 CG GLU A 92 -8.583 13.306 -4.715 1.00 0.00 C ATOM 1451 CD GLU A 92 -9.575 12.707 -3.741 1.00 0.00 C ATOM 1452 OE1 GLU A 92 -9.362 12.822 -2.518 1.00 0.00 O ATOM 1453 OE2 GLU A 92 -10.578 12.119 -4.192 1.00 0.00 O ATOM 1454 OXT GLU A 92 -7.378 17.693 -6.573 1.00 0.00 O ATOM 0 H GLU A 92 -5.887 15.190 -4.732 1.00 0.00 H new ATOM 0 HA GLU A 92 -8.060 15.205 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.306 15.177 -3.717 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.625 15.167 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.806 12.950 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -7.580 12.957 -4.468 1.00 0.00 H new TER 1461 GLU A 92