USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -155:sc= -0.0731 (180deg=-0.731) USER MOD Single : A 2 THR OG1 : rot -29:sc= -5.35! USER MOD Single : A 4 GLN : amide:sc= -3.51! C(o=-3.5!,f=-3.6!) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 9 SER OG : rot -18:sc= 0.83 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0555 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0753 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= -2.25! (180deg=-3.46!) USER MOD Single : A 34 ASN : amide:sc= -1.19! C(o=-1.2!,f=-6.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -13.4! C(o=-13!,f=-16!) USER MOD Single : A 52 ASN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0032 K(o=-0.0032,f=-1.4!) USER MOD Single : A 67 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) USER MOD Single : A 71 GLN : amide:sc= -2.08! C(o=-2.1!,f=-4.9!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -2.141 -12.982 0.372 1.00 0.00 N ATOM 2 CA VAL A 1 -1.116 -12.484 1.337 1.00 0.00 C ATOM 3 C VAL A 1 -1.765 -11.543 2.356 1.00 0.00 C ATOM 4 O VAL A 1 -1.927 -10.363 2.112 1.00 0.00 O ATOM 5 CB VAL A 1 -0.094 -11.732 0.483 1.00 0.00 C ATOM 6 CG1 VAL A 1 0.875 -10.979 1.394 1.00 0.00 C ATOM 7 CG2 VAL A 1 0.683 -12.732 -0.377 1.00 0.00 C ATOM 0 H1 VAL A 1 -1.832 -13.893 -0.023 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.049 -13.108 0.864 1.00 0.00 H new ATOM 0 H3 VAL A 1 -2.257 -12.292 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.653 -13.293 1.902 1.00 0.00 H new ATOM 0 HB VAL A 1 -0.610 -11.021 -0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.604 -10.443 0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 1 0.320 -10.268 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.393 -11.688 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.412 -12.198 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.200 -13.442 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -0.009 -13.269 -1.026 1.00 0.00 H new ATOM 19 N THR A 2 -2.137 -12.056 3.495 1.00 0.00 N ATOM 20 CA THR A 2 -2.777 -11.196 4.531 1.00 0.00 C ATOM 21 C THR A 2 -1.926 -11.172 5.803 1.00 0.00 C ATOM 22 O THR A 2 -1.060 -12.003 5.996 1.00 0.00 O ATOM 23 CB THR A 2 -4.128 -11.856 4.812 1.00 0.00 C ATOM 24 OG1 THR A 2 -4.932 -10.975 5.581 1.00 0.00 O ATOM 25 CG2 THR A 2 -3.912 -13.158 5.586 1.00 0.00 C ATOM 0 H THR A 2 -2.026 -13.036 3.755 1.00 0.00 H new ATOM 0 HA THR A 2 -2.883 -10.163 4.198 1.00 0.00 H new ATOM 0 HB THR A 2 -4.628 -12.076 3.869 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.357 -10.407 6.135 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.876 -13.627 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.295 -13.834 4.995 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.412 -12.941 6.530 1.00 0.00 H new ATOM 33 N VAL A 3 -2.169 -10.233 6.676 1.00 0.00 N ATOM 34 CA VAL A 3 -1.378 -10.169 7.938 1.00 0.00 C ATOM 35 C VAL A 3 -1.943 -11.169 8.948 1.00 0.00 C ATOM 36 O VAL A 3 -3.116 -11.147 9.265 1.00 0.00 O ATOM 37 CB VAL A 3 -1.549 -8.736 8.442 1.00 0.00 C ATOM 38 CG1 VAL A 3 -0.775 -8.559 9.750 1.00 0.00 C ATOM 39 CG2 VAL A 3 -1.008 -7.761 7.393 1.00 0.00 C ATOM 0 H VAL A 3 -2.879 -9.509 6.571 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.328 -10.419 7.789 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.606 -8.535 8.616 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -0.897 -7.537 10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.158 -9.254 10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.282 -8.759 9.577 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.129 -6.738 7.750 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.049 -7.962 7.220 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.559 -7.887 6.461 1.00 0.00 H new ATOM 49 N GLN A 4 -1.127 -12.055 9.449 1.00 0.00 N ATOM 50 CA GLN A 4 -1.638 -13.059 10.426 1.00 0.00 C ATOM 51 C GLN A 4 -1.019 -12.839 11.810 1.00 0.00 C ATOM 52 O GLN A 4 0.184 -12.880 11.980 1.00 0.00 O ATOM 53 CB GLN A 4 -1.214 -14.413 9.854 1.00 0.00 C ATOM 54 CG GLN A 4 -1.799 -15.538 10.709 1.00 0.00 C ATOM 55 CD GLN A 4 -1.321 -16.889 10.174 1.00 0.00 C ATOM 56 OE1 GLN A 4 -0.155 -17.217 10.275 1.00 0.00 O ATOM 57 NE2 GLN A 4 -2.177 -17.694 9.607 1.00 0.00 N ATOM 0 H GLN A 4 -0.134 -12.128 9.226 1.00 0.00 H new ATOM 0 HA GLN A 4 -2.718 -12.987 10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.559 -14.508 8.824 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.127 -14.486 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.491 -15.417 11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -2.888 -15.493 10.692 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -3.156 -17.420 9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -1.867 -18.598 9.249 1.00 0.00 H new ATOM 66 N ASP A 5 -1.839 -12.616 12.800 1.00 0.00 N ATOM 67 CA ASP A 5 -1.313 -12.405 14.180 1.00 0.00 C ATOM 68 C ASP A 5 -1.397 -13.715 14.969 1.00 0.00 C ATOM 69 O ASP A 5 -1.258 -13.739 16.176 1.00 0.00 O ATOM 70 CB ASP A 5 -2.227 -11.345 14.795 1.00 0.00 C ATOM 71 CG ASP A 5 -3.667 -11.864 14.811 1.00 0.00 C ATOM 72 OD1 ASP A 5 -3.856 -13.036 14.528 1.00 0.00 O ATOM 73 OD2 ASP A 5 -4.555 -11.081 15.104 1.00 0.00 O ATOM 0 H ASP A 5 -2.854 -12.571 12.713 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.270 -12.090 14.188 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.901 -11.112 15.809 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -2.168 -10.420 14.221 1.00 0.00 H new ATOM 78 N GLY A 6 -1.627 -14.802 14.286 1.00 0.00 N ATOM 79 CA GLY A 6 -1.727 -16.121 14.972 1.00 0.00 C ATOM 80 C GLY A 6 -2.159 -17.179 13.953 1.00 0.00 C ATOM 81 O GLY A 6 -1.621 -17.261 12.867 1.00 0.00 O ATOM 0 H GLY A 6 -1.751 -14.833 13.274 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -0.767 -16.391 15.411 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.447 -16.068 15.788 1.00 0.00 H new ATOM 85 N ASN A 7 -3.132 -17.982 14.287 1.00 0.00 N ATOM 86 CA ASN A 7 -3.600 -19.024 13.326 1.00 0.00 C ATOM 87 C ASN A 7 -4.778 -18.485 12.511 1.00 0.00 C ATOM 88 O ASN A 7 -5.511 -19.228 11.889 1.00 0.00 O ATOM 89 CB ASN A 7 -4.040 -20.199 14.199 1.00 0.00 C ATOM 90 CG ASN A 7 -2.847 -20.703 15.013 1.00 0.00 C ATOM 91 OD1 ASN A 7 -1.728 -20.698 14.540 1.00 0.00 O ATOM 92 ND2 ASN A 7 -3.040 -21.140 16.228 1.00 0.00 N ATOM 0 H ASN A 7 -3.623 -17.963 15.181 1.00 0.00 H new ATOM 0 HA ASN A 7 -2.826 -19.317 12.616 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.844 -19.889 14.866 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.434 -21.002 13.576 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.251 -21.477 16.780 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -3.979 -21.144 16.625 1.00 0.00 H new ATOM 99 N PHE A 8 -4.962 -17.194 12.515 1.00 0.00 N ATOM 100 CA PHE A 8 -6.091 -16.595 11.747 1.00 0.00 C ATOM 101 C PHE A 8 -5.563 -15.598 10.710 1.00 0.00 C ATOM 102 O PHE A 8 -4.808 -14.701 11.026 1.00 0.00 O ATOM 103 CB PHE A 8 -6.936 -15.872 12.797 1.00 0.00 C ATOM 104 CG PHE A 8 -7.297 -16.832 13.904 1.00 0.00 C ATOM 105 CD1 PHE A 8 -8.076 -17.962 13.626 1.00 0.00 C ATOM 106 CD2 PHE A 8 -6.853 -16.592 15.210 1.00 0.00 C ATOM 107 CE1 PHE A 8 -8.409 -18.852 14.654 1.00 0.00 C ATOM 108 CE2 PHE A 8 -7.187 -17.482 16.238 1.00 0.00 C ATOM 109 CZ PHE A 8 -7.965 -18.612 15.960 1.00 0.00 C ATOM 0 H PHE A 8 -4.378 -16.526 13.018 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.662 -17.346 11.201 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.383 -15.024 13.203 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.841 -15.473 12.339 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.420 -18.147 12.619 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.253 -15.720 15.425 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.009 -19.724 14.440 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -6.844 -17.297 17.245 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.223 -19.299 16.753 1.00 0.00 H new ATOM 119 N SER A 9 -5.963 -15.744 9.475 1.00 0.00 N ATOM 120 CA SER A 9 -5.491 -14.797 8.424 1.00 0.00 C ATOM 121 C SER A 9 -6.342 -13.525 8.458 1.00 0.00 C ATOM 122 O SER A 9 -7.541 -13.563 8.260 1.00 0.00 O ATOM 123 CB SER A 9 -5.683 -15.541 7.101 1.00 0.00 C ATOM 124 OG SER A 9 -7.033 -15.424 6.681 1.00 0.00 O ATOM 0 H SER A 9 -6.594 -16.476 9.149 1.00 0.00 H new ATOM 0 HA SER A 9 -4.453 -14.495 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.018 -15.130 6.341 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.419 -16.592 7.221 1.00 0.00 H new ATOM 0 HG SER A 9 -7.590 -15.157 7.442 1.00 0.00 H new ATOM 130 N PHE A 10 -5.736 -12.400 8.723 1.00 0.00 N ATOM 131 CA PHE A 10 -6.517 -11.131 8.787 1.00 0.00 C ATOM 132 C PHE A 10 -6.042 -10.145 7.715 1.00 0.00 C ATOM 133 O PHE A 10 -4.881 -9.788 7.656 1.00 0.00 O ATOM 134 CB PHE A 10 -6.240 -10.576 10.185 1.00 0.00 C ATOM 135 CG PHE A 10 -6.803 -11.516 11.227 1.00 0.00 C ATOM 136 CD1 PHE A 10 -7.989 -12.216 10.972 1.00 0.00 C ATOM 137 CD2 PHE A 10 -6.139 -11.684 12.447 1.00 0.00 C ATOM 138 CE1 PHE A 10 -8.510 -13.084 11.939 1.00 0.00 C ATOM 139 CE2 PHE A 10 -6.660 -12.553 13.414 1.00 0.00 C ATOM 140 CZ PHE A 10 -7.845 -13.253 13.160 1.00 0.00 C ATOM 0 H PHE A 10 -4.736 -12.304 8.898 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.580 -11.294 8.608 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.167 -10.455 10.333 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.690 -9.589 10.291 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.501 -12.086 10.030 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.225 -11.144 12.643 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.425 -13.623 11.743 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.147 -12.683 14.356 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.247 -13.923 13.905 1.00 0.00 H new ATOM 150 N SER A 11 -6.933 -9.699 6.869 1.00 0.00 N ATOM 151 CA SER A 11 -6.534 -8.732 5.804 1.00 0.00 C ATOM 152 C SER A 11 -6.154 -7.388 6.430 1.00 0.00 C ATOM 153 O SER A 11 -6.380 -7.152 7.600 1.00 0.00 O ATOM 154 CB SER A 11 -7.774 -8.584 4.921 1.00 0.00 C ATOM 155 OG SER A 11 -7.507 -7.653 3.881 1.00 0.00 O ATOM 0 H SER A 11 -7.919 -9.962 6.869 1.00 0.00 H new ATOM 0 HA SER A 11 -5.669 -9.073 5.236 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.049 -9.550 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.621 -8.245 5.518 1.00 0.00 H new ATOM 0 HG SER A 11 -8.301 -7.559 3.314 1.00 0.00 H new ATOM 161 N LEU A 12 -5.570 -6.507 5.663 1.00 0.00 N ATOM 162 CA LEU A 12 -5.167 -5.183 6.223 1.00 0.00 C ATOM 163 C LEU A 12 -6.242 -4.129 5.943 1.00 0.00 C ATOM 164 O LEU A 12 -6.099 -2.976 6.299 1.00 0.00 O ATOM 165 CB LEU A 12 -3.869 -4.824 5.494 1.00 0.00 C ATOM 166 CG LEU A 12 -2.819 -5.909 5.747 1.00 0.00 C ATOM 167 CD1 LEU A 12 -3.106 -7.118 4.854 1.00 0.00 C ATOM 168 CD2 LEU A 12 -1.430 -5.356 5.420 1.00 0.00 C ATOM 0 H LEU A 12 -5.355 -6.645 4.676 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.037 -5.221 7.305 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.056 -4.727 4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.500 -3.859 5.842 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.856 -6.213 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.358 -7.890 5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.096 -7.512 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.069 -6.815 3.808 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.680 -6.127 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.396 -5.053 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.223 -4.494 6.054 1.00 0.00 H new ATOM 180 N GLU A 13 -7.315 -4.509 5.304 1.00 0.00 N ATOM 181 CA GLU A 13 -8.389 -3.520 5.001 1.00 0.00 C ATOM 182 C GLU A 13 -9.164 -3.162 6.275 1.00 0.00 C ATOM 183 O GLU A 13 -9.015 -2.085 6.816 1.00 0.00 O ATOM 184 CB GLU A 13 -9.303 -4.220 3.993 1.00 0.00 C ATOM 185 CG GLU A 13 -10.379 -3.240 3.520 1.00 0.00 C ATOM 186 CD GLU A 13 -11.367 -3.964 2.603 1.00 0.00 C ATOM 187 OE1 GLU A 13 -11.213 -5.162 2.426 1.00 0.00 O ATOM 188 OE2 GLU A 13 -12.260 -3.308 2.093 1.00 0.00 O ATOM 0 H GLU A 13 -7.494 -5.459 4.979 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.987 -2.587 4.606 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.721 -4.577 3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -9.767 -5.094 4.451 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.904 -2.820 4.378 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.918 -2.407 2.989 1.00 0.00 H new ATOM 195 N SER A 14 -9.996 -4.048 6.753 1.00 0.00 N ATOM 196 CA SER A 14 -10.784 -3.744 7.986 1.00 0.00 C ATOM 197 C SER A 14 -9.902 -3.059 9.032 1.00 0.00 C ATOM 198 O SER A 14 -10.319 -2.130 9.694 1.00 0.00 O ATOM 199 CB SER A 14 -11.257 -5.100 8.505 1.00 0.00 C ATOM 200 OG SER A 14 -11.742 -5.883 7.423 1.00 0.00 O ATOM 0 H SER A 14 -10.165 -4.968 6.345 1.00 0.00 H new ATOM 0 HA SER A 14 -11.615 -3.070 7.778 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.436 -5.617 9.002 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.043 -4.962 9.248 1.00 0.00 H new ATOM 0 HG SER A 14 -12.043 -6.753 7.758 1.00 0.00 H new ATOM 206 N VAL A 15 -8.686 -3.508 9.190 1.00 0.00 N ATOM 207 CA VAL A 15 -7.793 -2.872 10.200 1.00 0.00 C ATOM 208 C VAL A 15 -7.415 -1.463 9.743 1.00 0.00 C ATOM 209 O VAL A 15 -7.558 -0.507 10.478 1.00 0.00 O ATOM 210 CB VAL A 15 -6.563 -3.774 10.273 1.00 0.00 C ATOM 211 CG1 VAL A 15 -5.431 -3.037 10.991 1.00 0.00 C ATOM 212 CG2 VAL A 15 -6.919 -5.044 11.049 1.00 0.00 C ATOM 0 H VAL A 15 -8.275 -4.282 8.668 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.269 -2.772 11.175 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.240 -4.037 9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.553 -3.681 11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.183 -2.129 10.442 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.750 -2.776 12.000 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.045 -5.693 11.105 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.238 -4.777 12.056 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.728 -5.567 10.539 1.00 0.00 H new ATOM 222 N LYS A 16 -6.948 -1.322 8.534 1.00 0.00 N ATOM 223 CA LYS A 16 -6.583 0.034 8.041 1.00 0.00 C ATOM 224 C LYS A 16 -7.724 1.004 8.353 1.00 0.00 C ATOM 225 O LYS A 16 -7.514 2.085 8.867 1.00 0.00 O ATOM 226 CB LYS A 16 -6.399 -0.125 6.534 1.00 0.00 C ATOM 227 CG LYS A 16 -5.929 1.201 5.933 1.00 0.00 C ATOM 228 CD LYS A 16 -5.699 1.022 4.432 1.00 0.00 C ATOM 229 CE LYS A 16 -7.039 0.757 3.742 1.00 0.00 C ATOM 230 NZ LYS A 16 -7.354 2.023 3.024 1.00 0.00 N ATOM 0 H LYS A 16 -6.804 -2.082 7.870 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.681 0.429 8.509 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.670 -0.909 6.327 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.338 -0.433 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.674 1.977 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.009 1.527 6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.233 1.915 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.015 0.192 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.969 -0.083 3.051 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.815 0.509 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.261 1.922 2.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.421 2.803 3.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.601 2.229 2.337 1.00 0.00 H new ATOM 244 N LYS A 17 -8.938 0.613 8.067 1.00 0.00 N ATOM 245 CA LYS A 17 -10.095 1.499 8.370 1.00 0.00 C ATOM 246 C LYS A 17 -10.345 1.493 9.878 1.00 0.00 C ATOM 247 O LYS A 17 -10.380 2.525 10.516 1.00 0.00 O ATOM 248 CB LYS A 17 -11.283 0.884 7.626 1.00 0.00 C ATOM 249 CG LYS A 17 -11.024 0.937 6.120 1.00 0.00 C ATOM 250 CD LYS A 17 -12.248 0.401 5.374 1.00 0.00 C ATOM 251 CE LYS A 17 -11.916 0.261 3.888 1.00 0.00 C ATOM 252 NZ LYS A 17 -12.166 1.613 3.312 1.00 0.00 N ATOM 0 H LYS A 17 -9.176 -0.281 7.637 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.928 2.532 8.064 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.430 -0.148 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.197 1.426 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.816 1.962 5.812 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.144 0.344 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.544 -0.565 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.093 1.076 5.507 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.880 -0.046 3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.542 -0.494 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.960 1.599 2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.161 1.875 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.551 2.309 3.780 1.00 0.00 H new ATOM 266 N LEU A 18 -10.523 0.325 10.444 1.00 0.00 N ATOM 267 CA LEU A 18 -10.774 0.216 11.913 1.00 0.00 C ATOM 268 C LEU A 18 -10.130 1.392 12.658 1.00 0.00 C ATOM 269 O LEU A 18 -10.711 1.957 13.563 1.00 0.00 O ATOM 270 CB LEU A 18 -10.133 -1.123 12.310 1.00 0.00 C ATOM 271 CG LEU A 18 -9.445 -1.006 13.676 1.00 0.00 C ATOM 272 CD1 LEU A 18 -10.505 -1.007 14.779 1.00 0.00 C ATOM 273 CD2 LEU A 18 -8.505 -2.196 13.880 1.00 0.00 C ATOM 0 H LEU A 18 -10.505 -0.565 9.946 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.834 0.249 12.165 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.895 -1.901 12.346 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.406 -1.423 11.555 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.873 -0.079 13.715 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.019 -0.924 15.751 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.179 -0.162 14.637 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.074 -1.936 14.736 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.017 -2.112 14.851 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.077 -3.123 13.841 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.750 -2.202 13.094 1.00 0.00 H new ATOM 285 N LYS A 19 -8.938 1.767 12.282 1.00 0.00 N ATOM 286 CA LYS A 19 -8.270 2.910 12.972 1.00 0.00 C ATOM 287 C LYS A 19 -9.206 4.122 13.001 1.00 0.00 C ATOM 288 O LYS A 19 -9.364 4.772 14.015 1.00 0.00 O ATOM 289 CB LYS A 19 -7.030 3.212 12.131 1.00 0.00 C ATOM 290 CG LYS A 19 -5.995 2.101 12.325 1.00 0.00 C ATOM 291 CD LYS A 19 -4.692 2.490 11.623 1.00 0.00 C ATOM 292 CE LYS A 19 -3.651 1.387 11.832 1.00 0.00 C ATOM 293 NZ LYS A 19 -2.597 2.014 12.678 1.00 0.00 N ATOM 0 H LYS A 19 -8.399 1.335 11.531 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.013 2.678 14.005 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.302 3.290 11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.606 4.173 12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.814 1.939 13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.373 1.162 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.871 2.639 10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.321 3.435 12.019 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.088 0.518 12.324 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.243 1.043 10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.693 1.523 12.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.495 3.016 12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.867 1.941 13.680 1.00 0.00 H new ATOM 307 N ASP A 20 -9.829 4.426 11.895 1.00 0.00 N ATOM 308 CA ASP A 20 -10.760 5.589 11.855 1.00 0.00 C ATOM 309 C ASP A 20 -12.198 5.104 11.650 1.00 0.00 C ATOM 310 O ASP A 20 -13.130 5.882 11.645 1.00 0.00 O ATOM 311 CB ASP A 20 -10.301 6.426 10.658 1.00 0.00 C ATOM 312 CG ASP A 20 -10.394 5.587 9.381 1.00 0.00 C ATOM 313 OD1 ASP A 20 -10.967 4.513 9.442 1.00 0.00 O ATOM 314 OD2 ASP A 20 -9.891 6.035 8.363 1.00 0.00 O ATOM 0 H ASP A 20 -9.733 3.918 11.016 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.745 6.163 12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.921 7.318 10.566 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.276 6.764 10.809 1.00 0.00 H new ATOM 319 N LEU A 21 -12.381 3.822 11.483 1.00 0.00 N ATOM 320 CA LEU A 21 -13.756 3.275 11.277 1.00 0.00 C ATOM 321 C LEU A 21 -14.519 4.118 10.252 1.00 0.00 C ATOM 322 O LEU A 21 -14.975 5.206 10.540 1.00 0.00 O ATOM 323 CB LEU A 21 -14.433 3.356 12.644 1.00 0.00 C ATOM 324 CG LEU A 21 -15.552 2.312 12.727 1.00 0.00 C ATOM 325 CD1 LEU A 21 -16.267 2.205 11.378 1.00 0.00 C ATOM 326 CD2 LEU A 21 -14.952 0.952 13.091 1.00 0.00 C ATOM 0 H LEU A 21 -11.635 3.126 11.480 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.734 2.254 10.895 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -13.702 3.184 13.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.841 4.355 12.800 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.269 2.615 13.490 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.061 1.461 11.445 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.697 3.172 11.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.553 1.906 10.611 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -15.746 0.208 13.151 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.233 0.655 12.327 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.448 1.023 14.055 1.00 0.00 H new ATOM 518 N ARG A 33 -3.166 0.309 0.521 1.00 0.00 N ATOM 519 CA ARG A 33 -3.767 0.313 1.886 1.00 0.00 C ATOM 520 C ARG A 33 -2.703 0.669 2.928 1.00 0.00 C ATOM 521 O ARG A 33 -2.489 -0.051 3.884 1.00 0.00 O ATOM 522 CB ARG A 33 -4.279 -1.114 2.101 1.00 0.00 C ATOM 523 CG ARG A 33 -3.105 -2.094 2.050 1.00 0.00 C ATOM 524 CD ARG A 33 -3.632 -3.526 2.159 1.00 0.00 C ATOM 525 NE ARG A 33 -4.214 -3.820 0.819 1.00 0.00 N ATOM 526 CZ ARG A 33 -4.012 -4.983 0.260 1.00 0.00 C ATOM 527 NH1 ARG A 33 -3.100 -5.111 -0.665 1.00 0.00 N ATOM 528 NH2 ARG A 33 -4.721 -6.016 0.626 1.00 0.00 N ATOM 0 HA ARG A 33 -4.566 1.048 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.786 -1.188 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.011 -1.368 1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.552 -1.968 1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.410 -1.888 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.832 -4.224 2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.383 -3.613 2.944 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.770 -3.113 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.546 -4.303 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.941 -6.019 -1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.433 -5.915 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.563 -6.924 0.189 1.00 0.00 H new ATOM 542 N ASN A 34 -2.034 1.776 2.750 1.00 0.00 N ATOM 543 CA ASN A 34 -0.983 2.180 3.727 1.00 0.00 C ATOM 544 C ASN A 34 -1.256 3.596 4.242 1.00 0.00 C ATOM 545 O ASN A 34 -0.498 4.140 5.020 1.00 0.00 O ATOM 546 CB ASN A 34 0.327 2.141 2.939 1.00 0.00 C ATOM 547 CG ASN A 34 0.371 3.322 1.968 1.00 0.00 C ATOM 548 OD1 ASN A 34 -0.624 3.984 1.752 1.00 0.00 O ATOM 549 ND2 ASN A 34 1.492 3.614 1.366 1.00 0.00 N ATOM 0 H ASN A 34 -2.170 2.418 1.970 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.955 1.525 4.597 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.176 2.185 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.407 1.202 2.391 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.532 4.398 0.715 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.328 3.058 1.547 1.00 0.00 H new ATOM 619 N PRO A 39 0.250 2.425 14.674 1.00 0.00 N ATOM 620 CA PRO A 39 -0.226 1.693 15.871 1.00 0.00 C ATOM 621 C PRO A 39 -0.056 2.548 17.130 1.00 0.00 C ATOM 622 O PRO A 39 0.771 3.437 17.181 1.00 0.00 O ATOM 623 CB PRO A 39 0.698 0.472 15.905 1.00 0.00 C ATOM 624 CG PRO A 39 1.675 0.555 14.716 1.00 0.00 C ATOM 625 CD PRO A 39 1.377 1.832 13.918 1.00 0.00 C ATOM 0 HA PRO A 39 -1.284 1.432 15.834 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.249 0.442 16.845 1.00 0.00 H new ATOM 0 HB3 PRO A 39 0.113 -0.446 15.849 1.00 0.00 H new ATOM 0 HG2 PRO A 39 2.705 0.565 15.074 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.568 -0.322 14.078 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.238 2.499 13.883 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.103 1.611 12.886 1.00 0.00 H new ATOM 633 N GLY A 40 -0.831 2.285 18.148 1.00 0.00 N ATOM 634 CA GLY A 40 -0.706 3.083 19.400 1.00 0.00 C ATOM 635 C GLY A 40 -2.092 3.353 19.995 1.00 0.00 C ATOM 636 O GLY A 40 -2.226 4.062 20.971 1.00 0.00 O ATOM 0 H GLY A 40 -1.543 1.554 18.166 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.090 2.547 20.122 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.202 4.026 19.190 1.00 0.00 H new ATOM 640 N GLU A 41 -3.127 2.798 19.422 1.00 0.00 N ATOM 641 CA GLU A 41 -4.494 3.036 19.972 1.00 0.00 C ATOM 642 C GLU A 41 -5.278 1.722 20.056 1.00 0.00 C ATOM 643 O GLU A 41 -6.318 1.581 19.443 1.00 0.00 O ATOM 644 CB GLU A 41 -5.158 3.993 18.982 1.00 0.00 C ATOM 645 CG GLU A 41 -5.875 5.104 19.752 1.00 0.00 C ATOM 646 CD GLU A 41 -7.301 5.256 19.220 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.450 5.436 18.022 1.00 0.00 O ATOM 648 OE2 GLU A 41 -8.220 5.189 20.019 1.00 0.00 O ATOM 0 H GLU A 41 -3.086 2.193 18.601 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.462 3.446 20.981 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.409 4.422 18.316 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.868 3.452 18.357 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.896 4.868 20.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.333 6.044 19.644 1.00 0.00 H new ATOM 655 N PRO A 42 -4.753 0.800 20.821 1.00 0.00 N ATOM 656 CA PRO A 42 -5.412 -0.516 20.997 1.00 0.00 C ATOM 657 C PRO A 42 -6.791 -0.344 21.644 1.00 0.00 C ATOM 658 O PRO A 42 -6.969 0.449 22.548 1.00 0.00 O ATOM 659 CB PRO A 42 -4.450 -1.250 21.937 1.00 0.00 C ATOM 660 CG PRO A 42 -3.267 -0.316 22.262 1.00 0.00 C ATOM 661 CD PRO A 42 -3.480 1.024 21.545 1.00 0.00 C ATOM 0 HA PRO A 42 -5.588 -1.047 20.062 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.965 -1.540 22.853 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.090 -2.166 21.469 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.194 -0.160 23.338 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.329 -0.770 21.942 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.553 1.854 22.248 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.661 1.255 20.864 1.00 0.00 H new ATOM 669 N VAL A 43 -7.769 -1.081 21.190 1.00 0.00 N ATOM 670 CA VAL A 43 -9.135 -0.955 21.780 1.00 0.00 C ATOM 671 C VAL A 43 -9.804 -2.329 21.871 1.00 0.00 C ATOM 672 O VAL A 43 -10.010 -2.995 20.877 1.00 0.00 O ATOM 673 CB VAL A 43 -9.902 -0.054 20.812 1.00 0.00 C ATOM 674 CG1 VAL A 43 -9.368 1.375 20.912 1.00 0.00 C ATOM 675 CG2 VAL A 43 -9.719 -0.568 19.382 1.00 0.00 C ATOM 0 H VAL A 43 -7.682 -1.764 20.437 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.110 -0.546 22.790 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.961 -0.064 21.069 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.915 2.017 20.222 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.499 1.742 21.930 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.309 1.386 20.656 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.266 0.074 18.692 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.660 -0.559 19.125 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -10.101 -1.586 19.310 1.00 0.00 H new ATOM 685 N VAL A 44 -10.150 -2.759 23.055 1.00 0.00 N ATOM 686 CA VAL A 44 -10.808 -4.091 23.198 1.00 0.00 C ATOM 687 C VAL A 44 -11.833 -4.063 24.337 1.00 0.00 C ATOM 688 O VAL A 44 -11.689 -4.768 25.316 1.00 0.00 O ATOM 689 CB VAL A 44 -9.679 -5.067 23.528 1.00 0.00 C ATOM 690 CG1 VAL A 44 -10.278 -6.435 23.854 1.00 0.00 C ATOM 691 CG2 VAL A 44 -8.738 -5.201 22.328 1.00 0.00 C ATOM 0 H VAL A 44 -10.006 -2.248 23.926 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.344 -4.376 22.293 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.118 -4.693 24.384 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.477 -7.136 24.090 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.946 -6.345 24.711 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.838 -6.801 22.994 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -7.936 -5.898 22.571 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.295 -5.574 21.469 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.312 -4.227 22.089 1.00 0.00 H new ATOM 753 N CYS A 48 -15.661 -5.318 21.566 1.00 0.00 N ATOM 754 CA CYS A 48 -14.895 -4.628 20.486 1.00 0.00 C ATOM 755 C CYS A 48 -15.262 -3.142 20.446 1.00 0.00 C ATOM 756 O CYS A 48 -16.419 -2.775 20.486 1.00 0.00 O ATOM 757 CB CYS A 48 -15.320 -5.325 19.193 1.00 0.00 C ATOM 758 SG CYS A 48 -13.953 -6.340 18.579 1.00 0.00 S ATOM 0 HA CYS A 48 -13.817 -4.683 20.641 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -16.197 -5.947 19.374 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.603 -4.585 18.444 1.00 0.00 H new ATOM 763 N SER A 49 -14.285 -2.282 20.371 1.00 0.00 N ATOM 764 CA SER A 49 -14.582 -0.820 20.333 1.00 0.00 C ATOM 765 C SER A 49 -15.240 -0.443 19.005 1.00 0.00 C ATOM 766 O SER A 49 -16.314 0.123 18.970 1.00 0.00 O ATOM 767 CB SER A 49 -13.223 -0.136 20.471 1.00 0.00 C ATOM 768 OG SER A 49 -13.409 1.264 20.619 1.00 0.00 O ATOM 0 H SER A 49 -13.295 -2.526 20.334 1.00 0.00 H new ATOM 0 HA SER A 49 -15.272 -0.521 21.122 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.689 -0.536 21.333 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.610 -0.341 19.593 1.00 0.00 H new ATOM 0 HG SER A 49 -12.537 1.702 20.709 1.00 0.00 H new ATOM 774 N ASN A 50 -14.597 -0.748 17.916 1.00 0.00 N ATOM 775 CA ASN A 50 -15.170 -0.406 16.582 1.00 0.00 C ATOM 776 C ASN A 50 -16.264 -1.410 16.195 1.00 0.00 C ATOM 777 O ASN A 50 -15.982 -2.570 15.964 1.00 0.00 O ATOM 778 CB ASN A 50 -13.988 -0.499 15.619 1.00 0.00 C ATOM 779 CG ASN A 50 -13.217 0.823 15.634 1.00 0.00 C ATOM 780 OD1 ASN A 50 -12.024 0.841 15.862 1.00 0.00 O ATOM 781 ND2 ASN A 50 -13.853 1.938 15.400 1.00 0.00 N ATOM 0 H ASN A 50 -13.694 -1.222 17.889 1.00 0.00 H new ATOM 0 HA ASN A 50 -15.635 0.580 16.570 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -13.331 -1.319 15.909 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -14.342 -0.715 14.611 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.348 2.824 15.409 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -14.855 1.923 15.208 1.00 0.00 H new ATOM 788 N PRO A 51 -17.482 -0.931 16.134 1.00 0.00 N ATOM 789 CA PRO A 51 -18.629 -1.797 15.773 1.00 0.00 C ATOM 790 C PRO A 51 -18.460 -2.345 14.352 1.00 0.00 C ATOM 791 O PRO A 51 -19.157 -3.250 13.937 1.00 0.00 O ATOM 792 CB PRO A 51 -19.818 -0.836 15.853 1.00 0.00 C ATOM 793 CG PRO A 51 -19.300 0.558 16.264 1.00 0.00 C ATOM 794 CD PRO A 51 -17.776 0.493 16.422 1.00 0.00 C ATOM 0 HA PRO A 51 -18.739 -2.669 16.417 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -20.326 -0.782 14.890 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -20.548 -1.197 16.578 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.570 1.298 15.511 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -19.763 0.872 17.199 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.267 1.161 15.727 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.460 0.777 17.426 1.00 0.00 H new ATOM 802 N ASN A 52 -17.538 -1.804 13.606 1.00 0.00 N ATOM 803 CA ASN A 52 -17.322 -2.294 12.215 1.00 0.00 C ATOM 804 C ASN A 52 -15.845 -2.634 12.002 1.00 0.00 C ATOM 805 O ASN A 52 -15.298 -2.431 10.936 1.00 0.00 O ATOM 806 CB ASN A 52 -17.742 -1.133 11.315 1.00 0.00 C ATOM 807 CG ASN A 52 -19.147 -1.395 10.766 1.00 0.00 C ATOM 808 OD1 ASN A 52 -19.448 -1.042 9.643 1.00 0.00 O ATOM 809 ND2 ASN A 52 -20.026 -2.002 11.516 1.00 0.00 N ATOM 0 H ASN A 52 -16.924 -1.044 13.899 1.00 0.00 H new ATOM 0 HA ASN A 52 -17.891 -3.199 12.001 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -17.728 -0.199 11.877 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.034 -1.021 10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -20.965 -2.180 11.159 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -19.774 -2.299 12.459 1.00 0.00 H new ATOM 816 N PHE A 53 -15.200 -3.161 13.006 1.00 0.00 N ATOM 817 CA PHE A 53 -13.763 -3.527 12.860 1.00 0.00 C ATOM 818 C PHE A 53 -13.657 -4.870 12.136 1.00 0.00 C ATOM 819 O PHE A 53 -14.663 -5.467 11.809 1.00 0.00 O ATOM 820 CB PHE A 53 -13.230 -3.626 14.296 1.00 0.00 C ATOM 821 CG PHE A 53 -13.448 -5.024 14.836 1.00 0.00 C ATOM 822 CD1 PHE A 53 -14.741 -5.455 15.154 1.00 0.00 C ATOM 823 CD2 PHE A 53 -12.356 -5.886 15.023 1.00 0.00 C ATOM 824 CE1 PHE A 53 -14.946 -6.746 15.656 1.00 0.00 C ATOM 825 CE2 PHE A 53 -12.563 -7.180 15.527 1.00 0.00 C ATOM 826 CZ PHE A 53 -13.857 -7.608 15.843 1.00 0.00 C ATOM 0 H PHE A 53 -15.606 -3.354 13.922 1.00 0.00 H new ATOM 0 HA PHE A 53 -13.194 -2.803 12.278 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.168 -3.381 14.316 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.736 -2.899 14.931 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -15.581 -4.791 15.012 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -11.358 -5.554 14.779 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.945 -7.078 15.899 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -11.724 -7.845 15.671 1.00 0.00 H new ATOM 0 HZ PHE A 53 -14.017 -8.603 16.231 1.00 0.00 H new ATOM 836 N PRO A 54 -12.448 -5.312 11.914 1.00 0.00 N ATOM 837 CA PRO A 54 -12.234 -6.607 11.236 1.00 0.00 C ATOM 838 C PRO A 54 -12.952 -7.719 12.001 1.00 0.00 C ATOM 839 O PRO A 54 -12.343 -8.497 12.705 1.00 0.00 O ATOM 840 CB PRO A 54 -10.712 -6.766 11.291 1.00 0.00 C ATOM 841 CG PRO A 54 -10.110 -5.529 11.985 1.00 0.00 C ATOM 842 CD PRO A 54 -11.244 -4.557 12.332 1.00 0.00 C ATOM 0 HA PRO A 54 -12.622 -6.653 10.218 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.446 -7.672 11.836 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.306 -6.869 10.285 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.577 -5.825 12.888 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.385 -5.045 11.331 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.263 -4.318 13.395 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.149 -3.613 11.795 1.00 0.00 H new ATOM 850 N GLU A 55 -14.251 -7.789 11.875 1.00 0.00 N ATOM 851 CA GLU A 55 -15.018 -8.840 12.600 1.00 0.00 C ATOM 852 C GLU A 55 -14.300 -10.186 12.498 1.00 0.00 C ATOM 853 O GLU A 55 -14.311 -10.975 13.422 1.00 0.00 O ATOM 854 CB GLU A 55 -16.378 -8.885 11.909 1.00 0.00 C ATOM 855 CG GLU A 55 -17.299 -9.848 12.661 1.00 0.00 C ATOM 856 CD GLU A 55 -18.642 -9.946 11.934 1.00 0.00 C ATOM 857 OE1 GLU A 55 -18.777 -9.323 10.895 1.00 0.00 O ATOM 858 OE2 GLU A 55 -19.511 -10.643 12.430 1.00 0.00 O ATOM 0 H GLU A 55 -14.813 -7.162 11.300 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.117 -8.624 13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.818 -7.888 11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -16.262 -9.208 10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.837 -10.833 12.727 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -17.451 -9.499 13.682 1.00 0.00 H new ATOM 865 N GLU A 56 -13.651 -10.452 11.395 1.00 0.00 N ATOM 866 CA GLU A 56 -12.916 -11.742 11.272 1.00 0.00 C ATOM 867 C GLU A 56 -11.956 -11.873 12.458 1.00 0.00 C ATOM 868 O GLU A 56 -11.499 -12.947 12.800 1.00 0.00 O ATOM 869 CB GLU A 56 -12.146 -11.638 9.955 1.00 0.00 C ATOM 870 CG GLU A 56 -13.136 -11.537 8.792 1.00 0.00 C ATOM 871 CD GLU A 56 -13.996 -12.802 8.741 1.00 0.00 C ATOM 872 OE1 GLU A 56 -13.620 -13.776 9.372 1.00 0.00 O ATOM 873 OE2 GLU A 56 -15.015 -12.775 8.071 1.00 0.00 O ATOM 0 H GLU A 56 -13.599 -9.838 10.582 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.571 -12.614 11.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.495 -10.764 9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.505 -12.510 9.826 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.770 -10.659 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.598 -11.412 7.852 1.00 0.00 H new ATOM 880 N LEU A 57 -11.670 -10.769 13.093 1.00 0.00 N ATOM 881 CA LEU A 57 -10.763 -10.778 14.275 1.00 0.00 C ATOM 882 C LEU A 57 -11.605 -10.854 15.547 1.00 0.00 C ATOM 883 O LEU A 57 -11.158 -10.549 16.638 1.00 0.00 O ATOM 884 CB LEU A 57 -10.008 -9.455 14.196 1.00 0.00 C ATOM 885 CG LEU A 57 -8.966 -9.547 13.083 1.00 0.00 C ATOM 886 CD1 LEU A 57 -9.667 -9.745 11.736 1.00 0.00 C ATOM 887 CD2 LEU A 57 -8.138 -8.262 13.049 1.00 0.00 C ATOM 0 H LEU A 57 -12.031 -9.850 12.839 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.078 -11.626 14.288 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.700 -8.637 13.998 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.524 -9.239 15.149 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.308 -10.395 13.273 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -8.921 -9.810 10.944 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.251 -10.665 11.761 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.329 -8.901 11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.395 -8.329 12.254 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.794 -7.412 12.862 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.634 -8.128 14.006 1.00 0.00 H new ATOM 899 N LYS A 58 -12.830 -11.269 15.395 1.00 0.00 N ATOM 900 CA LYS A 58 -13.744 -11.388 16.564 1.00 0.00 C ATOM 901 C LYS A 58 -13.015 -12.018 17.753 1.00 0.00 C ATOM 902 O LYS A 58 -13.044 -11.481 18.843 1.00 0.00 O ATOM 903 CB LYS A 58 -14.881 -12.291 16.089 1.00 0.00 C ATOM 904 CG LYS A 58 -16.222 -11.645 16.442 1.00 0.00 C ATOM 905 CD LYS A 58 -16.974 -12.541 17.425 1.00 0.00 C ATOM 906 CE LYS A 58 -17.945 -11.692 18.248 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.141 -11.201 19.402 1.00 0.00 N ATOM 0 H LYS A 58 -13.242 -11.534 14.500 1.00 0.00 H new ATOM 0 HA LYS A 58 -14.108 -10.417 16.900 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -14.812 -12.446 15.012 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.802 -13.272 16.558 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -16.060 -10.661 16.881 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -16.816 -11.497 15.540 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -17.519 -13.315 16.885 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -16.269 -13.048 18.084 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.341 -10.863 17.661 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -18.799 -12.281 18.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.738 -10.610 20.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -16.783 -12.012 19.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.340 -10.638 19.052 1.00 0.00 H new ATOM 921 N PRO A 59 -12.377 -13.138 17.515 1.00 0.00 N ATOM 922 CA PRO A 59 -11.637 -13.823 18.595 1.00 0.00 C ATOM 923 C PRO A 59 -10.629 -12.859 19.219 1.00 0.00 C ATOM 924 O PRO A 59 -10.561 -12.714 20.423 1.00 0.00 O ATOM 925 CB PRO A 59 -10.949 -14.976 17.859 1.00 0.00 C ATOM 926 CG PRO A 59 -11.341 -14.911 16.369 1.00 0.00 C ATOM 927 CD PRO A 59 -12.351 -13.771 16.174 1.00 0.00 C ATOM 0 HA PRO A 59 -12.260 -14.173 19.418 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -9.867 -14.903 17.969 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.250 -15.932 18.288 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.458 -14.742 15.753 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.775 -15.859 16.051 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -12.031 -13.072 15.401 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -13.333 -14.143 15.881 1.00 0.00 H new ATOM 935 N LEU A 60 -9.848 -12.190 18.414 1.00 0.00 N ATOM 936 CA LEU A 60 -8.861 -11.232 18.977 1.00 0.00 C ATOM 937 C LEU A 60 -9.544 -10.331 20.004 1.00 0.00 C ATOM 938 O LEU A 60 -9.068 -10.154 21.107 1.00 0.00 O ATOM 939 CB LEU A 60 -8.383 -10.414 17.778 1.00 0.00 C ATOM 940 CG LEU A 60 -7.324 -9.412 18.234 1.00 0.00 C ATOM 941 CD1 LEU A 60 -6.048 -9.606 17.412 1.00 0.00 C ATOM 942 CD2 LEU A 60 -7.851 -7.991 18.029 1.00 0.00 C ATOM 0 H LEU A 60 -9.852 -12.266 17.397 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.035 -11.729 19.485 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.970 -11.074 17.015 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.224 -9.889 17.324 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.102 -9.571 19.289 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.293 -8.891 17.738 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.673 -10.620 17.555 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.267 -9.446 16.356 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.098 -7.273 18.353 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.071 -7.833 16.973 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.760 -7.852 18.614 1.00 0.00 H new ATOM 954 N CYS A 61 -10.665 -9.763 19.652 1.00 0.00 N ATOM 955 CA CYS A 61 -11.380 -8.874 20.611 1.00 0.00 C ATOM 956 C CYS A 61 -11.832 -9.668 21.842 1.00 0.00 C ATOM 957 O CYS A 61 -12.041 -9.115 22.903 1.00 0.00 O ATOM 958 CB CYS A 61 -12.590 -8.350 19.838 1.00 0.00 C ATOM 959 SG CYS A 61 -12.029 -7.250 18.513 1.00 0.00 S ATOM 0 H CYS A 61 -11.116 -9.876 18.744 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.745 -8.066 20.974 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -13.156 -9.182 19.419 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -13.261 -7.815 20.510 1.00 0.00 H new ATOM 964 N LYS A 62 -11.993 -10.957 21.708 1.00 0.00 N ATOM 965 CA LYS A 62 -12.441 -11.776 22.872 1.00 0.00 C ATOM 966 C LYS A 62 -11.237 -12.298 23.664 1.00 0.00 C ATOM 967 O LYS A 62 -11.383 -13.067 24.593 1.00 0.00 O ATOM 968 CB LYS A 62 -13.222 -12.940 22.260 1.00 0.00 C ATOM 969 CG LYS A 62 -13.865 -13.766 23.376 1.00 0.00 C ATOM 970 CD LYS A 62 -14.578 -14.978 22.769 1.00 0.00 C ATOM 971 CE LYS A 62 -15.275 -15.766 23.880 1.00 0.00 C ATOM 972 NZ LYS A 62 -14.724 -17.145 23.775 1.00 0.00 N ATOM 0 H LYS A 62 -11.834 -11.478 20.845 1.00 0.00 H new ATOM 0 HA LYS A 62 -13.045 -11.195 23.569 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.989 -12.562 21.585 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.556 -13.567 21.667 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.104 -14.095 24.084 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.575 -13.154 23.933 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.307 -14.651 22.027 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.860 -15.615 22.252 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.071 -15.333 24.859 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.357 -15.762 23.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.154 -17.747 24.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.939 -17.534 22.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.693 -17.118 23.911 1.00 0.00 H new ATOM 986 N GLU A 63 -10.048 -11.889 23.313 1.00 0.00 N ATOM 987 CA GLU A 63 -8.851 -12.372 24.061 1.00 0.00 C ATOM 988 C GLU A 63 -8.019 -11.185 24.557 1.00 0.00 C ATOM 989 O GLU A 63 -7.926 -10.173 23.893 1.00 0.00 O ATOM 990 CB GLU A 63 -8.057 -13.210 23.058 1.00 0.00 C ATOM 991 CG GLU A 63 -7.811 -12.394 21.788 1.00 0.00 C ATOM 992 CD GLU A 63 -6.910 -13.188 20.840 1.00 0.00 C ATOM 993 OE1 GLU A 63 -7.436 -13.995 20.092 1.00 0.00 O ATOM 994 OE2 GLU A 63 -5.709 -12.975 20.877 1.00 0.00 O ATOM 0 H GLU A 63 -9.854 -11.246 22.546 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.125 -12.953 24.941 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.107 -13.515 23.496 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.604 -14.121 22.816 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.759 -12.165 21.300 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.344 -11.442 22.039 1.00 0.00 H new ATOM 1001 N PRO A 64 -7.441 -11.352 25.720 1.00 0.00 N ATOM 1002 CA PRO A 64 -6.609 -10.284 26.324 1.00 0.00 C ATOM 1003 C PRO A 64 -5.407 -9.962 25.433 1.00 0.00 C ATOM 1004 O PRO A 64 -4.738 -8.964 25.615 1.00 0.00 O ATOM 1005 CB PRO A 64 -6.162 -10.915 27.646 1.00 0.00 C ATOM 1006 CG PRO A 64 -6.762 -12.332 27.748 1.00 0.00 C ATOM 1007 CD PRO A 64 -7.587 -12.611 26.485 1.00 0.00 C ATOM 0 HA PRO A 64 -7.138 -9.340 26.453 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -5.074 -10.962 27.693 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.492 -10.304 28.486 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.968 -13.072 27.851 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.390 -12.413 28.635 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.204 -13.468 25.932 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.630 -12.824 26.721 1.00 0.00 H new ATOM 1015 N ASN A 65 -5.124 -10.799 24.472 1.00 0.00 N ATOM 1016 CA ASN A 65 -3.961 -10.536 23.577 1.00 0.00 C ATOM 1017 C ASN A 65 -4.335 -9.505 22.510 1.00 0.00 C ATOM 1018 O ASN A 65 -3.485 -8.840 21.952 1.00 0.00 O ATOM 1019 CB ASN A 65 -3.646 -11.885 22.929 1.00 0.00 C ATOM 1020 CG ASN A 65 -3.204 -12.879 24.005 1.00 0.00 C ATOM 1021 OD1 ASN A 65 -2.848 -12.488 25.100 1.00 0.00 O ATOM 1022 ND2 ASN A 65 -3.211 -14.157 23.739 1.00 0.00 N ATOM 0 H ASN A 65 -5.646 -11.651 24.268 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.106 -10.134 24.121 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.525 -12.264 22.408 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.860 -11.767 22.183 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.918 -14.827 24.450 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.510 -14.485 22.821 1.00 0.00 H new ATOM 1029 N ALA A 66 -5.600 -9.359 22.225 1.00 0.00 N ATOM 1030 CA ALA A 66 -6.019 -8.366 21.198 1.00 0.00 C ATOM 1031 C ALA A 66 -5.295 -7.040 21.434 1.00 0.00 C ATOM 1032 O ALA A 66 -4.862 -6.384 20.507 1.00 0.00 O ATOM 1033 CB ALA A 66 -7.524 -8.198 21.392 1.00 0.00 C ATOM 0 H ALA A 66 -6.360 -9.884 22.658 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.778 -8.689 20.185 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.906 -7.478 20.668 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.019 -9.158 21.246 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.723 -7.838 22.401 1.00 0.00 H new ATOM 1039 N GLN A 67 -5.150 -6.647 22.670 1.00 0.00 N ATOM 1040 CA GLN A 67 -4.439 -5.371 22.961 1.00 0.00 C ATOM 1041 C GLN A 67 -2.993 -5.479 22.478 1.00 0.00 C ATOM 1042 O GLN A 67 -2.424 -4.534 21.968 1.00 0.00 O ATOM 1043 CB GLN A 67 -4.496 -5.219 24.481 1.00 0.00 C ATOM 1044 CG GLN A 67 -5.954 -5.076 24.921 1.00 0.00 C ATOM 1045 CD GLN A 67 -6.017 -4.825 26.430 1.00 0.00 C ATOM 1046 OE1 GLN A 67 -4.917 -4.844 27.134 1.00 0.00 O flip ATOM 1047 NE2 GLN A 67 -7.081 -4.610 26.975 1.00 0.00 N flip ATOM 0 H GLN A 67 -5.492 -7.152 23.488 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.886 -4.512 22.460 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.042 -6.086 24.962 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.923 -4.346 24.792 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.426 -4.252 24.386 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.510 -5.979 24.670 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.941 -4.595 26.427 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.115 -4.445 27.981 1.00 0.00 H new ATOM 1056 N GLU A 68 -2.404 -6.634 22.620 1.00 0.00 N ATOM 1057 CA GLU A 68 -1.005 -6.820 22.150 1.00 0.00 C ATOM 1058 C GLU A 68 -1.004 -7.060 20.638 1.00 0.00 C ATOM 1059 O GLU A 68 -0.153 -6.575 19.920 1.00 0.00 O ATOM 1060 CB GLU A 68 -0.495 -8.054 22.895 1.00 0.00 C ATOM 1061 CG GLU A 68 -0.372 -7.732 24.386 1.00 0.00 C ATOM 1062 CD GLU A 68 0.160 -8.959 25.131 1.00 0.00 C ATOM 1063 OE1 GLU A 68 0.317 -9.989 24.496 1.00 0.00 O ATOM 1064 OE2 GLU A 68 0.400 -8.846 26.321 1.00 0.00 O ATOM 0 H GLU A 68 -2.833 -7.458 23.042 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.376 -5.950 22.341 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.179 -8.890 22.747 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.473 -8.359 22.496 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.299 -6.885 24.532 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.343 -7.442 24.788 1.00 0.00 H new ATOM 1071 N ILE A 69 -1.964 -7.803 20.152 1.00 0.00 N ATOM 1072 CA ILE A 69 -2.032 -8.074 18.687 1.00 0.00 C ATOM 1073 C ILE A 69 -2.440 -6.803 17.941 1.00 0.00 C ATOM 1074 O ILE A 69 -1.856 -6.443 16.938 1.00 0.00 O ATOM 1075 CB ILE A 69 -3.114 -9.146 18.523 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -2.740 -10.394 19.327 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -3.243 -9.513 17.043 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -3.900 -11.394 19.282 1.00 0.00 C ATOM 0 H ILE A 69 -2.704 -8.233 20.707 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.072 -8.398 18.286 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.064 -8.757 18.890 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.838 -10.848 18.917 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.519 -10.123 20.359 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.012 -10.276 16.923 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.518 -8.627 16.471 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.290 -9.898 16.679 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.636 -12.284 19.854 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.791 -10.937 19.712 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.099 -11.674 18.248 1.00 0.00 H new ATOM 1090 N LEU A 70 -3.444 -6.125 18.426 1.00 0.00 N ATOM 1091 CA LEU A 70 -3.905 -4.878 17.753 1.00 0.00 C ATOM 1092 C LEU A 70 -2.707 -4.049 17.277 1.00 0.00 C ATOM 1093 O LEU A 70 -2.468 -3.916 16.094 1.00 0.00 O ATOM 1094 CB LEU A 70 -4.698 -4.126 18.826 1.00 0.00 C ATOM 1095 CG LEU A 70 -5.123 -2.754 18.296 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -3.957 -1.772 18.430 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -5.525 -2.870 16.825 1.00 0.00 C ATOM 0 H LEU A 70 -3.967 -6.382 19.263 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.508 -5.083 16.868 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.577 -4.703 19.112 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.090 -4.006 19.723 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.973 -2.392 18.874 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.259 -0.795 18.053 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.674 -1.684 19.479 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.106 -2.136 17.854 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.827 -1.891 16.452 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.678 -3.234 16.244 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.357 -3.567 16.729 1.00 0.00 H new ATOM 1109 N GLN A 71 -1.955 -3.490 18.184 1.00 0.00 N ATOM 1110 CA GLN A 71 -0.778 -2.670 17.770 1.00 0.00 C ATOM 1111 C GLN A 71 -0.018 -3.360 16.634 1.00 0.00 C ATOM 1112 O GLN A 71 0.241 -2.774 15.602 1.00 0.00 O ATOM 1113 CB GLN A 71 0.100 -2.574 19.016 1.00 0.00 C ATOM 1114 CG GLN A 71 -0.659 -1.840 20.124 1.00 0.00 C ATOM 1115 CD GLN A 71 0.278 -1.585 21.308 1.00 0.00 C ATOM 1116 OE1 GLN A 71 -0.106 -0.959 22.275 1.00 0.00 O ATOM 1117 NE2 GLN A 71 1.499 -2.047 21.274 1.00 0.00 N ATOM 0 H GLN A 71 -2.102 -3.564 19.191 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.075 -1.688 17.402 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.381 -3.572 19.353 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.024 -2.045 18.782 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.049 -0.895 19.746 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.515 -2.433 20.446 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.823 -2.573 20.462 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.129 -1.882 22.059 1.00 0.00 H new ATOM 1126 N ARG A 72 0.340 -4.603 16.813 1.00 0.00 N ATOM 1127 CA ARG A 72 1.081 -5.325 15.740 1.00 0.00 C ATOM 1128 C ARG A 72 0.310 -5.236 14.420 1.00 0.00 C ATOM 1129 O ARG A 72 0.806 -4.731 13.433 1.00 0.00 O ATOM 1130 CB ARG A 72 1.166 -6.773 16.223 1.00 0.00 C ATOM 1131 CG ARG A 72 1.940 -6.819 17.542 1.00 0.00 C ATOM 1132 CD ARG A 72 1.886 -8.234 18.119 1.00 0.00 C ATOM 1133 NE ARG A 72 2.846 -8.211 19.258 1.00 0.00 N ATOM 1134 CZ ARG A 72 2.406 -8.238 20.485 1.00 0.00 C ATOM 1135 NH1 ARG A 72 2.154 -7.121 21.112 1.00 0.00 N ATOM 1136 NH2 ARG A 72 2.222 -9.382 21.088 1.00 0.00 N ATOM 0 H ARG A 72 0.152 -5.148 17.654 1.00 0.00 H new ATOM 0 HA ARG A 72 2.069 -4.902 15.558 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.165 -7.182 16.360 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.663 -7.390 15.474 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.976 -6.521 17.378 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.513 -6.110 18.251 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.880 -8.488 18.453 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.172 -8.977 17.374 1.00 0.00 H new ATOM 0 HE ARG A 72 3.849 -8.174 19.078 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.301 -6.228 20.642 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.810 -7.141 22.072 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.423 -10.254 20.599 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.878 -9.403 22.048 1.00 0.00 H new ATOM 1150 N LEU A 73 -0.903 -5.717 14.396 1.00 0.00 N ATOM 1151 CA LEU A 73 -1.705 -5.653 13.142 1.00 0.00 C ATOM 1152 C LEU A 73 -1.629 -4.248 12.542 1.00 0.00 C ATOM 1153 O LEU A 73 -1.284 -4.070 11.391 1.00 0.00 O ATOM 1154 CB LEU A 73 -3.136 -5.976 13.571 1.00 0.00 C ATOM 1155 CG LEU A 73 -3.185 -7.394 14.142 1.00 0.00 C ATOM 1156 CD1 LEU A 73 -4.643 -7.812 14.346 1.00 0.00 C ATOM 1157 CD2 LEU A 73 -2.510 -8.360 13.166 1.00 0.00 C ATOM 0 H LEU A 73 -1.373 -6.151 15.190 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.342 -6.345 12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.474 -5.259 14.319 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.811 -5.891 12.719 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.663 -7.419 15.098 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.678 -8.823 14.753 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.125 -7.124 15.041 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.166 -7.787 13.390 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.544 -9.371 13.572 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.032 -8.335 12.210 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.471 -8.063 13.020 1.00 0.00 H new ATOM 1169 N GLU A 74 -1.954 -3.247 13.314 1.00 0.00 N ATOM 1170 CA GLU A 74 -1.902 -1.853 12.788 1.00 0.00 C ATOM 1171 C GLU A 74 -0.533 -1.579 12.162 1.00 0.00 C ATOM 1172 O GLU A 74 -0.433 -1.036 11.080 1.00 0.00 O ATOM 1173 CB GLU A 74 -2.129 -0.960 14.009 1.00 0.00 C ATOM 1174 CG GLU A 74 -3.462 -1.326 14.666 1.00 0.00 C ATOM 1175 CD GLU A 74 -3.795 -0.302 15.753 1.00 0.00 C ATOM 1176 OE1 GLU A 74 -2.869 0.221 16.351 1.00 0.00 O ATOM 1177 OE2 GLU A 74 -4.971 -0.059 15.970 1.00 0.00 O ATOM 0 H GLU A 74 -2.253 -3.334 14.285 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.646 -1.673 12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.313 -1.085 14.721 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -2.134 0.088 13.711 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.254 -1.348 13.918 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.404 -2.325 15.098 1.00 0.00 H new ATOM 1184 N GLU A 75 0.525 -1.955 12.830 1.00 0.00 N ATOM 1185 CA GLU A 75 1.882 -1.717 12.263 1.00 0.00 C ATOM 1186 C GLU A 75 1.998 -2.392 10.895 1.00 0.00 C ATOM 1187 O GLU A 75 2.379 -1.778 9.919 1.00 0.00 O ATOM 1188 CB GLU A 75 2.847 -2.351 13.264 1.00 0.00 C ATOM 1189 CG GLU A 75 4.289 -2.078 12.826 1.00 0.00 C ATOM 1190 CD GLU A 75 5.252 -2.821 13.753 1.00 0.00 C ATOM 1191 OE1 GLU A 75 4.777 -3.514 14.638 1.00 0.00 O ATOM 1192 OE2 GLU A 75 6.450 -2.684 13.563 1.00 0.00 O ATOM 0 H GLU A 75 0.508 -2.415 13.740 1.00 0.00 H new ATOM 0 HA GLU A 75 2.094 -0.658 12.116 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.675 -1.943 14.260 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.671 -3.425 13.325 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.435 -2.403 11.796 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.493 -1.008 12.855 1.00 0.00 H new ATOM 1199 N ILE A 76 1.662 -3.652 10.813 1.00 0.00 N ATOM 1200 CA ILE A 76 1.745 -4.356 9.502 1.00 0.00 C ATOM 1201 C ILE A 76 0.821 -3.671 8.495 1.00 0.00 C ATOM 1202 O ILE A 76 1.150 -3.522 7.335 1.00 0.00 O ATOM 1203 CB ILE A 76 1.274 -5.783 9.780 1.00 0.00 C ATOM 1204 CG1 ILE A 76 2.149 -6.407 10.870 1.00 0.00 C ATOM 1205 CG2 ILE A 76 1.386 -6.613 8.500 1.00 0.00 C ATOM 1206 CD1 ILE A 76 3.623 -6.159 10.547 1.00 0.00 C ATOM 0 H ILE A 76 1.335 -4.221 11.594 1.00 0.00 H new ATOM 0 HA ILE A 76 2.751 -4.342 9.083 1.00 0.00 H new ATOM 0 HB ILE A 76 0.237 -5.765 10.114 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.901 -5.977 11.840 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.956 -7.478 10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.050 -7.631 8.696 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.764 -6.169 7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.424 -6.631 8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.245 -6.604 11.324 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.866 -6.610 9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.810 -5.086 10.502 1.00 0.00 H new ATOM 1218 N ALA A 77 -0.331 -3.244 8.936 1.00 0.00 N ATOM 1219 CA ALA A 77 -1.274 -2.559 8.010 1.00 0.00 C ATOM 1220 C ALA A 77 -0.568 -1.384 7.334 1.00 0.00 C ATOM 1221 O ALA A 77 -0.765 -1.115 6.165 1.00 0.00 O ATOM 1222 CB ALA A 77 -2.415 -2.063 8.900 1.00 0.00 C ATOM 0 H ALA A 77 -0.659 -3.340 9.897 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.637 -3.216 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.154 -1.545 8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.885 -2.912 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.020 -1.378 9.650 1.00 0.00 H new ATOM 1228 N GLU A 78 0.261 -0.683 8.061 1.00 0.00 N ATOM 1229 CA GLU A 78 0.987 0.469 7.454 1.00 0.00 C ATOM 1230 C GLU A 78 1.519 0.072 6.076 1.00 0.00 C ATOM 1231 O GLU A 78 1.594 0.883 5.178 1.00 0.00 O ATOM 1232 CB GLU A 78 2.141 0.760 8.414 1.00 0.00 C ATOM 1233 CG GLU A 78 2.872 2.028 7.965 1.00 0.00 C ATOM 1234 CD GLU A 78 4.094 2.256 8.859 1.00 0.00 C ATOM 1235 OE1 GLU A 78 4.324 1.438 9.735 1.00 0.00 O ATOM 1236 OE2 GLU A 78 4.777 3.244 8.652 1.00 0.00 O ATOM 0 H GLU A 78 0.466 -0.858 9.045 1.00 0.00 H new ATOM 0 HA GLU A 78 0.349 1.342 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.761 0.886 9.428 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.832 -0.083 8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.182 1.933 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.202 2.886 8.021 1.00 0.00 H new ATOM 1243 N ASP A 79 1.892 -1.178 5.925 1.00 0.00 N ATOM 1244 CA ASP A 79 2.435 -1.690 4.627 1.00 0.00 C ATOM 1245 C ASP A 79 3.965 -1.641 4.637 1.00 0.00 C ATOM 1246 O ASP A 79 4.563 -0.814 3.977 1.00 0.00 O ATOM 1247 CB ASP A 79 1.880 -0.774 3.543 1.00 0.00 C ATOM 1248 CG ASP A 79 2.169 -1.379 2.166 1.00 0.00 C ATOM 1249 OD1 ASP A 79 1.431 -2.263 1.763 1.00 0.00 O ATOM 1250 OD2 ASP A 79 3.123 -0.947 1.541 1.00 0.00 O ATOM 0 H ASP A 79 1.841 -1.879 6.664 1.00 0.00 H new ATOM 0 HA ASP A 79 2.145 -2.727 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.806 -0.644 3.677 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.333 0.214 3.620 1.00 0.00 H new ATOM 1255 N PRO A 80 4.548 -2.541 5.384 1.00 0.00 N ATOM 1256 CA PRO A 80 6.023 -2.618 5.482 1.00 0.00 C ATOM 1257 C PRO A 80 6.629 -2.896 4.107 1.00 0.00 C ATOM 1258 O PRO A 80 7.709 -2.445 3.781 1.00 0.00 O ATOM 1259 CB PRO A 80 6.236 -3.806 6.425 1.00 0.00 C ATOM 1260 CG PRO A 80 4.859 -4.366 6.834 1.00 0.00 C ATOM 1261 CD PRO A 80 3.764 -3.527 6.163 1.00 0.00 C ATOM 0 HA PRO A 80 6.490 -1.700 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.827 -4.578 5.932 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.794 -3.493 7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 80 4.772 -5.410 6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.746 -4.336 7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.123 -4.133 5.523 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.117 -3.044 6.895 1.00 0.00 H new ATOM 1269 N GLY A 81 5.944 -3.667 3.319 1.00 0.00 N ATOM 1270 CA GLY A 81 6.472 -4.025 1.977 1.00 0.00 C ATOM 1271 C GLY A 81 7.201 -5.354 2.120 1.00 0.00 C ATOM 1272 O GLY A 81 7.256 -6.154 1.207 1.00 0.00 O ATOM 0 H GLY A 81 5.034 -4.068 3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.661 -4.107 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.148 -3.253 1.611 1.00 0.00 H new ATOM 1276 N THR A 82 7.731 -5.607 3.287 1.00 0.00 N ATOM 1277 CA THR A 82 8.424 -6.897 3.528 1.00 0.00 C ATOM 1278 C THR A 82 7.361 -7.982 3.659 1.00 0.00 C ATOM 1279 O THR A 82 7.497 -9.073 3.143 1.00 0.00 O ATOM 1280 CB THR A 82 9.179 -6.710 4.846 1.00 0.00 C ATOM 1281 OG1 THR A 82 8.257 -6.384 5.876 1.00 0.00 O ATOM 1282 CG2 THR A 82 10.199 -5.581 4.695 1.00 0.00 C ATOM 0 H THR A 82 7.711 -4.971 4.084 1.00 0.00 H new ATOM 0 HA THR A 82 9.108 -7.182 2.728 1.00 0.00 H new ATOM 0 HB THR A 82 9.698 -7.634 5.102 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.739 -6.266 6.721 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.736 -5.448 5.634 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.906 -5.833 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.683 -4.656 4.439 1.00 0.00 H new ATOM 1290 N CYS A 83 6.284 -7.676 4.334 1.00 0.00 N ATOM 1291 CA CYS A 83 5.197 -8.687 4.475 1.00 0.00 C ATOM 1292 C CYS A 83 4.708 -9.086 3.078 1.00 0.00 C ATOM 1293 O CYS A 83 4.465 -10.240 2.796 1.00 0.00 O ATOM 1294 CB CYS A 83 4.087 -7.984 5.267 1.00 0.00 C ATOM 1295 SG CYS A 83 2.698 -9.110 5.521 1.00 0.00 S ATOM 0 H CYS A 83 6.112 -6.780 4.789 1.00 0.00 H new ATOM 0 HA CYS A 83 5.522 -9.595 4.983 1.00 0.00 H new ATOM 0 HB2 CYS A 83 4.473 -7.648 6.229 1.00 0.00 H new ATOM 0 HB3 CYS A 83 3.752 -7.097 4.730 1.00 0.00 H new ATOM 1300 N GLU A 84 4.580 -8.136 2.194 1.00 0.00 N ATOM 1301 CA GLU A 84 4.121 -8.460 0.813 1.00 0.00 C ATOM 1302 C GLU A 84 5.147 -9.353 0.106 1.00 0.00 C ATOM 1303 O GLU A 84 4.801 -10.198 -0.695 1.00 0.00 O ATOM 1304 CB GLU A 84 4.006 -7.109 0.106 1.00 0.00 C ATOM 1305 CG GLU A 84 2.887 -6.288 0.752 1.00 0.00 C ATOM 1306 CD GLU A 84 2.701 -4.981 -0.022 1.00 0.00 C ATOM 1307 OE1 GLU A 84 3.517 -4.705 -0.886 1.00 0.00 O ATOM 1308 OE2 GLU A 84 1.747 -4.276 0.264 1.00 0.00 O ATOM 0 H GLU A 84 4.773 -7.150 2.367 1.00 0.00 H new ATOM 0 HA GLU A 84 3.176 -9.003 0.810 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.951 -6.570 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.797 -7.258 -0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.958 -6.858 0.753 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.132 -6.075 1.793 1.00 0.00 H new ATOM 1315 N ILE A 85 6.408 -9.172 0.397 1.00 0.00 N ATOM 1316 CA ILE A 85 7.450 -10.013 -0.262 1.00 0.00 C ATOM 1317 C ILE A 85 7.793 -11.219 0.619 1.00 0.00 C ATOM 1318 O ILE A 85 8.751 -11.926 0.375 1.00 0.00 O ATOM 1319 CB ILE A 85 8.666 -9.098 -0.420 1.00 0.00 C ATOM 1320 CG1 ILE A 85 9.226 -8.754 0.960 1.00 0.00 C ATOM 1321 CG2 ILE A 85 8.249 -7.811 -1.133 1.00 0.00 C ATOM 1322 CD1 ILE A 85 10.389 -7.771 0.810 1.00 0.00 C ATOM 0 H ILE A 85 6.761 -8.481 1.060 1.00 0.00 H new ATOM 0 HA ILE A 85 7.113 -10.406 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 85 9.429 -9.608 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.445 -8.317 1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.565 -9.660 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 85 9.116 -7.160 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 85 7.848 -8.054 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 85 7.485 -7.301 -0.546 1.00 0.00 H new ATOM 0 HD11 ILE A 85 10.788 -7.526 1.794 1.00 0.00 H new ATOM 0 HD12 ILE A 85 11.173 -8.225 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 85 10.036 -6.861 0.325 1.00 0.00 H new ATOM 1334 N CYS A 86 7.013 -11.460 1.637 1.00 0.00 N ATOM 1335 CA CYS A 86 7.288 -12.624 2.532 1.00 0.00 C ATOM 1336 C CYS A 86 8.582 -12.401 3.321 1.00 0.00 C ATOM 1337 O CYS A 86 9.105 -13.308 3.937 1.00 0.00 O ATOM 1338 CB CYS A 86 7.434 -13.821 1.591 1.00 0.00 C ATOM 1339 SG CYS A 86 6.638 -15.270 2.328 1.00 0.00 S ATOM 0 H CYS A 86 6.197 -10.902 1.889 1.00 0.00 H new ATOM 0 HA CYS A 86 6.495 -12.773 3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.981 -13.596 0.626 1.00 0.00 H new ATOM 0 HB3 CYS A 86 8.489 -14.026 1.408 1.00 0.00 H new ATOM 1344 N ALA A 87 9.100 -11.203 3.311 1.00 0.00 N ATOM 1345 CA ALA A 87 10.357 -10.933 4.068 1.00 0.00 C ATOM 1346 C ALA A 87 10.153 -11.259 5.550 1.00 0.00 C ATOM 1347 O ALA A 87 11.047 -11.735 6.220 1.00 0.00 O ATOM 1348 CB ALA A 87 10.622 -9.440 3.878 1.00 0.00 C ATOM 0 H ALA A 87 8.710 -10.402 2.814 1.00 0.00 H new ATOM 0 HA ALA A 87 11.192 -11.540 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.534 -9.162 4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.738 -9.223 2.816 1.00 0.00 H new ATOM 0 HB3 ALA A 87 9.783 -8.868 4.275 1.00 0.00 H new ATOM 1354 N TYR A 88 8.981 -11.004 6.064 1.00 0.00 N ATOM 1355 CA TYR A 88 8.715 -11.297 7.500 1.00 0.00 C ATOM 1356 C TYR A 88 7.515 -12.241 7.627 1.00 0.00 C ATOM 1357 O TYR A 88 6.779 -12.451 6.683 1.00 0.00 O ATOM 1358 CB TYR A 88 8.402 -9.939 8.128 1.00 0.00 C ATOM 1359 CG TYR A 88 8.466 -10.048 9.633 1.00 0.00 C ATOM 1360 CD1 TYR A 88 9.684 -10.326 10.266 1.00 0.00 C ATOM 1361 CD2 TYR A 88 7.306 -9.870 10.397 1.00 0.00 C ATOM 1362 CE1 TYR A 88 9.742 -10.425 11.661 1.00 0.00 C ATOM 1363 CE2 TYR A 88 7.364 -9.970 11.793 1.00 0.00 C ATOM 1364 CZ TYR A 88 8.582 -10.247 12.424 1.00 0.00 C ATOM 1365 OH TYR A 88 8.639 -10.345 13.800 1.00 0.00 O ATOM 0 H TYR A 88 8.195 -10.605 5.550 1.00 0.00 H new ATOM 0 HA TYR A 88 9.558 -11.785 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.114 -9.192 7.777 1.00 0.00 H new ATOM 0 HB3 TYR A 88 7.412 -9.604 7.820 1.00 0.00 H new ATOM 0 HD1 TYR A 88 10.579 -10.464 9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 88 6.366 -9.656 9.910 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.682 -10.639 12.149 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.469 -9.833 12.382 1.00 0.00 H new ATOM 0 HH TYR A 88 7.747 -10.194 14.176 1.00 0.00 H new ATOM 1375 N ALA A 89 7.307 -12.807 8.784 1.00 0.00 N ATOM 1376 CA ALA A 89 6.149 -13.731 8.961 1.00 0.00 C ATOM 1377 C ALA A 89 4.842 -12.935 8.972 1.00 0.00 C ATOM 1378 O ALA A 89 3.762 -13.492 8.977 1.00 0.00 O ATOM 1379 CB ALA A 89 6.382 -14.403 10.315 1.00 0.00 C ATOM 0 H ALA A 89 7.886 -12.671 9.613 1.00 0.00 H new ATOM 0 HA ALA A 89 6.071 -14.460 8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.570 -15.101 10.520 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.328 -14.944 10.295 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.414 -13.644 11.097 1.00 0.00 H new ATOM 1385 N ALA A 90 4.935 -11.635 8.980 1.00 0.00 N ATOM 1386 CA ALA A 90 3.707 -10.791 8.996 1.00 0.00 C ATOM 1387 C ALA A 90 2.746 -11.204 7.875 1.00 0.00 C ATOM 1388 O ALA A 90 1.541 -11.180 8.041 1.00 0.00 O ATOM 1389 CB ALA A 90 4.210 -9.366 8.768 1.00 0.00 C ATOM 0 H ALA A 90 5.814 -11.117 8.976 1.00 0.00 H new ATOM 0 HA ALA A 90 3.155 -10.892 9.930 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.365 -8.678 8.766 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.899 -9.091 9.566 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.725 -9.311 7.809 1.00 0.00 H new ATOM 1395 N CYS A 91 3.265 -11.566 6.734 1.00 0.00 N ATOM 1396 CA CYS A 91 2.374 -11.959 5.604 1.00 0.00 C ATOM 1397 C CYS A 91 2.356 -13.477 5.418 1.00 0.00 C ATOM 1398 O CYS A 91 3.368 -14.090 5.143 1.00 0.00 O ATOM 1399 CB CYS A 91 2.984 -11.294 4.378 1.00 0.00 C ATOM 1400 SG CYS A 91 1.991 -9.851 3.920 1.00 0.00 S ATOM 0 H CYS A 91 4.265 -11.607 6.535 1.00 0.00 H new ATOM 0 HA CYS A 91 1.343 -11.653 5.781 1.00 0.00 H new ATOM 0 HB2 CYS A 91 4.010 -10.992 4.587 1.00 0.00 H new ATOM 0 HB3 CYS A 91 3.023 -12.001 3.549 1.00 0.00 H new ATOM 1405 N THR A 92 1.214 -14.088 5.559 1.00 0.00 N ATOM 1406 CA THR A 92 1.136 -15.566 5.384 1.00 0.00 C ATOM 1407 C THR A 92 0.642 -15.906 3.976 1.00 0.00 C ATOM 1408 O THR A 92 0.341 -15.034 3.186 1.00 0.00 O ATOM 1409 CB THR A 92 0.134 -16.032 6.438 1.00 0.00 C ATOM 1410 OG1 THR A 92 -1.180 -15.678 6.028 1.00 0.00 O ATOM 1411 CG2 THR A 92 0.456 -15.359 7.772 1.00 0.00 C ATOM 0 H THR A 92 0.332 -13.630 5.787 1.00 0.00 H new ATOM 0 HA THR A 92 2.105 -16.052 5.502 1.00 0.00 H new ATOM 0 HB THR A 92 0.197 -17.114 6.553 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.825 -15.978 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.257 -15.689 8.527 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.465 -15.630 8.082 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.390 -14.277 7.659 1.00 0.00 H new ATOM 1419 N GLY A 93 0.561 -17.168 3.654 1.00 0.00 N ATOM 1420 CA GLY A 93 0.091 -17.561 2.296 1.00 0.00 C ATOM 1421 C GLY A 93 1.288 -17.629 1.345 1.00 0.00 C ATOM 1422 O GLY A 93 1.166 -18.032 0.205 1.00 0.00 O ATOM 0 H GLY A 93 0.800 -17.943 4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.410 -18.528 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.639 -16.840 1.929 1.00 0.00 H new ATOM 1426 N CYS A 94 2.446 -17.237 1.804 1.00 0.00 N ATOM 1427 CA CYS A 94 3.650 -17.281 0.925 1.00 0.00 C ATOM 1428 C CYS A 94 4.675 -18.271 1.485 1.00 0.00 C ATOM 1429 O CYS A 94 4.450 -19.464 1.354 1.00 0.00 O ATOM 1430 CB CYS A 94 4.213 -15.859 0.948 1.00 0.00 C ATOM 1431 SG CYS A 94 4.546 -15.368 2.658 1.00 0.00 S ATOM 1432 OXT CYS A 94 5.666 -17.821 2.035 1.00 0.00 O ATOM 0 H CYS A 94 2.610 -16.889 2.748 1.00 0.00 H new ATOM 0 HA CYS A 94 3.410 -17.607 -0.087 1.00 0.00 H new ATOM 0 HB2 CYS A 94 5.129 -15.810 0.360 1.00 0.00 H new ATOM 0 HB3 CYS A 94 3.504 -15.168 0.492 1.00 0.00 H new