USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 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 Set 1.1: A 56 HIS : no HD1:sc= 0.152 K(o=-2.8,f=-7.6!) USER MOD Set 1.2: A 57 GLN :FLIP amide:sc= -2.97 F(o=-7.6!,f=-2.8) USER MOD Set 2.1: A 1 ASN :FLIP amide:sc= -2.38! F(o=-2.9,f=-2!) USER MOD Set 2.2: A 2 THR OG1 : rot 20:sc= 0.405 USER MOD Single : A 1 ASN N :NH3+ -120:sc= 0.0191 (180deg=-0.213) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 170:sc= -0.108 USER MOD Single : A 12 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.094) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.403 K(o=-0.4,f=-8.1!) USER MOD Single : A 24 GLN : amide:sc= -3.02 K(o=-3,f=-4.1!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0.184 (180deg=0.102) USER MOD Single : A 31 HIS : no HE2:sc= -2.23 K(o=-2.2,f=-6.6!) USER MOD Single : A 32 THR OG1 : rot 131:sc= -0.462 USER MOD Single : A 41 THR OG1 : rot 62:sc= 1.57 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -99:sc= -1.38 USER MOD Single : A 45 GLN :FLIP amide:sc= -4.04! C(o=-5!,f=-4!) USER MOD Single : A 49 GLN : amide:sc= -1.43 K(o=-1.4,f=-2.1) USER MOD Single : A 52 THR OG1 : rot 63:sc= -0.24 USER MOD Single : A 54 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=-0.037) USER MOD Single : A 58 GLN : amide:sc= -0.0311 X(o=-0.031,f=-0.054) USER MOD Single : A 59 MET CE :methyl -176:sc= -0.0145 (180deg=-0.0506) USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= 0.326 (180deg=-0.379) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 75 SER OG : rot 40:sc= 1.19 USER MOD Single : A 76 SER OG : rot 180:sc=-0.00544 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -11.437 -7.663 -5.622 1.00 0.00 N ATOM 2 CA ASN A 1 -10.910 -7.708 -7.013 1.00 0.00 C ATOM 3 C ASN A 1 -12.082 -7.601 -8.002 1.00 0.00 C ATOM 4 O ASN A 1 -12.099 -6.715 -8.860 1.00 0.00 O ATOM 5 CB ASN A 1 -10.121 -9.026 -7.206 1.00 0.00 C ATOM 6 CG ASN A 1 -10.991 -10.226 -6.835 1.00 0.00 C ATOM 7 OD1 ASN A 1 -11.606 -10.892 -7.771 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 -11.109 -10.565 -5.656 1.00 0.00 N flip ATOM 0 H1 ASN A 1 -11.028 -6.848 -5.122 1.00 0.00 H new ATOM 0 H2 ASN A 1 -12.473 -7.570 -5.646 1.00 0.00 H new ATOM 0 H3 ASN A 1 -11.180 -8.539 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 1 -10.235 -6.872 -7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -9.793 -9.113 -8.242 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -9.224 -9.014 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -10.627 -10.043 -4.924 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -11.689 -11.368 -5.412 1.00 0.00 H new ATOM 17 N THR A 2 -13.058 -8.509 -7.879 1.00 0.00 N ATOM 18 CA THR A 2 -14.234 -8.518 -8.770 1.00 0.00 C ATOM 19 C THR A 2 -15.053 -7.222 -8.628 1.00 0.00 C ATOM 20 O THR A 2 -15.380 -6.570 -9.623 1.00 0.00 O ATOM 21 CB THR A 2 -15.104 -9.755 -8.426 1.00 0.00 C ATOM 22 OG1 THR A 2 -14.270 -10.904 -8.419 1.00 0.00 O ATOM 23 CG2 THR A 2 -16.238 -9.959 -9.459 1.00 0.00 C ATOM 0 H THR A 2 -13.061 -9.247 -7.175 1.00 0.00 H new ATOM 0 HA THR A 2 -13.900 -8.575 -9.806 1.00 0.00 H new ATOM 0 HB THR A 2 -15.563 -9.597 -7.450 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.335 -10.629 -8.315 1.00 0.00 H new ATOM 0 HG21 THR A 2 -16.826 -10.835 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 2 -16.881 -9.079 -9.472 1.00 0.00 H new ATOM 0 HG23 THR A 2 -15.806 -10.107 -10.449 1.00 0.00 H new ATOM 31 N VAL A 3 -15.382 -6.859 -7.380 1.00 0.00 N ATOM 32 CA VAL A 3 -16.165 -5.642 -7.094 1.00 0.00 C ATOM 33 C VAL A 3 -15.349 -4.399 -7.471 1.00 0.00 C ATOM 34 O VAL A 3 -15.869 -3.462 -8.083 1.00 0.00 O ATOM 35 CB VAL A 3 -16.548 -5.614 -5.577 1.00 0.00 C ATOM 36 CG1 VAL A 3 -17.430 -4.370 -5.243 1.00 0.00 C ATOM 37 CG2 VAL A 3 -17.323 -6.916 -5.213 1.00 0.00 C ATOM 0 H VAL A 3 -15.119 -7.390 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 3 -17.080 -5.646 -7.687 1.00 0.00 H new ATOM 0 HB VAL A 3 -15.631 -5.551 -4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.681 -4.376 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -16.880 -3.460 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -18.346 -4.404 -5.833 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.590 -6.897 -4.156 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.229 -6.980 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -16.693 -7.783 -5.412 1.00 0.00 H new ATOM 47 N ASP A 4 -14.067 -4.403 -7.090 1.00 0.00 N ATOM 48 CA ASP A 4 -13.163 -3.279 -7.371 1.00 0.00 C ATOM 49 C ASP A 4 -11.707 -3.697 -7.123 1.00 0.00 C ATOM 50 O ASP A 4 -11.439 -4.675 -6.424 1.00 0.00 O ATOM 51 CB ASP A 4 -13.543 -2.072 -6.475 1.00 0.00 C ATOM 52 CG ASP A 4 -13.460 -2.457 -4.989 1.00 0.00 C ATOM 53 OD1 ASP A 4 -13.930 -3.531 -4.649 1.00 0.00 O ATOM 54 OD2 ASP A 4 -12.933 -1.672 -4.217 1.00 0.00 O ATOM 0 H ASP A 4 -13.630 -5.174 -6.585 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.262 -2.988 -8.417 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.874 -1.236 -6.678 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -14.552 -1.738 -6.714 1.00 0.00 H new ATOM 59 N ASP A 5 -10.772 -2.934 -7.704 1.00 0.00 N ATOM 60 CA ASP A 5 -9.333 -3.202 -7.556 1.00 0.00 C ATOM 61 C ASP A 5 -8.858 -2.727 -6.175 1.00 0.00 C ATOM 62 O ASP A 5 -8.824 -1.530 -5.906 1.00 0.00 O ATOM 63 CB ASP A 5 -8.569 -2.445 -8.674 1.00 0.00 C ATOM 64 CG ASP A 5 -9.027 -2.929 -10.059 1.00 0.00 C ATOM 65 OD1 ASP A 5 -9.316 -4.108 -10.190 1.00 0.00 O ATOM 66 OD2 ASP A 5 -9.072 -2.113 -10.966 1.00 0.00 O ATOM 0 H ASP A 5 -10.986 -2.123 -8.284 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.140 -4.271 -7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -8.743 -1.373 -8.581 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -7.497 -2.605 -8.562 1.00 0.00 H new ATOM 71 N ILE A 6 -8.495 -3.671 -5.295 1.00 0.00 N ATOM 72 CA ILE A 6 -8.023 -3.331 -3.943 1.00 0.00 C ATOM 73 C ILE A 6 -6.682 -2.588 -4.017 1.00 0.00 C ATOM 74 O ILE A 6 -6.311 -1.848 -3.103 1.00 0.00 O ATOM 75 CB ILE A 6 -7.903 -4.643 -3.100 1.00 0.00 C ATOM 76 CG1 ILE A 6 -6.933 -5.658 -3.810 1.00 0.00 C ATOM 77 CG2 ILE A 6 -9.318 -5.285 -2.936 1.00 0.00 C ATOM 78 CD1 ILE A 6 -6.670 -6.890 -2.921 1.00 0.00 C ATOM 0 H ILE A 6 -8.519 -4.671 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.738 -2.666 -3.458 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.497 -4.402 -2.118 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.366 -5.976 -4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.989 -5.164 -4.040 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.237 -6.200 -2.349 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -9.979 -4.584 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.727 -5.520 -3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.997 -7.574 -3.437 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.215 -6.571 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.612 -7.397 -2.713 1.00 0.00 H new ATOM 90 N SER A 7 -5.963 -2.806 -5.123 1.00 0.00 N ATOM 91 CA SER A 7 -4.651 -2.183 -5.360 1.00 0.00 C ATOM 92 C SER A 7 -4.791 -0.744 -5.884 1.00 0.00 C ATOM 93 O SER A 7 -3.818 -0.169 -6.359 1.00 0.00 O ATOM 94 CB SER A 7 -3.873 -3.046 -6.376 1.00 0.00 C ATOM 95 OG SER A 7 -3.728 -4.359 -5.847 1.00 0.00 O ATOM 0 H SER A 7 -6.271 -3.417 -5.879 1.00 0.00 H new ATOM 0 HA SER A 7 -4.111 -2.130 -4.415 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.404 -3.079 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.894 -2.608 -6.572 1.00 0.00 H new ATOM 0 HG SER A 7 -3.236 -4.917 -6.486 1.00 0.00 H new ATOM 101 N GLU A 8 -6.003 -0.171 -5.817 1.00 0.00 N ATOM 102 CA GLU A 8 -6.243 1.201 -6.319 1.00 0.00 C ATOM 103 C GLU A 8 -5.367 2.212 -5.562 1.00 0.00 C ATOM 104 O GLU A 8 -4.824 3.136 -6.166 1.00 0.00 O ATOM 105 CB GLU A 8 -7.751 1.549 -6.165 1.00 0.00 C ATOM 106 CG GLU A 8 -8.093 2.936 -6.785 1.00 0.00 C ATOM 107 CD GLU A 8 -9.595 3.252 -6.649 1.00 0.00 C ATOM 108 OE1 GLU A 8 -10.372 2.333 -6.423 1.00 0.00 O ATOM 109 OE2 GLU A 8 -9.942 4.413 -6.782 1.00 0.00 O ATOM 0 H GLU A 8 -6.827 -0.627 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.974 1.252 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.353 0.778 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.018 1.548 -5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.509 3.712 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -7.810 2.946 -7.838 1.00 0.00 H new ATOM 116 N SER A 9 -5.217 2.015 -4.245 1.00 0.00 N ATOM 117 CA SER A 9 -4.378 2.898 -3.416 1.00 0.00 C ATOM 118 C SER A 9 -2.916 2.790 -3.863 1.00 0.00 C ATOM 119 O SER A 9 -2.193 3.781 -3.903 1.00 0.00 O ATOM 120 CB SER A 9 -4.495 2.482 -1.942 1.00 0.00 C ATOM 121 OG SER A 9 -4.010 1.154 -1.800 1.00 0.00 O ATOM 0 H SER A 9 -5.663 1.256 -3.730 1.00 0.00 H new ATOM 0 HA SER A 9 -4.716 3.928 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.922 3.162 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.533 2.542 -1.614 1.00 0.00 H new ATOM 0 HG SER A 9 -3.928 0.936 -0.848 1.00 0.00 H new ATOM 127 N LEU A 10 -2.491 1.565 -4.179 1.00 0.00 N ATOM 128 CA LEU A 10 -1.114 1.300 -4.620 1.00 0.00 C ATOM 129 C LEU A 10 -0.821 1.952 -5.981 1.00 0.00 C ATOM 130 O LEU A 10 0.264 2.487 -6.195 1.00 0.00 O ATOM 131 CB LEU A 10 -0.889 -0.229 -4.710 1.00 0.00 C ATOM 132 CG LEU A 10 -1.304 -0.936 -3.375 1.00 0.00 C ATOM 133 CD1 LEU A 10 -1.128 -2.466 -3.525 1.00 0.00 C ATOM 134 CD2 LEU A 10 -0.464 -0.408 -2.161 1.00 0.00 C ATOM 0 H LEU A 10 -3.082 0.735 -4.138 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.432 1.735 -3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.469 -0.638 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.160 -0.434 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.351 -0.706 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.417 -2.958 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.758 -2.827 -4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.085 -2.692 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.778 -0.920 -1.251 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.594 -0.601 -2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.623 0.664 -2.047 1.00 0.00 H new ATOM 146 N ARG A 11 -1.790 1.888 -6.905 1.00 0.00 N ATOM 147 CA ARG A 11 -1.622 2.457 -8.261 1.00 0.00 C ATOM 148 C ARG A 11 -1.312 3.958 -8.192 1.00 0.00 C ATOM 149 O ARG A 11 -0.696 4.501 -9.111 1.00 0.00 O ATOM 150 CB ARG A 11 -2.906 2.208 -9.113 1.00 0.00 C ATOM 151 CG ARG A 11 -3.023 0.712 -9.546 1.00 0.00 C ATOM 152 CD ARG A 11 -4.337 0.476 -10.333 1.00 0.00 C ATOM 153 NE ARG A 11 -4.436 -0.929 -10.757 1.00 0.00 N ATOM 154 CZ ARG A 11 -5.496 -1.406 -11.436 1.00 0.00 C ATOM 155 NH1 ARG A 11 -6.509 -0.630 -11.735 1.00 0.00 N ATOM 156 NH2 ARG A 11 -5.521 -2.659 -11.802 1.00 0.00 N ATOM 0 H ARG A 11 -2.697 1.451 -6.745 1.00 0.00 H new ATOM 0 HA ARG A 11 -0.779 1.958 -8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.787 2.491 -8.537 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.886 2.844 -9.998 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.168 0.438 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.999 0.070 -8.666 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.193 0.736 -9.710 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.368 1.129 -11.205 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.673 -1.566 -10.528 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.501 0.350 -11.453 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.305 -1.006 -12.250 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.739 -3.273 -11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.322 -3.024 -12.317 1.00 0.00 H new ATOM 170 N GLN A 12 -1.745 4.622 -7.106 1.00 0.00 N ATOM 171 CA GLN A 12 -1.505 6.072 -6.925 1.00 0.00 C ATOM 172 C GLN A 12 -0.044 6.436 -7.250 1.00 0.00 C ATOM 173 O GLN A 12 0.237 6.984 -8.318 1.00 0.00 O ATOM 174 CB GLN A 12 -1.841 6.475 -5.462 1.00 0.00 C ATOM 175 CG GLN A 12 -3.345 6.211 -5.134 1.00 0.00 C ATOM 176 CD GLN A 12 -4.262 7.163 -5.914 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.061 8.377 -5.883 1.00 0.00 O ATOM 178 NE2 GLN A 12 -5.258 6.684 -6.612 1.00 0.00 N ATOM 0 H GLN A 12 -2.260 4.184 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.150 6.619 -7.613 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.212 5.911 -4.773 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.613 7.530 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.597 5.179 -5.378 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.513 6.336 -4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.425 5.678 -6.638 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.868 7.316 -7.130 1.00 0.00 H new ATOM 187 N GLY A 13 0.879 6.113 -6.330 1.00 0.00 N ATOM 188 CA GLY A 13 2.308 6.399 -6.548 1.00 0.00 C ATOM 189 C GLY A 13 2.533 7.882 -6.815 1.00 0.00 C ATOM 190 O GLY A 13 3.565 8.282 -7.354 1.00 0.00 O ATOM 0 H GLY A 13 0.667 5.660 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.882 6.092 -5.673 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.675 5.814 -7.391 1.00 0.00 H new ATOM 194 N GLY A 14 1.538 8.696 -6.434 1.00 0.00 N ATOM 195 CA GLY A 14 1.594 10.151 -6.630 1.00 0.00 C ATOM 196 C GLY A 14 2.834 10.767 -5.974 1.00 0.00 C ATOM 197 O GLY A 14 3.127 11.947 -6.167 1.00 0.00 O ATOM 0 H GLY A 14 0.682 8.369 -5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.599 10.374 -7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.697 10.609 -6.213 1.00 0.00 H new ATOM 201 N GLY A 15 3.561 9.941 -5.206 1.00 0.00 N ATOM 202 CA GLY A 15 4.794 10.353 -4.512 1.00 0.00 C ATOM 203 C GLY A 15 4.535 10.529 -3.022 1.00 0.00 C ATOM 204 O GLY A 15 5.119 9.826 -2.193 1.00 0.00 O ATOM 0 H GLY A 15 3.311 8.965 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.572 9.605 -4.666 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.162 11.287 -4.936 1.00 0.00 H new ATOM 208 N LYS A 16 3.647 11.474 -2.682 1.00 0.00 N ATOM 209 CA LYS A 16 3.306 11.736 -1.277 1.00 0.00 C ATOM 210 C LYS A 16 2.255 10.738 -0.813 1.00 0.00 C ATOM 211 O LYS A 16 1.089 10.825 -1.210 1.00 0.00 O ATOM 212 CB LYS A 16 2.734 13.155 -1.111 1.00 0.00 C ATOM 213 CG LYS A 16 3.742 14.216 -1.654 1.00 0.00 C ATOM 214 CD LYS A 16 3.306 15.665 -1.260 1.00 0.00 C ATOM 215 CE LYS A 16 1.849 15.957 -1.699 1.00 0.00 C ATOM 216 NZ LYS A 16 1.606 17.427 -1.660 1.00 0.00 N ATOM 0 H LYS A 16 3.156 12.064 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 16 4.214 11.640 -0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.787 13.237 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.524 13.349 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.737 14.012 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.809 14.136 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.395 15.792 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.979 16.387 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.677 15.575 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.149 15.444 -1.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.628 17.625 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.754 17.778 -0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.266 17.905 -2.306 1.00 0.00 H new ATOM 230 N LEU A 17 2.671 9.804 0.021 1.00 0.00 N ATOM 231 CA LEU A 17 1.769 8.777 0.551 1.00 0.00 C ATOM 232 C LEU A 17 2.256 8.329 1.929 1.00 0.00 C ATOM 233 O LEU A 17 3.440 8.100 2.127 1.00 0.00 O ATOM 234 CB LEU A 17 1.697 7.570 -0.438 1.00 0.00 C ATOM 235 CG LEU A 17 0.492 6.592 -0.087 1.00 0.00 C ATOM 236 CD1 LEU A 17 -0.816 7.025 -0.803 1.00 0.00 C ATOM 237 CD2 LEU A 17 0.850 5.118 -0.454 1.00 0.00 C ATOM 0 H LEU A 17 3.633 9.728 0.353 1.00 0.00 H new ATOM 0 HA LEU A 17 0.766 9.190 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.580 7.941 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.636 7.017 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 17 0.323 6.652 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.619 6.336 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.086 8.033 -0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.662 7.010 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.012 4.467 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.059 5.049 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.730 4.807 0.108 1.00 0.00 H new ATOM 249 N ASN A 18 1.325 8.194 2.863 1.00 0.00 N ATOM 250 CA ASN A 18 1.625 7.761 4.225 1.00 0.00 C ATOM 251 C ASN A 18 0.379 7.140 4.834 1.00 0.00 C ATOM 252 O ASN A 18 -0.711 7.283 4.281 1.00 0.00 O ATOM 253 CB ASN A 18 2.082 8.975 5.067 1.00 0.00 C ATOM 254 CG ASN A 18 0.977 10.039 5.137 1.00 0.00 C ATOM 255 OD1 ASN A 18 -0.076 9.793 5.718 1.00 0.00 O ATOM 256 ND2 ASN A 18 1.154 11.205 4.575 1.00 0.00 N ATOM 0 H ASN A 18 0.336 8.382 2.699 1.00 0.00 H new ATOM 0 HA ASN A 18 2.426 7.022 4.211 1.00 0.00 H new ATOM 0 HB2 ASN A 18 2.342 8.648 6.074 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.982 9.408 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.418 11.910 4.619 1.00 0.00 H new ATOM 0 HD22 ASN A 18 2.028 11.411 4.092 1.00 0.00 H new ATOM 263 N PHE A 19 0.582 6.411 5.928 1.00 0.00 N ATOM 264 CA PHE A 19 -0.483 5.679 6.640 1.00 0.00 C ATOM 265 C PHE A 19 -1.865 6.367 6.534 1.00 0.00 C ATOM 266 O PHE A 19 -2.856 5.690 6.339 1.00 0.00 O ATOM 267 CB PHE A 19 -0.079 5.545 8.140 1.00 0.00 C ATOM 268 CG PHE A 19 0.293 6.939 8.681 1.00 0.00 C ATOM 269 CD1 PHE A 19 1.611 7.429 8.517 1.00 0.00 C ATOM 270 CD2 PHE A 19 -0.671 7.750 9.313 1.00 0.00 C ATOM 271 CE1 PHE A 19 1.951 8.708 8.980 1.00 0.00 C ATOM 272 CE2 PHE A 19 -0.321 9.026 9.778 1.00 0.00 C ATOM 273 CZ PHE A 19 0.985 9.506 9.612 1.00 0.00 C ATOM 0 H PHE A 19 1.501 6.305 6.358 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.583 4.701 6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.903 5.124 8.716 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.764 4.862 8.244 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.357 6.816 8.034 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.681 7.388 9.439 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.957 9.079 8.850 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.062 9.642 10.266 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.248 10.490 9.970 1.00 0.00 H new ATOM 283 N ASP A 20 -1.909 7.701 6.632 1.00 0.00 N ATOM 284 CA ASP A 20 -3.185 8.458 6.549 1.00 0.00 C ATOM 285 C ASP A 20 -3.742 8.520 5.111 1.00 0.00 C ATOM 286 O ASP A 20 -4.933 8.358 4.883 1.00 0.00 O ATOM 287 CB ASP A 20 -2.928 9.898 7.099 1.00 0.00 C ATOM 288 CG ASP A 20 -4.234 10.623 7.459 1.00 0.00 C ATOM 289 OD1 ASP A 20 -5.023 10.044 8.186 1.00 0.00 O ATOM 290 OD2 ASP A 20 -4.418 11.753 7.015 1.00 0.00 O ATOM 0 H ASP A 20 -1.085 8.286 6.768 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.939 7.943 7.145 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.291 9.840 7.982 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.386 10.479 6.353 1.00 0.00 H new ATOM 295 N GLU A 21 -2.871 8.810 4.154 1.00 0.00 N ATOM 296 CA GLU A 21 -3.293 8.975 2.747 1.00 0.00 C ATOM 297 C GLU A 21 -3.910 7.696 2.178 1.00 0.00 C ATOM 298 O GLU A 21 -4.967 7.725 1.539 1.00 0.00 O ATOM 299 CB GLU A 21 -2.076 9.404 1.888 1.00 0.00 C ATOM 300 CG GLU A 21 -1.448 10.722 2.425 1.00 0.00 C ATOM 301 CD GLU A 21 -2.425 11.899 2.272 1.00 0.00 C ATOM 302 OE1 GLU A 21 -2.957 12.058 1.183 1.00 0.00 O ATOM 303 OE2 GLU A 21 -2.628 12.620 3.238 1.00 0.00 O ATOM 0 H GLU A 21 -1.871 8.938 4.312 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.061 9.748 2.717 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.327 8.612 1.892 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.388 9.542 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.181 10.601 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.526 10.937 1.884 1.00 0.00 H new ATOM 310 N LEU A 22 -3.256 6.578 2.446 1.00 0.00 N ATOM 311 CA LEU A 22 -3.752 5.269 1.992 1.00 0.00 C ATOM 312 C LEU A 22 -4.933 4.758 2.850 1.00 0.00 C ATOM 313 O LEU A 22 -5.911 4.234 2.317 1.00 0.00 O ATOM 314 CB LEU A 22 -2.572 4.265 1.962 1.00 0.00 C ATOM 315 CG LEU A 22 -1.829 4.175 3.373 1.00 0.00 C ATOM 316 CD1 LEU A 22 -2.286 2.925 4.164 1.00 0.00 C ATOM 317 CD2 LEU A 22 -0.275 4.149 3.159 1.00 0.00 C ATOM 0 H LEU A 22 -2.383 6.540 2.973 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.152 5.375 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.942 3.278 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.859 4.566 1.195 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.093 5.056 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.764 2.889 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.361 2.978 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.055 2.027 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.224 4.088 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.005 3.282 2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.037 5.059 2.647 1.00 0.00 H new ATOM 329 N ARG A 23 -4.792 4.835 4.180 1.00 0.00 N ATOM 330 CA ARG A 23 -5.826 4.277 5.092 1.00 0.00 C ATOM 331 C ARG A 23 -7.186 4.958 4.906 1.00 0.00 C ATOM 332 O ARG A 23 -8.211 4.291 4.770 1.00 0.00 O ATOM 333 CB ARG A 23 -5.358 4.395 6.570 1.00 0.00 C ATOM 334 CG ARG A 23 -6.435 3.846 7.600 1.00 0.00 C ATOM 335 CD ARG A 23 -7.112 5.012 8.358 1.00 0.00 C ATOM 336 NE ARG A 23 -6.114 5.727 9.170 1.00 0.00 N ATOM 337 CZ ARG A 23 -6.420 6.821 9.888 1.00 0.00 C ATOM 338 NH1 ARG A 23 -7.635 7.314 9.874 1.00 0.00 N ATOM 339 NH2 ARG A 23 -5.498 7.405 10.602 1.00 0.00 N ATOM 0 H ARG A 23 -3.996 5.266 4.650 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.954 3.225 4.838 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.426 3.844 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.144 5.439 6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.189 3.264 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.955 3.173 8.311 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.576 5.698 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.907 4.629 8.997 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.155 5.379 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.361 6.867 9.314 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -7.855 8.145 10.423 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.549 7.031 10.614 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.726 8.236 11.148 1.00 0.00 H new ATOM 353 N GLN A 24 -7.184 6.280 4.922 1.00 0.00 N ATOM 354 CA GLN A 24 -8.411 7.075 4.784 1.00 0.00 C ATOM 355 C GLN A 24 -9.115 6.804 3.471 1.00 0.00 C ATOM 356 O GLN A 24 -10.344 6.748 3.427 1.00 0.00 O ATOM 357 CB GLN A 24 -8.050 8.566 4.860 1.00 0.00 C ATOM 358 CG GLN A 24 -7.494 8.885 6.262 1.00 0.00 C ATOM 359 CD GLN A 24 -7.098 10.355 6.336 1.00 0.00 C ATOM 360 OE1 GLN A 24 -6.260 10.809 5.553 1.00 0.00 O ATOM 361 NE2 GLN A 24 -7.669 11.124 7.207 1.00 0.00 N ATOM 0 H GLN A 24 -6.338 6.840 5.030 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.087 6.795 5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.310 8.812 4.098 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.931 9.176 4.658 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.244 8.662 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.630 8.255 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.361 10.740 7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.427 12.114 7.250 1.00 0.00 H new ATOM 370 N ASP A 25 -8.339 6.556 2.416 1.00 0.00 N ATOM 371 CA ASP A 25 -8.886 6.198 1.125 1.00 0.00 C ATOM 372 C ASP A 25 -9.457 4.778 1.168 1.00 0.00 C ATOM 373 O ASP A 25 -10.567 4.521 0.715 1.00 0.00 O ATOM 374 CB ASP A 25 -7.733 6.277 0.084 1.00 0.00 C ATOM 375 CG ASP A 25 -7.253 7.725 -0.126 1.00 0.00 C ATOM 376 OD1 ASP A 25 -7.941 8.641 0.296 1.00 0.00 O ATOM 377 OD2 ASP A 25 -6.193 7.889 -0.712 1.00 0.00 O ATOM 0 H ASP A 25 -7.320 6.599 2.440 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.693 6.878 0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.898 5.662 0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.072 5.865 -0.866 1.00 0.00 H new ATOM 382 N LEU A 26 -8.637 3.850 1.720 1.00 0.00 N ATOM 383 CA LEU A 26 -8.995 2.401 1.778 1.00 0.00 C ATOM 384 C LEU A 26 -10.244 2.158 2.630 1.00 0.00 C ATOM 385 O LEU A 26 -11.031 1.243 2.345 1.00 0.00 O ATOM 386 CB LEU A 26 -7.807 1.538 2.305 1.00 0.00 C ATOM 387 CG LEU A 26 -6.589 1.463 1.280 1.00 0.00 C ATOM 388 CD1 LEU A 26 -5.275 1.115 2.036 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.836 0.373 0.188 1.00 0.00 C ATOM 0 H LEU A 26 -7.729 4.071 2.130 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.217 2.093 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.455 1.953 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.162 0.529 2.513 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.503 2.438 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.449 1.066 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.069 1.884 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.385 0.150 2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.988 0.345 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.949 -0.601 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.743 0.613 -0.367 1.00 0.00 H new ATOM 401 N LYS A 27 -10.432 2.990 3.659 1.00 0.00 N ATOM 402 CA LYS A 27 -11.607 2.876 4.537 1.00 0.00 C ATOM 403 C LYS A 27 -12.900 2.938 3.685 1.00 0.00 C ATOM 404 O LYS A 27 -13.828 2.154 3.883 1.00 0.00 O ATOM 405 CB LYS A 27 -11.549 4.027 5.565 1.00 0.00 C ATOM 406 CG LYS A 27 -12.731 3.963 6.576 1.00 0.00 C ATOM 407 CD LYS A 27 -12.544 5.019 7.715 1.00 0.00 C ATOM 408 CE LYS A 27 -12.487 6.475 7.156 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.742 7.436 8.270 1.00 0.00 N ATOM 0 H LYS A 27 -9.792 3.745 3.906 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.609 1.924 5.068 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.605 3.982 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.571 4.983 5.041 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.671 4.145 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.794 2.964 7.007 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.366 4.935 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.626 4.804 8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.512 6.668 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.230 6.605 6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.705 8.409 7.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.682 7.254 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.017 7.315 9.006 1.00 0.00 H new ATOM 423 N GLY A 28 -12.923 3.870 2.721 1.00 0.00 N ATOM 424 CA GLY A 28 -14.075 4.034 1.820 1.00 0.00 C ATOM 425 C GLY A 28 -14.290 2.795 0.941 1.00 0.00 C ATOM 426 O GLY A 28 -15.426 2.441 0.625 1.00 0.00 O ATOM 0 H GLY A 28 -12.158 4.521 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.973 4.223 2.408 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.920 4.907 1.186 1.00 0.00 H new ATOM 430 N LYS A 29 -13.187 2.155 0.528 1.00 0.00 N ATOM 431 CA LYS A 29 -13.235 0.962 -0.344 1.00 0.00 C ATOM 432 C LYS A 29 -13.782 -0.260 0.410 1.00 0.00 C ATOM 433 O LYS A 29 -13.887 -1.351 -0.151 1.00 0.00 O ATOM 434 CB LYS A 29 -11.800 0.647 -0.861 1.00 0.00 C ATOM 435 CG LYS A 29 -11.117 1.879 -1.522 1.00 0.00 C ATOM 436 CD LYS A 29 -11.819 2.285 -2.847 1.00 0.00 C ATOM 437 CE LYS A 29 -11.092 3.466 -3.516 1.00 0.00 C ATOM 438 NZ LYS A 29 -11.802 3.781 -4.784 1.00 0.00 N ATOM 0 H LYS A 29 -12.242 2.442 0.783 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.902 1.175 -1.179 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.187 0.299 -0.030 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.849 -0.168 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.135 2.720 -0.829 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.070 1.651 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.840 1.434 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.855 2.558 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.086 4.334 -2.856 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.051 3.210 -3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.394 4.639 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.698 2.986 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.811 3.938 -4.587 1.00 0.00 H new ATOM 452 N GLY A 30 -14.167 -0.040 1.658 1.00 0.00 N ATOM 453 CA GLY A 30 -14.764 -1.093 2.487 1.00 0.00 C ATOM 454 C GLY A 30 -13.744 -2.143 2.910 1.00 0.00 C ATOM 455 O GLY A 30 -14.126 -3.250 3.293 1.00 0.00 O ATOM 0 H GLY A 30 -14.079 0.861 2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -15.210 -0.645 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.570 -1.575 1.934 1.00 0.00 H new ATOM 459 N HIS A 31 -12.440 -1.812 2.852 1.00 0.00 N ATOM 460 CA HIS A 31 -11.379 -2.760 3.246 1.00 0.00 C ATOM 461 C HIS A 31 -11.442 -3.035 4.741 1.00 0.00 C ATOM 462 O HIS A 31 -12.107 -2.317 5.490 1.00 0.00 O ATOM 463 CB HIS A 31 -9.999 -2.208 2.819 1.00 0.00 C ATOM 464 CG HIS A 31 -9.861 -2.327 1.327 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.945 -2.186 0.490 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.803 -2.659 0.530 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.529 -2.439 -0.752 1.00 0.00 C ATOM 468 NE2 HIS A 31 -9.224 -2.730 -0.789 1.00 0.00 N ATOM 0 H HIS A 31 -12.097 -0.904 2.539 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.533 -3.711 2.735 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.900 -1.166 3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.202 -2.762 3.316 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -11.893 -1.934 0.769 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.795 -2.838 0.874 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.168 -2.412 -1.622 1.00 0.00 H new ATOM 476 N THR A 32 -10.788 -4.134 5.153 1.00 0.00 N ATOM 477 CA THR A 32 -10.812 -4.575 6.556 1.00 0.00 C ATOM 478 C THR A 32 -9.665 -3.948 7.297 1.00 0.00 C ATOM 479 O THR A 32 -8.683 -3.539 6.688 1.00 0.00 O ATOM 480 CB THR A 32 -10.728 -6.113 6.609 1.00 0.00 C ATOM 481 OG1 THR A 32 -9.484 -6.515 6.076 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.869 -6.740 5.772 1.00 0.00 C ATOM 0 H THR A 32 -10.238 -4.731 4.536 1.00 0.00 H new ATOM 0 HA THR A 32 -11.742 -4.262 7.031 1.00 0.00 H new ATOM 0 HB THR A 32 -10.825 -6.447 7.642 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.056 -7.149 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.799 -7.827 5.817 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.831 -6.422 6.173 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.782 -6.414 4.736 1.00 0.00 H new ATOM 490 N ASP A 33 -9.780 -3.883 8.625 1.00 0.00 N ATOM 491 CA ASP A 33 -8.726 -3.286 9.440 1.00 0.00 C ATOM 492 C ASP A 33 -7.440 -4.093 9.293 1.00 0.00 C ATOM 493 O ASP A 33 -6.385 -3.526 9.098 1.00 0.00 O ATOM 494 CB ASP A 33 -9.178 -3.236 10.921 1.00 0.00 C ATOM 495 CG ASP A 33 -10.431 -2.357 11.064 1.00 0.00 C ATOM 496 OD1 ASP A 33 -10.500 -1.344 10.387 1.00 0.00 O ATOM 497 OD2 ASP A 33 -11.298 -2.714 11.844 1.00 0.00 O ATOM 0 H ASP A 33 -10.581 -4.232 9.151 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.534 -2.268 9.101 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.389 -4.244 11.279 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.374 -2.840 11.541 1.00 0.00 H new ATOM 502 N ALA A 34 -7.537 -5.424 9.359 1.00 0.00 N ATOM 503 CA ALA A 34 -6.337 -6.268 9.237 1.00 0.00 C ATOM 504 C ALA A 34 -5.624 -6.017 7.898 1.00 0.00 C ATOM 505 O ALA A 34 -4.395 -5.918 7.862 1.00 0.00 O ATOM 506 CB ALA A 34 -6.754 -7.750 9.357 1.00 0.00 C ATOM 0 H ALA A 34 -8.410 -5.934 9.493 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.638 -6.017 10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.872 -8.384 9.268 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.226 -7.918 10.325 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.459 -7.995 8.563 1.00 0.00 H new ATOM 512 N GLU A 35 -6.378 -5.983 6.793 1.00 0.00 N ATOM 513 CA GLU A 35 -5.785 -5.822 5.448 1.00 0.00 C ATOM 514 C GLU A 35 -5.135 -4.457 5.304 1.00 0.00 C ATOM 515 O GLU A 35 -4.028 -4.331 4.785 1.00 0.00 O ATOM 516 CB GLU A 35 -6.906 -6.001 4.374 1.00 0.00 C ATOM 517 CG GLU A 35 -7.392 -7.487 4.291 1.00 0.00 C ATOM 518 CD GLU A 35 -6.323 -8.389 3.653 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.902 -8.079 2.551 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.947 -9.375 4.273 1.00 0.00 O ATOM 0 H GLU A 35 -7.395 -6.064 6.797 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.013 -6.578 5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.750 -5.355 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.532 -5.685 3.400 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.629 -7.851 5.291 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.311 -7.539 3.707 1.00 0.00 H new ATOM 527 N ILE A 36 -5.827 -3.441 5.809 1.00 0.00 N ATOM 528 CA ILE A 36 -5.309 -2.070 5.743 1.00 0.00 C ATOM 529 C ILE A 36 -3.934 -2.019 6.431 1.00 0.00 C ATOM 530 O ILE A 36 -2.985 -1.442 5.900 1.00 0.00 O ATOM 531 CB ILE A 36 -6.336 -1.090 6.392 1.00 0.00 C ATOM 532 CG1 ILE A 36 -7.599 -0.969 5.458 1.00 0.00 C ATOM 533 CG2 ILE A 36 -5.718 0.331 6.627 1.00 0.00 C ATOM 534 CD1 ILE A 36 -8.790 -0.370 6.212 1.00 0.00 C ATOM 0 H ILE A 36 -6.736 -3.533 6.263 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.175 -1.758 4.707 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.620 -1.493 7.364 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.359 -0.345 4.597 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.866 -1.953 5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.465 0.982 7.080 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.858 0.248 7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.400 0.752 5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.647 -0.299 5.542 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.043 -1.009 7.058 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.529 0.625 6.574 1.00 0.00 H new ATOM 546 N GLU A 37 -3.859 -2.617 7.628 1.00 0.00 N ATOM 547 CA GLU A 37 -2.637 -2.650 8.417 1.00 0.00 C ATOM 548 C GLU A 37 -1.506 -3.294 7.658 1.00 0.00 C ATOM 549 O GLU A 37 -0.409 -2.766 7.607 1.00 0.00 O ATOM 550 CB GLU A 37 -2.888 -3.411 9.743 1.00 0.00 C ATOM 551 CG GLU A 37 -3.902 -2.607 10.576 1.00 0.00 C ATOM 552 CD GLU A 37 -4.242 -3.312 11.895 1.00 0.00 C ATOM 553 OE1 GLU A 37 -4.381 -4.523 11.876 1.00 0.00 O ATOM 554 OE2 GLU A 37 -4.356 -2.630 12.905 1.00 0.00 O ATOM 0 H GLU A 37 -4.648 -3.089 8.069 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.349 -1.622 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.271 -4.411 9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.955 -3.532 10.294 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.496 -1.618 10.787 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.814 -2.461 9.997 1.00 0.00 H new ATOM 561 N ALA A 38 -1.787 -4.434 7.052 1.00 0.00 N ATOM 562 CA ALA A 38 -0.790 -5.165 6.293 1.00 0.00 C ATOM 563 C ALA A 38 -0.262 -4.334 5.117 1.00 0.00 C ATOM 564 O ALA A 38 0.944 -4.350 4.848 1.00 0.00 O ATOM 565 CB ALA A 38 -1.458 -6.455 5.778 1.00 0.00 C ATOM 0 H ALA A 38 -2.706 -4.876 7.072 1.00 0.00 H new ATOM 0 HA ALA A 38 0.065 -5.395 6.929 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.736 -7.033 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.804 -7.048 6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.307 -6.197 5.144 1.00 0.00 H new ATOM 571 N ILE A 39 -1.171 -3.670 4.371 1.00 0.00 N ATOM 572 CA ILE A 39 -0.707 -2.932 3.154 1.00 0.00 C ATOM 573 C ILE A 39 0.257 -1.786 3.525 1.00 0.00 C ATOM 574 O ILE A 39 1.313 -1.651 2.900 1.00 0.00 O ATOM 575 CB ILE A 39 -1.960 -2.333 2.338 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.554 -3.377 1.300 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.592 -1.008 1.546 1.00 0.00 C ATOM 578 CD1 ILE A 39 -3.269 -4.544 1.994 1.00 0.00 C ATOM 0 H ILE A 39 -2.172 -3.622 4.563 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.175 -3.646 2.526 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.707 -2.104 3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.253 -2.869 0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.748 -3.766 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.472 -0.646 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.254 -0.246 2.249 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.797 -1.220 0.831 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.658 -5.231 1.242 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.565 -5.071 2.638 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.093 -4.160 2.596 1.00 0.00 H new ATOM 590 N PHE A 40 -0.096 -0.976 4.519 1.00 0.00 N ATOM 591 CA PHE A 40 0.760 0.144 4.944 1.00 0.00 C ATOM 592 C PHE A 40 2.036 -0.363 5.585 1.00 0.00 C ATOM 593 O PHE A 40 3.121 0.155 5.355 1.00 0.00 O ATOM 594 CB PHE A 40 -0.025 1.142 5.846 1.00 0.00 C ATOM 595 CG PHE A 40 0.362 1.006 7.321 1.00 0.00 C ATOM 596 CD1 PHE A 40 1.422 1.748 7.857 1.00 0.00 C ATOM 597 CD2 PHE A 40 -0.339 0.119 8.121 1.00 0.00 C ATOM 598 CE1 PHE A 40 1.765 1.586 9.195 1.00 0.00 C ATOM 599 CE2 PHE A 40 -0.012 -0.054 9.458 1.00 0.00 C ATOM 600 CZ PHE A 40 1.052 0.681 10.005 1.00 0.00 C ATOM 0 H PHE A 40 -0.964 -1.068 5.048 1.00 0.00 H new ATOM 0 HA PHE A 40 1.061 0.707 4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.168 2.162 5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.095 0.968 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.969 2.441 7.236 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.154 -0.448 7.697 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.581 2.156 9.614 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.570 -0.746 10.071 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.323 0.553 11.043 1.00 0.00 H new ATOM 610 N THR A 41 1.855 -1.361 6.459 1.00 0.00 N ATOM 611 CA THR A 41 2.962 -1.920 7.218 1.00 0.00 C ATOM 612 C THR A 41 4.049 -2.488 6.303 1.00 0.00 C ATOM 613 O THR A 41 5.238 -2.220 6.515 1.00 0.00 O ATOM 614 CB THR A 41 2.367 -3.013 8.135 1.00 0.00 C ATOM 615 OG1 THR A 41 1.528 -2.392 9.097 1.00 0.00 O ATOM 616 CG2 THR A 41 3.433 -3.823 8.873 1.00 0.00 C ATOM 0 H THR A 41 0.951 -1.792 6.652 1.00 0.00 H new ATOM 0 HA THR A 41 3.450 -1.144 7.807 1.00 0.00 H new ATOM 0 HB THR A 41 1.815 -3.704 7.498 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.786 -1.941 8.642 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.951 -4.573 9.500 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.081 -4.317 8.149 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.028 -3.157 9.497 1.00 0.00 H new ATOM 624 N LYS A 42 3.647 -3.269 5.293 1.00 0.00 N ATOM 625 CA LYS A 42 4.601 -3.858 4.380 1.00 0.00 C ATOM 626 C LYS A 42 5.232 -2.775 3.495 1.00 0.00 C ATOM 627 O LYS A 42 6.455 -2.764 3.316 1.00 0.00 O ATOM 628 CB LYS A 42 3.859 -4.919 3.540 1.00 0.00 C ATOM 629 CG LYS A 42 4.843 -5.686 2.622 1.00 0.00 C ATOM 630 CD LYS A 42 4.107 -6.777 1.802 1.00 0.00 C ATOM 631 CE LYS A 42 5.119 -7.537 0.902 1.00 0.00 C ATOM 632 NZ LYS A 42 4.413 -8.594 0.124 1.00 0.00 N ATOM 0 H LYS A 42 2.673 -3.499 5.098 1.00 0.00 H new ATOM 0 HA LYS A 42 5.415 -4.333 4.927 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.350 -5.621 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.091 -4.437 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.333 -4.987 1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.625 -6.146 3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.610 -7.476 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.332 -6.320 1.187 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.609 -6.840 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.900 -7.986 1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.097 -9.098 -0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.965 -9.266 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.684 -8.156 -0.475 1.00 0.00 H new ATOM 646 N TYR A 43 4.399 -1.902 2.885 1.00 0.00 N ATOM 647 CA TYR A 43 4.948 -0.890 1.967 1.00 0.00 C ATOM 648 C TYR A 43 5.707 0.165 2.746 1.00 0.00 C ATOM 649 O TYR A 43 6.685 0.693 2.235 1.00 0.00 O ATOM 650 CB TYR A 43 3.796 -0.195 1.155 1.00 0.00 C ATOM 651 CG TYR A 43 3.362 -1.061 -0.043 1.00 0.00 C ATOM 652 CD1 TYR A 43 2.846 -2.346 0.183 1.00 0.00 C ATOM 653 CD2 TYR A 43 3.484 -0.587 -1.375 1.00 0.00 C ATOM 654 CE1 TYR A 43 2.461 -3.141 -0.890 1.00 0.00 C ATOM 655 CE2 TYR A 43 3.094 -1.398 -2.437 1.00 0.00 C ATOM 656 CZ TYR A 43 2.586 -2.672 -2.188 1.00 0.00 C ATOM 657 OH TYR A 43 2.198 -3.466 -3.224 1.00 0.00 O ATOM 0 H TYR A 43 3.387 -1.878 3.006 1.00 0.00 H new ATOM 0 HA TYR A 43 5.623 -1.393 1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.942 -0.018 1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.133 0.779 0.801 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.748 -2.718 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.878 0.400 -1.564 1.00 0.00 H new ATOM 0 HE1 TYR A 43 2.063 -4.129 -0.711 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.185 -1.041 -3.452 1.00 0.00 H new ATOM 0 HH TYR A 43 2.983 -3.907 -3.610 1.00 0.00 H new ATOM 667 N ASP A 44 5.268 0.452 3.979 1.00 0.00 N ATOM 668 CA ASP A 44 5.901 1.475 4.847 1.00 0.00 C ATOM 669 C ASP A 44 6.562 0.777 6.040 1.00 0.00 C ATOM 670 O ASP A 44 5.875 0.305 6.949 1.00 0.00 O ATOM 671 CB ASP A 44 4.804 2.502 5.318 1.00 0.00 C ATOM 672 CG ASP A 44 3.706 2.682 4.253 1.00 0.00 C ATOM 673 OD1 ASP A 44 4.008 2.539 3.081 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.576 2.954 4.629 1.00 0.00 O ATOM 0 H ASP A 44 4.468 -0.012 4.409 1.00 0.00 H new ATOM 0 HA ASP A 44 6.669 2.022 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.356 2.156 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.271 3.464 5.527 1.00 0.00 H new ATOM 679 N GLN A 45 7.902 0.655 5.999 1.00 0.00 N ATOM 680 CA GLN A 45 8.629 -0.057 7.053 1.00 0.00 C ATOM 681 C GLN A 45 8.405 0.604 8.429 1.00 0.00 C ATOM 682 O GLN A 45 8.033 -0.097 9.374 1.00 0.00 O ATOM 683 CB GLN A 45 10.152 -0.054 6.705 1.00 0.00 C ATOM 684 CG GLN A 45 10.475 -0.984 5.497 1.00 0.00 C ATOM 685 CD GLN A 45 9.721 -0.552 4.242 1.00 0.00 C ATOM 686 OE1 GLN A 45 8.511 -1.000 4.033 1.00 0.00 O flip ATOM 687 NE2 GLN A 45 10.245 0.221 3.442 1.00 0.00 N flip ATOM 0 H GLN A 45 8.491 1.035 5.258 1.00 0.00 H new ATOM 0 HA GLN A 45 8.257 -1.080 7.109 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.470 0.963 6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.724 -0.377 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.547 -0.970 5.302 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.210 -2.012 5.746 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.190 0.567 3.611 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.735 0.516 2.609 1.00 0.00 H new ATOM 696 N ASP A 46 8.608 1.943 8.559 1.00 0.00 N ATOM 697 CA ASP A 46 8.396 2.655 9.848 1.00 0.00 C ATOM 698 C ASP A 46 7.109 3.507 9.842 1.00 0.00 C ATOM 699 O ASP A 46 6.790 4.136 10.848 1.00 0.00 O ATOM 700 CB ASP A 46 9.624 3.573 10.080 1.00 0.00 C ATOM 701 CG ASP A 46 10.913 2.739 10.109 1.00 0.00 C ATOM 702 OD1 ASP A 46 10.882 1.651 10.664 1.00 0.00 O ATOM 703 OD2 ASP A 46 11.911 3.202 9.581 1.00 0.00 O ATOM 0 H ASP A 46 8.915 2.545 7.795 1.00 0.00 H new ATOM 0 HA ASP A 46 8.285 1.919 10.645 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.683 4.320 9.288 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.511 4.113 11.020 1.00 0.00 H new ATOM 708 N GLY A 47 6.389 3.541 8.706 1.00 0.00 N ATOM 709 CA GLY A 47 5.144 4.349 8.581 1.00 0.00 C ATOM 710 C GLY A 47 5.268 5.755 9.177 1.00 0.00 C ATOM 711 O GLY A 47 4.312 6.275 9.752 1.00 0.00 O ATOM 0 H GLY A 47 6.639 3.025 7.862 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.878 4.431 7.527 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.327 3.823 9.076 1.00 0.00 H new ATOM 715 N ASP A 48 6.470 6.346 9.062 1.00 0.00 N ATOM 716 CA ASP A 48 6.776 7.689 9.619 1.00 0.00 C ATOM 717 C ASP A 48 7.113 8.712 8.521 1.00 0.00 C ATOM 718 O ASP A 48 7.059 9.916 8.776 1.00 0.00 O ATOM 719 CB ASP A 48 7.985 7.517 10.574 1.00 0.00 C ATOM 720 CG ASP A 48 8.309 8.811 11.330 1.00 0.00 C ATOM 721 OD1 ASP A 48 7.641 9.079 12.315 1.00 0.00 O ATOM 722 OD2 ASP A 48 9.226 9.506 10.919 1.00 0.00 O ATOM 0 H ASP A 48 7.260 5.913 8.583 1.00 0.00 H new ATOM 0 HA ASP A 48 5.900 8.075 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.772 6.723 11.290 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.858 7.204 10.001 1.00 0.00 H new ATOM 727 N GLN A 49 7.490 8.234 7.319 1.00 0.00 N ATOM 728 CA GLN A 49 7.889 9.118 6.182 1.00 0.00 C ATOM 729 C GLN A 49 7.066 8.805 4.929 1.00 0.00 C ATOM 730 O GLN A 49 6.350 7.805 4.871 1.00 0.00 O ATOM 731 CB GLN A 49 9.427 8.948 5.886 1.00 0.00 C ATOM 732 CG GLN A 49 9.893 7.469 6.062 1.00 0.00 C ATOM 733 CD GLN A 49 9.107 6.514 5.155 1.00 0.00 C ATOM 734 OE1 GLN A 49 9.008 6.737 3.949 1.00 0.00 O ATOM 735 NE2 GLN A 49 8.539 5.453 5.677 1.00 0.00 N ATOM 0 H GLN A 49 7.530 7.239 7.100 1.00 0.00 H new ATOM 0 HA GLN A 49 7.692 10.153 6.463 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.640 9.277 4.869 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.999 9.591 6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.956 7.393 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 9.767 7.169 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 49 8.622 5.270 6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.014 4.811 5.083 1.00 0.00 H new ATOM 744 N GLU A 50 7.191 9.681 3.919 1.00 0.00 N ATOM 745 CA GLU A 50 6.496 9.545 2.643 1.00 0.00 C ATOM 746 C GLU A 50 7.186 8.458 1.805 1.00 0.00 C ATOM 747 O GLU A 50 8.396 8.260 1.917 1.00 0.00 O ATOM 748 CB GLU A 50 6.489 10.908 1.887 1.00 0.00 C ATOM 749 CG GLU A 50 7.938 11.424 1.646 1.00 0.00 C ATOM 750 CD GLU A 50 7.910 12.765 0.897 1.00 0.00 C ATOM 751 OE1 GLU A 50 7.058 13.581 1.214 1.00 0.00 O ATOM 752 OE2 GLU A 50 8.736 12.954 0.015 1.00 0.00 O ATOM 0 H GLU A 50 7.784 10.509 3.973 1.00 0.00 H new ATOM 0 HA GLU A 50 5.461 9.253 2.819 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.977 10.795 0.932 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.929 11.644 2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.452 11.543 2.600 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.501 10.690 1.070 1.00 0.00 H new ATOM 759 N LEU A 51 6.396 7.737 1.002 1.00 0.00 N ATOM 760 CA LEU A 51 6.925 6.632 0.170 1.00 0.00 C ATOM 761 C LEU A 51 7.319 7.145 -1.222 1.00 0.00 C ATOM 762 O LEU A 51 6.510 7.694 -1.965 1.00 0.00 O ATOM 763 CB LEU A 51 5.835 5.516 0.039 1.00 0.00 C ATOM 764 CG LEU A 51 5.758 4.579 1.302 1.00 0.00 C ATOM 765 CD1 LEU A 51 6.989 3.641 1.388 1.00 0.00 C ATOM 766 CD2 LEU A 51 5.622 5.398 2.614 1.00 0.00 C ATOM 0 H LEU A 51 5.392 7.892 0.905 1.00 0.00 H new ATOM 0 HA LEU A 51 7.814 6.222 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.863 5.982 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.046 4.911 -0.843 1.00 0.00 H new ATOM 0 HG LEU A 51 4.864 3.967 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.903 3.008 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.033 3.015 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.898 4.239 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.572 4.718 3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.486 6.054 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.713 5.998 2.576 1.00 0.00 H new ATOM 778 N THR A 52 8.617 6.998 -1.513 1.00 0.00 N ATOM 779 CA THR A 52 9.227 7.471 -2.729 1.00 0.00 C ATOM 780 C THR A 52 8.936 6.505 -3.836 1.00 0.00 C ATOM 781 O THR A 52 8.217 5.526 -3.656 1.00 0.00 O ATOM 782 CB THR A 52 10.758 7.636 -2.510 1.00 0.00 C ATOM 783 OG1 THR A 52 11.379 8.005 -3.735 1.00 0.00 O ATOM 784 CG2 THR A 52 11.400 6.323 -1.988 1.00 0.00 C ATOM 0 H THR A 52 9.274 6.534 -0.886 1.00 0.00 H new ATOM 0 HA THR A 52 8.816 8.442 -3.004 1.00 0.00 H new ATOM 0 HB THR A 52 10.909 8.414 -1.762 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.036 8.875 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.470 6.473 -1.846 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.943 6.047 -1.038 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.239 5.526 -2.713 1.00 0.00 H new ATOM 792 N GLU A 53 9.485 6.824 -4.983 1.00 0.00 N ATOM 793 CA GLU A 53 9.285 6.038 -6.180 1.00 0.00 C ATOM 794 C GLU A 53 9.859 4.630 -6.023 1.00 0.00 C ATOM 795 O GLU A 53 9.142 3.653 -6.194 1.00 0.00 O ATOM 796 CB GLU A 53 9.935 6.764 -7.385 1.00 0.00 C ATOM 797 CG GLU A 53 9.216 8.118 -7.663 1.00 0.00 C ATOM 798 CD GLU A 53 9.836 8.847 -8.860 1.00 0.00 C ATOM 799 OE1 GLU A 53 10.662 8.261 -9.546 1.00 0.00 O ATOM 800 OE2 GLU A 53 9.459 9.985 -9.085 1.00 0.00 O ATOM 0 H GLU A 53 10.085 7.638 -5.115 1.00 0.00 H new ATOM 0 HA GLU A 53 8.214 5.934 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.991 6.942 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.882 6.130 -8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.158 7.937 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.277 8.752 -6.778 1.00 0.00 H new ATOM 807 N HIS A 54 11.174 4.531 -5.790 1.00 0.00 N ATOM 808 CA HIS A 54 11.826 3.205 -5.739 1.00 0.00 C ATOM 809 C HIS A 54 11.156 2.302 -4.691 1.00 0.00 C ATOM 810 O HIS A 54 10.795 1.167 -5.009 1.00 0.00 O ATOM 811 CB HIS A 54 13.336 3.378 -5.430 1.00 0.00 C ATOM 812 CG HIS A 54 14.053 2.045 -5.479 1.00 0.00 C ATOM 813 ND1 HIS A 54 14.527 1.421 -4.336 1.00 0.00 N ATOM 814 CD2 HIS A 54 14.345 1.198 -6.519 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.071 0.250 -4.710 1.00 0.00 C ATOM 816 NE2 HIS A 54 14.986 0.063 -6.030 1.00 0.00 N ATOM 0 H HIS A 54 11.797 5.324 -5.637 1.00 0.00 H new ATOM 0 HA HIS A 54 11.715 2.722 -6.710 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.783 4.063 -6.151 1.00 0.00 H new ATOM 0 HB3 HIS A 54 13.461 3.827 -4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.113 1.384 -7.557 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.522 -0.454 -4.026 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.319 -0.739 -6.565 1.00 0.00 H new ATOM 824 N GLU A 55 10.970 2.782 -3.452 1.00 0.00 N ATOM 825 CA GLU A 55 10.337 1.962 -2.411 1.00 0.00 C ATOM 826 C GLU A 55 8.912 1.570 -2.840 1.00 0.00 C ATOM 827 O GLU A 55 8.543 0.407 -2.776 1.00 0.00 O ATOM 828 CB GLU A 55 10.321 2.777 -1.080 1.00 0.00 C ATOM 829 CG GLU A 55 9.859 1.910 0.135 1.00 0.00 C ATOM 830 CD GLU A 55 10.880 0.813 0.470 1.00 0.00 C ATOM 831 OE1 GLU A 55 12.057 1.011 0.205 1.00 0.00 O ATOM 832 OE2 GLU A 55 10.469 -0.205 0.998 1.00 0.00 O ATOM 0 H GLU A 55 11.244 3.717 -3.151 1.00 0.00 H new ATOM 0 HA GLU A 55 10.900 1.041 -2.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.318 3.171 -0.885 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.655 3.633 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.714 2.550 1.005 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.895 1.454 -0.089 1.00 0.00 H new ATOM 839 N HIS A 56 8.121 2.551 -3.282 1.00 0.00 N ATOM 840 CA HIS A 56 6.739 2.292 -3.710 1.00 0.00 C ATOM 841 C HIS A 56 6.683 1.359 -4.945 1.00 0.00 C ATOM 842 O HIS A 56 5.943 0.374 -4.929 1.00 0.00 O ATOM 843 CB HIS A 56 6.042 3.639 -4.020 1.00 0.00 C ATOM 844 CG HIS A 56 4.603 3.418 -4.409 1.00 0.00 C ATOM 845 ND1 HIS A 56 3.552 3.654 -3.540 1.00 0.00 N ATOM 846 CD2 HIS A 56 4.049 2.934 -5.559 1.00 0.00 C ATOM 847 CE1 HIS A 56 2.424 3.306 -4.183 1.00 0.00 C ATOM 848 NE2 HIS A 56 2.674 2.858 -5.416 1.00 0.00 N ATOM 0 H HIS A 56 8.409 3.527 -3.354 1.00 0.00 H new ATOM 0 HA HIS A 56 6.218 1.782 -2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.092 4.289 -3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.568 4.149 -4.827 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.599 2.653 -6.445 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.435 3.380 -3.754 1.00 0.00 H new ATOM 0 HE2 HIS A 56 1.997 2.530 -6.105 1.00 0.00 H new ATOM 856 N GLN A 57 7.449 1.666 -6.021 1.00 0.00 N ATOM 857 CA GLN A 57 7.421 0.830 -7.234 1.00 0.00 C ATOM 858 C GLN A 57 7.859 -0.627 -6.929 1.00 0.00 C ATOM 859 O GLN A 57 7.260 -1.571 -7.450 1.00 0.00 O ATOM 860 CB GLN A 57 8.336 1.454 -8.348 1.00 0.00 C ATOM 861 CG GLN A 57 7.619 2.581 -9.170 1.00 0.00 C ATOM 862 CD GLN A 57 7.419 3.889 -8.395 1.00 0.00 C ATOM 863 OE1 GLN A 57 6.787 3.896 -7.261 1.00 0.00 O flip ATOM 864 NE2 GLN A 57 7.816 4.953 -8.868 1.00 0.00 N flip ATOM 0 H GLN A 57 8.078 2.468 -6.069 1.00 0.00 H new ATOM 0 HA GLN A 57 6.393 0.800 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.234 1.865 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.660 0.666 -9.028 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.202 2.788 -10.067 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.647 2.214 -9.499 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.314 4.961 -9.758 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.647 5.827 -8.370 1.00 0.00 H new ATOM 873 N GLN A 58 8.914 -0.803 -6.109 1.00 0.00 N ATOM 874 CA GLN A 58 9.422 -2.157 -5.788 1.00 0.00 C ATOM 875 C GLN A 58 8.334 -3.006 -5.104 1.00 0.00 C ATOM 876 O GLN A 58 8.028 -4.106 -5.564 1.00 0.00 O ATOM 877 CB GLN A 58 10.686 -2.026 -4.868 1.00 0.00 C ATOM 878 CG GLN A 58 11.951 -1.573 -5.676 1.00 0.00 C ATOM 879 CD GLN A 58 12.473 -2.701 -6.583 1.00 0.00 C ATOM 880 OE1 GLN A 58 12.756 -3.799 -6.100 1.00 0.00 O ATOM 881 NE2 GLN A 58 12.620 -2.491 -7.865 1.00 0.00 N ATOM 0 H GLN A 58 9.425 -0.041 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 58 9.699 -2.664 -6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 58 10.485 -1.306 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.886 -2.983 -4.387 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.704 -0.702 -6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.736 -1.268 -4.984 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.385 -1.582 -8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.969 -3.236 -8.467 1.00 0.00 H new ATOM 890 N MET A 59 7.755 -2.500 -4.008 1.00 0.00 N ATOM 891 CA MET A 59 6.714 -3.234 -3.268 1.00 0.00 C ATOM 892 C MET A 59 5.497 -3.481 -4.157 1.00 0.00 C ATOM 893 O MET A 59 4.880 -4.548 -4.106 1.00 0.00 O ATOM 894 CB MET A 59 6.336 -2.421 -2.006 1.00 0.00 C ATOM 895 CG MET A 59 7.595 -2.154 -1.142 1.00 0.00 C ATOM 896 SD MET A 59 8.220 -3.712 -0.423 1.00 0.00 S ATOM 897 CE MET A 59 9.722 -3.914 -1.425 1.00 0.00 C ATOM 0 H MET A 59 7.987 -1.589 -3.613 1.00 0.00 H new ATOM 0 HA MET A 59 7.093 -4.210 -2.963 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.879 -1.475 -2.298 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.595 -2.966 -1.422 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.371 -1.691 -1.752 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.354 -1.450 -0.345 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.203 -4.859 -1.173 1.00 0.00 H new ATOM 0 HE2 MET A 59 9.457 -3.912 -2.482 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.408 -3.092 -1.221 1.00 0.00 H new ATOM 907 N ARG A 60 5.144 -2.467 -4.962 1.00 0.00 N ATOM 908 CA ARG A 60 3.980 -2.577 -5.843 1.00 0.00 C ATOM 909 C ARG A 60 4.147 -3.750 -6.826 1.00 0.00 C ATOM 910 O ARG A 60 3.232 -4.566 -6.972 1.00 0.00 O ATOM 911 CB ARG A 60 3.842 -1.241 -6.614 1.00 0.00 C ATOM 912 CG ARG A 60 2.562 -1.235 -7.482 1.00 0.00 C ATOM 913 CD ARG A 60 2.418 0.094 -8.240 1.00 0.00 C ATOM 914 NE ARG A 60 3.498 0.237 -9.228 1.00 0.00 N ATOM 915 CZ ARG A 60 3.633 1.325 -10.008 1.00 0.00 C ATOM 916 NH1 ARG A 60 2.787 2.322 -9.933 1.00 0.00 N ATOM 917 NH2 ARG A 60 4.620 1.387 -10.863 1.00 0.00 N ATOM 0 H ARG A 60 5.640 -1.578 -5.019 1.00 0.00 H new ATOM 0 HA ARG A 60 3.083 -2.771 -5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.812 -0.411 -5.908 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.716 -1.090 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.596 -2.061 -8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.689 -1.394 -6.850 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.450 0.132 -8.741 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.446 0.927 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 60 4.173 -0.521 -9.326 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.009 2.282 -9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.906 3.138 -10.533 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.281 0.614 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.729 2.209 -11.458 1.00 0.00 H new ATOM 931 N ASP A 61 5.302 -3.837 -7.488 1.00 0.00 N ATOM 932 CA ASP A 61 5.574 -4.913 -8.443 1.00 0.00 C ATOM 933 C ASP A 61 5.627 -6.261 -7.726 1.00 0.00 C ATOM 934 O ASP A 61 5.210 -7.275 -8.274 1.00 0.00 O ATOM 935 CB ASP A 61 6.912 -4.629 -9.175 1.00 0.00 C ATOM 936 CG ASP A 61 7.184 -5.662 -10.281 1.00 0.00 C ATOM 937 OD1 ASP A 61 6.309 -5.853 -11.108 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.259 -6.243 -10.283 1.00 0.00 O ATOM 0 H ASP A 61 6.068 -3.172 -7.379 1.00 0.00 H new ATOM 0 HA ASP A 61 4.770 -4.953 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.885 -3.629 -9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 61 7.731 -4.642 -8.455 1.00 0.00 H new ATOM 943 N ASP A 62 6.161 -6.254 -6.496 1.00 0.00 N ATOM 944 CA ASP A 62 6.294 -7.479 -5.708 1.00 0.00 C ATOM 945 C ASP A 62 4.919 -8.006 -5.333 1.00 0.00 C ATOM 946 O ASP A 62 4.639 -9.192 -5.472 1.00 0.00 O ATOM 947 CB ASP A 62 7.101 -7.169 -4.420 1.00 0.00 C ATOM 948 CG ASP A 62 8.530 -6.716 -4.755 1.00 0.00 C ATOM 949 OD1 ASP A 62 9.061 -7.171 -5.759 1.00 0.00 O ATOM 950 OD2 ASP A 62 9.072 -5.922 -4.004 1.00 0.00 O ATOM 0 H ASP A 62 6.506 -5.415 -6.030 1.00 0.00 H new ATOM 0 HA ASP A 62 6.814 -8.234 -6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.595 -6.391 -3.849 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.137 -8.056 -3.788 1.00 0.00 H new ATOM 955 N LEU A 63 4.060 -7.105 -4.851 1.00 0.00 N ATOM 956 CA LEU A 63 2.715 -7.487 -4.433 1.00 0.00 C ATOM 957 C LEU A 63 1.881 -7.993 -5.622 1.00 0.00 C ATOM 958 O LEU A 63 1.252 -9.044 -5.523 1.00 0.00 O ATOM 959 CB LEU A 63 2.032 -6.288 -3.741 1.00 0.00 C ATOM 960 CG LEU A 63 0.701 -6.711 -2.982 1.00 0.00 C ATOM 961 CD1 LEU A 63 1.020 -7.295 -1.577 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.244 -5.494 -2.842 1.00 0.00 C ATOM 0 H LEU A 63 4.272 -6.113 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 63 2.788 -8.311 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.725 -5.837 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.798 -5.527 -4.485 1.00 0.00 H new ATOM 0 HG LEU A 63 0.208 -7.484 -3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.091 -7.576 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.655 -8.175 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.538 -6.544 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.152 -5.797 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.256 -4.709 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.502 -5.118 -3.832 1.00 0.00 H new ATOM 974 N GLU A 64 1.873 -7.256 -6.759 1.00 0.00 N ATOM 975 CA GLU A 64 1.097 -7.690 -7.930 1.00 0.00 C ATOM 976 C GLU A 64 1.545 -9.103 -8.373 1.00 0.00 C ATOM 977 O GLU A 64 0.715 -9.980 -8.626 1.00 0.00 O ATOM 978 CB GLU A 64 1.308 -6.651 -9.060 1.00 0.00 C ATOM 979 CG GLU A 64 0.403 -6.948 -10.283 1.00 0.00 C ATOM 980 CD GLU A 64 0.591 -5.892 -11.388 1.00 0.00 C ATOM 981 OE1 GLU A 64 1.126 -4.830 -11.102 1.00 0.00 O ATOM 982 OE2 GLU A 64 0.197 -6.170 -12.510 1.00 0.00 O ATOM 0 H GLU A 64 2.383 -6.382 -6.883 1.00 0.00 H new ATOM 0 HA GLU A 64 0.036 -7.748 -7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.093 -5.652 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.353 -6.656 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.636 -7.937 -10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.641 -6.968 -9.970 1.00 0.00 H new ATOM 989 N LYS A 65 2.861 -9.301 -8.454 1.00 0.00 N ATOM 990 CA LYS A 65 3.454 -10.592 -8.856 1.00 0.00 C ATOM 991 C LYS A 65 3.095 -11.708 -7.857 1.00 0.00 C ATOM 992 O LYS A 65 2.771 -12.834 -8.257 1.00 0.00 O ATOM 993 CB LYS A 65 5.003 -10.408 -8.938 1.00 0.00 C ATOM 994 CG LYS A 65 5.423 -9.462 -10.137 1.00 0.00 C ATOM 995 CD LYS A 65 5.548 -10.251 -11.476 1.00 0.00 C ATOM 996 CE LYS A 65 5.884 -9.287 -12.643 1.00 0.00 C ATOM 997 NZ LYS A 65 7.146 -8.551 -12.345 1.00 0.00 N ATOM 0 H LYS A 65 3.550 -8.578 -8.245 1.00 0.00 H new ATOM 0 HA LYS A 65 3.055 -10.891 -9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.369 -9.990 -8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.478 -11.381 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.685 -8.668 -10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.374 -8.983 -9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.326 -11.009 -11.387 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.615 -10.774 -11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.991 -9.849 -13.571 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.067 -8.581 -12.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.700 -8.443 -13.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.918 -7.612 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.702 -9.084 -11.646 1.00 0.00 H new ATOM 1011 N GLU A 66 3.130 -11.374 -6.558 1.00 0.00 N ATOM 1012 CA GLU A 66 2.787 -12.339 -5.496 1.00 0.00 C ATOM 1013 C GLU A 66 1.279 -12.644 -5.558 1.00 0.00 C ATOM 1014 O GLU A 66 0.881 -13.791 -5.441 1.00 0.00 O ATOM 1015 CB GLU A 66 3.189 -11.763 -4.098 1.00 0.00 C ATOM 1016 CG GLU A 66 4.737 -11.831 -3.857 1.00 0.00 C ATOM 1017 CD GLU A 66 5.210 -13.282 -3.661 1.00 0.00 C ATOM 1018 OE1 GLU A 66 4.679 -13.940 -2.781 1.00 0.00 O ATOM 1019 OE2 GLU A 66 6.098 -13.707 -4.386 1.00 0.00 O ATOM 0 H GLU A 66 3.391 -10.449 -6.216 1.00 0.00 H new ATOM 0 HA GLU A 66 3.339 -13.267 -5.646 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.856 -10.728 -4.023 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.675 -12.321 -3.315 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.259 -11.388 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.997 -11.240 -2.979 1.00 0.00 H new ATOM 1026 N ARG A 67 0.453 -11.601 -5.738 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.018 -11.764 -5.799 1.00 0.00 C ATOM 1028 C ARG A 67 -1.410 -12.799 -6.871 1.00 0.00 C ATOM 1029 O ARG A 67 -2.263 -13.653 -6.626 1.00 0.00 O ATOM 1030 CB ARG A 67 -1.696 -10.383 -6.105 1.00 0.00 C ATOM 1031 CG ARG A 67 -1.582 -9.371 -4.886 1.00 0.00 C ATOM 1032 CD ARG A 67 -2.904 -9.296 -4.062 1.00 0.00 C ATOM 1033 NE ARG A 67 -3.306 -10.641 -3.630 1.00 0.00 N ATOM 1034 CZ ARG A 67 -4.429 -10.875 -2.936 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -5.191 -9.892 -2.542 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -4.752 -12.102 -2.638 1.00 0.00 N ATOM 0 H ARG A 67 0.772 -10.638 -5.844 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.367 -12.127 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.232 -9.940 -6.986 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.747 -10.542 -6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.765 -9.680 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.332 -8.379 -5.261 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.764 -8.653 -3.193 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.693 -8.848 -4.666 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.705 -11.430 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.935 -8.929 -2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.042 -10.086 -2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -4.153 -12.873 -2.932 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.604 -12.291 -2.110 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.772 -12.724 -8.050 1.00 0.00 N ATOM 1051 CA GLU A 68 -1.056 -13.664 -9.149 1.00 0.00 C ATOM 1052 C GLU A 68 -0.690 -15.093 -8.710 1.00 0.00 C ATOM 1053 O GLU A 68 -1.563 -15.961 -8.600 1.00 0.00 O ATOM 1054 CB GLU A 68 -0.247 -13.234 -10.404 1.00 0.00 C ATOM 1055 CG GLU A 68 -0.624 -14.076 -11.662 1.00 0.00 C ATOM 1056 CD GLU A 68 -2.077 -13.830 -12.093 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -2.581 -12.744 -11.844 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -2.661 -14.728 -12.677 1.00 0.00 O ATOM 0 H GLU A 68 -0.060 -12.027 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.117 -13.648 -9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.428 -12.179 -10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.819 -13.342 -10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.047 -13.824 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.482 -15.135 -11.447 1.00 0.00 H new ATOM 1065 N ASP A 69 0.609 -15.327 -8.465 1.00 0.00 N ATOM 1066 CA ASP A 69 1.091 -16.657 -8.040 1.00 0.00 C ATOM 1067 C ASP A 69 0.307 -17.156 -6.800 1.00 0.00 C ATOM 1068 O ASP A 69 -0.097 -18.319 -6.743 1.00 0.00 O ATOM 1069 CB ASP A 69 2.612 -16.594 -7.740 1.00 0.00 C ATOM 1070 CG ASP A 69 3.389 -16.082 -8.964 1.00 0.00 C ATOM 1071 OD1 ASP A 69 3.030 -16.456 -10.069 1.00 0.00 O ATOM 1072 OD2 ASP A 69 4.340 -15.336 -8.778 1.00 0.00 O ATOM 0 H ASP A 69 1.341 -14.622 -8.552 1.00 0.00 H new ATOM 0 HA ASP A 69 0.921 -17.367 -8.850 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.792 -15.938 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.974 -17.584 -7.462 1.00 0.00 H new ATOM 1077 N LEU A 70 0.103 -16.267 -5.812 1.00 0.00 N ATOM 1078 CA LEU A 70 -0.625 -16.613 -4.569 1.00 0.00 C ATOM 1079 C LEU A 70 -2.063 -17.042 -4.876 1.00 0.00 C ATOM 1080 O LEU A 70 -2.563 -18.007 -4.298 1.00 0.00 O ATOM 1081 CB LEU A 70 -0.625 -15.384 -3.604 1.00 0.00 C ATOM 1082 CG LEU A 70 -1.385 -15.650 -2.248 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -0.729 -16.808 -1.436 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -1.399 -14.339 -1.403 1.00 0.00 C ATOM 0 H LEU A 70 0.431 -15.302 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.118 -17.451 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.405 -15.104 -3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.086 -14.535 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.406 -15.954 -2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.281 -16.961 -0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.751 -17.724 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.304 -16.550 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.923 -14.517 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.375 -14.030 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.909 -13.553 -1.960 1.00 0.00 H new ATOM 1096 N ASP A 71 -2.736 -16.322 -5.780 1.00 0.00 N ATOM 1097 CA ASP A 71 -4.129 -16.643 -6.136 1.00 0.00 C ATOM 1098 C ASP A 71 -4.205 -18.073 -6.692 1.00 0.00 C ATOM 1099 O ASP A 71 -4.985 -18.895 -6.209 1.00 0.00 O ATOM 1100 CB ASP A 71 -4.651 -15.616 -7.178 1.00 0.00 C ATOM 1101 CG ASP A 71 -6.114 -15.893 -7.554 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -6.924 -15.990 -6.646 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -6.402 -16.005 -8.737 1.00 0.00 O ATOM 0 H ASP A 71 -2.347 -15.520 -6.276 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.758 -16.585 -5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.562 -14.608 -6.773 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.030 -15.656 -8.073 1.00 0.00 H new ATOM 1108 N LEU A 72 -3.389 -18.353 -7.714 1.00 0.00 N ATOM 1109 CA LEU A 72 -3.360 -19.683 -8.346 1.00 0.00 C ATOM 1110 C LEU A 72 -2.619 -20.698 -7.449 1.00 0.00 C ATOM 1111 O LEU A 72 -1.735 -21.431 -7.913 1.00 0.00 O ATOM 1112 CB LEU A 72 -2.666 -19.567 -9.748 1.00 0.00 C ATOM 1113 CG LEU A 72 -2.978 -20.829 -10.668 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -4.299 -20.616 -11.471 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -1.807 -21.091 -11.661 1.00 0.00 C ATOM 0 H LEU A 72 -2.740 -17.680 -8.123 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.380 -20.044 -8.477 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.006 -18.660 -10.248 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.588 -19.473 -9.614 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.093 -21.694 -10.015 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.492 -21.490 -12.092 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.128 -20.474 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.201 -19.735 -12.105 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.041 -21.957 -12.279 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.668 -20.217 -12.298 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.891 -21.282 -11.101 1.00 0.00 H new ATOM 1127 N ASP A 73 -3.006 -20.749 -6.165 1.00 0.00 N ATOM 1128 CA ASP A 73 -2.394 -21.684 -5.200 1.00 0.00 C ATOM 1129 C ASP A 73 -2.777 -23.133 -5.541 1.00 0.00 C ATOM 1130 O ASP A 73 -2.463 -24.056 -4.791 1.00 0.00 O ATOM 1131 CB ASP A 73 -2.871 -21.327 -3.766 1.00 0.00 C ATOM 1132 CG ASP A 73 -4.404 -21.252 -3.713 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -5.044 -22.116 -4.289 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -4.916 -20.325 -3.102 1.00 0.00 O ATOM 0 H ASP A 73 -3.737 -20.158 -5.769 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.309 -21.595 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.513 -22.076 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.443 -20.372 -3.461 1.00 0.00 H new ATOM 1139 N HIS A 74 -3.447 -23.318 -6.686 1.00 0.00 N ATOM 1140 CA HIS A 74 -3.863 -24.644 -7.150 1.00 0.00 C ATOM 1141 C HIS A 74 -2.634 -25.439 -7.590 1.00 0.00 C ATOM 1142 O HIS A 74 -2.576 -26.657 -7.414 1.00 0.00 O ATOM 1143 CB HIS A 74 -4.849 -24.485 -8.334 1.00 0.00 C ATOM 1144 CG HIS A 74 -6.066 -23.710 -7.894 1.00 0.00 C ATOM 1145 ND1 HIS A 74 -6.191 -22.348 -8.113 1.00 0.00 N ATOM 1146 CD2 HIS A 74 -7.212 -24.093 -7.244 1.00 0.00 C ATOM 1147 CE1 HIS A 74 -7.373 -21.962 -7.602 1.00 0.00 C ATOM 1148 NE2 HIS A 74 -8.035 -22.985 -7.059 1.00 0.00 N ATOM 0 H HIS A 74 -3.713 -22.557 -7.311 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.359 -25.180 -6.341 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -4.358 -23.969 -9.159 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.147 -25.466 -8.704 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -7.441 -25.099 -6.925 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -7.742 -20.947 -7.628 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -8.948 -22.961 -6.605 1.00 0.00 H new ATOM 1156 N SER A 75 -1.652 -24.732 -8.170 1.00 0.00 N ATOM 1157 CA SER A 75 -0.414 -25.369 -8.650 1.00 0.00 C ATOM 1158 C SER A 75 0.638 -24.306 -8.988 1.00 0.00 C ATOM 1159 O SER A 75 0.688 -23.801 -10.113 1.00 0.00 O ATOM 1160 CB SER A 75 -0.713 -26.216 -9.904 1.00 0.00 C ATOM 1161 OG SER A 75 -1.126 -25.358 -10.961 1.00 0.00 O ATOM 0 H SER A 75 -1.690 -23.723 -8.318 1.00 0.00 H new ATOM 0 HA SER A 75 -0.025 -26.012 -7.861 1.00 0.00 H new ATOM 0 HB2 SER A 75 0.175 -26.776 -10.200 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.493 -26.946 -9.687 1.00 0.00 H new ATOM 0 HG SER A 75 -0.582 -24.543 -10.952 1.00 0.00 H new ATOM 1167 N SER A 76 1.487 -23.978 -8.004 1.00 0.00 N ATOM 1168 CA SER A 76 2.550 -22.984 -8.188 1.00 0.00 C ATOM 1169 C SER A 76 3.542 -23.438 -9.267 1.00 0.00 C ATOM 1170 O SER A 76 4.079 -22.619 -10.013 1.00 0.00 O ATOM 1171 CB SER A 76 3.292 -22.784 -6.855 1.00 0.00 C ATOM 1172 OG SER A 76 3.972 -23.988 -6.517 1.00 0.00 O ATOM 0 H SER A 76 1.457 -24.389 -7.071 1.00 0.00 H new ATOM 0 HA SER A 76 2.100 -22.045 -8.509 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.002 -21.962 -6.939 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.587 -22.516 -6.068 1.00 0.00 H new ATOM 0 HG SER A 76 4.449 -23.868 -5.669 1.00 0.00 H new ATOM 1178 N LEU A 77 3.778 -24.755 -9.335 1.00 0.00 N ATOM 1179 CA LEU A 77 4.709 -25.341 -10.315 1.00 0.00 C ATOM 1180 C LEU A 77 4.143 -25.174 -11.754 1.00 0.00 C ATOM 1181 O LEU A 77 2.919 -25.208 -11.924 1.00 0.00 O ATOM 1182 CB LEU A 77 4.912 -26.866 -9.980 1.00 0.00 C ATOM 1183 CG LEU A 77 3.522 -27.603 -9.664 1.00 0.00 C ATOM 1184 CD1 LEU A 77 3.441 -28.978 -10.390 1.00 0.00 C ATOM 1185 CD2 LEU A 77 3.347 -27.829 -8.124 1.00 0.00 C ATOM 0 H LEU A 77 3.336 -25.439 -8.721 1.00 0.00 H new ATOM 0 HA LEU A 77 5.669 -24.828 -10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.401 -27.360 -10.820 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.577 -26.963 -9.122 1.00 0.00 H new ATOM 0 HG LEU A 77 2.723 -26.957 -10.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.489 -29.456 -10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.519 -28.826 -11.467 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.258 -29.616 -10.054 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.398 -28.330 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.164 -28.447 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.358 -26.867 -7.612 1.00 0.00 H new ATOM 1197 N PRO A 78 4.981 -25.019 -12.799 1.00 0.00 N ATOM 1198 CA PRO A 78 4.474 -24.876 -14.214 1.00 0.00 C ATOM 1199 C PRO A 78 3.935 -26.224 -14.728 1.00 0.00 C ATOM 1200 O PRO A 78 4.732 -27.097 -15.016 1.00 0.00 O ATOM 1201 CB PRO A 78 5.738 -24.411 -14.998 1.00 0.00 C ATOM 1202 CG PRO A 78 6.866 -25.092 -14.265 1.00 0.00 C ATOM 1203 CD PRO A 78 6.477 -24.969 -12.769 1.00 0.00 C ATOM 1204 OXT PRO A 78 2.725 -26.360 -14.824 1.00 0.00 O ATOM 0 HA PRO A 78 3.644 -24.177 -14.318 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.697 -24.713 -16.044 1.00 0.00 H new ATOM 0 HB3 PRO A 78 5.845 -23.326 -14.983 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.964 -26.135 -14.566 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.822 -24.610 -14.469 1.00 0.00 H new ATOM 0 HD2 PRO A 78 6.895 -25.782 -12.176 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.840 -24.038 -12.334 1.00 0.00 H new TER 1212 PRO A 78