USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 579 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 ASN : amide:sc= -0.082 X(o=-0.082,f=-0.5) USER MOD Single : A 1 ASN N :NH3+ -136:sc= 0.00535 (180deg=-0.184) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 135:sc= -1.43 USER MOD Single : A 9 SER OG : rot -130:sc= -0.0861 USER MOD Single : A 12 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.51) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= 1.14 (180deg=0.994) USER MOD Single : A 18 ASN : amide:sc= -4.63! C(o=-4.6!,f=-1.6!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc= -2 K(o=-2,f=-6.5) USER MOD Single : A 32 THR OG1 : rot 150:sc= -0.118 USER MOD Single : A 41 THR OG1 : rot 71:sc= 1.8 USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0364 (180deg=-0.621) USER MOD Single : A 43 TYR OH : rot 130:sc= -0.694 USER MOD Single : A 45 GLN : amide:sc= -3.71! C(o=-3.7!,f=-5.2!) USER MOD Single : A 49 GLN : amide:sc= -3.42 X(o=-3.4,f=-3.9!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.0411 X(o=-0.041,f=-0.041) USER MOD Single : A 56 HIS : no HD1:sc= -2.97 K(o=-3,f=-6.6!) USER MOD Single : A 57 GLN : amide:sc= -3! K(o=-3!,f=-1.7) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.122 K(o=-0.12,f=-0.94) USER MOD Single : A 75 SER OG : rot -21:sc= 0.213 USER MOD Single : A 76 SER OG : rot 16:sc= 0.351 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -10.867 3.076 -12.911 1.00 0.00 N ATOM 2 CA ASN A 1 -11.657 2.118 -13.735 1.00 0.00 C ATOM 3 C ASN A 1 -12.785 1.535 -12.879 1.00 0.00 C ATOM 4 O ASN A 1 -12.690 1.489 -11.649 1.00 0.00 O ATOM 5 CB ASN A 1 -10.725 0.992 -14.240 1.00 0.00 C ATOM 6 CG ASN A 1 -9.585 1.582 -15.073 1.00 0.00 C ATOM 7 OD1 ASN A 1 -9.807 2.492 -15.872 1.00 0.00 O ATOM 8 ND2 ASN A 1 -8.373 1.112 -14.936 1.00 0.00 N ATOM 0 H1 ASN A 1 -10.673 3.934 -13.466 1.00 0.00 H new ATOM 0 H2 ASN A 1 -11.408 3.330 -12.060 1.00 0.00 H new ATOM 0 H3 ASN A 1 -9.968 2.634 -12.631 1.00 0.00 H new ATOM 0 HA ASN A 1 -12.091 2.628 -14.595 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -10.318 0.440 -13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.293 0.281 -14.840 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -7.610 1.499 -15.491 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -8.190 0.358 -14.274 1.00 0.00 H new ATOM 17 N THR A 2 -13.847 1.070 -13.549 1.00 0.00 N ATOM 18 CA THR A 2 -15.004 0.472 -12.866 1.00 0.00 C ATOM 19 C THR A 2 -14.587 -0.771 -12.080 1.00 0.00 C ATOM 20 O THR A 2 -15.310 -1.231 -11.196 1.00 0.00 O ATOM 21 CB THR A 2 -16.090 0.095 -13.904 1.00 0.00 C ATOM 22 OG1 THR A 2 -17.143 -0.587 -13.237 1.00 0.00 O ATOM 23 CG2 THR A 2 -15.508 -0.821 -15.009 1.00 0.00 C ATOM 0 H THR A 2 -13.930 1.096 -14.565 1.00 0.00 H new ATOM 0 HA THR A 2 -15.408 1.204 -12.167 1.00 0.00 H new ATOM 0 HB THR A 2 -16.460 1.007 -14.373 1.00 0.00 H new ATOM 0 HG1 THR A 2 -17.838 -0.829 -13.884 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.291 -1.071 -15.725 1.00 0.00 H new ATOM 0 HG22 THR A 2 -14.699 -0.302 -15.523 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.124 -1.736 -14.558 1.00 0.00 H new ATOM 31 N VAL A 3 -13.408 -1.314 -12.419 1.00 0.00 N ATOM 32 CA VAL A 3 -12.883 -2.513 -11.752 1.00 0.00 C ATOM 33 C VAL A 3 -12.669 -2.226 -10.265 1.00 0.00 C ATOM 34 O VAL A 3 -12.993 -3.057 -9.415 1.00 0.00 O ATOM 35 CB VAL A 3 -11.542 -2.960 -12.424 1.00 0.00 C ATOM 36 CG1 VAL A 3 -10.997 -4.270 -11.764 1.00 0.00 C ATOM 37 CG2 VAL A 3 -11.776 -3.205 -13.944 1.00 0.00 C ATOM 0 H VAL A 3 -12.802 -0.942 -13.150 1.00 0.00 H new ATOM 0 HA VAL A 3 -13.605 -3.324 -11.852 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.806 -2.168 -12.284 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -10.065 -4.561 -12.248 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.816 -4.095 -10.703 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.730 -5.068 -11.880 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -10.841 -3.516 -14.411 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.525 -3.986 -14.076 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.126 -2.284 -14.411 1.00 0.00 H new ATOM 47 N ASP A 4 -12.101 -1.049 -9.965 1.00 0.00 N ATOM 48 CA ASP A 4 -11.825 -0.654 -8.577 1.00 0.00 C ATOM 49 C ASP A 4 -10.981 -1.724 -7.862 1.00 0.00 C ATOM 50 O ASP A 4 -11.419 -2.334 -6.880 1.00 0.00 O ATOM 51 CB ASP A 4 -13.160 -0.408 -7.824 1.00 0.00 C ATOM 52 CG ASP A 4 -14.004 0.630 -8.572 1.00 0.00 C ATOM 53 OD1 ASP A 4 -13.499 1.717 -8.797 1.00 0.00 O ATOM 54 OD2 ASP A 4 -15.139 0.324 -8.909 1.00 0.00 O ATOM 0 H ASP A 4 -11.825 -0.357 -10.662 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.251 0.272 -8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -13.714 -1.343 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.956 -0.061 -6.811 1.00 0.00 H new ATOM 59 N ASP A 5 -9.766 -1.959 -8.381 1.00 0.00 N ATOM 60 CA ASP A 5 -8.857 -2.962 -7.802 1.00 0.00 C ATOM 61 C ASP A 5 -8.460 -2.540 -6.383 1.00 0.00 C ATOM 62 O ASP A 5 -8.474 -1.356 -6.055 1.00 0.00 O ATOM 63 CB ASP A 5 -7.596 -3.118 -8.690 1.00 0.00 C ATOM 64 CG ASP A 5 -7.994 -3.549 -10.106 1.00 0.00 C ATOM 65 OD1 ASP A 5 -8.358 -4.703 -10.270 1.00 0.00 O ATOM 66 OD2 ASP A 5 -7.923 -2.725 -11.007 1.00 0.00 O ATOM 0 H ASP A 5 -9.391 -1.472 -9.195 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.368 -3.924 -7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.051 -2.175 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.924 -3.856 -8.253 1.00 0.00 H new ATOM 71 N ILE A 6 -8.119 -3.516 -5.546 1.00 0.00 N ATOM 72 CA ILE A 6 -7.728 -3.243 -4.157 1.00 0.00 C ATOM 73 C ILE A 6 -6.366 -2.539 -4.112 1.00 0.00 C ATOM 74 O ILE A 6 -6.041 -1.860 -3.137 1.00 0.00 O ATOM 75 CB ILE A 6 -7.689 -4.588 -3.367 1.00 0.00 C ATOM 76 CG1 ILE A 6 -6.709 -5.602 -4.071 1.00 0.00 C ATOM 77 CG2 ILE A 6 -9.127 -5.204 -3.311 1.00 0.00 C ATOM 78 CD1 ILE A 6 -6.493 -6.856 -3.206 1.00 0.00 C ATOM 0 H ILE A 6 -8.104 -4.504 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.458 -2.579 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.334 -4.395 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.115 -5.891 -5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.751 -5.116 -4.258 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.099 -6.144 -2.759 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.801 -4.509 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.483 -5.389 -4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.813 -7.538 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.064 -6.567 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.449 -7.353 -3.041 1.00 0.00 H new ATOM 90 N SER A 7 -5.569 -2.734 -5.169 1.00 0.00 N ATOM 91 CA SER A 7 -4.221 -2.145 -5.271 1.00 0.00 C ATOM 92 C SER A 7 -4.280 -0.774 -5.939 1.00 0.00 C ATOM 93 O SER A 7 -3.244 -0.219 -6.312 1.00 0.00 O ATOM 94 CB SER A 7 -3.313 -3.075 -6.095 1.00 0.00 C ATOM 95 OG SER A 7 -3.764 -3.098 -7.441 1.00 0.00 O ATOM 0 H SER A 7 -5.834 -3.300 -5.975 1.00 0.00 H new ATOM 0 HA SER A 7 -3.817 -2.028 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.281 -2.727 -6.051 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.328 -4.081 -5.677 1.00 0.00 H new ATOM 0 HG SER A 7 -2.997 -3.011 -8.045 1.00 0.00 H new ATOM 101 N GLU A 8 -5.496 -0.232 -6.118 1.00 0.00 N ATOM 102 CA GLU A 8 -5.669 1.072 -6.779 1.00 0.00 C ATOM 103 C GLU A 8 -4.945 2.168 -5.985 1.00 0.00 C ATOM 104 O GLU A 8 -4.314 3.056 -6.570 1.00 0.00 O ATOM 105 CB GLU A 8 -7.186 1.410 -6.904 1.00 0.00 C ATOM 106 CG GLU A 8 -7.424 2.707 -7.744 1.00 0.00 C ATOM 107 CD GLU A 8 -6.967 2.522 -9.200 1.00 0.00 C ATOM 108 OE1 GLU A 8 -7.035 1.403 -9.689 1.00 0.00 O ATOM 109 OE2 GLU A 8 -6.530 3.495 -9.790 1.00 0.00 O ATOM 0 H GLU A 8 -6.366 -0.672 -5.817 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.236 1.021 -7.778 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.708 0.574 -7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.613 1.537 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.482 2.967 -7.723 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.882 3.539 -7.294 1.00 0.00 H new ATOM 116 N SER A 9 -5.033 2.093 -4.650 1.00 0.00 N ATOM 117 CA SER A 9 -4.379 3.083 -3.779 1.00 0.00 C ATOM 118 C SER A 9 -2.866 3.106 -4.045 1.00 0.00 C ATOM 119 O SER A 9 -2.278 4.165 -4.263 1.00 0.00 O ATOM 120 CB SER A 9 -4.652 2.724 -2.310 1.00 0.00 C ATOM 121 OG SER A 9 -6.055 2.726 -2.084 1.00 0.00 O ATOM 0 H SER A 9 -5.545 1.365 -4.152 1.00 0.00 H new ATOM 0 HA SER A 9 -4.782 4.073 -3.991 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.235 1.744 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.164 3.442 -1.651 1.00 0.00 H new ATOM 0 HG SER A 9 -6.258 3.264 -1.290 1.00 0.00 H new ATOM 127 N LEU A 10 -2.251 1.917 -4.039 1.00 0.00 N ATOM 128 CA LEU A 10 -0.815 1.781 -4.304 1.00 0.00 C ATOM 129 C LEU A 10 -0.501 2.183 -5.739 1.00 0.00 C ATOM 130 O LEU A 10 0.531 2.793 -6.009 1.00 0.00 O ATOM 131 CB LEU A 10 -0.415 0.308 -4.068 1.00 0.00 C ATOM 132 CG LEU A 10 -0.700 -0.123 -2.587 1.00 0.00 C ATOM 133 CD1 LEU A 10 -0.495 -1.657 -2.447 1.00 0.00 C ATOM 134 CD2 LEU A 10 0.226 0.660 -1.595 1.00 0.00 C ATOM 0 H LEU A 10 -2.727 1.034 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.252 2.435 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.969 -0.336 -4.751 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.643 0.175 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.732 0.120 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.693 -1.958 -1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.180 -2.178 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.532 -1.912 -2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.012 0.346 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.270 0.449 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.041 1.730 -1.692 1.00 0.00 H new ATOM 146 N ARG A 11 -1.397 1.829 -6.666 1.00 0.00 N ATOM 147 CA ARG A 11 -1.194 2.146 -8.085 1.00 0.00 C ATOM 148 C ARG A 11 -1.044 3.654 -8.274 1.00 0.00 C ATOM 149 O ARG A 11 -0.419 4.102 -9.238 1.00 0.00 O ATOM 150 CB ARG A 11 -2.388 1.625 -8.924 1.00 0.00 C ATOM 151 CG ARG A 11 -2.067 1.706 -10.448 1.00 0.00 C ATOM 152 CD ARG A 11 -3.256 1.187 -11.271 1.00 0.00 C ATOM 153 NE ARG A 11 -3.493 -0.223 -10.940 1.00 0.00 N ATOM 154 CZ ARG A 11 -4.455 -0.940 -11.534 1.00 0.00 C ATOM 155 NH1 ARG A 11 -5.213 -0.390 -12.448 1.00 0.00 N ATOM 156 NH2 ARG A 11 -4.633 -2.185 -11.201 1.00 0.00 N ATOM 0 H ARG A 11 -2.262 1.328 -6.463 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.281 1.656 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.610 0.594 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.279 2.213 -8.703 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.846 2.737 -10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.177 1.118 -10.671 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.147 1.778 -11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.051 1.293 -12.336 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.907 -0.671 -10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.071 0.586 -12.709 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.946 -0.937 -12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.040 -2.612 -10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.365 -2.734 -11.652 1.00 0.00 H new ATOM 170 N GLN A 12 -1.630 4.427 -7.345 1.00 0.00 N ATOM 171 CA GLN A 12 -1.565 5.895 -7.410 1.00 0.00 C ATOM 172 C GLN A 12 -0.128 6.366 -7.715 1.00 0.00 C ATOM 173 O GLN A 12 0.142 6.901 -8.792 1.00 0.00 O ATOM 174 CB GLN A 12 -2.058 6.506 -6.061 1.00 0.00 C ATOM 175 CG GLN A 12 -2.261 8.052 -6.174 1.00 0.00 C ATOM 176 CD GLN A 12 -3.434 8.369 -7.114 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.482 7.733 -7.019 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.314 9.291 -8.029 1.00 0.00 N ATOM 0 H GLN A 12 -2.150 4.063 -6.546 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.214 6.237 -8.217 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.996 6.035 -5.768 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.334 6.289 -5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -2.453 8.473 -5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.350 8.519 -6.548 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.445 9.820 -8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.089 9.483 -8.664 1.00 0.00 H new ATOM 187 N GLY A 13 0.785 6.130 -6.765 1.00 0.00 N ATOM 188 CA GLY A 13 2.191 6.502 -6.947 1.00 0.00 C ATOM 189 C GLY A 13 2.341 8.015 -7.026 1.00 0.00 C ATOM 190 O GLY A 13 3.352 8.526 -7.510 1.00 0.00 O ATOM 0 H GLY A 13 0.577 5.687 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.785 6.115 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.578 6.045 -7.858 1.00 0.00 H new ATOM 194 N GLY A 14 1.313 8.728 -6.551 1.00 0.00 N ATOM 195 CA GLY A 14 1.305 10.197 -6.563 1.00 0.00 C ATOM 196 C GLY A 14 2.550 10.782 -5.892 1.00 0.00 C ATOM 197 O GLY A 14 2.834 11.973 -6.025 1.00 0.00 O ATOM 0 H GLY A 14 0.472 8.310 -6.152 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.248 10.551 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.413 10.559 -6.051 1.00 0.00 H new ATOM 201 N GLY A 15 3.297 9.918 -5.181 1.00 0.00 N ATOM 202 CA GLY A 15 4.535 10.307 -4.480 1.00 0.00 C ATOM 203 C GLY A 15 4.264 10.523 -2.997 1.00 0.00 C ATOM 204 O GLY A 15 4.648 9.707 -2.155 1.00 0.00 O ATOM 0 H GLY A 15 3.060 8.931 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.291 9.532 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.937 11.220 -4.919 1.00 0.00 H new ATOM 208 N LYS A 16 3.584 11.631 -2.683 1.00 0.00 N ATOM 209 CA LYS A 16 3.236 11.970 -1.295 1.00 0.00 C ATOM 210 C LYS A 16 2.142 11.043 -0.815 1.00 0.00 C ATOM 211 O LYS A 16 0.989 11.176 -1.228 1.00 0.00 O ATOM 212 CB LYS A 16 2.740 13.438 -1.249 1.00 0.00 C ATOM 213 CG LYS A 16 3.918 14.435 -1.548 1.00 0.00 C ATOM 214 CD LYS A 16 4.746 14.726 -0.250 1.00 0.00 C ATOM 215 CE LYS A 16 6.004 15.535 -0.584 1.00 0.00 C ATOM 216 NZ LYS A 16 6.707 15.878 0.681 1.00 0.00 N ATOM 0 H LYS A 16 3.262 12.311 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 16 4.108 11.858 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.943 13.580 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.316 13.653 -0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.570 14.015 -2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.518 15.368 -1.946 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.132 15.275 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.027 13.787 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.661 14.959 -1.236 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.736 16.443 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.628 16.308 0.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.132 16.552 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.853 15.015 1.242 1.00 0.00 H new ATOM 230 N LEU A 17 2.515 10.121 0.073 1.00 0.00 N ATOM 231 CA LEU A 17 1.577 9.150 0.631 1.00 0.00 C ATOM 232 C LEU A 17 2.016 8.785 2.034 1.00 0.00 C ATOM 233 O LEU A 17 3.175 8.478 2.260 1.00 0.00 O ATOM 234 CB LEU A 17 1.555 7.873 -0.280 1.00 0.00 C ATOM 235 CG LEU A 17 0.495 7.987 -1.434 1.00 0.00 C ATOM 236 CD1 LEU A 17 0.711 6.847 -2.463 1.00 0.00 C ATOM 237 CD2 LEU A 17 -0.975 7.976 -0.841 1.00 0.00 C ATOM 0 H LEU A 17 3.469 10.027 0.423 1.00 0.00 H new ATOM 0 HA LEU A 17 0.575 9.576 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.544 7.719 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.333 6.997 0.330 1.00 0.00 H new ATOM 0 HG LEU A 17 0.627 8.936 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.027 6.932 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.713 6.924 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.600 5.883 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.696 8.056 -1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.142 7.045 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.100 8.819 -0.162 1.00 0.00 H new ATOM 249 N ASN A 18 1.046 8.773 2.947 1.00 0.00 N ATOM 250 CA ASN A 18 1.251 8.413 4.341 1.00 0.00 C ATOM 251 C ASN A 18 0.150 7.440 4.732 1.00 0.00 C ATOM 252 O ASN A 18 -0.963 7.559 4.251 1.00 0.00 O ATOM 253 CB ASN A 18 1.158 9.696 5.197 1.00 0.00 C ATOM 254 CG ASN A 18 1.163 9.351 6.690 1.00 0.00 C ATOM 255 OD1 ASN A 18 2.210 9.051 7.259 1.00 0.00 O ATOM 256 ND2 ASN A 18 0.034 9.346 7.337 1.00 0.00 N ATOM 0 H ASN A 18 0.080 9.018 2.730 1.00 0.00 H new ATOM 0 HA ASN A 18 2.226 7.951 4.496 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.996 10.354 4.968 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.248 10.241 4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.013 9.092 8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.830 9.596 6.857 1.00 0.00 H new ATOM 263 N PHE A 19 0.502 6.454 5.565 1.00 0.00 N ATOM 264 CA PHE A 19 -0.424 5.407 6.039 1.00 0.00 C ATOM 265 C PHE A 19 -1.868 5.913 6.215 1.00 0.00 C ATOM 266 O PHE A 19 -2.826 5.159 6.054 1.00 0.00 O ATOM 267 CB PHE A 19 0.103 4.886 7.395 1.00 0.00 C ATOM 268 CG PHE A 19 0.085 6.024 8.442 1.00 0.00 C ATOM 269 CD1 PHE A 19 -1.093 6.298 9.171 1.00 0.00 C ATOM 270 CD2 PHE A 19 1.235 6.814 8.663 1.00 0.00 C ATOM 271 CE1 PHE A 19 -1.116 7.341 10.103 1.00 0.00 C ATOM 272 CE2 PHE A 19 1.208 7.851 9.600 1.00 0.00 C ATOM 273 CZ PHE A 19 0.035 8.116 10.320 1.00 0.00 C ATOM 0 H PHE A 19 1.447 6.355 5.936 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.459 4.620 5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.513 4.055 7.739 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.117 4.504 7.278 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.978 5.701 9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.139 6.616 8.106 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.020 7.550 10.656 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.092 8.448 9.769 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.016 8.918 11.043 1.00 0.00 H new ATOM 283 N ASP A 20 -1.994 7.213 6.555 1.00 0.00 N ATOM 284 CA ASP A 20 -3.310 7.818 6.763 1.00 0.00 C ATOM 285 C ASP A 20 -4.008 7.987 5.424 1.00 0.00 C ATOM 286 O ASP A 20 -5.163 7.657 5.269 1.00 0.00 O ATOM 287 CB ASP A 20 -3.106 9.201 7.440 1.00 0.00 C ATOM 288 CG ASP A 20 -4.439 9.796 7.901 1.00 0.00 C ATOM 289 OD1 ASP A 20 -5.100 9.158 8.700 1.00 0.00 O ATOM 290 OD2 ASP A 20 -4.781 10.879 7.444 1.00 0.00 O ATOM 0 H ASP A 20 -1.208 7.849 6.688 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.927 7.182 7.398 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.438 9.095 8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.623 9.883 6.740 1.00 0.00 H new ATOM 295 N GLU A 21 -3.265 8.496 4.449 1.00 0.00 N ATOM 296 CA GLU A 21 -3.805 8.724 3.100 1.00 0.00 C ATOM 297 C GLU A 21 -4.299 7.394 2.518 1.00 0.00 C ATOM 298 O GLU A 21 -5.340 7.334 1.874 1.00 0.00 O ATOM 299 CB GLU A 21 -2.707 9.352 2.188 1.00 0.00 C ATOM 300 CG GLU A 21 -2.253 10.744 2.721 1.00 0.00 C ATOM 301 CD GLU A 21 -3.399 11.770 2.661 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.955 11.944 1.588 1.00 0.00 O ATOM 303 OE2 GLU A 21 -3.711 12.353 3.689 1.00 0.00 O ATOM 0 H GLU A 21 -2.286 8.761 4.560 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.644 9.418 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.848 8.683 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.091 9.457 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.904 10.646 3.749 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.410 11.104 2.131 1.00 0.00 H new ATOM 310 N LEU A 22 -3.561 6.324 2.803 1.00 0.00 N ATOM 311 CA LEU A 22 -3.947 4.973 2.342 1.00 0.00 C ATOM 312 C LEU A 22 -5.089 4.428 3.143 1.00 0.00 C ATOM 313 O LEU A 22 -6.060 3.932 2.601 1.00 0.00 O ATOM 314 CB LEU A 22 -2.716 4.043 2.492 1.00 0.00 C ATOM 315 CG LEU A 22 -1.489 4.662 1.765 1.00 0.00 C ATOM 316 CD1 LEU A 22 -0.246 3.763 1.960 1.00 0.00 C ATOM 317 CD2 LEU A 22 -1.785 4.846 0.240 1.00 0.00 C ATOM 0 H LEU A 22 -2.698 6.354 3.346 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.270 5.028 1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.487 3.896 3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.939 3.061 2.075 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.290 5.642 2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.608 4.206 1.447 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.024 3.675 3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.444 2.774 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.914 5.280 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.007 3.877 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.641 5.509 0.113 1.00 0.00 H new ATOM 329 N ARG A 23 -4.965 4.518 4.449 1.00 0.00 N ATOM 330 CA ARG A 23 -6.018 3.996 5.317 1.00 0.00 C ATOM 331 C ARG A 23 -7.340 4.719 5.070 1.00 0.00 C ATOM 332 O ARG A 23 -8.376 4.092 4.887 1.00 0.00 O ATOM 333 CB ARG A 23 -5.598 4.127 6.791 1.00 0.00 C ATOM 334 CG ARG A 23 -6.811 3.787 7.735 1.00 0.00 C ATOM 335 CD ARG A 23 -6.316 3.430 9.127 1.00 0.00 C ATOM 336 NE ARG A 23 -5.614 4.580 9.711 1.00 0.00 N ATOM 337 CZ ARG A 23 -5.034 4.529 10.918 1.00 0.00 C ATOM 338 NH1 ARG A 23 -5.089 3.435 11.635 1.00 0.00 N ATOM 339 NH2 ARG A 23 -4.410 5.575 11.379 1.00 0.00 N ATOM 0 H ARG A 23 -4.170 4.935 4.932 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.165 2.941 5.084 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.766 3.455 7.000 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.247 5.140 6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.487 4.640 7.790 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.381 2.955 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.156 3.144 9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.648 2.570 9.077 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.566 5.449 9.179 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.576 2.614 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.645 3.404 12.553 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.364 6.428 10.822 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.967 5.541 12.297 1.00 0.00 H new ATOM 353 N GLN A 24 -7.288 6.034 5.123 1.00 0.00 N ATOM 354 CA GLN A 24 -8.480 6.871 4.976 1.00 0.00 C ATOM 355 C GLN A 24 -9.174 6.623 3.668 1.00 0.00 C ATOM 356 O GLN A 24 -10.405 6.513 3.624 1.00 0.00 O ATOM 357 CB GLN A 24 -8.049 8.355 5.063 1.00 0.00 C ATOM 358 CG GLN A 24 -7.464 8.648 6.485 1.00 0.00 C ATOM 359 CD GLN A 24 -8.567 9.013 7.494 1.00 0.00 C ATOM 360 OE1 GLN A 24 -9.320 9.961 7.267 1.00 0.00 O ATOM 361 NE2 GLN A 24 -8.699 8.318 8.588 1.00 0.00 N ATOM 0 H GLN A 24 -6.426 6.559 5.268 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.182 6.624 5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.302 8.573 4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.903 9.004 4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.921 7.773 6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.745 9.465 6.421 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.074 7.534 8.773 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.428 8.558 9.260 1.00 0.00 H new ATOM 370 N ASP A 25 -8.395 6.434 2.604 1.00 0.00 N ATOM 371 CA ASP A 25 -8.936 6.085 1.309 1.00 0.00 C ATOM 372 C ASP A 25 -9.437 4.636 1.293 1.00 0.00 C ATOM 373 O ASP A 25 -10.544 4.355 0.846 1.00 0.00 O ATOM 374 CB ASP A 25 -7.800 6.273 0.273 1.00 0.00 C ATOM 375 CG ASP A 25 -7.446 7.760 0.121 1.00 0.00 C ATOM 376 OD1 ASP A 25 -7.472 8.463 1.124 1.00 0.00 O ATOM 377 OD2 ASP A 25 -7.152 8.173 -0.986 1.00 0.00 O ATOM 0 H ASP A 25 -7.379 6.520 2.624 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.789 6.721 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.918 5.714 0.587 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.108 5.867 -0.690 1.00 0.00 H new ATOM 382 N LEU A 26 -8.568 3.724 1.782 1.00 0.00 N ATOM 383 CA LEU A 26 -8.873 2.258 1.781 1.00 0.00 C ATOM 384 C LEU A 26 -10.067 1.925 2.654 1.00 0.00 C ATOM 385 O LEU A 26 -10.824 0.989 2.343 1.00 0.00 O ATOM 386 CB LEU A 26 -7.646 1.418 2.215 1.00 0.00 C ATOM 387 CG LEU A 26 -6.472 1.478 1.150 1.00 0.00 C ATOM 388 CD1 LEU A 26 -5.142 1.021 1.817 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.770 0.546 -0.068 1.00 0.00 C ATOM 0 H LEU A 26 -7.659 3.963 2.179 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.123 1.997 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.281 1.780 3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.950 0.381 2.360 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.387 2.505 0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.335 1.062 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.908 1.681 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.250 -0.001 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.949 0.607 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.875 -0.482 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.695 0.862 -0.551 1.00 0.00 H new ATOM 401 N LYS A 27 -10.254 2.691 3.729 1.00 0.00 N ATOM 402 CA LYS A 27 -11.398 2.457 4.602 1.00 0.00 C ATOM 403 C LYS A 27 -12.710 2.491 3.776 1.00 0.00 C ATOM 404 O LYS A 27 -13.582 1.640 3.941 1.00 0.00 O ATOM 405 CB LYS A 27 -11.387 3.547 5.675 1.00 0.00 C ATOM 406 CG LYS A 27 -12.544 3.343 6.697 1.00 0.00 C ATOM 407 CD LYS A 27 -12.385 4.314 7.901 1.00 0.00 C ATOM 408 CE LYS A 27 -12.404 5.804 7.454 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.653 6.644 8.650 1.00 0.00 N ATOM 0 H LYS A 27 -9.644 3.459 4.009 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.339 1.476 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.431 3.537 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.482 4.525 5.204 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.503 3.514 6.208 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.546 2.312 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.189 4.140 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.448 4.102 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.455 6.074 6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.181 5.967 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.670 7.646 8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.568 6.386 9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.896 6.490 9.346 1.00 0.00 H new ATOM 423 N GLY A 28 -12.826 3.489 2.891 1.00 0.00 N ATOM 424 CA GLY A 28 -14.014 3.641 2.036 1.00 0.00 C ATOM 425 C GLY A 28 -14.188 2.453 1.089 1.00 0.00 C ATOM 426 O GLY A 28 -15.311 2.077 0.747 1.00 0.00 O ATOM 0 H GLY A 28 -12.113 4.204 2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.901 3.740 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.929 4.559 1.455 1.00 0.00 H new ATOM 430 N LYS A 29 -13.066 1.876 0.648 1.00 0.00 N ATOM 431 CA LYS A 29 -13.068 0.737 -0.288 1.00 0.00 C ATOM 432 C LYS A 29 -13.579 -0.541 0.381 1.00 0.00 C ATOM 433 O LYS A 29 -13.643 -1.601 -0.246 1.00 0.00 O ATOM 434 CB LYS A 29 -11.625 0.523 -0.826 1.00 0.00 C ATOM 435 CG LYS A 29 -11.016 1.821 -1.437 1.00 0.00 C ATOM 436 CD LYS A 29 -11.763 2.232 -2.738 1.00 0.00 C ATOM 437 CE LYS A 29 -11.133 3.482 -3.365 1.00 0.00 C ATOM 438 NZ LYS A 29 -11.867 3.782 -4.623 1.00 0.00 N ATOM 0 H LYS A 29 -12.133 2.180 0.925 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.744 0.964 -1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.987 0.173 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.636 -0.261 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.074 2.631 -0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.960 1.663 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.735 1.409 -3.453 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.812 2.423 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.194 4.326 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.076 3.314 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.459 4.628 -5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.787 2.974 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.870 3.954 -4.407 1.00 0.00 H new ATOM 452 N GLY A 30 -13.993 -0.410 1.628 1.00 0.00 N ATOM 453 CA GLY A 30 -14.576 -1.524 2.383 1.00 0.00 C ATOM 454 C GLY A 30 -13.520 -2.548 2.730 1.00 0.00 C ATOM 455 O GLY A 30 -13.847 -3.699 3.036 1.00 0.00 O ATOM 0 H GLY A 30 -13.939 0.464 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.038 -1.148 3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.365 -1.994 1.796 1.00 0.00 H new ATOM 459 N HIS A 31 -12.239 -2.143 2.686 1.00 0.00 N ATOM 460 CA HIS A 31 -11.129 -3.054 3.003 1.00 0.00 C ATOM 461 C HIS A 31 -11.158 -3.403 4.484 1.00 0.00 C ATOM 462 O HIS A 31 -11.831 -2.739 5.273 1.00 0.00 O ATOM 463 CB HIS A 31 -9.779 -2.419 2.594 1.00 0.00 C ATOM 464 CG HIS A 31 -9.629 -2.467 1.099 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.713 -2.350 0.259 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.544 -2.680 0.291 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.270 -2.498 -0.989 1.00 0.00 C ATOM 468 NE2 HIS A 31 -8.949 -2.696 -1.033 1.00 0.00 N ATOM 0 H HIS A 31 -11.949 -1.198 2.436 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.243 -3.977 2.434 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.732 -1.387 2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.956 -2.953 3.069 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -11.679 -2.181 0.540 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.529 -2.815 0.634 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.904 -2.462 -1.863 1.00 0.00 H new ATOM 476 N THR A 32 -10.453 -4.488 4.838 1.00 0.00 N ATOM 477 CA THR A 32 -10.428 -4.981 6.220 1.00 0.00 C ATOM 478 C THR A 32 -9.279 -4.354 6.965 1.00 0.00 C ATOM 479 O THR A 32 -8.319 -3.899 6.360 1.00 0.00 O ATOM 480 CB THR A 32 -10.300 -6.518 6.210 1.00 0.00 C ATOM 481 OG1 THR A 32 -9.054 -6.867 5.637 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.439 -7.148 5.367 1.00 0.00 C ATOM 0 H THR A 32 -9.894 -5.039 4.186 1.00 0.00 H new ATOM 0 HA THR A 32 -11.354 -4.708 6.727 1.00 0.00 H new ATOM 0 HB THR A 32 -10.368 -6.891 7.232 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.738 -7.708 6.028 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.336 -8.233 5.369 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.403 -6.874 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.380 -6.780 4.343 1.00 0.00 H new ATOM 490 N ASP A 33 -9.367 -4.350 8.294 1.00 0.00 N ATOM 491 CA ASP A 33 -8.315 -3.775 9.133 1.00 0.00 C ATOM 492 C ASP A 33 -6.993 -4.508 8.908 1.00 0.00 C ATOM 493 O ASP A 33 -5.948 -3.874 8.795 1.00 0.00 O ATOM 494 CB ASP A 33 -8.741 -3.865 10.616 1.00 0.00 C ATOM 495 CG ASP A 33 -8.995 -5.329 11.002 1.00 0.00 C ATOM 496 OD1 ASP A 33 -9.693 -6.001 10.263 1.00 0.00 O ATOM 497 OD2 ASP A 33 -8.475 -5.755 12.023 1.00 0.00 O ATOM 0 H ASP A 33 -10.155 -4.738 8.813 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.169 -2.729 8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.964 -3.442 11.252 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.643 -3.275 10.780 1.00 0.00 H new ATOM 502 N ALA A 34 -7.062 -5.853 8.864 1.00 0.00 N ATOM 503 CA ALA A 34 -5.858 -6.676 8.676 1.00 0.00 C ATOM 504 C ALA A 34 -5.176 -6.306 7.355 1.00 0.00 C ATOM 505 O ALA A 34 -3.950 -6.186 7.295 1.00 0.00 O ATOM 506 CB ALA A 34 -6.240 -8.173 8.677 1.00 0.00 C ATOM 0 H ALA A 34 -7.928 -6.384 8.955 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.164 -6.489 9.496 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.344 -8.777 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.706 -8.429 9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.941 -8.370 7.866 1.00 0.00 H new ATOM 512 N GLU A 35 -5.948 -6.196 6.267 1.00 0.00 N ATOM 513 CA GLU A 35 -5.370 -5.884 4.953 1.00 0.00 C ATOM 514 C GLU A 35 -4.836 -4.458 4.928 1.00 0.00 C ATOM 515 O GLU A 35 -3.765 -4.198 4.386 1.00 0.00 O ATOM 516 CB GLU A 35 -6.481 -6.061 3.876 1.00 0.00 C ATOM 517 CG GLU A 35 -6.867 -7.564 3.693 1.00 0.00 C ATOM 518 CD GLU A 35 -5.721 -8.345 3.029 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.279 -7.918 1.975 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.300 -9.346 3.589 1.00 0.00 O ATOM 0 H GLU A 35 -6.961 -6.316 6.268 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.537 -6.556 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.364 -5.490 4.165 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.136 -5.655 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.100 -8.005 4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.767 -7.641 3.083 1.00 0.00 H new ATOM 527 N ILE A 36 -5.611 -3.536 5.506 1.00 0.00 N ATOM 528 CA ILE A 36 -5.218 -2.122 5.504 1.00 0.00 C ATOM 529 C ILE A 36 -3.873 -1.922 6.211 1.00 0.00 C ATOM 530 O ILE A 36 -2.986 -1.234 5.687 1.00 0.00 O ATOM 531 CB ILE A 36 -6.330 -1.292 6.251 1.00 0.00 C ATOM 532 CG1 ILE A 36 -7.602 -1.164 5.334 1.00 0.00 C ATOM 533 CG2 ILE A 36 -5.826 0.146 6.651 1.00 0.00 C ATOM 534 CD1 ILE A 36 -8.840 -0.734 6.141 1.00 0.00 C ATOM 0 H ILE A 36 -6.496 -3.735 5.972 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.113 -1.785 4.473 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.578 -1.826 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.411 -0.437 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.798 -2.119 4.847 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.625 0.682 7.163 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.965 0.059 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.539 0.694 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.699 -0.656 5.475 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.046 -1.475 6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.653 0.234 6.607 1.00 0.00 H new ATOM 546 N GLU A 37 -3.765 -2.471 7.435 1.00 0.00 N ATOM 547 CA GLU A 37 -2.577 -2.287 8.250 1.00 0.00 C ATOM 548 C GLU A 37 -1.346 -2.905 7.607 1.00 0.00 C ATOM 549 O GLU A 37 -0.248 -2.351 7.657 1.00 0.00 O ATOM 550 CB GLU A 37 -2.783 -2.859 9.677 1.00 0.00 C ATOM 551 CG GLU A 37 -2.926 -4.397 9.679 1.00 0.00 C ATOM 552 CD GLU A 37 -3.351 -4.921 11.050 1.00 0.00 C ATOM 553 OE1 GLU A 37 -4.521 -4.785 11.372 1.00 0.00 O ATOM 554 OE2 GLU A 37 -2.506 -5.450 11.752 1.00 0.00 O ATOM 0 H GLU A 37 -4.490 -3.042 7.869 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.409 -1.213 8.326 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.939 -2.574 10.305 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.674 -2.413 10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.661 -4.696 8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.977 -4.852 9.393 1.00 0.00 H new ATOM 561 N ALA A 38 -1.544 -4.096 7.050 1.00 0.00 N ATOM 562 CA ALA A 38 -0.462 -4.851 6.439 1.00 0.00 C ATOM 563 C ALA A 38 0.096 -4.146 5.212 1.00 0.00 C ATOM 564 O ALA A 38 1.311 -4.135 4.993 1.00 0.00 O ATOM 565 CB ALA A 38 -1.023 -6.238 6.028 1.00 0.00 C ATOM 0 H ALA A 38 -2.452 -4.559 7.011 1.00 0.00 H new ATOM 0 HA ALA A 38 0.352 -4.949 7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.232 -6.828 5.566 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.393 -6.757 6.912 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.839 -6.105 5.317 1.00 0.00 H new ATOM 571 N ILE A 39 -0.809 -3.662 4.353 1.00 0.00 N ATOM 572 CA ILE A 39 -0.366 -3.079 3.057 1.00 0.00 C ATOM 573 C ILE A 39 0.514 -1.867 3.272 1.00 0.00 C ATOM 574 O ILE A 39 1.553 -1.729 2.632 1.00 0.00 O ATOM 575 CB ILE A 39 -1.665 -2.635 2.186 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.034 -3.718 1.095 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.453 -1.260 1.446 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.578 -5.006 1.747 1.00 0.00 C ATOM 0 H ILE A 39 -1.817 -3.655 4.511 1.00 0.00 H new ATOM 0 HA ILE A 39 0.207 -3.839 2.526 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.475 -2.536 2.908 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.779 -3.310 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.152 -3.953 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.350 -1.010 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.258 -0.478 2.180 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.605 -1.340 0.766 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.823 -5.731 0.971 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.822 -5.426 2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.475 -4.772 2.321 1.00 0.00 H new ATOM 590 N PHE A 40 0.080 -0.974 4.149 1.00 0.00 N ATOM 591 CA PHE A 40 0.839 0.249 4.412 1.00 0.00 C ATOM 592 C PHE A 40 2.153 -0.095 5.086 1.00 0.00 C ATOM 593 O PHE A 40 3.170 0.518 4.845 1.00 0.00 O ATOM 594 CB PHE A 40 -0.012 1.284 5.222 1.00 0.00 C ATOM 595 CG PHE A 40 0.327 1.208 6.720 1.00 0.00 C ATOM 596 CD1 PHE A 40 1.472 1.856 7.205 1.00 0.00 C ATOM 597 CD2 PHE A 40 -0.446 0.453 7.579 1.00 0.00 C ATOM 598 CE1 PHE A 40 1.817 1.752 8.541 1.00 0.00 C ATOM 599 CE2 PHE A 40 -0.101 0.333 8.932 1.00 0.00 C ATOM 600 CZ PHE A 40 1.034 0.991 9.415 1.00 0.00 C ATOM 0 H PHE A 40 -0.782 -1.067 4.687 1.00 0.00 H new ATOM 0 HA PHE A 40 1.076 0.735 3.466 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.180 2.291 4.851 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.074 1.086 5.073 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.086 2.438 6.534 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.325 -0.050 7.205 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.695 2.261 8.911 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.708 -0.264 9.597 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.305 0.912 10.458 1.00 0.00 H new ATOM 610 N THR A 41 2.063 -1.044 6.026 1.00 0.00 N ATOM 611 CA THR A 41 3.196 -1.436 6.844 1.00 0.00 C ATOM 612 C THR A 41 4.339 -1.918 5.969 1.00 0.00 C ATOM 613 O THR A 41 5.505 -1.614 6.228 1.00 0.00 O ATOM 614 CB THR A 41 2.726 -2.536 7.835 1.00 0.00 C ATOM 615 OG1 THR A 41 1.942 -1.931 8.850 1.00 0.00 O ATOM 616 CG2 THR A 41 3.914 -3.256 8.505 1.00 0.00 C ATOM 0 H THR A 41 1.204 -1.554 6.233 1.00 0.00 H new ATOM 0 HA THR A 41 3.569 -0.583 7.411 1.00 0.00 H new ATOM 0 HB THR A 41 2.153 -3.272 7.271 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.080 -1.653 8.476 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.539 -4.017 9.190 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.531 -3.728 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.512 -2.533 9.059 1.00 0.00 H new ATOM 624 N LYS A 42 3.995 -2.693 4.951 1.00 0.00 N ATOM 625 CA LYS A 42 5.005 -3.233 4.046 1.00 0.00 C ATOM 626 C LYS A 42 5.641 -2.109 3.242 1.00 0.00 C ATOM 627 O LYS A 42 6.870 -2.056 3.119 1.00 0.00 O ATOM 628 CB LYS A 42 4.279 -4.241 3.103 1.00 0.00 C ATOM 629 CG LYS A 42 3.885 -5.552 3.871 1.00 0.00 C ATOM 630 CD LYS A 42 5.100 -6.531 3.958 1.00 0.00 C ATOM 631 CE LYS A 42 4.714 -7.770 4.784 1.00 0.00 C ATOM 632 NZ LYS A 42 3.542 -8.423 4.147 1.00 0.00 N ATOM 0 H LYS A 42 3.036 -2.961 4.730 1.00 0.00 H new ATOM 0 HA LYS A 42 5.801 -3.731 4.599 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.384 -3.776 2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.928 -4.489 2.263 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.542 -5.301 4.875 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.054 -6.041 3.362 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.408 -6.832 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.952 -6.028 4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.552 -8.465 4.836 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.475 -7.482 5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.467 -9.405 4.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.676 -7.904 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.661 -8.418 3.114 1.00 0.00 H new ATOM 646 N TYR A 43 4.808 -1.243 2.652 1.00 0.00 N ATOM 647 CA TYR A 43 5.347 -0.163 1.816 1.00 0.00 C ATOM 648 C TYR A 43 6.011 0.882 2.687 1.00 0.00 C ATOM 649 O TYR A 43 6.986 1.496 2.258 1.00 0.00 O ATOM 650 CB TYR A 43 4.203 0.496 0.991 1.00 0.00 C ATOM 651 CG TYR A 43 3.827 -0.354 -0.233 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.361 -1.667 -0.060 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.963 0.165 -1.547 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.039 -2.439 -1.164 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.635 -0.622 -2.640 1.00 0.00 C ATOM 656 CZ TYR A 43 3.180 -1.918 -2.443 1.00 0.00 C ATOM 657 OH TYR A 43 2.855 -2.689 -3.517 1.00 0.00 O ATOM 0 H TYR A 43 3.791 -1.265 2.733 1.00 0.00 H new ATOM 0 HA TYR A 43 6.085 -0.583 1.132 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.327 0.630 1.625 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.514 1.488 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.254 -2.075 0.934 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.322 1.173 -1.695 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.678 -3.448 -1.030 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.733 -0.228 -3.641 1.00 0.00 H new ATOM 0 HH TYR A 43 2.261 -2.186 -4.113 1.00 0.00 H new ATOM 667 N ASP A 44 5.497 1.081 3.907 1.00 0.00 N ATOM 668 CA ASP A 44 6.049 2.086 4.853 1.00 0.00 C ATOM 669 C ASP A 44 6.774 1.377 6.003 1.00 0.00 C ATOM 670 O ASP A 44 6.144 0.728 6.839 1.00 0.00 O ATOM 671 CB ASP A 44 4.868 2.977 5.395 1.00 0.00 C ATOM 672 CG ASP A 44 5.268 4.467 5.398 1.00 0.00 C ATOM 673 OD1 ASP A 44 6.361 4.757 5.858 1.00 0.00 O ATOM 674 OD2 ASP A 44 4.482 5.282 4.942 1.00 0.00 O ATOM 0 H ASP A 44 4.698 0.563 4.272 1.00 0.00 H new ATOM 0 HA ASP A 44 6.771 2.724 4.343 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.983 2.834 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.603 2.664 6.405 1.00 0.00 H new ATOM 679 N GLN A 45 8.104 1.465 5.998 1.00 0.00 N ATOM 680 CA GLN A 45 8.919 0.785 7.003 1.00 0.00 C ATOM 681 C GLN A 45 8.638 1.314 8.406 1.00 0.00 C ATOM 682 O GLN A 45 8.396 0.513 9.319 1.00 0.00 O ATOM 683 CB GLN A 45 10.424 1.005 6.649 1.00 0.00 C ATOM 684 CG GLN A 45 10.841 0.189 5.384 1.00 0.00 C ATOM 685 CD GLN A 45 10.030 0.608 4.162 1.00 0.00 C ATOM 686 OE1 GLN A 45 10.459 1.475 3.406 1.00 0.00 O ATOM 687 NE2 GLN A 45 8.867 0.050 3.938 1.00 0.00 N ATOM 0 H GLN A 45 8.638 1.998 5.312 1.00 0.00 H new ATOM 0 HA GLN A 45 8.672 -0.277 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.607 2.065 6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 45 11.045 0.709 7.495 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.903 0.337 5.187 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.697 -0.875 5.571 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.516 -0.670 4.570 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.311 0.335 3.131 1.00 0.00 H new ATOM 696 N ASP A 46 8.671 2.654 8.606 1.00 0.00 N ATOM 697 CA ASP A 46 8.421 3.256 9.933 1.00 0.00 C ATOM 698 C ASP A 46 7.035 3.897 10.007 1.00 0.00 C ATOM 699 O ASP A 46 6.654 4.416 11.059 1.00 0.00 O ATOM 700 CB ASP A 46 9.517 4.329 10.160 1.00 0.00 C ATOM 701 CG ASP A 46 10.910 3.691 10.053 1.00 0.00 C ATOM 702 OD1 ASP A 46 11.074 2.590 10.558 1.00 0.00 O ATOM 703 OD2 ASP A 46 11.788 4.306 9.467 1.00 0.00 O ATOM 0 H ASP A 46 8.867 3.332 7.869 1.00 0.00 H new ATOM 0 HA ASP A 46 8.455 2.485 10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.416 5.125 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.392 4.786 11.142 1.00 0.00 H new ATOM 708 N GLY A 47 6.279 3.870 8.898 1.00 0.00 N ATOM 709 CA GLY A 47 4.931 4.472 8.880 1.00 0.00 C ATOM 710 C GLY A 47 4.922 5.903 9.394 1.00 0.00 C ATOM 711 O GLY A 47 3.891 6.386 9.853 1.00 0.00 O ATOM 0 H GLY A 47 6.568 3.447 8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.543 4.453 7.862 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.259 3.867 9.489 1.00 0.00 H new ATOM 715 N ASP A 48 6.089 6.567 9.337 1.00 0.00 N ATOM 716 CA ASP A 48 6.248 7.955 9.833 1.00 0.00 C ATOM 717 C ASP A 48 6.649 8.914 8.713 1.00 0.00 C ATOM 718 O ASP A 48 6.608 10.131 8.900 1.00 0.00 O ATOM 719 CB ASP A 48 7.341 7.957 10.927 1.00 0.00 C ATOM 720 CG ASP A 48 7.441 9.334 11.604 1.00 0.00 C ATOM 721 OD1 ASP A 48 6.401 9.881 11.931 1.00 0.00 O ATOM 722 OD2 ASP A 48 8.547 9.822 11.767 1.00 0.00 O ATOM 0 H ASP A 48 6.944 6.166 8.951 1.00 0.00 H new ATOM 0 HA ASP A 48 5.293 8.296 10.232 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.114 7.196 11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.302 7.694 10.486 1.00 0.00 H new ATOM 727 N GLN A 49 7.077 8.357 7.582 1.00 0.00 N ATOM 728 CA GLN A 49 7.545 9.147 6.425 1.00 0.00 C ATOM 729 C GLN A 49 6.735 8.806 5.182 1.00 0.00 C ATOM 730 O GLN A 49 5.985 7.833 5.150 1.00 0.00 O ATOM 731 CB GLN A 49 9.067 8.860 6.203 1.00 0.00 C ATOM 732 CG GLN A 49 9.362 7.329 6.010 1.00 0.00 C ATOM 733 CD GLN A 49 9.047 6.862 4.585 1.00 0.00 C ATOM 734 OE1 GLN A 49 9.870 7.030 3.685 1.00 0.00 O ATOM 735 NE2 GLN A 49 7.909 6.281 4.331 1.00 0.00 N ATOM 0 H GLN A 49 7.113 7.349 7.433 1.00 0.00 H new ATOM 0 HA GLN A 49 7.405 10.210 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.414 9.408 5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.633 9.232 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.410 7.130 6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.769 6.753 6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.229 6.143 5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.698 5.964 3.385 1.00 0.00 H new ATOM 744 N GLU A 50 6.911 9.639 4.158 1.00 0.00 N ATOM 745 CA GLU A 50 6.248 9.527 2.866 1.00 0.00 C ATOM 746 C GLU A 50 6.883 8.402 2.066 1.00 0.00 C ATOM 747 O GLU A 50 8.053 8.081 2.272 1.00 0.00 O ATOM 748 CB GLU A 50 6.325 10.864 2.086 1.00 0.00 C ATOM 749 CG GLU A 50 7.806 11.281 1.843 1.00 0.00 C ATOM 750 CD GLU A 50 7.863 12.610 1.098 1.00 0.00 C ATOM 751 OE1 GLU A 50 7.194 13.526 1.536 1.00 0.00 O ATOM 752 OE2 GLU A 50 8.566 12.693 0.103 1.00 0.00 O ATOM 0 H GLU A 50 7.543 10.438 4.210 1.00 0.00 H new ATOM 0 HA GLU A 50 5.195 9.300 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.810 10.763 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.810 11.646 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.328 11.367 2.796 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.319 10.511 1.267 1.00 0.00 H new ATOM 759 N LEU A 51 6.093 7.761 1.212 1.00 0.00 N ATOM 760 CA LEU A 51 6.584 6.607 0.457 1.00 0.00 C ATOM 761 C LEU A 51 7.220 7.047 -0.860 1.00 0.00 C ATOM 762 O LEU A 51 6.598 7.704 -1.687 1.00 0.00 O ATOM 763 CB LEU A 51 5.360 5.722 0.103 1.00 0.00 C ATOM 764 CG LEU A 51 4.671 5.156 1.383 1.00 0.00 C ATOM 765 CD1 LEU A 51 3.373 4.403 0.986 1.00 0.00 C ATOM 766 CD2 LEU A 51 5.635 4.201 2.153 1.00 0.00 C ATOM 0 H LEU A 51 5.123 8.014 1.024 1.00 0.00 H new ATOM 0 HA LEU A 51 7.324 6.078 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.641 6.307 -0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.679 4.897 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 51 4.418 5.987 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.893 4.008 1.881 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.693 5.090 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.620 3.581 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.134 3.818 3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.915 3.369 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.530 4.748 2.448 1.00 0.00 H new ATOM 778 N THR A 52 8.516 6.702 -0.991 1.00 0.00 N ATOM 779 CA THR A 52 9.308 7.072 -2.133 1.00 0.00 C ATOM 780 C THR A 52 8.970 6.134 -3.255 1.00 0.00 C ATOM 781 O THR A 52 8.302 5.125 -3.061 1.00 0.00 O ATOM 782 CB THR A 52 10.819 7.007 -1.763 1.00 0.00 C ATOM 783 OG1 THR A 52 11.050 7.847 -0.642 1.00 0.00 O ATOM 784 CG2 THR A 52 11.727 7.481 -2.937 1.00 0.00 C ATOM 0 H THR A 52 9.025 6.158 -0.295 1.00 0.00 H new ATOM 0 HA THR A 52 9.093 8.093 -2.447 1.00 0.00 H new ATOM 0 HB THR A 52 11.068 5.970 -1.540 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.999 7.813 -0.398 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.773 7.419 -2.636 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.561 6.843 -3.805 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.483 8.512 -3.192 1.00 0.00 H new ATOM 792 N GLU A 53 9.447 6.508 -4.418 1.00 0.00 N ATOM 793 CA GLU A 53 9.208 5.754 -5.620 1.00 0.00 C ATOM 794 C GLU A 53 9.973 4.439 -5.580 1.00 0.00 C ATOM 795 O GLU A 53 9.423 3.401 -5.860 1.00 0.00 O ATOM 796 CB GLU A 53 9.631 6.580 -6.853 1.00 0.00 C ATOM 797 CG GLU A 53 8.826 7.907 -6.922 1.00 0.00 C ATOM 798 CD GLU A 53 9.220 8.728 -8.162 1.00 0.00 C ATOM 799 OE1 GLU A 53 9.941 8.210 -9.005 1.00 0.00 O ATOM 800 OE2 GLU A 53 8.784 9.860 -8.252 1.00 0.00 O ATOM 0 H GLU A 53 10.013 7.346 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 53 8.143 5.534 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.698 6.797 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.465 6.000 -7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.759 7.688 -6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.007 8.493 -6.021 1.00 0.00 H new ATOM 807 N HIS A 54 11.273 4.513 -5.313 1.00 0.00 N ATOM 808 CA HIS A 54 12.116 3.293 -5.395 1.00 0.00 C ATOM 809 C HIS A 54 11.518 2.199 -4.528 1.00 0.00 C ATOM 810 O HIS A 54 11.306 1.083 -5.006 1.00 0.00 O ATOM 811 CB HIS A 54 13.551 3.614 -4.918 1.00 0.00 C ATOM 812 CG HIS A 54 14.140 4.699 -5.781 1.00 0.00 C ATOM 813 ND1 HIS A 54 14.582 4.454 -7.071 1.00 0.00 N ATOM 814 CD2 HIS A 54 14.353 6.036 -5.560 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.033 5.614 -7.572 1.00 0.00 C ATOM 816 NE2 HIS A 54 14.916 6.612 -6.692 1.00 0.00 N ATOM 0 H HIS A 54 11.766 5.365 -5.046 1.00 0.00 H new ATOM 0 HA HIS A 54 12.153 2.951 -6.429 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.536 3.933 -3.876 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.171 2.719 -4.969 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.119 6.561 -4.646 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.441 5.727 -8.566 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.183 7.588 -6.823 1.00 0.00 H new ATOM 824 N GLU A 55 11.205 2.514 -3.270 1.00 0.00 N ATOM 825 CA GLU A 55 10.600 1.535 -2.377 1.00 0.00 C ATOM 826 C GLU A 55 9.234 1.098 -2.915 1.00 0.00 C ATOM 827 O GLU A 55 8.956 -0.087 -3.027 1.00 0.00 O ATOM 828 CB GLU A 55 10.431 2.180 -0.969 1.00 0.00 C ATOM 829 CG GLU A 55 9.972 1.129 0.091 1.00 0.00 C ATOM 830 CD GLU A 55 11.056 0.066 0.328 1.00 0.00 C ATOM 831 OE1 GLU A 55 12.227 0.387 0.170 1.00 0.00 O ATOM 832 OE2 GLU A 55 10.699 -1.058 0.636 1.00 0.00 O ATOM 0 H GLU A 55 11.360 3.432 -2.853 1.00 0.00 H new ATOM 0 HA GLU A 55 11.242 0.656 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.375 2.625 -0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.700 2.987 -1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.742 1.633 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.054 0.647 -0.245 1.00 0.00 H new ATOM 839 N HIS A 56 8.377 2.080 -3.227 1.00 0.00 N ATOM 840 CA HIS A 56 7.023 1.791 -3.715 1.00 0.00 C ATOM 841 C HIS A 56 7.055 0.942 -4.995 1.00 0.00 C ATOM 842 O HIS A 56 6.395 -0.093 -5.059 1.00 0.00 O ATOM 843 CB HIS A 56 6.263 3.119 -3.978 1.00 0.00 C ATOM 844 CG HIS A 56 4.832 2.834 -4.375 1.00 0.00 C ATOM 845 ND1 HIS A 56 4.517 2.164 -5.544 1.00 0.00 N ATOM 846 CD2 HIS A 56 3.642 3.070 -3.742 1.00 0.00 C ATOM 847 CE1 HIS A 56 3.186 2.012 -5.577 1.00 0.00 C ATOM 848 NE2 HIS A 56 2.601 2.549 -4.501 1.00 0.00 N ATOM 0 H HIS A 56 8.595 3.073 -3.151 1.00 0.00 H new ATOM 0 HA HIS A 56 6.503 1.218 -2.947 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.282 3.741 -3.083 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.762 3.681 -4.767 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.529 3.582 -2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.652 1.517 -6.374 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.605 2.571 -4.284 1.00 0.00 H new ATOM 856 N GLN A 57 7.826 1.372 -6.013 1.00 0.00 N ATOM 857 CA GLN A 57 7.908 0.618 -7.275 1.00 0.00 C ATOM 858 C GLN A 57 8.392 -0.808 -7.036 1.00 0.00 C ATOM 859 O GLN A 57 7.976 -1.730 -7.740 1.00 0.00 O ATOM 860 CB GLN A 57 8.854 1.368 -8.270 1.00 0.00 C ATOM 861 CG GLN A 57 8.067 2.393 -9.161 1.00 0.00 C ATOM 862 CD GLN A 57 7.045 3.217 -8.364 1.00 0.00 C ATOM 863 OE1 GLN A 57 5.895 3.352 -8.773 1.00 0.00 O ATOM 864 NE2 GLN A 57 7.404 3.758 -7.249 1.00 0.00 N ATOM 0 H GLN A 57 8.390 2.221 -5.987 1.00 0.00 H new ATOM 0 HA GLN A 57 6.911 0.553 -7.710 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.628 1.892 -7.710 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.358 0.643 -8.909 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.775 3.068 -9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.551 1.854 -9.956 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.360 3.644 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.732 4.299 -6.705 1.00 0.00 H new ATOM 873 N GLN A 58 9.286 -0.982 -6.058 1.00 0.00 N ATOM 874 CA GLN A 58 9.817 -2.314 -5.760 1.00 0.00 C ATOM 875 C GLN A 58 8.692 -3.202 -5.201 1.00 0.00 C ATOM 876 O GLN A 58 8.427 -4.293 -5.720 1.00 0.00 O ATOM 877 CB GLN A 58 10.973 -2.185 -4.734 1.00 0.00 C ATOM 878 CG GLN A 58 11.774 -3.513 -4.647 1.00 0.00 C ATOM 879 CD GLN A 58 12.882 -3.419 -3.605 1.00 0.00 C ATOM 880 OE1 GLN A 58 13.322 -2.324 -3.247 1.00 0.00 O ATOM 881 NE2 GLN A 58 13.354 -4.516 -3.092 1.00 0.00 N ATOM 0 H GLN A 58 9.651 -0.233 -5.470 1.00 0.00 H new ATOM 0 HA GLN A 58 10.203 -2.774 -6.670 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.637 -1.371 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.570 -1.931 -3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.100 -4.331 -4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.205 -3.746 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.986 -5.419 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.092 -4.474 -2.389 1.00 0.00 H new ATOM 890 N MET A 59 8.020 -2.722 -4.132 1.00 0.00 N ATOM 891 CA MET A 59 6.922 -3.466 -3.510 1.00 0.00 C ATOM 892 C MET A 59 5.795 -3.643 -4.505 1.00 0.00 C ATOM 893 O MET A 59 5.098 -4.650 -4.480 1.00 0.00 O ATOM 894 CB MET A 59 6.426 -2.716 -2.256 1.00 0.00 C ATOM 895 CG MET A 59 7.575 -2.512 -1.252 1.00 0.00 C ATOM 896 SD MET A 59 8.117 -4.114 -0.560 1.00 0.00 S ATOM 897 CE MET A 59 9.738 -4.238 -1.360 1.00 0.00 C ATOM 0 H MET A 59 8.223 -1.826 -3.689 1.00 0.00 H new ATOM 0 HA MET A 59 7.277 -4.451 -3.208 1.00 0.00 H new ATOM 0 HB2 MET A 59 6.013 -1.749 -2.544 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.621 -3.279 -1.785 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.413 -2.021 -1.746 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.249 -1.854 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.225 -5.164 -1.054 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.611 -4.236 -2.443 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.355 -3.389 -1.065 1.00 0.00 H new ATOM 907 N ARG A 60 5.597 -2.632 -5.363 1.00 0.00 N ATOM 908 CA ARG A 60 4.498 -2.711 -6.334 1.00 0.00 C ATOM 909 C ARG A 60 4.665 -3.957 -7.221 1.00 0.00 C ATOM 910 O ARG A 60 3.711 -4.720 -7.403 1.00 0.00 O ATOM 911 CB ARG A 60 4.568 -1.450 -7.217 1.00 0.00 C ATOM 912 CG ARG A 60 3.436 -1.450 -8.277 1.00 0.00 C ATOM 913 CD ARG A 60 3.551 -0.230 -9.186 1.00 0.00 C ATOM 914 NE ARG A 60 2.569 -0.342 -10.256 1.00 0.00 N ATOM 915 CZ ARG A 60 2.291 0.680 -11.088 1.00 0.00 C ATOM 916 NH1 ARG A 60 2.899 1.832 -10.940 1.00 0.00 N ATOM 917 NH2 ARG A 60 1.422 0.529 -12.046 1.00 0.00 N ATOM 0 H ARG A 60 6.159 -1.782 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 60 3.541 -2.777 -5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.487 -0.560 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 60 5.537 -1.403 -7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.489 -2.361 -8.873 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.466 -1.450 -7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.383 0.683 -8.614 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.556 -0.164 -9.603 1.00 0.00 H new ATOM 0 HE ARG A 60 2.074 -1.226 -10.380 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.584 1.955 -10.194 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.687 2.605 -11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.949 -0.366 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.215 1.306 -12.674 1.00 0.00 H new ATOM 931 N ASP A 61 5.870 -4.169 -7.759 1.00 0.00 N ATOM 932 CA ASP A 61 6.135 -5.341 -8.613 1.00 0.00 C ATOM 933 C ASP A 61 5.879 -6.626 -7.814 1.00 0.00 C ATOM 934 O ASP A 61 5.271 -7.568 -8.312 1.00 0.00 O ATOM 935 CB ASP A 61 7.606 -5.310 -9.101 1.00 0.00 C ATOM 936 CG ASP A 61 7.891 -6.477 -10.065 1.00 0.00 C ATOM 937 OD1 ASP A 61 7.144 -6.618 -11.019 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.836 -7.213 -9.825 1.00 0.00 O ATOM 0 H ASP A 61 6.672 -3.554 -7.623 1.00 0.00 H new ATOM 0 HA ASP A 61 5.472 -5.316 -9.478 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.807 -4.363 -9.601 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.278 -5.368 -8.245 1.00 0.00 H new ATOM 943 N ASP A 62 6.329 -6.618 -6.553 1.00 0.00 N ATOM 944 CA ASP A 62 6.130 -7.758 -5.649 1.00 0.00 C ATOM 945 C ASP A 62 4.634 -7.970 -5.422 1.00 0.00 C ATOM 946 O ASP A 62 4.169 -9.095 -5.332 1.00 0.00 O ATOM 947 CB ASP A 62 6.823 -7.508 -4.279 1.00 0.00 C ATOM 948 CG ASP A 62 6.751 -8.764 -3.389 1.00 0.00 C ATOM 949 OD1 ASP A 62 7.202 -9.806 -3.839 1.00 0.00 O ATOM 950 OD2 ASP A 62 6.235 -8.668 -2.286 1.00 0.00 O ATOM 0 H ASP A 62 6.833 -5.835 -6.136 1.00 0.00 H new ATOM 0 HA ASP A 62 6.571 -8.643 -6.108 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.865 -7.230 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.344 -6.670 -3.772 1.00 0.00 H new ATOM 955 N LEU A 63 3.894 -6.861 -5.293 1.00 0.00 N ATOM 956 CA LEU A 63 2.451 -6.931 -5.026 1.00 0.00 C ATOM 957 C LEU A 63 1.731 -7.641 -6.169 1.00 0.00 C ATOM 958 O LEU A 63 0.911 -8.528 -5.938 1.00 0.00 O ATOM 959 CB LEU A 63 1.861 -5.483 -4.831 1.00 0.00 C ATOM 960 CG LEU A 63 0.712 -5.453 -3.749 1.00 0.00 C ATOM 961 CD1 LEU A 63 -0.436 -6.433 -4.140 1.00 0.00 C ATOM 962 CD2 LEU A 63 1.278 -5.792 -2.308 1.00 0.00 C ATOM 0 H LEU A 63 4.265 -5.914 -5.368 1.00 0.00 H new ATOM 0 HA LEU A 63 2.297 -7.500 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.659 -4.804 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.473 -5.119 -5.782 1.00 0.00 H new ATOM 0 HG LEU A 63 0.303 -4.443 -3.717 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.218 -6.398 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.852 -6.140 -5.104 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.042 -7.447 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.465 -5.764 -1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.723 -6.787 -2.317 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.036 -5.058 -2.033 1.00 0.00 H new ATOM 974 N GLU A 64 2.046 -7.236 -7.412 1.00 0.00 N ATOM 975 CA GLU A 64 1.414 -7.845 -8.583 1.00 0.00 C ATOM 976 C GLU A 64 1.659 -9.371 -8.585 1.00 0.00 C ATOM 977 O GLU A 64 0.744 -10.165 -8.836 1.00 0.00 O ATOM 978 CB GLU A 64 1.992 -7.190 -9.863 1.00 0.00 C ATOM 979 CG GLU A 64 1.237 -7.687 -11.127 1.00 0.00 C ATOM 980 CD GLU A 64 1.779 -7.033 -12.401 1.00 0.00 C ATOM 981 OE1 GLU A 64 2.421 -5.997 -12.303 1.00 0.00 O ATOM 982 OE2 GLU A 64 1.531 -7.581 -13.459 1.00 0.00 O ATOM 0 H GLU A 64 2.722 -6.503 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 64 0.337 -7.679 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.912 -6.105 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.052 -7.427 -9.951 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.331 -8.770 -11.205 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.174 -7.465 -11.027 1.00 0.00 H new ATOM 989 N LYS A 65 2.900 -9.759 -8.283 1.00 0.00 N ATOM 990 CA LYS A 65 3.295 -11.176 -8.228 1.00 0.00 C ATOM 991 C LYS A 65 2.522 -11.932 -7.142 1.00 0.00 C ATOM 992 O LYS A 65 2.090 -13.069 -7.363 1.00 0.00 O ATOM 993 CB LYS A 65 4.821 -11.255 -7.951 1.00 0.00 C ATOM 994 CG LYS A 65 5.630 -10.792 -9.197 1.00 0.00 C ATOM 995 CD LYS A 65 7.154 -10.862 -8.904 1.00 0.00 C ATOM 996 CE LYS A 65 7.959 -10.420 -10.142 1.00 0.00 C ATOM 997 NZ LYS A 65 9.407 -10.492 -9.821 1.00 0.00 N ATOM 0 H LYS A 65 3.657 -9.109 -8.071 1.00 0.00 H new ATOM 0 HA LYS A 65 3.059 -11.646 -9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.073 -10.630 -7.094 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.096 -12.277 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.387 -11.423 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.350 -9.773 -9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.398 -10.222 -8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.431 -11.879 -8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.728 -11.063 -10.992 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.686 -9.404 -10.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.961 -10.196 -10.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.617 -9.862 -9.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.658 -11.469 -9.568 1.00 0.00 H new ATOM 1011 N GLU A 66 2.354 -11.300 -5.974 1.00 0.00 N ATOM 1012 CA GLU A 66 1.627 -11.925 -4.855 1.00 0.00 C ATOM 1013 C GLU A 66 0.174 -12.186 -5.252 1.00 0.00 C ATOM 1014 O GLU A 66 -0.331 -13.279 -5.042 1.00 0.00 O ATOM 1015 CB GLU A 66 1.687 -10.995 -3.608 1.00 0.00 C ATOM 1016 CG GLU A 66 3.093 -11.044 -2.935 1.00 0.00 C ATOM 1017 CD GLU A 66 3.189 -10.052 -1.763 1.00 0.00 C ATOM 1018 OE1 GLU A 66 2.186 -9.433 -1.430 1.00 0.00 O ATOM 1019 OE2 GLU A 66 4.273 -9.922 -1.225 1.00 0.00 O ATOM 0 H GLU A 66 2.707 -10.364 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 66 2.096 -12.878 -4.611 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.458 -9.971 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.926 -11.297 -2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.291 -12.054 -2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.860 -10.812 -3.674 1.00 0.00 H new ATOM 1026 N ARG A 67 -0.491 -11.171 -5.822 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.903 -11.310 -6.225 1.00 0.00 C ATOM 1028 C ARG A 67 -2.091 -12.525 -7.130 1.00 0.00 C ATOM 1029 O ARG A 67 -3.056 -13.274 -6.972 1.00 0.00 O ATOM 1030 CB ARG A 67 -2.398 -10.030 -6.954 1.00 0.00 C ATOM 1031 CG ARG A 67 -2.522 -8.844 -5.954 1.00 0.00 C ATOM 1032 CD ARG A 67 -3.047 -7.589 -6.678 1.00 0.00 C ATOM 1033 NE ARG A 67 -2.109 -7.199 -7.737 1.00 0.00 N ATOM 1034 CZ ARG A 67 -2.338 -6.152 -8.546 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -3.436 -5.454 -8.416 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -1.474 -5.835 -9.468 1.00 0.00 N ATOM 0 H ARG A 67 -0.083 -10.256 -6.014 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.495 -11.450 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.704 -9.768 -7.753 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.364 -10.221 -7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.197 -9.113 -5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.551 -8.634 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.030 -7.788 -7.105 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.168 -6.772 -5.967 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.254 -7.741 -7.863 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.118 -5.705 -7.700 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.610 -4.659 -9.030 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.620 -6.383 -9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.651 -5.039 -10.081 1.00 0.00 H new ATOM 1050 N GLU A 68 -1.163 -12.721 -8.078 1.00 0.00 N ATOM 1051 CA GLU A 68 -1.256 -13.860 -9.000 1.00 0.00 C ATOM 1052 C GLU A 68 -1.208 -15.188 -8.220 1.00 0.00 C ATOM 1053 O GLU A 68 -2.175 -15.952 -8.217 1.00 0.00 O ATOM 1054 CB GLU A 68 -0.083 -13.789 -10.012 1.00 0.00 C ATOM 1055 CG GLU A 68 -0.234 -14.877 -11.116 1.00 0.00 C ATOM 1056 CD GLU A 68 0.898 -14.793 -12.143 1.00 0.00 C ATOM 1057 OE1 GLU A 68 1.921 -14.196 -11.842 1.00 0.00 O ATOM 1058 OE2 GLU A 68 0.726 -15.348 -13.213 1.00 0.00 O ATOM 0 H GLU A 68 -0.354 -12.117 -8.225 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.204 -13.815 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.053 -12.801 -10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.863 -13.926 -9.488 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.238 -15.865 -10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.193 -14.756 -11.619 1.00 0.00 H new ATOM 1065 N ASP A 69 -0.061 -15.463 -7.590 1.00 0.00 N ATOM 1066 CA ASP A 69 0.132 -16.713 -6.828 1.00 0.00 C ATOM 1067 C ASP A 69 -0.956 -16.853 -5.757 1.00 0.00 C ATOM 1068 O ASP A 69 -1.516 -17.935 -5.559 1.00 0.00 O ATOM 1069 CB ASP A 69 1.527 -16.709 -6.159 1.00 0.00 C ATOM 1070 CG ASP A 69 2.634 -16.677 -7.220 1.00 0.00 C ATOM 1071 OD1 ASP A 69 2.490 -17.363 -8.218 1.00 0.00 O ATOM 1072 OD2 ASP A 69 3.614 -15.975 -7.011 1.00 0.00 O ATOM 0 H ASP A 69 0.749 -14.843 -7.589 1.00 0.00 H new ATOM 0 HA ASP A 69 0.064 -17.558 -7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.619 -15.843 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.640 -17.595 -5.535 1.00 0.00 H new ATOM 1077 N LEU A 70 -1.247 -15.740 -5.069 1.00 0.00 N ATOM 1078 CA LEU A 70 -2.261 -15.727 -4.011 1.00 0.00 C ATOM 1079 C LEU A 70 -3.622 -16.162 -4.561 1.00 0.00 C ATOM 1080 O LEU A 70 -4.408 -16.780 -3.851 1.00 0.00 O ATOM 1081 CB LEU A 70 -2.384 -14.307 -3.379 1.00 0.00 C ATOM 1082 CG LEU A 70 -3.462 -14.248 -2.225 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -3.111 -15.240 -1.069 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -3.564 -12.796 -1.683 1.00 0.00 C ATOM 0 H LEU A 70 -0.794 -14.840 -5.227 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.946 -16.431 -3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.415 -14.005 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.648 -13.589 -4.155 1.00 0.00 H new ATOM 0 HG LEU A 70 -4.426 -14.549 -2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -3.871 -15.176 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.077 -16.257 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.139 -14.980 -0.649 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.308 -12.756 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.596 -12.485 -1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.860 -12.126 -2.490 1.00 0.00 H new ATOM 1096 N ASP A 71 -3.903 -15.803 -5.814 1.00 0.00 N ATOM 1097 CA ASP A 71 -5.192 -16.148 -6.436 1.00 0.00 C ATOM 1098 C ASP A 71 -5.233 -17.646 -6.734 1.00 0.00 C ATOM 1099 O ASP A 71 -6.153 -18.352 -6.315 1.00 0.00 O ATOM 1100 CB ASP A 71 -5.390 -15.326 -7.734 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.786 -15.565 -8.326 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -7.735 -15.027 -7.781 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -6.884 -16.292 -9.303 1.00 0.00 O ATOM 0 H ASP A 71 -3.267 -15.280 -6.416 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.003 -15.906 -5.749 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.258 -14.265 -7.521 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.629 -15.602 -8.464 1.00 0.00 H new ATOM 1108 N LEU A 72 -4.232 -18.122 -7.479 1.00 0.00 N ATOM 1109 CA LEU A 72 -4.141 -19.535 -7.865 1.00 0.00 C ATOM 1110 C LEU A 72 -3.878 -20.409 -6.642 1.00 0.00 C ATOM 1111 O LEU A 72 -3.887 -21.638 -6.745 1.00 0.00 O ATOM 1112 CB LEU A 72 -2.990 -19.695 -8.892 1.00 0.00 C ATOM 1113 CG LEU A 72 -3.190 -18.753 -10.135 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -1.983 -18.908 -11.104 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -4.525 -19.073 -10.891 1.00 0.00 C ATOM 0 H LEU A 72 -3.467 -17.546 -7.830 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.084 -19.852 -8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.038 -19.468 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.940 -20.732 -9.225 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.248 -17.725 -9.777 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.122 -18.255 -11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.063 -18.635 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.917 -19.943 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.630 -18.403 -11.744 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.507 -20.105 -11.241 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.368 -18.934 -10.215 1.00 0.00 H new ATOM 1127 N ASP A 73 -3.648 -19.774 -5.483 1.00 0.00 N ATOM 1128 CA ASP A 73 -3.391 -20.516 -4.240 1.00 0.00 C ATOM 1129 C ASP A 73 -4.580 -21.435 -3.917 1.00 0.00 C ATOM 1130 O ASP A 73 -5.587 -20.991 -3.362 1.00 0.00 O ATOM 1131 CB ASP A 73 -3.168 -19.524 -3.076 1.00 0.00 C ATOM 1132 CG ASP A 73 -2.690 -20.251 -1.810 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -1.679 -20.925 -1.895 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -3.346 -20.128 -0.786 1.00 0.00 O ATOM 0 H ASP A 73 -3.635 -18.759 -5.381 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.497 -21.126 -4.371 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.432 -18.776 -3.369 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.096 -18.993 -2.865 1.00 0.00 H new ATOM 1139 N HIS A 74 -4.450 -22.717 -4.272 1.00 0.00 N ATOM 1140 CA HIS A 74 -5.504 -23.706 -4.022 1.00 0.00 C ATOM 1141 C HIS A 74 -5.652 -23.926 -2.515 1.00 0.00 C ATOM 1142 O HIS A 74 -6.716 -24.317 -2.036 1.00 0.00 O ATOM 1143 CB HIS A 74 -5.134 -25.029 -4.727 1.00 0.00 C ATOM 1144 CG HIS A 74 -5.006 -24.797 -6.213 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -3.794 -24.496 -6.813 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -5.932 -24.809 -7.225 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -4.021 -24.341 -8.131 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -5.308 -24.521 -8.436 1.00 0.00 N ATOM 0 H HIS A 74 -3.623 -23.095 -4.735 1.00 0.00 H new ATOM 0 HA HIS A 74 -6.454 -23.346 -4.417 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.196 -25.415 -4.328 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.897 -25.782 -4.531 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.986 -25.011 -7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -3.255 -24.100 -8.853 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.741 -24.461 -9.358 1.00 0.00 H new ATOM 1156 N SER A 75 -4.562 -23.662 -1.776 1.00 0.00 N ATOM 1157 CA SER A 75 -4.552 -23.824 -0.313 1.00 0.00 C ATOM 1158 C SER A 75 -5.565 -22.887 0.342 1.00 0.00 C ATOM 1159 O SER A 75 -5.961 -23.092 1.491 1.00 0.00 O ATOM 1160 CB SER A 75 -3.150 -23.532 0.247 1.00 0.00 C ATOM 1161 OG SER A 75 -3.163 -23.748 1.653 1.00 0.00 O ATOM 0 H SER A 75 -3.678 -23.336 -2.167 1.00 0.00 H new ATOM 0 HA SER A 75 -4.825 -24.855 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.412 -24.179 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 75 -2.862 -22.504 0.026 1.00 0.00 H new ATOM 0 HG SER A 75 -4.084 -23.691 1.984 1.00 0.00 H new ATOM 1167 N SER A 76 -5.993 -21.861 -0.409 1.00 0.00 N ATOM 1168 CA SER A 76 -6.975 -20.891 0.088 1.00 0.00 C ATOM 1169 C SER A 76 -8.263 -21.606 0.490 1.00 0.00 C ATOM 1170 O SER A 76 -8.928 -21.222 1.451 1.00 0.00 O ATOM 1171 CB SER A 76 -7.288 -19.851 -1.007 1.00 0.00 C ATOM 1172 OG SER A 76 -6.103 -19.136 -1.328 1.00 0.00 O ATOM 0 H SER A 76 -5.674 -21.683 -1.361 1.00 0.00 H new ATOM 0 HA SER A 76 -6.557 -20.386 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 76 -7.679 -20.348 -1.895 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.059 -19.163 -0.661 1.00 0.00 H new ATOM 0 HG SER A 76 -5.325 -19.622 -0.984 1.00 0.00 H new ATOM 1178 N LEU A 77 -8.622 -22.640 -0.287 1.00 0.00 N ATOM 1179 CA LEU A 77 -9.852 -23.394 -0.039 1.00 0.00 C ATOM 1180 C LEU A 77 -9.784 -24.119 1.330 1.00 0.00 C ATOM 1181 O LEU A 77 -8.686 -24.469 1.771 1.00 0.00 O ATOM 1182 CB LEU A 77 -10.090 -24.441 -1.186 1.00 0.00 C ATOM 1183 CG LEU A 77 -10.799 -23.786 -2.426 1.00 0.00 C ATOM 1184 CD1 LEU A 77 -9.943 -22.616 -2.988 1.00 0.00 C ATOM 1185 CD2 LEU A 77 -11.054 -24.858 -3.520 1.00 0.00 C ATOM 0 H LEU A 77 -8.079 -22.968 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.685 -22.691 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.135 -24.867 -1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.699 -25.263 -0.809 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.759 -23.379 -2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.449 -22.174 -3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.810 -21.859 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.968 -22.994 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.546 -24.395 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.104 -25.288 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.692 -25.645 -3.117 1.00 0.00 H new ATOM 1197 N PRO A 78 -10.924 -24.386 1.993 1.00 0.00 N ATOM 1198 CA PRO A 78 -10.945 -25.128 3.306 1.00 0.00 C ATOM 1199 C PRO A 78 -9.991 -26.346 3.328 1.00 0.00 C ATOM 1200 O PRO A 78 -9.764 -26.908 2.268 1.00 0.00 O ATOM 1201 CB PRO A 78 -12.434 -25.566 3.442 1.00 0.00 C ATOM 1202 CG PRO A 78 -13.214 -24.480 2.741 1.00 0.00 C ATOM 1203 CD PRO A 78 -12.309 -23.998 1.583 1.00 0.00 C ATOM 1204 OXT PRO A 78 -9.513 -26.687 4.395 1.00 0.00 O ATOM 0 HA PRO A 78 -10.596 -24.509 4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -12.605 -26.538 2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.728 -25.653 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.163 -24.860 2.364 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.447 -23.662 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.589 -24.468 0.640 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -12.392 -22.921 1.439 1.00 0.00 H new TER 1212 PRO A 78