USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 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= -1.99! C(o=-9.4!,f=-12!) USER MOD Set 1.2: A 57 GLN : amide:sc= -7.43! C(o=-9.4!,f=-13!) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 ASN N :NH3+ -165:sc= -0.0171 (180deg=-0.251) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 109:sc= 0.908 USER MOD Single : A 12 GLN : amide:sc= -0.0546 X(o=-0.055,f=-0.055) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.0619 (180deg=-0.451) USER MOD Single : A 18 ASN : amide:sc= -1.38 K(o=-1.4,f=-3.1!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) 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 HD1:sc= -1.08 K(o=-1.1,f=-2.6!) USER MOD Single : A 32 THR OG1 : rot 140:sc= -0.0936 USER MOD Single : A 41 THR OG1 : rot 55:sc= 1.32 USER MOD Single : A 42 LYS NZ :NH3+ -159:sc= -0.087 (180deg=-0.69) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0533 USER MOD Single : A 45 GLN :FLIP amide:sc= -2.41 F(o=-3.5!,f=-2.4) USER MOD Single : A 49 GLN : amide:sc= -4.65! C(o=-4.6!,f=-5.3!) USER MOD Single : A 52 THR OG1 : rot 63:sc= -0.0191 USER MOD Single : A 54 HIS : no HD1:sc= -0.0509 X(o=-0.051,f=-0.051) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= -0.0827 (180deg=-0.627) USER MOD Single : A 74 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.01) USER MOD Single : A 75 SER OG : rot -49:sc= 1.09 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -14.913 -9.472 -6.693 1.00 0.00 N ATOM 2 CA ASN A 1 -13.775 -8.723 -6.084 1.00 0.00 C ATOM 3 C ASN A 1 -12.649 -8.597 -7.119 1.00 0.00 C ATOM 4 O ASN A 1 -11.904 -7.617 -7.113 1.00 0.00 O ATOM 5 CB ASN A 1 -13.270 -9.478 -4.826 1.00 0.00 C ATOM 6 CG ASN A 1 -12.149 -8.694 -4.130 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.969 -9.004 -4.304 1.00 0.00 O ATOM 8 ND2 ASN A 1 -12.455 -7.690 -3.358 1.00 0.00 N ATOM 0 H1 ASN A 1 -15.764 -9.346 -6.108 1.00 0.00 H new ATOM 0 H2 ASN A 1 -15.094 -9.109 -7.651 1.00 0.00 H new ATOM 0 H3 ASN A 1 -14.675 -10.483 -6.745 1.00 0.00 H new ATOM 0 HA ASN A 1 -14.101 -7.727 -5.785 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -14.097 -9.631 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -12.906 -10.465 -5.111 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.717 -7.159 -2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -13.432 -7.435 -3.216 1.00 0.00 H new ATOM 17 N THR A 2 -12.521 -9.607 -7.996 1.00 0.00 N ATOM 18 CA THR A 2 -11.466 -9.614 -9.033 1.00 0.00 C ATOM 19 C THR A 2 -11.640 -8.417 -9.980 1.00 0.00 C ATOM 20 O THR A 2 -10.681 -7.703 -10.282 1.00 0.00 O ATOM 21 CB THR A 2 -11.516 -10.956 -9.824 1.00 0.00 C ATOM 22 OG1 THR A 2 -11.540 -12.031 -8.897 1.00 0.00 O ATOM 23 CG2 THR A 2 -10.281 -11.118 -10.749 1.00 0.00 C ATOM 0 H THR A 2 -13.129 -10.426 -8.011 1.00 0.00 H new ATOM 0 HA THR A 2 -10.491 -9.526 -8.553 1.00 0.00 H new ATOM 0 HB THR A 2 -12.411 -10.955 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 2 -11.573 -12.881 -9.383 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.349 -12.065 -11.285 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.253 -10.297 -11.465 1.00 0.00 H new ATOM 0 HG23 THR A 2 -9.372 -11.106 -10.148 1.00 0.00 H new ATOM 31 N VAL A 3 -12.887 -8.217 -10.440 1.00 0.00 N ATOM 32 CA VAL A 3 -13.231 -7.115 -11.356 1.00 0.00 C ATOM 33 C VAL A 3 -12.910 -5.757 -10.715 1.00 0.00 C ATOM 34 O VAL A 3 -12.548 -4.802 -11.406 1.00 0.00 O ATOM 35 CB VAL A 3 -14.749 -7.208 -11.741 1.00 0.00 C ATOM 36 CG1 VAL A 3 -15.024 -8.544 -12.500 1.00 0.00 C ATOM 37 CG2 VAL A 3 -15.647 -7.142 -10.466 1.00 0.00 C ATOM 0 H VAL A 3 -13.679 -8.809 -10.190 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.631 -7.203 -12.262 1.00 0.00 H new ATOM 0 HB VAL A 3 -14.991 -6.363 -12.386 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -16.080 -8.602 -12.764 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -14.421 -8.578 -13.407 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -14.764 -9.387 -11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -16.696 -7.208 -10.756 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -15.400 -7.972 -9.804 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -15.473 -6.200 -9.947 1.00 0.00 H new ATOM 47 N ASP A 4 -13.043 -5.692 -9.383 1.00 0.00 N ATOM 48 CA ASP A 4 -12.765 -4.462 -8.625 1.00 0.00 C ATOM 49 C ASP A 4 -11.239 -4.257 -8.528 1.00 0.00 C ATOM 50 O ASP A 4 -10.564 -4.923 -7.741 1.00 0.00 O ATOM 51 CB ASP A 4 -13.390 -4.579 -7.207 1.00 0.00 C ATOM 52 CG ASP A 4 -14.895 -4.865 -7.306 1.00 0.00 C ATOM 53 OD1 ASP A 4 -15.533 -4.285 -8.171 1.00 0.00 O ATOM 54 OD2 ASP A 4 -15.389 -5.653 -6.512 1.00 0.00 O ATOM 0 H ASP A 4 -13.342 -6.478 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.204 -3.603 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.898 -5.377 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.225 -3.655 -6.653 1.00 0.00 H new ATOM 59 N ASP A 5 -10.708 -3.333 -9.346 1.00 0.00 N ATOM 60 CA ASP A 5 -9.270 -3.025 -9.371 1.00 0.00 C ATOM 61 C ASP A 5 -8.885 -2.262 -8.090 1.00 0.00 C ATOM 62 O ASP A 5 -8.478 -1.096 -8.139 1.00 0.00 O ATOM 63 CB ASP A 5 -8.963 -2.182 -10.640 1.00 0.00 C ATOM 64 CG ASP A 5 -9.827 -0.913 -10.647 1.00 0.00 C ATOM 65 OD1 ASP A 5 -11.034 -1.049 -10.556 1.00 0.00 O ATOM 66 OD2 ASP A 5 -9.269 0.170 -10.746 1.00 0.00 O ATOM 0 H ASP A 5 -11.260 -2.782 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.683 -3.943 -9.407 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.907 -1.913 -10.662 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.160 -2.772 -11.535 1.00 0.00 H new ATOM 71 N ILE A 6 -9.012 -2.938 -6.936 1.00 0.00 N ATOM 72 CA ILE A 6 -8.677 -2.336 -5.634 1.00 0.00 C ATOM 73 C ILE A 6 -7.159 -2.132 -5.532 1.00 0.00 C ATOM 74 O ILE A 6 -6.682 -1.285 -4.774 1.00 0.00 O ATOM 75 CB ILE A 6 -9.202 -3.258 -4.473 1.00 0.00 C ATOM 76 CG1 ILE A 6 -8.609 -4.708 -4.616 1.00 0.00 C ATOM 77 CG2 ILE A 6 -10.763 -3.309 -4.515 1.00 0.00 C ATOM 78 CD1 ILE A 6 -8.939 -5.586 -3.391 1.00 0.00 C ATOM 0 H ILE A 6 -9.344 -3.901 -6.878 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.160 -1.363 -5.545 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.880 -2.847 -3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.007 -5.176 -5.516 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -7.528 -4.648 -4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.128 -3.948 -3.711 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.163 -2.303 -4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -11.088 -3.712 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.512 -6.579 -3.529 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.518 -5.132 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.021 -5.668 -3.283 1.00 0.00 H new ATOM 90 N SER A 7 -6.412 -2.927 -6.312 1.00 0.00 N ATOM 91 CA SER A 7 -4.940 -2.863 -6.332 1.00 0.00 C ATOM 92 C SER A 7 -4.463 -1.498 -6.845 1.00 0.00 C ATOM 93 O SER A 7 -3.271 -1.184 -6.782 1.00 0.00 O ATOM 94 CB SER A 7 -4.386 -3.988 -7.236 1.00 0.00 C ATOM 95 OG SER A 7 -4.765 -5.246 -6.697 1.00 0.00 O ATOM 0 H SER A 7 -6.805 -3.627 -6.942 1.00 0.00 H new ATOM 0 HA SER A 7 -4.570 -2.996 -5.315 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.773 -3.881 -8.249 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.300 -3.918 -7.300 1.00 0.00 H new ATOM 0 HG SER A 7 -4.418 -5.964 -7.267 1.00 0.00 H new ATOM 101 N GLU A 8 -5.412 -0.686 -7.338 1.00 0.00 N ATOM 102 CA GLU A 8 -5.105 0.657 -7.852 1.00 0.00 C ATOM 103 C GLU A 8 -4.697 1.580 -6.697 1.00 0.00 C ATOM 104 O GLU A 8 -3.790 2.396 -6.841 1.00 0.00 O ATOM 105 CB GLU A 8 -6.351 1.231 -8.600 1.00 0.00 C ATOM 106 CG GLU A 8 -6.013 2.576 -9.316 1.00 0.00 C ATOM 107 CD GLU A 8 -7.219 3.140 -10.089 1.00 0.00 C ATOM 108 OE1 GLU A 8 -8.333 2.694 -9.856 1.00 0.00 O ATOM 109 OE2 GLU A 8 -7.004 4.029 -10.898 1.00 0.00 O ATOM 0 H GLU A 8 -6.399 -0.937 -7.391 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.273 0.594 -8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.704 0.505 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.163 1.388 -7.890 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.683 3.306 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.182 2.421 -10.004 1.00 0.00 H new ATOM 116 N SER A 9 -5.389 1.449 -5.548 1.00 0.00 N ATOM 117 CA SER A 9 -5.105 2.288 -4.366 1.00 0.00 C ATOM 118 C SER A 9 -3.669 2.076 -3.866 1.00 0.00 C ATOM 119 O SER A 9 -2.960 3.034 -3.564 1.00 0.00 O ATOM 120 CB SER A 9 -6.097 1.958 -3.236 1.00 0.00 C ATOM 121 OG SER A 9 -5.807 2.777 -2.110 1.00 0.00 O ATOM 0 H SER A 9 -6.143 0.776 -5.413 1.00 0.00 H new ATOM 0 HA SER A 9 -5.217 3.332 -4.660 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.120 2.128 -3.572 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.022 0.905 -2.965 1.00 0.00 H new ATOM 0 HG SER A 9 -6.515 3.446 -2.001 1.00 0.00 H new ATOM 127 N LEU A 10 -3.259 0.803 -3.772 1.00 0.00 N ATOM 128 CA LEU A 10 -1.921 0.430 -3.310 1.00 0.00 C ATOM 129 C LEU A 10 -0.847 0.979 -4.244 1.00 0.00 C ATOM 130 O LEU A 10 0.180 1.495 -3.789 1.00 0.00 O ATOM 131 CB LEU A 10 -1.831 -1.132 -3.277 1.00 0.00 C ATOM 132 CG LEU A 10 -3.060 -1.776 -2.540 1.00 0.00 C ATOM 133 CD1 LEU A 10 -2.920 -3.320 -2.517 1.00 0.00 C ATOM 134 CD2 LEU A 10 -3.185 -1.232 -1.096 1.00 0.00 C ATOM 0 H LEU A 10 -3.848 0.006 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.754 0.850 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.779 -1.514 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.910 -1.432 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.964 -1.508 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.777 -3.755 -2.004 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.879 -3.697 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.005 -3.595 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.043 -1.693 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.279 -1.469 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.321 -0.151 -1.125 1.00 0.00 H new ATOM 146 N ARG A 11 -1.081 0.853 -5.557 1.00 0.00 N ATOM 147 CA ARG A 11 -0.117 1.335 -6.543 1.00 0.00 C ATOM 148 C ARG A 11 -0.125 2.866 -6.573 1.00 0.00 C ATOM 149 O ARG A 11 0.902 3.496 -6.405 1.00 0.00 O ATOM 150 CB ARG A 11 -0.504 0.770 -7.942 1.00 0.00 C ATOM 151 CG ARG A 11 0.546 1.177 -9.017 1.00 0.00 C ATOM 152 CD ARG A 11 0.191 0.599 -10.401 1.00 0.00 C ATOM 153 NE ARG A 11 1.204 1.038 -11.377 1.00 0.00 N ATOM 154 CZ ARG A 11 1.275 2.301 -11.840 1.00 0.00 C ATOM 155 NH1 ARG A 11 0.418 3.215 -11.451 1.00 0.00 N ATOM 156 NH2 ARG A 11 2.220 2.625 -12.679 1.00 0.00 N ATOM 0 H ARG A 11 -1.919 0.427 -5.953 1.00 0.00 H new ATOM 0 HA ARG A 11 0.885 0.998 -6.277 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.577 -0.316 -7.892 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.487 1.142 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.602 2.264 -9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.532 0.823 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.157 -0.490 -10.357 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.799 0.937 -10.708 1.00 0.00 H new ATOM 0 HE ARG A 11 1.881 0.355 -11.717 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.318 2.974 -10.787 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.488 4.166 -11.813 1.00 0.00 H new ATOM 0 HH21 ARG A 11 2.898 1.924 -12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.281 3.579 -13.035 1.00 0.00 H new ATOM 170 N GLN A 12 -1.313 3.440 -6.787 1.00 0.00 N ATOM 171 CA GLN A 12 -1.496 4.903 -6.865 1.00 0.00 C ATOM 172 C GLN A 12 -0.496 5.538 -7.870 1.00 0.00 C ATOM 173 O GLN A 12 -0.857 5.866 -9.002 1.00 0.00 O ATOM 174 CB GLN A 12 -1.336 5.521 -5.453 1.00 0.00 C ATOM 175 CG GLN A 12 -1.708 7.042 -5.416 1.00 0.00 C ATOM 176 CD GLN A 12 -3.208 7.237 -5.639 1.00 0.00 C ATOM 177 OE1 GLN A 12 -3.630 7.768 -6.668 1.00 0.00 O ATOM 178 NE2 GLN A 12 -4.034 6.826 -4.718 1.00 0.00 N ATOM 0 H GLN A 12 -2.176 2.910 -6.911 1.00 0.00 H new ATOM 0 HA GLN A 12 -2.501 5.114 -7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.968 4.979 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.306 5.394 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.420 7.469 -4.455 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.149 7.577 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.675 6.388 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.039 6.943 -4.846 1.00 0.00 H new ATOM 187 N GLY A 13 0.764 5.683 -7.425 1.00 0.00 N ATOM 188 CA GLY A 13 1.859 6.256 -8.224 1.00 0.00 C ATOM 189 C GLY A 13 1.891 7.773 -8.072 1.00 0.00 C ATOM 190 O GLY A 13 2.510 8.477 -8.869 1.00 0.00 O ATOM 0 H GLY A 13 1.053 5.402 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.811 5.832 -7.905 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.729 5.992 -9.273 1.00 0.00 H new ATOM 194 N GLY A 14 1.215 8.264 -7.024 1.00 0.00 N ATOM 195 CA GLY A 14 1.150 9.705 -6.723 1.00 0.00 C ATOM 196 C GLY A 14 2.471 10.207 -6.140 1.00 0.00 C ATOM 197 O GLY A 14 2.780 11.398 -6.208 1.00 0.00 O ATOM 0 H GLY A 14 0.701 7.680 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.917 10.259 -7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.342 9.896 -6.017 1.00 0.00 H new ATOM 201 N GLY A 15 3.248 9.284 -5.550 1.00 0.00 N ATOM 202 CA GLY A 15 4.549 9.606 -4.930 1.00 0.00 C ATOM 203 C GLY A 15 4.379 9.885 -3.438 1.00 0.00 C ATOM 204 O GLY A 15 4.747 9.066 -2.599 1.00 0.00 O ATOM 0 H GLY A 15 2.996 8.298 -5.488 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.242 8.777 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.986 10.476 -5.421 1.00 0.00 H new ATOM 208 N LYS A 16 3.802 11.047 -3.119 1.00 0.00 N ATOM 209 CA LYS A 16 3.568 11.440 -1.721 1.00 0.00 C ATOM 210 C LYS A 16 2.442 10.587 -1.145 1.00 0.00 C ATOM 211 O LYS A 16 1.313 10.633 -1.629 1.00 0.00 O ATOM 212 CB LYS A 16 3.175 12.920 -1.649 1.00 0.00 C ATOM 213 CG LYS A 16 4.266 13.822 -2.323 1.00 0.00 C ATOM 214 CD LYS A 16 4.105 15.317 -1.904 1.00 0.00 C ATOM 215 CE LYS A 16 2.661 15.821 -2.172 1.00 0.00 C ATOM 216 NZ LYS A 16 2.258 15.474 -3.565 1.00 0.00 N ATOM 0 H LYS A 16 3.488 11.733 -3.806 1.00 0.00 H new ATOM 0 HA LYS A 16 4.481 11.288 -1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.216 13.070 -2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.045 13.216 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.258 13.468 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.193 13.736 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.342 15.429 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.816 15.931 -2.456 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.970 15.370 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.609 16.900 -2.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.613 16.203 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.103 15.424 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.776 14.552 -3.568 1.00 0.00 H new ATOM 230 N LEU A 17 2.779 9.798 -0.140 1.00 0.00 N ATOM 231 CA LEU A 17 1.836 8.873 0.503 1.00 0.00 C ATOM 232 C LEU A 17 2.272 8.640 1.935 1.00 0.00 C ATOM 233 O LEU A 17 3.430 8.386 2.191 1.00 0.00 O ATOM 234 CB LEU A 17 1.823 7.510 -0.296 1.00 0.00 C ATOM 235 CG LEU A 17 0.702 7.463 -1.395 1.00 0.00 C ATOM 236 CD1 LEU A 17 0.921 6.229 -2.316 1.00 0.00 C ATOM 237 CD2 LEU A 17 -0.749 7.496 -0.744 1.00 0.00 C ATOM 0 H LEU A 17 3.716 9.774 0.262 1.00 0.00 H new ATOM 0 HA LEU A 17 0.831 9.295 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.795 7.360 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.677 6.686 0.402 1.00 0.00 H new ATOM 0 HG LEU A 17 0.771 8.356 -2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.141 6.200 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.896 6.303 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.880 5.318 -1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.502 7.462 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.873 6.635 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.868 8.413 -0.167 1.00 0.00 H new ATOM 249 N ASN A 18 1.309 8.699 2.842 1.00 0.00 N ATOM 250 CA ASN A 18 1.518 8.496 4.277 1.00 0.00 C ATOM 251 C ASN A 18 0.426 7.554 4.756 1.00 0.00 C ATOM 252 O ASN A 18 -0.688 7.603 4.248 1.00 0.00 O ATOM 253 CB ASN A 18 1.404 9.881 5.056 1.00 0.00 C ATOM 254 CG ASN A 18 1.299 11.064 4.080 1.00 0.00 C ATOM 255 OD1 ASN A 18 2.144 11.217 3.204 1.00 0.00 O ATOM 256 ND2 ASN A 18 0.296 11.893 4.171 1.00 0.00 N ATOM 0 H ASN A 18 0.337 8.893 2.601 1.00 0.00 H new ATOM 0 HA ASN A 18 2.509 8.084 4.464 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.529 9.864 5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 18 2.275 10.012 5.698 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.214 12.669 3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.406 11.766 4.899 1.00 0.00 H new ATOM 263 N PHE A 19 0.774 6.671 5.681 1.00 0.00 N ATOM 264 CA PHE A 19 -0.144 5.673 6.258 1.00 0.00 C ATOM 265 C PHE A 19 -1.595 6.176 6.370 1.00 0.00 C ATOM 266 O PHE A 19 -2.535 5.391 6.298 1.00 0.00 O ATOM 267 CB PHE A 19 0.386 5.315 7.669 1.00 0.00 C ATOM 268 CG PHE A 19 0.357 6.584 8.556 1.00 0.00 C ATOM 269 CD1 PHE A 19 1.432 7.497 8.509 1.00 0.00 C ATOM 270 CD2 PHE A 19 -0.748 6.861 9.393 1.00 0.00 C ATOM 271 CE1 PHE A 19 1.406 8.661 9.285 1.00 0.00 C ATOM 272 CE2 PHE A 19 -0.766 8.032 10.171 1.00 0.00 C ATOM 273 CZ PHE A 19 0.311 8.931 10.116 1.00 0.00 C ATOM 0 H PHE A 19 1.717 6.619 6.065 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.169 4.808 5.595 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.227 4.531 8.114 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.402 4.926 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.280 7.296 7.870 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.579 6.173 9.435 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.233 9.354 9.243 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.610 8.240 10.812 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.295 9.830 10.714 1.00 0.00 H new ATOM 283 N ASP A 20 -1.747 7.500 6.581 1.00 0.00 N ATOM 284 CA ASP A 20 -3.072 8.100 6.734 1.00 0.00 C ATOM 285 C ASP A 20 -3.766 8.123 5.381 1.00 0.00 C ATOM 286 O ASP A 20 -4.922 7.772 5.257 1.00 0.00 O ATOM 287 CB ASP A 20 -2.870 9.539 7.285 1.00 0.00 C ATOM 288 CG ASP A 20 -4.208 10.206 7.614 1.00 0.00 C ATOM 289 OD1 ASP A 20 -4.885 9.712 8.500 1.00 0.00 O ATOM 290 OD2 ASP A 20 -4.539 11.195 6.975 1.00 0.00 O ATOM 0 H ASP A 20 -0.973 8.161 6.647 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.695 7.529 7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.250 9.503 8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.334 10.139 6.550 1.00 0.00 H new ATOM 295 N GLU A 21 -3.013 8.532 4.369 1.00 0.00 N ATOM 296 CA GLU A 21 -3.534 8.622 2.993 1.00 0.00 C ATOM 297 C GLU A 21 -4.023 7.236 2.542 1.00 0.00 C ATOM 298 O GLU A 21 -5.084 7.111 1.931 1.00 0.00 O ATOM 299 CB GLU A 21 -2.421 9.152 2.034 1.00 0.00 C ATOM 300 CG GLU A 21 -1.992 10.599 2.404 1.00 0.00 C ATOM 301 CD GLU A 21 -3.132 11.608 2.165 1.00 0.00 C ATOM 302 OE1 GLU A 21 -3.673 11.607 1.069 1.00 0.00 O ATOM 303 OE2 GLU A 21 -3.438 12.366 3.071 1.00 0.00 O ATOM 0 H GLU A 21 -2.036 8.809 4.466 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.371 9.320 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.555 8.492 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.784 9.131 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.689 10.633 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.123 10.884 1.811 1.00 0.00 H new ATOM 310 N LEU A 22 -3.261 6.204 2.902 1.00 0.00 N ATOM 311 CA LEU A 22 -3.628 4.815 2.573 1.00 0.00 C ATOM 312 C LEU A 22 -4.752 4.326 3.434 1.00 0.00 C ATOM 313 O LEU A 22 -5.710 3.759 2.944 1.00 0.00 O ATOM 314 CB LEU A 22 -2.372 3.921 2.829 1.00 0.00 C ATOM 315 CG LEU A 22 -1.155 4.465 2.028 1.00 0.00 C ATOM 316 CD1 LEU A 22 0.121 3.649 2.359 1.00 0.00 C ATOM 317 CD2 LEU A 22 -1.445 4.420 0.491 1.00 0.00 C ATOM 0 H LEU A 22 -2.387 6.296 3.420 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.955 4.768 1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.139 3.905 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.582 2.893 2.533 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.989 5.502 2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.963 4.043 1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 22 0.336 3.726 3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.037 2.603 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.582 4.804 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.637 3.391 0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.318 5.033 0.267 1.00 0.00 H new ATOM 329 N ARG A 23 -4.628 4.551 4.726 1.00 0.00 N ATOM 330 CA ARG A 23 -5.661 4.065 5.644 1.00 0.00 C ATOM 331 C ARG A 23 -7.008 4.728 5.352 1.00 0.00 C ATOM 332 O ARG A 23 -8.027 4.060 5.205 1.00 0.00 O ATOM 333 CB ARG A 23 -5.247 4.344 7.103 1.00 0.00 C ATOM 334 CG ARG A 23 -6.257 3.674 8.112 1.00 0.00 C ATOM 335 CD ARG A 23 -6.064 4.228 9.512 1.00 0.00 C ATOM 336 NE ARG A 23 -4.717 3.889 9.993 1.00 0.00 N ATOM 337 CZ ARG A 23 -4.256 4.310 11.176 1.00 0.00 C ATOM 338 NH1 ARG A 23 -5.011 5.035 11.960 1.00 0.00 N ATOM 339 NH2 ARG A 23 -3.045 3.995 11.551 1.00 0.00 N ATOM 0 H ARG A 23 -3.853 5.050 5.163 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.767 2.990 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.242 3.961 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.213 5.420 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.280 3.853 7.783 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.109 2.594 8.119 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.199 5.310 9.508 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.816 3.816 10.185 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.114 3.314 9.405 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.957 5.282 11.671 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.654 5.353 12.861 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.453 3.429 10.942 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.691 4.315 12.453 1.00 0.00 H new ATOM 353 N GLN A 24 -6.991 6.047 5.338 1.00 0.00 N ATOM 354 CA GLN A 24 -8.205 6.853 5.153 1.00 0.00 C ATOM 355 C GLN A 24 -8.873 6.570 3.839 1.00 0.00 C ATOM 356 O GLN A 24 -10.101 6.451 3.778 1.00 0.00 O ATOM 357 CB GLN A 24 -7.825 8.355 5.215 1.00 0.00 C ATOM 358 CG GLN A 24 -7.227 8.687 6.610 1.00 0.00 C ATOM 359 CD GLN A 24 -8.320 8.873 7.676 1.00 0.00 C ATOM 360 OE1 GLN A 24 -8.508 8.005 8.530 1.00 0.00 O ATOM 361 NE2 GLN A 24 -9.040 9.963 7.684 1.00 0.00 N ATOM 0 H GLN A 24 -6.141 6.599 5.454 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.906 6.594 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -7.102 8.590 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.705 8.971 5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.555 7.886 6.916 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.629 9.596 6.541 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.885 10.682 6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.757 10.095 8.397 1.00 0.00 H new ATOM 370 N ASP A 25 -8.074 6.392 2.789 1.00 0.00 N ATOM 371 CA ASP A 25 -8.602 6.032 1.494 1.00 0.00 C ATOM 372 C ASP A 25 -9.103 4.583 1.507 1.00 0.00 C ATOM 373 O ASP A 25 -10.204 4.285 1.054 1.00 0.00 O ATOM 374 CB ASP A 25 -7.467 6.186 0.450 1.00 0.00 C ATOM 375 CG ASP A 25 -7.969 5.896 -0.966 1.00 0.00 C ATOM 376 OD1 ASP A 25 -8.662 6.745 -1.503 1.00 0.00 O ATOM 377 OD2 ASP A 25 -7.661 4.837 -1.490 1.00 0.00 O ATOM 0 H ASP A 25 -7.060 6.493 2.819 1.00 0.00 H new ATOM 0 HA ASP A 25 -9.441 6.681 1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.064 7.198 0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -6.651 5.507 0.695 1.00 0.00 H new ATOM 382 N LEU A 26 -8.227 3.686 2.033 1.00 0.00 N ATOM 383 CA LEU A 26 -8.523 2.219 2.055 1.00 0.00 C ATOM 384 C LEU A 26 -9.713 1.890 2.922 1.00 0.00 C ATOM 385 O LEU A 26 -10.458 0.950 2.611 1.00 0.00 O ATOM 386 CB LEU A 26 -7.301 1.363 2.491 1.00 0.00 C ATOM 387 CG LEU A 26 -6.139 1.398 1.417 1.00 0.00 C ATOM 388 CD1 LEU A 26 -4.811 0.942 2.069 1.00 0.00 C ATOM 389 CD2 LEU A 26 -6.457 0.455 0.199 1.00 0.00 C ATOM 0 H LEU A 26 -7.327 3.940 2.441 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.762 1.960 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.924 1.730 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.618 0.332 2.648 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.051 2.422 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.014 0.967 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.561 1.611 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.922 -0.074 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.640 0.502 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.571 -0.570 0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.381 0.779 -0.280 1.00 0.00 H new ATOM 401 N LYS A 27 -9.922 2.658 3.987 1.00 0.00 N ATOM 402 CA LYS A 27 -11.080 2.416 4.838 1.00 0.00 C ATOM 403 C LYS A 27 -12.388 2.449 3.984 1.00 0.00 C ATOM 404 O LYS A 27 -13.259 1.591 4.132 1.00 0.00 O ATOM 405 CB LYS A 27 -11.083 3.504 5.907 1.00 0.00 C ATOM 406 CG LYS A 27 -12.238 3.301 6.923 1.00 0.00 C ATOM 407 CD LYS A 27 -12.123 4.324 8.089 1.00 0.00 C ATOM 408 CE LYS A 27 -12.192 5.800 7.595 1.00 0.00 C ATOM 409 NZ LYS A 27 -12.496 6.661 8.772 1.00 0.00 N ATOM 0 H LYS A 27 -9.323 3.432 4.275 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.031 1.433 5.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.129 3.500 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.182 4.481 5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.198 3.420 6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.209 2.285 7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.925 4.146 8.805 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.183 4.164 8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.246 6.095 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.962 5.912 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.548 7.655 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.407 6.376 9.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.745 6.554 9.484 1.00 0.00 H new ATOM 423 N GLY A 28 -12.491 3.452 3.096 1.00 0.00 N ATOM 424 CA GLY A 28 -13.668 3.613 2.223 1.00 0.00 C ATOM 425 C GLY A 28 -13.875 2.410 1.290 1.00 0.00 C ATOM 426 O GLY A 28 -15.004 2.102 0.905 1.00 0.00 O ATOM 0 H GLY A 28 -11.773 4.164 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.557 3.749 2.838 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -13.553 4.517 1.625 1.00 0.00 H new ATOM 430 N LYS A 29 -12.769 1.756 0.903 1.00 0.00 N ATOM 431 CA LYS A 29 -12.799 0.600 -0.020 1.00 0.00 C ATOM 432 C LYS A 29 -13.405 -0.644 0.649 1.00 0.00 C ATOM 433 O LYS A 29 -13.513 -1.709 0.033 1.00 0.00 O ATOM 434 CB LYS A 29 -11.352 0.308 -0.517 1.00 0.00 C ATOM 435 CG LYS A 29 -10.662 1.571 -1.126 1.00 0.00 C ATOM 436 CD LYS A 29 -11.361 2.024 -2.436 1.00 0.00 C ATOM 437 CE LYS A 29 -10.660 3.246 -3.057 1.00 0.00 C ATOM 438 NZ LYS A 29 -11.392 3.597 -4.302 1.00 0.00 N ATOM 0 H LYS A 29 -11.832 2.008 1.216 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.436 0.847 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.754 -0.063 0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.381 -0.483 -1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.684 2.384 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.614 1.352 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.363 1.202 -3.152 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.403 2.268 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.664 4.085 -2.361 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.617 3.019 -3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.942 4.422 -4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.366 2.791 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.380 3.824 -4.071 1.00 0.00 H new ATOM 452 N GLY A 30 -13.853 -0.471 1.884 1.00 0.00 N ATOM 453 CA GLY A 30 -14.516 -1.541 2.640 1.00 0.00 C ATOM 454 C GLY A 30 -13.523 -2.608 3.049 1.00 0.00 C ATOM 455 O GLY A 30 -13.919 -3.729 3.378 1.00 0.00 O ATOM 0 H GLY A 30 -13.771 0.408 2.395 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.993 -1.124 3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.305 -1.986 2.033 1.00 0.00 H new ATOM 459 N HIS A 31 -12.221 -2.270 3.042 1.00 0.00 N ATOM 460 CA HIS A 31 -11.165 -3.215 3.426 1.00 0.00 C ATOM 461 C HIS A 31 -11.244 -3.474 4.926 1.00 0.00 C ATOM 462 O HIS A 31 -11.908 -2.737 5.658 1.00 0.00 O ATOM 463 CB HIS A 31 -9.778 -2.660 3.000 1.00 0.00 C ATOM 464 CG HIS A 31 -9.644 -2.681 1.504 1.00 0.00 C ATOM 465 ND1 HIS A 31 -10.744 -2.700 0.673 1.00 0.00 N ATOM 466 CD2 HIS A 31 -8.549 -2.767 0.687 1.00 0.00 C ATOM 467 CE1 HIS A 31 -10.300 -2.801 -0.579 1.00 0.00 C ATOM 468 NE2 HIS A 31 -8.964 -2.843 -0.636 1.00 0.00 N ATOM 0 H HIS A 31 -11.878 -1.348 2.774 1.00 0.00 H new ATOM 0 HA HIS A 31 -11.304 -4.166 2.913 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.658 -1.641 3.368 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -8.986 -3.257 3.451 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.522 -2.775 1.020 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.943 -2.844 -1.446 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.379 -2.915 -1.468 1.00 0.00 H new ATOM 476 N THR A 32 -10.609 -4.570 5.363 1.00 0.00 N ATOM 477 CA THR A 32 -10.652 -4.985 6.776 1.00 0.00 C ATOM 478 C THR A 32 -9.522 -4.325 7.531 1.00 0.00 C ATOM 479 O THR A 32 -8.528 -3.941 6.945 1.00 0.00 O ATOM 480 CB THR A 32 -10.536 -6.520 6.847 1.00 0.00 C ATOM 481 OG1 THR A 32 -9.271 -6.897 6.341 1.00 0.00 O ATOM 482 CG2 THR A 32 -11.645 -7.188 5.995 1.00 0.00 C ATOM 0 H THR A 32 -10.060 -5.185 4.762 1.00 0.00 H new ATOM 0 HA THR A 32 -11.593 -4.679 7.232 1.00 0.00 H new ATOM 0 HB THR A 32 -10.649 -6.844 7.882 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.902 -7.621 6.889 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.548 -8.272 6.057 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.623 -6.889 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.545 -6.873 4.956 1.00 0.00 H new ATOM 490 N ASP A 33 -9.662 -4.225 8.852 1.00 0.00 N ATOM 491 CA ASP A 33 -8.633 -3.603 9.693 1.00 0.00 C ATOM 492 C ASP A 33 -7.303 -4.345 9.553 1.00 0.00 C ATOM 493 O ASP A 33 -6.259 -3.708 9.421 1.00 0.00 O ATOM 494 CB ASP A 33 -9.113 -3.614 11.160 1.00 0.00 C ATOM 495 CG ASP A 33 -10.415 -2.812 11.303 1.00 0.00 C ATOM 496 OD1 ASP A 33 -10.519 -1.770 10.676 1.00 0.00 O ATOM 497 OD2 ASP A 33 -11.287 -3.255 12.035 1.00 0.00 O ATOM 0 H ASP A 33 -10.475 -4.565 9.365 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.473 -2.574 9.372 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.273 -4.641 11.489 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.344 -3.189 11.804 1.00 0.00 H new ATOM 502 N ALA A 34 -7.360 -5.689 9.585 1.00 0.00 N ATOM 503 CA ALA A 34 -6.143 -6.511 9.466 1.00 0.00 C ATOM 504 C ALA A 34 -5.433 -6.211 8.135 1.00 0.00 C ATOM 505 O ALA A 34 -4.203 -6.096 8.097 1.00 0.00 O ATOM 506 CB ALA A 34 -6.520 -8.009 9.549 1.00 0.00 C ATOM 0 H ALA A 34 -8.223 -6.222 9.691 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.463 -6.270 10.283 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.619 -8.616 9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.001 -8.211 10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.206 -8.257 8.739 1.00 0.00 H new ATOM 512 N GLU A 35 -6.181 -6.164 7.019 1.00 0.00 N ATOM 513 CA GLU A 35 -5.574 -5.933 5.704 1.00 0.00 C ATOM 514 C GLU A 35 -5.066 -4.499 5.587 1.00 0.00 C ATOM 515 O GLU A 35 -3.973 -4.260 5.077 1.00 0.00 O ATOM 516 CB GLU A 35 -6.655 -6.208 4.614 1.00 0.00 C ATOM 517 CG GLU A 35 -7.008 -7.726 4.523 1.00 0.00 C ATOM 518 CD GLU A 35 -5.824 -8.538 3.969 1.00 0.00 C ATOM 519 OE1 GLU A 35 -5.348 -8.189 2.901 1.00 0.00 O ATOM 520 OE2 GLU A 35 -5.407 -9.483 4.622 1.00 0.00 O ATOM 0 H GLU A 35 -7.194 -6.282 7.004 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.722 -6.600 5.571 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.555 -5.638 4.842 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.294 -5.860 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.279 -8.099 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.878 -7.862 3.881 1.00 0.00 H new ATOM 527 N ILE A 36 -5.888 -3.552 6.050 1.00 0.00 N ATOM 528 CA ILE A 36 -5.534 -2.129 5.953 1.00 0.00 C ATOM 529 C ILE A 36 -4.232 -1.826 6.721 1.00 0.00 C ATOM 530 O ILE A 36 -3.329 -1.157 6.190 1.00 0.00 O ATOM 531 CB ILE A 36 -6.705 -1.264 6.556 1.00 0.00 C ATOM 532 CG1 ILE A 36 -7.982 -1.381 5.648 1.00 0.00 C ATOM 533 CG2 ILE A 36 -6.291 0.247 6.689 1.00 0.00 C ATOM 534 CD1 ILE A 36 -9.242 -0.876 6.373 1.00 0.00 C ATOM 0 H ILE A 36 -6.790 -3.738 6.489 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.379 -1.882 4.903 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.925 -1.648 7.552 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.833 -0.806 4.734 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.124 -2.420 5.352 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.121 0.816 7.108 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.425 0.331 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.039 0.643 5.705 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.105 -0.973 5.714 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.406 -1.468 7.273 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.110 0.171 6.646 1.00 0.00 H new ATOM 546 N GLU A 37 -4.173 -2.272 7.993 1.00 0.00 N ATOM 547 CA GLU A 37 -3.032 -1.991 8.854 1.00 0.00 C ATOM 548 C GLU A 37 -1.753 -2.609 8.306 1.00 0.00 C ATOM 549 O GLU A 37 -0.688 -2.008 8.325 1.00 0.00 O ATOM 550 CB GLU A 37 -3.292 -2.486 10.306 1.00 0.00 C ATOM 551 CG GLU A 37 -3.318 -4.040 10.423 1.00 0.00 C ATOM 552 CD GLU A 37 -3.848 -4.495 11.793 1.00 0.00 C ATOM 553 OE1 GLU A 37 -5.034 -4.326 12.025 1.00 0.00 O ATOM 554 OE2 GLU A 37 -3.070 -5.017 12.577 1.00 0.00 O ATOM 0 H GLU A 37 -4.906 -2.826 8.435 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.902 -0.909 8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.518 -2.090 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.243 -2.085 10.656 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.945 -4.455 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.313 -4.434 10.272 1.00 0.00 H new ATOM 561 N ALA A 38 -1.891 -3.844 7.834 1.00 0.00 N ATOM 562 CA ALA A 38 -0.769 -4.601 7.295 1.00 0.00 C ATOM 563 C ALA A 38 -0.209 -3.944 6.029 1.00 0.00 C ATOM 564 O ALA A 38 0.994 -3.944 5.813 1.00 0.00 O ATOM 565 CB ALA A 38 -1.258 -6.031 6.962 1.00 0.00 C ATOM 0 H ALA A 38 -2.779 -4.345 7.815 1.00 0.00 H new ATOM 0 HA ALA A 38 0.028 -4.628 8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.431 -6.613 6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.628 -6.509 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.060 -5.979 6.226 1.00 0.00 H new ATOM 571 N ILE A 39 -1.112 -3.502 5.144 1.00 0.00 N ATOM 572 CA ILE A 39 -0.681 -2.982 3.804 1.00 0.00 C ATOM 573 C ILE A 39 0.212 -1.763 3.939 1.00 0.00 C ATOM 574 O ILE A 39 1.262 -1.674 3.285 1.00 0.00 O ATOM 575 CB ILE A 39 -2.006 -2.569 2.943 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.306 -3.607 1.778 1.00 0.00 C ATOM 577 CG2 ILE A 39 -1.980 -1.095 2.326 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.770 -4.965 2.340 1.00 0.00 C ATOM 0 H ILE A 39 -2.119 -3.486 5.307 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.117 -3.767 3.301 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.805 -2.589 3.684 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.074 -3.203 1.118 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.409 -3.748 1.175 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.902 -0.916 1.773 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.892 -0.365 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.128 -0.997 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.967 -5.652 1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.991 -5.379 2.980 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.681 -4.826 2.922 1.00 0.00 H new ATOM 590 N PHE A 40 -0.207 -0.823 4.778 1.00 0.00 N ATOM 591 CA PHE A 40 0.556 0.406 4.974 1.00 0.00 C ATOM 592 C PHE A 40 1.880 0.104 5.651 1.00 0.00 C ATOM 593 O PHE A 40 2.906 0.713 5.371 1.00 0.00 O ATOM 594 CB PHE A 40 -0.301 1.486 5.733 1.00 0.00 C ATOM 595 CG PHE A 40 -0.025 1.446 7.253 1.00 0.00 C ATOM 596 CD1 PHE A 40 1.109 2.085 7.776 1.00 0.00 C ATOM 597 CD2 PHE A 40 -0.836 0.706 8.100 1.00 0.00 C ATOM 598 CE1 PHE A 40 1.411 1.988 9.133 1.00 0.00 C ATOM 599 CE2 PHE A 40 -0.529 0.586 9.467 1.00 0.00 C ATOM 600 CZ PHE A 40 0.598 1.233 9.983 1.00 0.00 C ATOM 0 H PHE A 40 -1.063 -0.886 5.329 1.00 0.00 H new ATOM 0 HA PHE A 40 0.794 0.840 4.003 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.070 2.478 5.344 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.361 1.310 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.752 2.656 7.123 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.714 0.216 7.705 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.276 2.498 9.529 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.161 -0.003 10.115 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.839 1.150 11.032 1.00 0.00 H new ATOM 610 N THR A 41 1.791 -0.818 6.616 1.00 0.00 N ATOM 611 CA THR A 41 2.919 -1.196 7.448 1.00 0.00 C ATOM 612 C THR A 41 4.061 -1.750 6.624 1.00 0.00 C ATOM 613 O THR A 41 5.223 -1.420 6.862 1.00 0.00 O ATOM 614 CB THR A 41 2.423 -2.220 8.494 1.00 0.00 C ATOM 615 OG1 THR A 41 1.489 -1.579 9.347 1.00 0.00 O ATOM 616 CG2 THR A 41 3.564 -2.760 9.361 1.00 0.00 C ATOM 0 H THR A 41 0.930 -1.319 6.836 1.00 0.00 H new ATOM 0 HA THR A 41 3.313 -0.314 7.954 1.00 0.00 H new ATOM 0 HB THR A 41 1.976 -3.056 7.956 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.771 -1.186 8.809 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.167 -3.476 10.081 1.00 0.00 H new ATOM 0 HG22 THR A 41 4.300 -3.254 8.727 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.038 -1.935 9.893 1.00 0.00 H new ATOM 624 N LYS A 42 3.732 -2.610 5.677 1.00 0.00 N ATOM 625 CA LYS A 42 4.763 -3.210 4.838 1.00 0.00 C ATOM 626 C LYS A 42 5.397 -2.146 3.937 1.00 0.00 C ATOM 627 O LYS A 42 6.628 -2.081 3.830 1.00 0.00 O ATOM 628 CB LYS A 42 4.070 -4.303 3.985 1.00 0.00 C ATOM 629 CG LYS A 42 3.666 -5.514 4.877 1.00 0.00 C ATOM 630 CD LYS A 42 2.920 -6.588 4.037 1.00 0.00 C ATOM 631 CE LYS A 42 2.504 -7.773 4.935 1.00 0.00 C ATOM 632 NZ LYS A 42 3.726 -8.340 5.572 1.00 0.00 N ATOM 0 H LYS A 42 2.779 -2.907 5.469 1.00 0.00 H new ATOM 0 HA LYS A 42 5.559 -3.641 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.186 -3.889 3.501 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.741 -4.635 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.556 -5.952 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 42 3.028 -5.175 5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.038 -6.148 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.563 -6.941 3.231 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.800 -7.440 5.698 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.997 -8.536 4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.537 -9.316 5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 4.508 -8.338 4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.988 -7.762 6.396 1.00 0.00 H new ATOM 646 N TYR A 43 4.563 -1.346 3.248 1.00 0.00 N ATOM 647 CA TYR A 43 5.107 -0.344 2.317 1.00 0.00 C ATOM 648 C TYR A 43 5.748 0.813 3.061 1.00 0.00 C ATOM 649 O TYR A 43 6.739 1.369 2.592 1.00 0.00 O ATOM 650 CB TYR A 43 3.970 0.155 1.383 1.00 0.00 C ATOM 651 CG TYR A 43 3.220 -1.044 0.713 1.00 0.00 C ATOM 652 CD1 TYR A 43 3.928 -2.161 0.183 1.00 0.00 C ATOM 653 CD2 TYR A 43 1.802 -1.051 0.621 1.00 0.00 C ATOM 654 CE1 TYR A 43 3.240 -3.229 -0.406 1.00 0.00 C ATOM 655 CE2 TYR A 43 1.135 -2.138 0.028 1.00 0.00 C ATOM 656 CZ TYR A 43 1.851 -3.215 -0.479 1.00 0.00 C ATOM 657 OH TYR A 43 1.179 -4.274 -1.054 1.00 0.00 O ATOM 0 H TYR A 43 3.545 -1.371 3.314 1.00 0.00 H new ATOM 0 HA TYR A 43 5.889 -0.808 1.716 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.263 0.755 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.387 0.803 0.612 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.006 -2.184 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.234 -0.218 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.791 -4.068 -0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.057 -2.135 -0.034 1.00 0.00 H new ATOM 0 HH TYR A 43 0.214 -4.105 -1.023 1.00 0.00 H new ATOM 667 N ASP A 44 5.217 1.145 4.237 1.00 0.00 N ATOM 668 CA ASP A 44 5.762 2.232 5.083 1.00 0.00 C ATOM 669 C ASP A 44 6.476 1.559 6.265 1.00 0.00 C ATOM 670 O ASP A 44 5.819 0.952 7.108 1.00 0.00 O ATOM 671 CB ASP A 44 4.595 3.136 5.567 1.00 0.00 C ATOM 672 CG ASP A 44 3.571 3.357 4.447 1.00 0.00 C ATOM 673 OD1 ASP A 44 3.992 3.539 3.316 1.00 0.00 O ATOM 674 OD2 ASP A 44 2.387 3.334 4.737 1.00 0.00 O ATOM 0 H ASP A 44 4.403 0.679 4.637 1.00 0.00 H new ATOM 0 HA ASP A 44 6.463 2.864 4.537 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.106 2.676 6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.988 4.097 5.900 1.00 0.00 H new ATOM 679 N GLN A 45 7.815 1.602 6.281 1.00 0.00 N ATOM 680 CA GLN A 45 8.586 0.910 7.324 1.00 0.00 C ATOM 681 C GLN A 45 8.264 1.433 8.731 1.00 0.00 C ATOM 682 O GLN A 45 7.937 0.631 9.613 1.00 0.00 O ATOM 683 CB GLN A 45 10.106 1.136 7.009 1.00 0.00 C ATOM 684 CG GLN A 45 10.601 0.245 5.827 1.00 0.00 C ATOM 685 CD GLN A 45 9.763 0.472 4.566 1.00 0.00 C ATOM 686 OE1 GLN A 45 8.602 -0.121 4.460 1.00 0.00 O flip ATOM 687 NE2 GLN A 45 10.167 1.208 3.668 1.00 0.00 N flip ATOM 0 H GLN A 45 8.381 2.101 5.594 1.00 0.00 H new ATOM 0 HA GLN A 45 8.326 -0.148 7.317 1.00 0.00 H new ATOM 0 HB2 GLN A 45 10.273 2.185 6.766 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.696 0.917 7.899 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.647 0.467 5.615 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.550 -0.805 6.115 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.073 1.668 3.755 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.596 1.358 2.836 1.00 0.00 H new ATOM 696 N ASP A 46 8.320 2.766 8.960 1.00 0.00 N ATOM 697 CA ASP A 46 7.995 3.360 10.273 1.00 0.00 C ATOM 698 C ASP A 46 6.632 4.066 10.226 1.00 0.00 C ATOM 699 O ASP A 46 6.185 4.612 11.238 1.00 0.00 O ATOM 700 CB ASP A 46 9.127 4.359 10.620 1.00 0.00 C ATOM 701 CG ASP A 46 10.484 3.634 10.607 1.00 0.00 C ATOM 702 OD1 ASP A 46 10.542 2.518 11.100 1.00 0.00 O ATOM 703 OD2 ASP A 46 11.441 4.199 10.093 1.00 0.00 O ATOM 0 H ASP A 46 8.588 3.448 8.251 1.00 0.00 H new ATOM 0 HA ASP A 46 7.925 2.587 11.038 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.135 5.178 9.901 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.949 4.798 11.601 1.00 0.00 H new ATOM 708 N GLY A 47 5.979 4.089 9.047 1.00 0.00 N ATOM 709 CA GLY A 47 4.673 4.775 8.912 1.00 0.00 C ATOM 710 C GLY A 47 4.738 6.222 9.409 1.00 0.00 C ATOM 711 O GLY A 47 3.732 6.766 9.849 1.00 0.00 O ATOM 0 H GLY A 47 6.322 3.652 8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.362 4.763 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.916 4.230 9.476 1.00 0.00 H new ATOM 715 N ASP A 48 5.948 6.821 9.376 1.00 0.00 N ATOM 716 CA ASP A 48 6.191 8.212 9.857 1.00 0.00 C ATOM 717 C ASP A 48 6.675 9.137 8.725 1.00 0.00 C ATOM 718 O ASP A 48 6.732 10.358 8.899 1.00 0.00 O ATOM 719 CB ASP A 48 7.263 8.152 10.974 1.00 0.00 C ATOM 720 CG ASP A 48 6.798 7.237 12.115 1.00 0.00 C ATOM 721 OD1 ASP A 48 5.602 7.182 12.365 1.00 0.00 O ATOM 722 OD2 ASP A 48 7.646 6.609 12.728 1.00 0.00 O ATOM 0 H ASP A 48 6.785 6.362 9.018 1.00 0.00 H new ATOM 0 HA ASP A 48 5.254 8.624 10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 48 8.204 7.783 10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.453 9.154 11.358 1.00 0.00 H new ATOM 727 N GLN A 49 7.053 8.535 7.585 1.00 0.00 N ATOM 728 CA GLN A 49 7.580 9.263 6.408 1.00 0.00 C ATOM 729 C GLN A 49 6.779 8.911 5.162 1.00 0.00 C ATOM 730 O GLN A 49 6.064 7.907 5.121 1.00 0.00 O ATOM 731 CB GLN A 49 9.096 8.912 6.185 1.00 0.00 C ATOM 732 CG GLN A 49 9.342 7.371 6.038 1.00 0.00 C ATOM 733 CD GLN A 49 9.099 6.639 7.364 1.00 0.00 C ATOM 734 OE1 GLN A 49 9.707 6.995 8.370 1.00 0.00 O ATOM 735 NE2 GLN A 49 8.253 5.635 7.425 1.00 0.00 N ATOM 0 H GLN A 49 7.003 7.525 7.449 1.00 0.00 H new ATOM 0 HA GLN A 49 7.487 10.333 6.595 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.455 9.421 5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.680 9.291 7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.682 6.967 5.271 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.364 7.194 5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.749 5.341 6.588 1.00 0.00 H new ATOM 0 HE22 GLN A 49 8.100 5.150 8.309 1.00 0.00 H new ATOM 744 N GLU A 50 6.944 9.757 4.140 1.00 0.00 N ATOM 745 CA GLU A 50 6.310 9.615 2.850 1.00 0.00 C ATOM 746 C GLU A 50 7.030 8.523 2.081 1.00 0.00 C ATOM 747 O GLU A 50 8.228 8.306 2.291 1.00 0.00 O ATOM 748 CB GLU A 50 6.361 10.947 2.059 1.00 0.00 C ATOM 749 CG GLU A 50 5.598 12.057 2.829 1.00 0.00 C ATOM 750 CD GLU A 50 5.615 13.369 2.032 1.00 0.00 C ATOM 751 OE1 GLU A 50 6.654 13.683 1.472 1.00 0.00 O ATOM 752 OE2 GLU A 50 4.589 14.030 1.986 1.00 0.00 O ATOM 0 H GLU A 50 7.543 10.580 4.202 1.00 0.00 H new ATOM 0 HA GLU A 50 5.261 9.351 2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.397 11.248 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 50 5.919 10.809 1.072 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.569 11.744 3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.056 12.211 3.806 1.00 0.00 H new ATOM 759 N LEU A 51 6.288 7.810 1.232 1.00 0.00 N ATOM 760 CA LEU A 51 6.851 6.691 0.469 1.00 0.00 C ATOM 761 C LEU A 51 7.378 7.202 -0.880 1.00 0.00 C ATOM 762 O LEU A 51 6.653 7.819 -1.655 1.00 0.00 O ATOM 763 CB LEU A 51 5.721 5.648 0.190 1.00 0.00 C ATOM 764 CG LEU A 51 6.281 4.320 -0.460 1.00 0.00 C ATOM 765 CD1 LEU A 51 7.183 3.518 0.544 1.00 0.00 C ATOM 766 CD2 LEU A 51 5.097 3.435 -0.950 1.00 0.00 C ATOM 0 H LEU A 51 5.299 7.985 1.055 1.00 0.00 H new ATOM 0 HA LEU A 51 7.662 6.236 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.213 5.407 1.124 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.977 6.089 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 51 6.905 4.596 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.549 2.612 0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.029 4.135 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.598 3.249 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.487 2.521 -1.397 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.458 3.181 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.516 3.983 -1.692 1.00 0.00 H new ATOM 778 N THR A 52 8.681 6.997 -1.093 1.00 0.00 N ATOM 779 CA THR A 52 9.374 7.458 -2.275 1.00 0.00 C ATOM 780 C THR A 52 9.102 6.529 -3.396 1.00 0.00 C ATOM 781 O THR A 52 8.343 5.585 -3.267 1.00 0.00 O ATOM 782 CB THR A 52 10.889 7.596 -1.963 1.00 0.00 C ATOM 783 OG1 THR A 52 11.593 7.975 -3.135 1.00 0.00 O ATOM 784 CG2 THR A 52 11.480 6.277 -1.410 1.00 0.00 C ATOM 0 H THR A 52 9.281 6.499 -0.435 1.00 0.00 H new ATOM 0 HA THR A 52 9.015 8.442 -2.575 1.00 0.00 H new ATOM 0 HB THR A 52 11.000 8.365 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.283 8.856 -3.432 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.542 6.412 -1.204 1.00 0.00 H new ATOM 0 HG22 THR A 52 10.963 6.004 -0.490 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.352 5.484 -2.147 1.00 0.00 H new ATOM 792 N GLU A 53 9.700 6.873 -4.508 1.00 0.00 N ATOM 793 CA GLU A 53 9.518 6.162 -5.733 1.00 0.00 C ATOM 794 C GLU A 53 10.262 4.831 -5.686 1.00 0.00 C ATOM 795 O GLU A 53 9.692 3.795 -5.962 1.00 0.00 O ATOM 796 CB GLU A 53 9.997 7.027 -6.927 1.00 0.00 C ATOM 797 CG GLU A 53 9.277 8.402 -6.935 1.00 0.00 C ATOM 798 CD GLU A 53 9.698 9.208 -8.175 1.00 0.00 C ATOM 799 OE1 GLU A 53 10.876 9.182 -8.502 1.00 0.00 O ATOM 800 OE2 GLU A 53 8.837 9.812 -8.796 1.00 0.00 O ATOM 0 H GLU A 53 10.335 7.668 -4.582 1.00 0.00 H new ATOM 0 HA GLU A 53 8.457 5.951 -5.869 1.00 0.00 H new ATOM 0 HB2 GLU A 53 11.075 7.176 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.801 6.503 -7.863 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.197 8.256 -6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.524 8.956 -6.030 1.00 0.00 H new ATOM 807 N HIS A 54 11.565 4.877 -5.383 1.00 0.00 N ATOM 808 CA HIS A 54 12.388 3.642 -5.432 1.00 0.00 C ATOM 809 C HIS A 54 11.734 2.556 -4.587 1.00 0.00 C ATOM 810 O HIS A 54 11.534 1.434 -5.069 1.00 0.00 O ATOM 811 CB HIS A 54 13.810 3.945 -4.907 1.00 0.00 C ATOM 812 CG HIS A 54 14.435 5.019 -5.753 1.00 0.00 C ATOM 813 ND1 HIS A 54 14.919 4.765 -7.024 1.00 0.00 N ATOM 814 CD2 HIS A 54 14.649 6.355 -5.529 1.00 0.00 C ATOM 815 CE1 HIS A 54 15.396 5.920 -7.515 1.00 0.00 C ATOM 816 NE2 HIS A 54 15.256 6.923 -6.643 1.00 0.00 N ATOM 0 H HIS A 54 12.068 5.721 -5.109 1.00 0.00 H new ATOM 0 HA HIS A 54 12.459 3.292 -6.462 1.00 0.00 H new ATOM 0 HB2 HIS A 54 13.765 4.266 -3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 54 14.420 3.042 -4.936 1.00 0.00 H new ATOM 0 HD2 HIS A 54 14.386 6.885 -4.625 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.839 6.026 -8.494 1.00 0.00 H new ATOM 0 HE2 HIS A 54 15.535 7.896 -6.768 1.00 0.00 H new ATOM 824 N GLU A 55 11.370 2.878 -3.345 1.00 0.00 N ATOM 825 CA GLU A 55 10.707 1.909 -2.478 1.00 0.00 C ATOM 826 C GLU A 55 9.360 1.492 -3.096 1.00 0.00 C ATOM 827 O GLU A 55 9.026 0.312 -3.114 1.00 0.00 O ATOM 828 CB GLU A 55 10.476 2.556 -1.087 1.00 0.00 C ATOM 829 CG GLU A 55 9.989 1.510 -0.033 1.00 0.00 C ATOM 830 CD GLU A 55 11.077 0.471 0.276 1.00 0.00 C ATOM 831 OE1 GLU A 55 12.245 0.818 0.199 1.00 0.00 O ATOM 832 OE2 GLU A 55 10.721 -0.652 0.595 1.00 0.00 O ATOM 0 H GLU A 55 11.522 3.794 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 55 11.331 1.022 -2.370 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.402 3.015 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.738 3.353 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.704 2.023 0.885 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.098 1.005 -0.406 1.00 0.00 H new ATOM 839 N HIS A 56 8.599 2.493 -3.601 1.00 0.00 N ATOM 840 CA HIS A 56 7.284 2.237 -4.217 1.00 0.00 C ATOM 841 C HIS A 56 7.438 1.282 -5.411 1.00 0.00 C ATOM 842 O HIS A 56 6.707 0.310 -5.521 1.00 0.00 O ATOM 843 CB HIS A 56 6.604 3.556 -4.679 1.00 0.00 C ATOM 844 CG HIS A 56 5.235 3.273 -5.237 1.00 0.00 C ATOM 845 ND1 HIS A 56 4.893 3.548 -6.547 1.00 0.00 N ATOM 846 CD2 HIS A 56 4.134 2.702 -4.665 1.00 0.00 C ATOM 847 CE1 HIS A 56 3.629 3.138 -6.720 1.00 0.00 C ATOM 848 NE2 HIS A 56 3.121 2.615 -5.600 1.00 0.00 N ATOM 0 H HIS A 56 8.874 3.475 -3.592 1.00 0.00 H new ATOM 0 HA HIS A 56 6.647 1.776 -3.462 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.526 4.246 -3.839 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.218 4.044 -5.436 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.066 2.370 -3.640 1.00 0.00 H new ATOM 0 HE1 HIS A 56 3.087 3.220 -7.651 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.185 2.233 -5.465 1.00 0.00 H new ATOM 856 N GLN A 57 8.386 1.563 -6.323 1.00 0.00 N ATOM 857 CA GLN A 57 8.583 0.680 -7.495 1.00 0.00 C ATOM 858 C GLN A 57 8.894 -0.769 -7.061 1.00 0.00 C ATOM 859 O GLN A 57 8.512 -1.712 -7.760 1.00 0.00 O ATOM 860 CB GLN A 57 9.737 1.218 -8.412 1.00 0.00 C ATOM 861 CG GLN A 57 9.275 2.414 -9.325 1.00 0.00 C ATOM 862 CD GLN A 57 9.229 3.713 -8.545 1.00 0.00 C ATOM 863 OE1 GLN A 57 10.231 4.415 -8.516 1.00 0.00 O ATOM 864 NE2 GLN A 57 8.152 4.030 -7.850 1.00 0.00 N ATOM 0 H GLN A 57 9.012 2.367 -6.279 1.00 0.00 H new ATOM 0 HA GLN A 57 7.651 0.679 -8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.570 1.542 -7.789 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.105 0.407 -9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.959 2.517 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.289 2.200 -9.738 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.327 3.432 -7.887 1.00 0.00 H new ATOM 0 HE22 GLN A 57 8.145 4.873 -7.276 1.00 0.00 H new ATOM 873 N GLN A 58 9.617 -0.947 -5.938 1.00 0.00 N ATOM 874 CA GLN A 58 9.982 -2.305 -5.488 1.00 0.00 C ATOM 875 C GLN A 58 8.731 -3.111 -5.111 1.00 0.00 C ATOM 876 O GLN A 58 8.498 -4.203 -5.644 1.00 0.00 O ATOM 877 CB GLN A 58 10.933 -2.184 -4.272 1.00 0.00 C ATOM 878 CG GLN A 58 11.526 -3.567 -3.883 1.00 0.00 C ATOM 879 CD GLN A 58 12.488 -3.428 -2.703 1.00 0.00 C ATOM 880 OE1 GLN A 58 12.189 -2.733 -1.732 1.00 0.00 O ATOM 881 NE2 GLN A 58 13.631 -4.052 -2.739 1.00 0.00 N ATOM 0 H GLN A 58 9.952 -0.191 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 58 10.483 -2.833 -6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 58 11.741 -1.492 -4.507 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.391 -1.766 -3.424 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.721 -4.254 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.049 -3.997 -4.737 1.00 0.00 H new ATOM 0 HE21 GLN A 58 13.873 -4.626 -3.546 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.284 -3.966 -1.960 1.00 0.00 H new ATOM 890 N MET A 59 7.916 -2.569 -4.184 1.00 0.00 N ATOM 891 CA MET A 59 6.695 -3.229 -3.756 1.00 0.00 C ATOM 892 C MET A 59 5.771 -3.443 -4.953 1.00 0.00 C ATOM 893 O MET A 59 4.990 -4.391 -4.966 1.00 0.00 O ATOM 894 CB MET A 59 5.971 -2.413 -2.660 1.00 0.00 C ATOM 895 CG MET A 59 5.775 -0.948 -3.111 1.00 0.00 C ATOM 896 SD MET A 59 4.610 -0.088 -2.028 1.00 0.00 S ATOM 897 CE MET A 59 3.072 -0.510 -2.902 1.00 0.00 C ATOM 0 H MET A 59 8.093 -1.675 -3.725 1.00 0.00 H new ATOM 0 HA MET A 59 6.962 -4.197 -3.331 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.003 -2.865 -2.443 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.550 -2.440 -1.737 1.00 0.00 H new ATOM 0 HG2 MET A 59 6.734 -0.430 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.408 -0.925 -4.137 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.224 -0.065 -2.382 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.115 -0.125 -3.921 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.954 -1.593 -2.928 1.00 0.00 H new ATOM 907 N ARG A 60 5.773 -2.478 -5.914 1.00 0.00 N ATOM 908 CA ARG A 60 4.862 -2.564 -7.031 1.00 0.00 C ATOM 909 C ARG A 60 5.096 -3.865 -7.786 1.00 0.00 C ATOM 910 O ARG A 60 4.151 -4.610 -8.056 1.00 0.00 O ATOM 911 CB ARG A 60 5.121 -1.340 -7.937 1.00 0.00 C ATOM 912 CG ARG A 60 4.040 -1.240 -9.034 1.00 0.00 C ATOM 913 CD ARG A 60 4.312 -0.039 -9.952 1.00 0.00 C ATOM 914 NE ARG A 60 5.567 -0.243 -10.693 1.00 0.00 N ATOM 915 CZ ARG A 60 6.064 0.679 -11.539 1.00 0.00 C ATOM 916 NH1 ARG A 60 5.436 1.813 -11.730 1.00 0.00 N ATOM 917 NH2 ARG A 60 7.180 0.445 -12.174 1.00 0.00 N ATOM 0 H ARG A 60 6.387 -1.663 -5.918 1.00 0.00 H new ATOM 0 HA ARG A 60 3.825 -2.561 -6.695 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.123 -0.430 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.106 -1.422 -8.396 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.024 -2.158 -9.622 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.057 -1.139 -8.575 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.485 0.089 -10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.374 0.874 -9.360 1.00 0.00 H new ATOM 0 HE ARG A 60 6.079 -1.115 -10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.564 2.003 -11.236 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.819 2.506 -12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 60 7.674 -0.435 -12.029 1.00 0.00 H new ATOM 0 HH22 ARG A 60 7.558 1.142 -12.815 1.00 0.00 H new ATOM 931 N ASP A 61 6.367 -4.159 -8.101 1.00 0.00 N ATOM 932 CA ASP A 61 6.714 -5.383 -8.811 1.00 0.00 C ATOM 933 C ASP A 61 6.283 -6.595 -7.974 1.00 0.00 C ATOM 934 O ASP A 61 5.819 -7.594 -8.518 1.00 0.00 O ATOM 935 CB ASP A 61 8.258 -5.412 -9.002 1.00 0.00 C ATOM 936 CG ASP A 61 8.721 -4.262 -9.913 1.00 0.00 C ATOM 937 OD1 ASP A 61 8.066 -4.026 -10.913 1.00 0.00 O ATOM 938 OD2 ASP A 61 9.727 -3.643 -9.597 1.00 0.00 O ATOM 0 H ASP A 61 7.163 -3.563 -7.873 1.00 0.00 H new ATOM 0 HA ASP A 61 6.211 -5.417 -9.778 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.750 -5.334 -8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.557 -6.367 -9.435 1.00 0.00 H new ATOM 943 N ASP A 62 6.396 -6.471 -6.638 1.00 0.00 N ATOM 944 CA ASP A 62 6.001 -7.552 -5.728 1.00 0.00 C ATOM 945 C ASP A 62 4.490 -7.686 -5.750 1.00 0.00 C ATOM 946 O ASP A 62 3.953 -8.781 -5.667 1.00 0.00 O ATOM 947 CB ASP A 62 6.505 -7.267 -4.289 1.00 0.00 C ATOM 948 CG ASP A 62 8.021 -7.042 -4.294 1.00 0.00 C ATOM 949 OD1 ASP A 62 8.699 -7.726 -5.046 1.00 0.00 O ATOM 950 OD2 ASP A 62 8.485 -6.200 -3.541 1.00 0.00 O ATOM 0 H ASP A 62 6.755 -5.638 -6.172 1.00 0.00 H new ATOM 0 HA ASP A 62 6.453 -8.488 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.001 -6.388 -3.887 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.256 -8.104 -3.636 1.00 0.00 H new ATOM 955 N LEU A 63 3.806 -6.540 -5.857 1.00 0.00 N ATOM 956 CA LEU A 63 2.338 -6.516 -5.871 1.00 0.00 C ATOM 957 C LEU A 63 1.807 -7.321 -7.060 1.00 0.00 C ATOM 958 O LEU A 63 0.933 -8.181 -6.899 1.00 0.00 O ATOM 959 CB LEU A 63 1.813 -5.040 -5.934 1.00 0.00 C ATOM 960 CG LEU A 63 0.310 -4.941 -5.440 1.00 0.00 C ATOM 961 CD1 LEU A 63 0.246 -4.865 -3.885 1.00 0.00 C ATOM 962 CD2 LEU A 63 -0.402 -3.699 -6.059 1.00 0.00 C ATOM 0 H LEU A 63 4.243 -5.622 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 63 1.975 -6.972 -4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.444 -4.401 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.887 -4.669 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.208 -5.841 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.794 -4.798 -3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.699 -5.760 -3.458 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.789 -3.984 -3.541 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.431 -3.655 -5.704 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.124 -2.792 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.397 -3.781 -7.146 1.00 0.00 H new ATOM 974 N GLU A 64 2.354 -7.056 -8.258 1.00 0.00 N ATOM 975 CA GLU A 64 1.938 -7.791 -9.463 1.00 0.00 C ATOM 976 C GLU A 64 2.160 -9.308 -9.255 1.00 0.00 C ATOM 977 O GLU A 64 1.311 -10.118 -9.591 1.00 0.00 O ATOM 978 CB GLU A 64 2.765 -7.280 -10.667 1.00 0.00 C ATOM 979 CG GLU A 64 2.465 -5.774 -10.932 1.00 0.00 C ATOM 980 CD GLU A 64 3.294 -5.228 -12.108 1.00 0.00 C ATOM 981 OE1 GLU A 64 3.940 -6.012 -12.790 1.00 0.00 O ATOM 982 OE2 GLU A 64 3.271 -4.024 -12.303 1.00 0.00 O ATOM 0 H GLU A 64 3.073 -6.350 -8.417 1.00 0.00 H new ATOM 0 HA GLU A 64 0.878 -7.625 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.828 -7.416 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.527 -7.866 -11.555 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.404 -5.646 -11.144 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.682 -5.196 -10.034 1.00 0.00 H new ATOM 989 N LYS A 65 3.319 -9.672 -8.694 1.00 0.00 N ATOM 990 CA LYS A 65 3.658 -11.091 -8.429 1.00 0.00 C ATOM 991 C LYS A 65 2.638 -11.731 -7.464 1.00 0.00 C ATOM 992 O LYS A 65 2.184 -12.868 -7.678 1.00 0.00 O ATOM 993 CB LYS A 65 5.098 -11.170 -7.828 1.00 0.00 C ATOM 994 CG LYS A 65 6.172 -10.849 -8.907 1.00 0.00 C ATOM 995 CD LYS A 65 7.601 -10.874 -8.283 1.00 0.00 C ATOM 996 CE LYS A 65 8.657 -10.544 -9.360 1.00 0.00 C ATOM 997 NZ LYS A 65 8.552 -11.553 -10.445 1.00 0.00 N ATOM 0 H LYS A 65 4.043 -9.011 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 65 3.622 -11.646 -9.367 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.189 -10.468 -6.999 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.272 -12.166 -7.422 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.110 -11.576 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.976 -9.869 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.663 -10.152 -7.469 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.802 -11.856 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.493 -9.542 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.657 -10.556 -8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.436 -11.567 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.387 -12.492 -10.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.760 -11.307 -11.072 1.00 0.00 H new ATOM 1011 N GLU A 66 2.269 -10.993 -6.405 1.00 0.00 N ATOM 1012 CA GLU A 66 1.299 -11.488 -5.410 1.00 0.00 C ATOM 1013 C GLU A 66 -0.034 -11.832 -6.102 1.00 0.00 C ATOM 1014 O GLU A 66 -0.720 -12.778 -5.709 1.00 0.00 O ATOM 1015 CB GLU A 66 1.099 -10.425 -4.280 1.00 0.00 C ATOM 1016 CG GLU A 66 2.324 -10.391 -3.313 1.00 0.00 C ATOM 1017 CD GLU A 66 2.162 -9.273 -2.272 1.00 0.00 C ATOM 1018 OE1 GLU A 66 1.753 -8.191 -2.659 1.00 0.00 O ATOM 1019 OE2 GLU A 66 2.449 -9.517 -1.109 1.00 0.00 O ATOM 0 H GLU A 66 2.624 -10.056 -6.214 1.00 0.00 H new ATOM 0 HA GLU A 66 1.684 -12.398 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.956 -9.440 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.194 -10.655 -3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.423 -11.352 -2.809 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.240 -10.234 -3.883 1.00 0.00 H new ATOM 1026 N ARG A 67 -0.388 -11.048 -7.136 1.00 0.00 N ATOM 1027 CA ARG A 67 -1.614 -11.250 -7.881 1.00 0.00 C ATOM 1028 C ARG A 67 -1.700 -12.707 -8.389 1.00 0.00 C ATOM 1029 O ARG A 67 -2.749 -13.340 -8.316 1.00 0.00 O ATOM 1030 CB ARG A 67 -1.650 -10.251 -9.083 1.00 0.00 C ATOM 1031 CG ARG A 67 -3.069 -10.185 -9.672 1.00 0.00 C ATOM 1032 CD ARG A 67 -3.150 -9.227 -10.877 1.00 0.00 C ATOM 1033 NE ARG A 67 -4.538 -9.208 -11.374 1.00 0.00 N ATOM 1034 CZ ARG A 67 -5.531 -8.565 -10.728 1.00 0.00 C ATOM 1035 NH1 ARG A 67 -5.302 -7.940 -9.599 1.00 0.00 N ATOM 1036 NH2 ARG A 67 -6.737 -8.580 -11.224 1.00 0.00 N ATOM 0 H ARG A 67 0.174 -10.264 -7.467 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.469 -11.067 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.339 -9.260 -8.752 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.944 -10.567 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.380 -11.183 -9.981 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.767 -9.858 -8.901 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.840 -8.224 -10.584 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.471 -9.553 -11.665 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.755 -9.701 -12.240 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.364 -7.936 -9.199 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.062 -7.457 -9.120 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.924 -9.076 -12.095 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.493 -8.096 -10.741 1.00 0.00 H new ATOM 1050 N GLU A 68 -0.572 -13.216 -8.901 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.490 -14.593 -9.413 1.00 0.00 C ATOM 1052 C GLU A 68 -0.577 -15.587 -8.243 1.00 0.00 C ATOM 1053 O GLU A 68 -1.094 -16.689 -8.391 1.00 0.00 O ATOM 1054 CB GLU A 68 0.853 -14.782 -10.175 1.00 0.00 C ATOM 1055 CG GLU A 68 0.918 -13.843 -11.416 1.00 0.00 C ATOM 1056 CD GLU A 68 2.240 -14.011 -12.192 1.00 0.00 C ATOM 1057 OE1 GLU A 68 3.064 -14.823 -11.794 1.00 0.00 O ATOM 1058 OE2 GLU A 68 2.402 -13.319 -13.186 1.00 0.00 O ATOM 0 H GLU A 68 0.301 -12.693 -8.972 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.319 -14.778 -10.096 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.688 -14.570 -9.508 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.954 -15.820 -10.492 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.078 -14.056 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.815 -12.807 -11.094 1.00 0.00 H new ATOM 1065 N ASP A 69 -0.056 -15.176 -7.081 1.00 0.00 N ATOM 1066 CA ASP A 69 -0.072 -16.027 -5.869 1.00 0.00 C ATOM 1067 C ASP A 69 -1.459 -15.999 -5.220 1.00 0.00 C ATOM 1068 O ASP A 69 -1.774 -16.844 -4.380 1.00 0.00 O ATOM 1069 CB ASP A 69 0.980 -15.524 -4.847 1.00 0.00 C ATOM 1070 CG ASP A 69 2.369 -15.488 -5.492 1.00 0.00 C ATOM 1071 OD1 ASP A 69 2.679 -16.410 -6.228 1.00 0.00 O ATOM 1072 OD2 ASP A 69 3.100 -14.544 -5.238 1.00 0.00 O ATOM 0 H ASP A 69 0.382 -14.265 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 69 0.169 -17.048 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.709 -14.529 -4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.993 -16.178 -3.975 1.00 0.00 H new ATOM 1077 N LEU A 70 -2.280 -15.003 -5.602 1.00 0.00 N ATOM 1078 CA LEU A 70 -3.638 -14.857 -5.032 1.00 0.00 C ATOM 1079 C LEU A 70 -4.553 -15.995 -5.496 1.00 0.00 C ATOM 1080 O LEU A 70 -5.329 -16.539 -4.710 1.00 0.00 O ATOM 1081 CB LEU A 70 -4.272 -13.481 -5.432 1.00 0.00 C ATOM 1082 CG LEU A 70 -5.682 -13.236 -4.755 1.00 0.00 C ATOM 1083 CD1 LEU A 70 -5.591 -13.215 -3.189 1.00 0.00 C ATOM 1084 CD2 LEU A 70 -6.284 -11.897 -5.289 1.00 0.00 C ATOM 0 H LEU A 70 -2.034 -14.295 -6.293 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.541 -14.899 -3.947 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.593 -12.677 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.382 -13.438 -6.516 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.336 -14.067 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.582 -13.044 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.207 -14.171 -2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.921 -12.415 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.255 -11.724 -4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.613 -11.073 -5.044 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.404 -11.958 -6.371 1.00 0.00 H new ATOM 1096 N ASP A 71 -4.458 -16.335 -6.788 1.00 0.00 N ATOM 1097 CA ASP A 71 -5.288 -17.395 -7.397 1.00 0.00 C ATOM 1098 C ASP A 71 -4.620 -18.763 -7.222 1.00 0.00 C ATOM 1099 O ASP A 71 -5.259 -19.734 -6.803 1.00 0.00 O ATOM 1100 CB ASP A 71 -5.512 -17.071 -8.901 1.00 0.00 C ATOM 1101 CG ASP A 71 -4.176 -16.877 -9.627 1.00 0.00 C ATOM 1102 OD1 ASP A 71 -3.387 -16.080 -9.155 1.00 0.00 O ATOM 1103 OD2 ASP A 71 -3.976 -17.504 -10.659 1.00 0.00 O ATOM 0 H ASP A 71 -3.811 -15.891 -7.440 1.00 0.00 H new ATOM 0 HA ASP A 71 -6.256 -17.432 -6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.071 -17.880 -9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -6.116 -16.169 -8.996 1.00 0.00 H new ATOM 1108 N LEU A 72 -3.321 -18.823 -7.534 1.00 0.00 N ATOM 1109 CA LEU A 72 -2.536 -20.057 -7.411 1.00 0.00 C ATOM 1110 C LEU A 72 -2.359 -20.415 -5.924 1.00 0.00 C ATOM 1111 O LEU A 72 -1.376 -20.026 -5.288 1.00 0.00 O ATOM 1112 CB LEU A 72 -1.156 -19.855 -8.102 1.00 0.00 C ATOM 1113 CG LEU A 72 -1.304 -19.486 -9.627 1.00 0.00 C ATOM 1114 CD1 LEU A 72 0.099 -19.137 -10.217 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -1.954 -20.652 -10.458 1.00 0.00 C ATOM 0 H LEU A 72 -2.787 -18.024 -7.876 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.057 -20.880 -7.900 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.607 -19.065 -7.590 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.566 -20.767 -8.006 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.968 -18.624 -9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.003 -18.882 -11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.520 -18.289 -9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.761 -19.997 -10.114 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.036 -20.352 -11.503 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.331 -21.543 -10.384 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.947 -20.870 -10.064 1.00 0.00 H new ATOM 1127 N ASP A 73 -3.331 -21.170 -5.388 1.00 0.00 N ATOM 1128 CA ASP A 73 -3.310 -21.612 -3.993 1.00 0.00 C ATOM 1129 C ASP A 73 -2.217 -22.676 -3.833 1.00 0.00 C ATOM 1130 O ASP A 73 -2.483 -23.878 -3.921 1.00 0.00 O ATOM 1131 CB ASP A 73 -4.702 -22.195 -3.627 1.00 0.00 C ATOM 1132 CG ASP A 73 -5.791 -21.131 -3.834 1.00 0.00 C ATOM 1133 OD1 ASP A 73 -5.586 -20.014 -3.390 1.00 0.00 O ATOM 1134 OD2 ASP A 73 -6.809 -21.450 -4.432 1.00 0.00 O ATOM 0 H ASP A 73 -4.148 -21.488 -5.910 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.094 -20.777 -3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.913 -23.068 -4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.703 -22.531 -2.590 1.00 0.00 H new ATOM 1139 N HIS A 74 -0.976 -22.216 -3.606 1.00 0.00 N ATOM 1140 CA HIS A 74 0.175 -23.113 -3.433 1.00 0.00 C ATOM 1141 C HIS A 74 -0.006 -23.906 -2.142 1.00 0.00 C ATOM 1142 O HIS A 74 0.434 -25.051 -2.036 1.00 0.00 O ATOM 1143 CB HIS A 74 1.487 -22.282 -3.384 1.00 0.00 C ATOM 1144 CG HIS A 74 1.671 -21.547 -4.690 1.00 0.00 C ATOM 1145 ND1 HIS A 74 2.039 -22.202 -5.853 1.00 0.00 N ATOM 1146 CD2 HIS A 74 1.523 -20.226 -5.034 1.00 0.00 C ATOM 1147 CE1 HIS A 74 2.097 -21.286 -6.835 1.00 0.00 C ATOM 1148 NE2 HIS A 74 1.792 -20.064 -6.390 1.00 0.00 N ATOM 0 H HIS A 74 -0.745 -21.225 -3.538 1.00 0.00 H new ATOM 0 HA HIS A 74 0.239 -23.805 -4.273 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.449 -21.572 -2.558 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.338 -22.938 -3.201 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.241 -19.434 -4.356 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.358 -21.511 -7.859 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.763 -19.198 -6.928 1.00 0.00 H new ATOM 1156 N SER A 75 -0.653 -23.268 -1.154 1.00 0.00 N ATOM 1157 CA SER A 75 -0.902 -23.887 0.157 1.00 0.00 C ATOM 1158 C SER A 75 0.405 -24.389 0.777 1.00 0.00 C ATOM 1159 O SER A 75 0.402 -25.204 1.699 1.00 0.00 O ATOM 1160 CB SER A 75 -1.904 -25.052 0.023 1.00 0.00 C ATOM 1161 OG SER A 75 -2.151 -25.607 1.311 1.00 0.00 O ATOM 0 H SER A 75 -1.015 -22.318 -1.240 1.00 0.00 H new ATOM 0 HA SER A 75 -1.329 -23.129 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.836 -24.697 -0.418 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.505 -25.816 -0.645 1.00 0.00 H new ATOM 0 HG SER A 75 -1.298 -25.775 1.764 1.00 0.00 H new ATOM 1167 N SER A 76 1.525 -23.880 0.240 1.00 0.00 N ATOM 1168 CA SER A 76 2.862 -24.252 0.707 1.00 0.00 C ATOM 1169 C SER A 76 3.035 -23.856 2.162 1.00 0.00 C ATOM 1170 O SER A 76 3.627 -24.590 2.954 1.00 0.00 O ATOM 1171 CB SER A 76 3.943 -23.541 -0.138 1.00 0.00 C ATOM 1172 OG SER A 76 5.231 -23.935 0.323 1.00 0.00 O ATOM 0 H SER A 76 1.526 -23.204 -0.524 1.00 0.00 H new ATOM 0 HA SER A 76 2.972 -25.332 0.604 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.826 -23.798 -1.191 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.830 -22.460 -0.059 1.00 0.00 H new ATOM 0 HG SER A 76 5.920 -23.488 -0.211 1.00 0.00 H new ATOM 1178 N LEU A 77 2.531 -22.660 2.493 1.00 0.00 N ATOM 1179 CA LEU A 77 2.650 -22.125 3.850 1.00 0.00 C ATOM 1180 C LEU A 77 1.809 -22.965 4.855 1.00 0.00 C ATOM 1181 O LEU A 77 0.739 -23.453 4.477 1.00 0.00 O ATOM 1182 CB LEU A 77 2.189 -20.636 3.874 1.00 0.00 C ATOM 1183 CG LEU A 77 2.955 -19.765 2.812 1.00 0.00 C ATOM 1184 CD1 LEU A 77 2.436 -18.294 2.870 1.00 0.00 C ATOM 1185 CD2 LEU A 77 4.508 -19.798 3.042 1.00 0.00 C ATOM 0 H LEU A 77 2.039 -22.049 1.841 1.00 0.00 H new ATOM 0 HA LEU A 77 3.695 -22.182 4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.118 -20.585 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.353 -20.222 4.869 1.00 0.00 H new ATOM 0 HG LEU A 77 2.760 -20.187 1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.968 -17.691 2.134 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.368 -18.276 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.609 -17.886 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.001 -19.184 2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.737 -19.408 4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.866 -20.825 2.964 1.00 0.00 H new ATOM 1197 N PRO A 78 2.237 -23.138 6.130 1.00 0.00 N ATOM 1198 CA PRO A 78 1.435 -23.918 7.157 1.00 0.00 C ATOM 1199 C PRO A 78 -0.079 -23.576 7.129 1.00 0.00 C ATOM 1200 O PRO A 78 -0.869 -24.413 7.540 1.00 0.00 O ATOM 1201 CB PRO A 78 2.099 -23.513 8.514 1.00 0.00 C ATOM 1202 CG PRO A 78 3.547 -23.253 8.161 1.00 0.00 C ATOM 1203 CD PRO A 78 3.519 -22.640 6.734 1.00 0.00 C ATOM 1204 OXT PRO A 78 -0.412 -22.486 6.691 1.00 0.00 O ATOM 0 HA PRO A 78 1.459 -24.991 6.970 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.628 -22.626 8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.007 -24.308 9.254 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.009 -22.569 8.873 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.128 -24.175 8.181 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.543 -21.551 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.382 -22.958 6.149 1.00 0.00 H new TER 1212 PRO A 78