USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 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 32 LYS NZ :NH3+ -149:sc= 0.162 (180deg=0) USER MOD Set 1.2: A 33 GLN : amide:sc= -0.139 K(o=0.023,f=-1.9) USER MOD Single : A 6 MET CE :methyl -116:sc= -1.85 (180deg=-5.63!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.014 USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= -0.158 (180deg=-0.957) USER MOD Single : A 19 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=-0.0034) USER MOD Single : A 20 GLN : amide:sc= -0.0311 K(o=-0.031,f=-1.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.93) USER MOD Single : A 30 SER OG : rot -55:sc= 0.00262 USER MOD Single : A 31 HIS : no HD1:sc= -0.143 K(o=-0.14,f=-0.75) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN :FLIP amide:sc= -2.16 F(o=-5.4!,f=-2.2) USER MOD Single : A 60 GLN : amide:sc= -1.76 X(o=-1.8,f=-1.9) USER MOD Single : A 62 ASN : amide:sc= 0.235 K(o=0.23,f=-6!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.772 X(o=-0.77,f=-0.92) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0067 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.667 -2.299 -3.722 1.00 0.00 N ATOM 19 CA ASP A 2 0.044 -3.353 -4.514 1.00 0.00 C ATOM 20 C ASP A 2 0.707 -3.470 -5.882 1.00 0.00 C ATOM 21 O ASP A 2 0.043 -3.735 -6.884 1.00 0.00 O ATOM 22 CB ASP A 2 -1.452 -3.079 -4.680 1.00 0.00 C ATOM 23 CG ASP A 2 -2.130 -2.750 -3.364 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.149 -1.560 -2.987 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.642 -3.684 -2.712 1.00 0.00 O ATOM 0 HA ASP A 2 0.176 -4.297 -3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.592 -2.251 -5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -1.931 -3.952 -5.124 1.00 0.00 H new ATOM 30 N ARG A 3 2.021 -3.268 -5.916 1.00 0.00 N ATOM 31 CA ARG A 3 2.774 -3.348 -7.162 1.00 0.00 C ATOM 32 C ARG A 3 2.749 -4.767 -7.722 1.00 0.00 C ATOM 33 O ARG A 3 2.810 -5.742 -6.972 1.00 0.00 O ATOM 34 CB ARG A 3 4.220 -2.902 -6.938 1.00 0.00 C ATOM 35 CG ARG A 3 4.341 -1.526 -6.303 1.00 0.00 C ATOM 36 CD ARG A 3 5.784 -1.201 -5.950 1.00 0.00 C ATOM 37 NE ARG A 3 6.636 -1.137 -7.134 1.00 0.00 N ATOM 38 CZ ARG A 3 7.964 -1.129 -7.084 1.00 0.00 C ATOM 39 NH1 ARG A 3 8.587 -1.182 -5.915 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.671 -1.069 -8.205 1.00 0.00 N ATOM 0 H ARG A 3 2.585 -3.048 -5.095 1.00 0.00 H new ATOM 0 HA ARG A 3 2.303 -2.682 -7.885 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.722 -3.632 -6.303 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.743 -2.899 -7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 3 3.954 -0.772 -6.989 1.00 0.00 H new ATOM 0 HG3 ARG A 3 3.727 -1.484 -5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.822 -0.247 -5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.169 -1.958 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 3 6.188 -1.096 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.047 -1.229 -5.051 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.606 -1.176 -5.880 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.195 -1.029 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.690 -1.063 -8.165 1.00 0.00 H new ATOM 54 N ILE A 4 2.659 -4.875 -9.043 1.00 0.00 N ATOM 55 CA ILE A 4 2.627 -6.174 -9.703 1.00 0.00 C ATOM 56 C ILE A 4 3.498 -6.177 -10.955 1.00 0.00 C ATOM 57 O ILE A 4 3.153 -5.564 -11.966 1.00 0.00 O ATOM 58 CB ILE A 4 1.191 -6.574 -10.090 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.288 -6.573 -8.855 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.184 -7.941 -10.757 1.00 0.00 C ATOM 61 CD1 ILE A 4 -1.187 -6.615 -9.185 1.00 0.00 C ATOM 0 H ILE A 4 2.607 -4.078 -9.678 1.00 0.00 H new ATOM 0 HA ILE A 4 3.018 -6.899 -8.990 1.00 0.00 H new ATOM 0 HB ILE A 4 0.804 -5.843 -10.800 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.537 -7.432 -8.232 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.495 -5.680 -8.265 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.162 -8.210 -11.025 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.799 -7.910 -11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.586 -8.684 -10.068 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.767 -6.612 -8.262 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.451 -5.742 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.408 -7.521 -9.749 1.00 0.00 H new ATOM 73 N PHE A 5 4.629 -6.871 -10.881 1.00 0.00 N ATOM 74 CA PHE A 5 5.550 -6.955 -12.008 1.00 0.00 C ATOM 75 C PHE A 5 5.031 -7.928 -13.064 1.00 0.00 C ATOM 76 O PHE A 5 4.294 -8.863 -12.752 1.00 0.00 O ATOM 77 CB PHE A 5 6.936 -7.395 -11.531 1.00 0.00 C ATOM 78 CG PHE A 5 7.503 -6.519 -10.450 1.00 0.00 C ATOM 79 CD1 PHE A 5 7.987 -5.255 -10.747 1.00 0.00 C ATOM 80 CD2 PHE A 5 7.551 -6.960 -9.138 1.00 0.00 C ATOM 81 CE1 PHE A 5 8.510 -4.448 -9.754 1.00 0.00 C ATOM 82 CE2 PHE A 5 8.073 -6.157 -8.141 1.00 0.00 C ATOM 83 CZ PHE A 5 8.552 -4.899 -8.450 1.00 0.00 C ATOM 0 H PHE A 5 4.930 -7.383 -10.052 1.00 0.00 H new ATOM 0 HA PHE A 5 5.625 -5.965 -12.457 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.877 -8.420 -11.164 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.619 -7.399 -12.380 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.955 -4.896 -11.765 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.176 -7.942 -8.891 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.886 -3.465 -9.998 1.00 0.00 H new ATOM 0 HE2 PHE A 5 8.106 -6.513 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.959 -4.269 -7.673 1.00 0.00 H new ATOM 93 N MET A 6 5.421 -7.699 -14.313 1.00 0.00 N ATOM 94 CA MET A 6 4.996 -8.555 -15.415 1.00 0.00 C ATOM 95 C MET A 6 5.604 -8.087 -16.733 1.00 0.00 C ATOM 96 O MET A 6 5.979 -6.923 -16.877 1.00 0.00 O ATOM 97 CB MET A 6 3.470 -8.568 -15.519 1.00 0.00 C ATOM 98 CG MET A 6 2.835 -7.202 -15.316 1.00 0.00 C ATOM 99 SD MET A 6 1.034 -7.256 -15.380 1.00 0.00 S ATOM 100 CE MET A 6 0.681 -8.380 -14.031 1.00 0.00 C ATOM 0 H MET A 6 6.030 -6.929 -14.588 1.00 0.00 H new ATOM 0 HA MET A 6 5.348 -9.567 -15.213 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.184 -8.950 -16.499 1.00 0.00 H new ATOM 0 HB3 MET A 6 3.069 -9.259 -14.778 1.00 0.00 H new ATOM 0 HG2 MET A 6 3.148 -6.800 -14.353 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.201 -6.518 -16.082 1.00 0.00 H new ATOM 0 HE1 MET A 6 0.210 -9.282 -14.423 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.610 -8.645 -13.526 1.00 0.00 H new ATOM 0 HE3 MET A 6 0.008 -7.898 -13.322 1.00 0.00 H new ATOM 110 N THR A 7 5.699 -9.001 -17.694 1.00 0.00 N ATOM 111 CA THR A 7 6.262 -8.681 -19.000 1.00 0.00 C ATOM 112 C THR A 7 5.170 -8.290 -19.989 1.00 0.00 C ATOM 113 O THR A 7 3.991 -8.242 -19.639 1.00 0.00 O ATOM 114 CB THR A 7 7.057 -9.869 -19.574 1.00 0.00 C ATOM 115 OG1 THR A 7 6.170 -10.949 -19.883 1.00 0.00 O ATOM 116 CG2 THR A 7 8.114 -10.340 -18.587 1.00 0.00 C ATOM 0 H THR A 7 5.393 -9.969 -17.592 1.00 0.00 H new ATOM 0 HA THR A 7 6.936 -7.837 -18.856 1.00 0.00 H new ATOM 0 HB THR A 7 7.555 -9.538 -20.485 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.683 -11.699 -20.249 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.662 -11.179 -19.014 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.805 -9.524 -18.377 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.633 -10.655 -17.661 1.00 0.00 H new ATOM 124 N ARG A 8 5.570 -8.010 -21.225 1.00 0.00 N ATOM 125 CA ARG A 8 4.625 -7.622 -22.265 1.00 0.00 C ATOM 126 C ARG A 8 3.481 -8.628 -22.363 1.00 0.00 C ATOM 127 O ARG A 8 2.311 -8.250 -22.433 1.00 0.00 O ATOM 128 CB ARG A 8 5.336 -7.510 -23.614 1.00 0.00 C ATOM 129 CG ARG A 8 6.152 -8.740 -23.977 1.00 0.00 C ATOM 130 CD ARG A 8 7.013 -8.495 -25.207 1.00 0.00 C ATOM 131 NE ARG A 8 6.207 -8.324 -26.413 1.00 0.00 N ATOM 132 CZ ARG A 8 5.679 -9.335 -27.093 1.00 0.00 C ATOM 133 NH1 ARG A 8 5.869 -10.583 -26.687 1.00 0.00 N ATOM 134 NH2 ARG A 8 4.957 -9.099 -28.182 1.00 0.00 N ATOM 0 H ARG A 8 6.543 -8.045 -21.531 1.00 0.00 H new ATOM 0 HA ARG A 8 4.210 -6.650 -21.999 1.00 0.00 H new ATOM 0 HB2 ARG A 8 4.594 -7.334 -24.393 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.993 -6.640 -23.598 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.788 -9.017 -23.136 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.483 -9.580 -24.162 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.625 -7.606 -25.050 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.697 -9.333 -25.344 1.00 0.00 H new ATOM 0 HE ARG A 8 6.041 -7.376 -26.751 1.00 0.00 H new ATOM 0 HH11 ARG A 8 6.422 -10.768 -25.850 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.462 -11.357 -27.211 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.808 -8.140 -28.497 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.552 -9.876 -28.704 1.00 0.00 H new ATOM 148 N THR A 9 3.828 -9.911 -22.367 1.00 0.00 N ATOM 149 CA THR A 9 2.831 -10.971 -22.459 1.00 0.00 C ATOM 150 C THR A 9 1.929 -10.985 -21.230 1.00 0.00 C ATOM 151 O THR A 9 0.705 -10.932 -21.348 1.00 0.00 O ATOM 152 CB THR A 9 3.494 -12.353 -22.610 1.00 0.00 C ATOM 153 OG1 THR A 9 4.663 -12.249 -23.429 1.00 0.00 O ATOM 154 CG2 THR A 9 2.526 -13.353 -23.224 1.00 0.00 C ATOM 0 H THR A 9 4.791 -10.241 -22.308 1.00 0.00 H new ATOM 0 HA THR A 9 2.231 -10.765 -23.345 1.00 0.00 H new ATOM 0 HB THR A 9 3.776 -12.706 -21.618 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.079 -13.132 -23.518 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.016 -14.322 -23.321 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.650 -13.452 -22.583 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.217 -13.003 -24.209 1.00 0.00 H new ATOM 162 N GLU A 10 2.541 -11.054 -20.052 1.00 0.00 N ATOM 163 CA GLU A 10 1.791 -11.075 -18.802 1.00 0.00 C ATOM 164 C GLU A 10 0.957 -9.806 -18.647 1.00 0.00 C ATOM 165 O GLU A 10 0.003 -9.769 -17.871 1.00 0.00 O ATOM 166 CB GLU A 10 2.742 -11.221 -17.613 1.00 0.00 C ATOM 167 CG GLU A 10 3.380 -12.596 -17.509 1.00 0.00 C ATOM 168 CD GLU A 10 2.451 -13.626 -16.896 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.406 -13.716 -15.651 1.00 0.00 O ATOM 170 OE2 GLU A 10 1.770 -14.341 -17.660 1.00 0.00 O ATOM 0 H GLU A 10 3.554 -11.096 -19.937 1.00 0.00 H new ATOM 0 HA GLU A 10 1.118 -11.932 -18.827 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.528 -10.470 -17.693 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.195 -11.013 -16.693 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.680 -12.929 -18.502 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.287 -12.527 -16.908 1.00 0.00 H new ATOM 177 N ALA A 11 1.325 -8.769 -19.392 1.00 0.00 N ATOM 178 CA ALA A 11 0.611 -7.499 -19.339 1.00 0.00 C ATOM 179 C ALA A 11 -0.889 -7.704 -19.521 1.00 0.00 C ATOM 180 O ALA A 11 -1.697 -6.907 -19.044 1.00 0.00 O ATOM 181 CB ALA A 11 1.148 -6.547 -20.398 1.00 0.00 C ATOM 0 H ALA A 11 2.113 -8.783 -20.039 1.00 0.00 H new ATOM 0 HA ALA A 11 0.774 -7.060 -18.355 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.606 -5.603 -20.347 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.208 -6.367 -20.221 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.015 -6.989 -21.386 1.00 0.00 H new ATOM 187 N LEU A 12 -1.254 -8.777 -20.214 1.00 0.00 N ATOM 188 CA LEU A 12 -2.658 -9.087 -20.460 1.00 0.00 C ATOM 189 C LEU A 12 -3.463 -9.032 -19.165 1.00 0.00 C ATOM 190 O LEU A 12 -4.566 -8.487 -19.132 1.00 0.00 O ATOM 191 CB LEU A 12 -2.791 -10.471 -21.098 1.00 0.00 C ATOM 192 CG LEU A 12 -2.075 -10.665 -22.435 1.00 0.00 C ATOM 193 CD1 LEU A 12 -1.662 -12.118 -22.613 1.00 0.00 C ATOM 194 CD2 LEU A 12 -2.964 -10.217 -23.586 1.00 0.00 C ATOM 0 H LEU A 12 -0.598 -9.447 -20.615 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.055 -8.338 -21.145 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.411 -11.212 -20.394 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.851 -10.682 -21.242 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.175 -10.050 -22.436 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.154 -12.237 -23.570 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.988 -12.406 -21.806 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.547 -12.753 -22.591 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.438 -10.362 -24.530 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.881 -10.805 -23.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.210 -9.162 -23.466 1.00 0.00 H new ATOM 206 N GLU A 13 -2.902 -9.598 -18.101 1.00 0.00 N ATOM 207 CA GLU A 13 -3.568 -9.612 -16.804 1.00 0.00 C ATOM 208 C GLU A 13 -3.861 -8.192 -16.328 1.00 0.00 C ATOM 209 O GLU A 13 -4.891 -7.934 -15.705 1.00 0.00 O ATOM 210 CB GLU A 13 -2.706 -10.340 -15.771 1.00 0.00 C ATOM 211 CG GLU A 13 -2.916 -11.845 -15.755 1.00 0.00 C ATOM 212 CD GLU A 13 -4.313 -12.234 -15.310 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.676 -11.921 -14.156 1.00 0.00 O ATOM 214 OE2 GLU A 13 -5.042 -12.852 -16.113 1.00 0.00 O ATOM 0 H GLU A 13 -1.989 -10.052 -18.112 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.514 -10.142 -16.916 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.656 -10.130 -15.974 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.925 -9.940 -14.781 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.732 -12.244 -16.752 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.185 -12.303 -15.088 1.00 0.00 H new ATOM 221 N PHE A 14 -2.947 -7.274 -16.625 1.00 0.00 N ATOM 222 CA PHE A 14 -3.105 -5.880 -16.226 1.00 0.00 C ATOM 223 C PHE A 14 -4.212 -5.207 -17.033 1.00 0.00 C ATOM 224 O PHE A 14 -5.082 -4.537 -16.475 1.00 0.00 O ATOM 225 CB PHE A 14 -1.789 -5.122 -16.412 1.00 0.00 C ATOM 226 CG PHE A 14 -1.932 -3.633 -16.279 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.687 -3.085 -15.255 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.310 -2.781 -17.178 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.820 -1.714 -15.132 1.00 0.00 C ATOM 230 CE2 PHE A 14 -1.439 -1.410 -17.059 1.00 0.00 C ATOM 231 CZ PHE A 14 -2.194 -0.876 -16.034 1.00 0.00 C ATOM 0 H PHE A 14 -2.089 -7.470 -17.141 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.382 -5.858 -15.172 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.067 -5.477 -15.676 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.381 -5.354 -17.396 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.177 -3.735 -14.545 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.717 -3.193 -17.981 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.413 -1.299 -14.331 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.950 -0.757 -17.767 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.295 0.195 -15.938 1.00 0.00 H new ATOM 241 N LEU A 15 -4.171 -5.388 -18.348 1.00 0.00 N ATOM 242 CA LEU A 15 -5.169 -4.797 -19.233 1.00 0.00 C ATOM 243 C LEU A 15 -6.553 -5.375 -18.955 1.00 0.00 C ATOM 244 O LEU A 15 -7.569 -4.716 -19.179 1.00 0.00 O ATOM 245 CB LEU A 15 -4.789 -5.037 -20.695 1.00 0.00 C ATOM 246 CG LEU A 15 -3.346 -4.702 -21.077 1.00 0.00 C ATOM 247 CD1 LEU A 15 -2.974 -5.368 -22.393 1.00 0.00 C ATOM 248 CD2 LEU A 15 -3.154 -3.196 -21.166 1.00 0.00 C ATOM 0 H LEU A 15 -3.458 -5.939 -18.825 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.198 -3.724 -19.043 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.972 -6.086 -20.930 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.456 -4.448 -21.324 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.686 -5.087 -20.300 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.944 -5.118 -22.649 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.072 -6.449 -22.294 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.639 -5.014 -23.181 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.122 -2.976 -21.439 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.824 -2.788 -21.923 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.378 -2.743 -20.200 1.00 0.00 H new ATOM 260 N LEU A 16 -6.586 -6.609 -18.463 1.00 0.00 N ATOM 261 CA LEU A 16 -7.845 -7.275 -18.151 1.00 0.00 C ATOM 262 C LEU A 16 -8.344 -6.876 -16.765 1.00 0.00 C ATOM 263 O LEU A 16 -9.507 -6.509 -16.594 1.00 0.00 O ATOM 264 CB LEU A 16 -7.674 -8.793 -18.226 1.00 0.00 C ATOM 265 CG LEU A 16 -8.927 -9.593 -18.587 1.00 0.00 C ATOM 266 CD1 LEU A 16 -10.016 -9.375 -17.548 1.00 0.00 C ATOM 267 CD2 LEU A 16 -9.424 -9.208 -19.973 1.00 0.00 C ATOM 0 H LEU A 16 -5.755 -7.168 -18.272 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.585 -6.962 -18.887 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.901 -9.016 -18.961 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.308 -9.145 -17.262 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.669 -10.652 -18.597 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.900 -9.952 -17.821 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.658 -9.701 -16.571 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.272 -8.316 -17.506 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -10.316 -9.787 -20.213 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.665 -8.145 -19.991 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.647 -9.416 -20.709 1.00 0.00 H new ATOM 279 N LYS A 17 -7.456 -6.948 -15.779 1.00 0.00 N ATOM 280 CA LYS A 17 -7.803 -6.591 -14.409 1.00 0.00 C ATOM 281 C LYS A 17 -8.114 -5.102 -14.296 1.00 0.00 C ATOM 282 O LYS A 17 -8.892 -4.684 -13.439 1.00 0.00 O ATOM 283 CB LYS A 17 -6.660 -6.958 -13.460 1.00 0.00 C ATOM 284 CG LYS A 17 -5.492 -5.988 -13.511 1.00 0.00 C ATOM 285 CD LYS A 17 -4.257 -6.567 -12.841 1.00 0.00 C ATOM 286 CE LYS A 17 -4.511 -6.875 -11.374 1.00 0.00 C ATOM 287 NZ LYS A 17 -4.999 -8.268 -11.176 1.00 0.00 N ATOM 0 H LYS A 17 -6.490 -7.251 -15.904 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.695 -7.152 -14.129 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.044 -6.998 -12.441 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.302 -7.958 -13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.264 -5.746 -14.549 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.770 -5.056 -13.020 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.955 -7.478 -13.358 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.430 -5.862 -12.928 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.591 -6.728 -10.808 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.245 -6.173 -10.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.930 -8.247 -10.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.081 -8.741 -12.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.327 -8.790 -10.578 1.00 0.00 H new ATOM 301 N ALA A 18 -7.502 -4.307 -15.168 1.00 0.00 N ATOM 302 CA ALA A 18 -7.717 -2.865 -15.168 1.00 0.00 C ATOM 303 C ALA A 18 -9.177 -2.528 -15.448 1.00 0.00 C ATOM 304 O ALA A 18 -9.729 -1.588 -14.875 1.00 0.00 O ATOM 305 CB ALA A 18 -6.813 -2.197 -16.193 1.00 0.00 C ATOM 0 H ALA A 18 -6.854 -4.637 -15.883 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.467 -2.485 -14.177 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.984 -1.121 -16.182 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.771 -2.401 -15.947 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.035 -2.590 -17.185 1.00 0.00 H new ATOM 311 N HIS A 19 -9.799 -3.300 -16.334 1.00 0.00 N ATOM 312 CA HIS A 19 -11.197 -3.082 -16.690 1.00 0.00 C ATOM 313 C HIS A 19 -12.109 -3.339 -15.494 1.00 0.00 C ATOM 314 O HIS A 19 -13.135 -2.680 -15.333 1.00 0.00 O ATOM 315 CB HIS A 19 -11.595 -3.988 -17.855 1.00 0.00 C ATOM 316 CG HIS A 19 -11.278 -3.410 -19.200 1.00 0.00 C ATOM 317 ND1 HIS A 19 -10.566 -4.092 -20.163 1.00 0.00 N ATOM 318 CD2 HIS A 19 -11.583 -2.207 -19.740 1.00 0.00 C ATOM 319 CE1 HIS A 19 -10.444 -3.332 -21.238 1.00 0.00 C ATOM 320 NE2 HIS A 19 -11.053 -2.183 -21.007 1.00 0.00 N ATOM 0 H HIS A 19 -9.357 -4.082 -16.818 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.311 -2.041 -16.994 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -11.084 -4.945 -17.751 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -12.665 -4.190 -17.798 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -12.140 -1.414 -19.263 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -9.933 -3.604 -22.150 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -11.119 -1.405 -21.663 1.00 0.00 H new ATOM 328 N GLN A 20 -11.726 -4.301 -14.661 1.00 0.00 N ATOM 329 CA GLN A 20 -12.511 -4.646 -13.482 1.00 0.00 C ATOM 330 C GLN A 20 -12.785 -3.411 -12.630 1.00 0.00 C ATOM 331 O GLN A 20 -13.880 -3.244 -12.092 1.00 0.00 O ATOM 332 CB GLN A 20 -11.782 -5.703 -12.649 1.00 0.00 C ATOM 333 CG GLN A 20 -12.717 -6.622 -11.880 1.00 0.00 C ATOM 334 CD GLN A 20 -13.341 -7.688 -12.760 1.00 0.00 C ATOM 335 OE1 GLN A 20 -12.859 -7.962 -13.859 1.00 0.00 O ATOM 336 NE2 GLN A 20 -14.421 -8.294 -12.280 1.00 0.00 N ATOM 0 H GLN A 20 -10.878 -4.855 -14.781 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.465 -5.052 -13.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.156 -6.304 -13.308 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.117 -5.203 -11.945 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.165 -7.101 -11.071 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.507 -6.028 -11.420 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.786 -8.035 -11.364 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.885 -9.018 -12.828 1.00 0.00 H new ATOM 345 N THR A 21 -11.782 -2.546 -12.510 1.00 0.00 N ATOM 346 CA THR A 21 -11.914 -1.327 -11.723 1.00 0.00 C ATOM 347 C THR A 21 -12.594 -0.224 -12.527 1.00 0.00 C ATOM 348 O THR A 21 -13.329 0.595 -11.977 1.00 0.00 O ATOM 349 CB THR A 21 -10.543 -0.821 -11.236 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.721 -1.928 -10.851 1.00 0.00 O ATOM 351 CG2 THR A 21 -10.704 0.131 -10.061 1.00 0.00 C ATOM 0 H THR A 21 -10.869 -2.668 -12.948 1.00 0.00 H new ATOM 0 HA THR A 21 -12.530 -1.575 -10.858 1.00 0.00 H new ATOM 0 HB THR A 21 -10.066 -0.283 -12.056 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.851 -1.598 -10.544 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.723 0.475 -9.734 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.306 0.987 -10.366 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.199 -0.386 -9.239 1.00 0.00 H new ATOM 359 N ALA A 22 -12.344 -0.210 -13.832 1.00 0.00 N ATOM 360 CA ALA A 22 -12.934 0.791 -14.712 1.00 0.00 C ATOM 361 C ALA A 22 -14.451 0.650 -14.764 1.00 0.00 C ATOM 362 O ALA A 22 -15.182 1.612 -14.528 1.00 0.00 O ATOM 363 CB ALA A 22 -12.344 0.678 -16.110 1.00 0.00 C ATOM 0 H ALA A 22 -11.737 -0.881 -14.303 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.700 1.776 -14.309 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.794 1.431 -16.757 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.266 0.836 -16.064 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.549 -0.314 -16.512 1.00 0.00 H new ATOM 369 N VAL A 23 -14.919 -0.554 -15.075 1.00 0.00 N ATOM 370 CA VAL A 23 -16.350 -0.821 -15.157 1.00 0.00 C ATOM 371 C VAL A 23 -17.062 -0.401 -13.876 1.00 0.00 C ATOM 372 O VAL A 23 -18.208 0.048 -13.909 1.00 0.00 O ATOM 373 CB VAL A 23 -16.629 -2.313 -15.421 1.00 0.00 C ATOM 374 CG1 VAL A 23 -18.123 -2.559 -15.569 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.878 -2.784 -16.657 1.00 0.00 C ATOM 0 H VAL A 23 -14.328 -1.361 -15.275 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.734 -0.234 -15.992 1.00 0.00 H new ATOM 0 HB VAL A 23 -16.273 -2.888 -14.566 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.301 -3.618 -15.755 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.633 -2.261 -14.653 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.507 -1.974 -16.405 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.086 -3.840 -16.829 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.201 -2.205 -17.522 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.807 -2.645 -16.507 1.00 0.00 H new ATOM 385 N ASP A 24 -16.375 -0.550 -12.749 1.00 0.00 N ATOM 386 CA ASP A 24 -16.941 -0.185 -11.455 1.00 0.00 C ATOM 387 C ASP A 24 -16.820 1.316 -11.213 1.00 0.00 C ATOM 388 O ASP A 24 -17.684 1.926 -10.583 1.00 0.00 O ATOM 389 CB ASP A 24 -16.240 -0.953 -10.333 1.00 0.00 C ATOM 390 CG ASP A 24 -17.117 -1.113 -9.106 1.00 0.00 C ATOM 391 OD1 ASP A 24 -17.495 -0.083 -8.510 1.00 0.00 O ATOM 392 OD2 ASP A 24 -17.423 -2.268 -8.742 1.00 0.00 O ATOM 0 H ASP A 24 -15.426 -0.921 -12.705 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.998 -0.450 -11.461 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.948 -1.938 -10.698 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.324 -0.431 -10.056 1.00 0.00 H new ATOM 397 N LYS A 25 -15.743 1.907 -11.718 1.00 0.00 N ATOM 398 CA LYS A 25 -15.507 3.337 -11.559 1.00 0.00 C ATOM 399 C LYS A 25 -16.646 4.147 -12.170 1.00 0.00 C ATOM 400 O LYS A 25 -17.092 5.140 -11.594 1.00 0.00 O ATOM 401 CB LYS A 25 -14.179 3.732 -12.208 1.00 0.00 C ATOM 402 CG LYS A 25 -13.679 5.102 -11.785 1.00 0.00 C ATOM 403 CD LYS A 25 -12.207 5.285 -12.115 1.00 0.00 C ATOM 404 CE LYS A 25 -11.317 4.591 -11.094 1.00 0.00 C ATOM 405 NZ LYS A 25 -9.927 5.123 -11.118 1.00 0.00 N ATOM 0 H LYS A 25 -15.018 1.417 -12.242 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.461 3.556 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.425 2.986 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.295 3.715 -13.292 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.264 5.874 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.831 5.231 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.003 4.885 -13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.969 6.348 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.738 4.721 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.300 3.520 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.352 4.625 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.515 4.977 -12.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.941 6.140 -10.900 1.00 0.00 H new ATOM 419 N ILE A 26 -17.111 3.717 -13.338 1.00 0.00 N ATOM 420 CA ILE A 26 -18.198 4.402 -14.026 1.00 0.00 C ATOM 421 C ILE A 26 -19.536 4.130 -13.346 1.00 0.00 C ATOM 422 O ILE A 26 -20.478 4.912 -13.470 1.00 0.00 O ATOM 423 CB ILE A 26 -18.289 3.974 -15.502 1.00 0.00 C ATOM 424 CG1 ILE A 26 -18.506 2.463 -15.606 1.00 0.00 C ATOM 425 CG2 ILE A 26 -17.030 4.387 -16.251 1.00 0.00 C ATOM 426 CD1 ILE A 26 -18.655 1.970 -17.028 1.00 0.00 C ATOM 0 H ILE A 26 -16.752 2.897 -13.828 1.00 0.00 H new ATOM 0 HA ILE A 26 -17.979 5.469 -13.979 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.142 4.476 -15.959 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.665 1.950 -15.139 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -19.398 2.193 -15.041 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -17.109 4.078 -17.293 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -16.916 5.470 -16.201 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -16.162 3.910 -15.795 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -18.806 0.890 -17.025 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -19.513 2.455 -17.493 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.754 2.209 -17.592 1.00 0.00 H new ATOM 438 N GLY A 27 -19.612 3.015 -12.625 1.00 0.00 N ATOM 439 CA GLY A 27 -20.837 2.660 -11.935 1.00 0.00 C ATOM 440 C GLY A 27 -21.792 1.877 -12.814 1.00 0.00 C ATOM 441 O GLY A 27 -23.011 2.005 -12.688 1.00 0.00 O ATOM 0 H GLY A 27 -18.846 2.352 -12.507 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.595 2.070 -11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.330 3.567 -11.587 1.00 0.00 H new ATOM 445 N HIS A 28 -21.239 1.065 -13.709 1.00 0.00 N ATOM 446 CA HIS A 28 -22.050 0.259 -14.615 1.00 0.00 C ATOM 447 C HIS A 28 -22.254 -1.146 -14.056 1.00 0.00 C ATOM 448 O HIS A 28 -21.476 -1.634 -13.236 1.00 0.00 O ATOM 449 CB HIS A 28 -21.391 0.182 -15.992 1.00 0.00 C ATOM 450 CG HIS A 28 -21.789 1.297 -16.910 1.00 0.00 C ATOM 451 ND1 HIS A 28 -21.895 1.146 -18.276 1.00 0.00 N ATOM 452 CD2 HIS A 28 -22.110 2.586 -16.649 1.00 0.00 C ATOM 453 CE1 HIS A 28 -22.262 2.294 -18.817 1.00 0.00 C ATOM 454 NE2 HIS A 28 -22.399 3.184 -17.851 1.00 0.00 N ATOM 0 H HIS A 28 -20.233 0.948 -13.826 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.025 0.737 -14.714 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.308 0.193 -15.869 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.649 -0.770 -16.456 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -22.134 3.056 -15.677 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -22.423 2.474 -19.870 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -22.675 4.158 -17.977 1.00 0.00 H new ATOM 462 N PRO A 29 -23.326 -1.814 -14.509 1.00 0.00 N ATOM 463 CA PRO A 29 -23.657 -3.172 -14.067 1.00 0.00 C ATOM 464 C PRO A 29 -22.668 -4.209 -14.590 1.00 0.00 C ATOM 465 O PRO A 29 -21.663 -3.864 -15.211 1.00 0.00 O ATOM 466 CB PRO A 29 -25.046 -3.410 -14.664 1.00 0.00 C ATOM 467 CG PRO A 29 -25.111 -2.506 -15.846 1.00 0.00 C ATOM 468 CD PRO A 29 -24.297 -1.294 -15.486 1.00 0.00 C ATOM 0 HA PRO A 29 -23.622 -3.268 -12.982 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -25.178 -4.452 -14.955 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -25.831 -3.178 -13.944 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -24.711 -2.995 -16.734 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -26.142 -2.231 -16.071 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -23.801 -0.869 -16.359 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.917 -0.507 -15.057 1.00 0.00 H new ATOM 476 N SER A 30 -22.961 -5.480 -14.336 1.00 0.00 N ATOM 477 CA SER A 30 -22.096 -6.567 -14.779 1.00 0.00 C ATOM 478 C SER A 30 -22.880 -7.584 -15.603 1.00 0.00 C ATOM 479 O SER A 30 -22.477 -8.741 -15.728 1.00 0.00 O ATOM 480 CB SER A 30 -21.452 -7.257 -13.575 1.00 0.00 C ATOM 481 OG SER A 30 -20.220 -7.861 -13.932 1.00 0.00 O ATOM 0 H SER A 30 -23.791 -5.783 -13.826 1.00 0.00 H new ATOM 0 HA SER A 30 -21.313 -6.142 -15.407 1.00 0.00 H new ATOM 0 HB2 SER A 30 -21.287 -6.530 -12.780 1.00 0.00 H new ATOM 0 HB3 SER A 30 -22.130 -8.013 -13.179 1.00 0.00 H new ATOM 0 HG SER A 30 -20.362 -8.476 -14.681 1.00 0.00 H new ATOM 487 N HIS A 31 -24.002 -7.144 -16.163 1.00 0.00 N ATOM 488 CA HIS A 31 -24.843 -8.015 -16.976 1.00 0.00 C ATOM 489 C HIS A 31 -24.023 -8.702 -18.064 1.00 0.00 C ATOM 490 O HIS A 31 -22.876 -8.332 -18.319 1.00 0.00 O ATOM 491 CB HIS A 31 -25.982 -7.214 -17.608 1.00 0.00 C ATOM 492 CG HIS A 31 -25.532 -6.295 -18.702 1.00 0.00 C ATOM 493 ND1 HIS A 31 -24.433 -5.471 -18.588 1.00 0.00 N ATOM 494 CD2 HIS A 31 -26.040 -6.074 -19.937 1.00 0.00 C ATOM 495 CE1 HIS A 31 -24.284 -4.782 -19.705 1.00 0.00 C ATOM 496 NE2 HIS A 31 -25.247 -5.129 -20.540 1.00 0.00 N ATOM 0 H HIS A 31 -24.350 -6.190 -16.069 1.00 0.00 H new ATOM 0 HA HIS A 31 -25.265 -8.781 -16.326 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -26.724 -7.906 -18.008 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -26.477 -6.628 -16.833 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -26.907 -6.552 -20.368 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -23.507 -4.058 -19.902 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -25.380 -4.756 -21.480 1.00 0.00 H new ATOM 504 N LYS A 32 -24.617 -9.704 -18.703 1.00 0.00 N ATOM 505 CA LYS A 32 -23.943 -10.443 -19.764 1.00 0.00 C ATOM 506 C LYS A 32 -23.437 -9.497 -20.848 1.00 0.00 C ATOM 507 O LYS A 32 -23.979 -8.408 -21.037 1.00 0.00 O ATOM 508 CB LYS A 32 -24.892 -11.476 -20.376 1.00 0.00 C ATOM 509 CG LYS A 32 -24.196 -12.480 -21.278 1.00 0.00 C ATOM 510 CD LYS A 32 -25.101 -13.656 -21.605 1.00 0.00 C ATOM 511 CE LYS A 32 -24.340 -14.763 -22.319 1.00 0.00 C ATOM 512 NZ LYS A 32 -24.159 -14.467 -23.767 1.00 0.00 N ATOM 0 H LYS A 32 -25.565 -10.023 -18.504 1.00 0.00 H new ATOM 0 HA LYS A 32 -23.087 -10.958 -19.327 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -25.399 -12.011 -19.574 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.661 -10.957 -20.949 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.888 -11.989 -22.201 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.290 -12.841 -20.791 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -25.537 -14.047 -20.686 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -25.927 -13.318 -22.231 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.365 -14.894 -21.850 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -24.877 -15.705 -22.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.141 -15.358 -24.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.947 -13.877 -24.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -23.262 -13.959 -23.908 1.00 0.00 H new ATOM 526 N GLN A 33 -22.396 -9.921 -21.558 1.00 0.00 N ATOM 527 CA GLN A 33 -21.818 -9.111 -22.624 1.00 0.00 C ATOM 528 C GLN A 33 -22.858 -8.798 -23.694 1.00 0.00 C ATOM 529 O GLN A 33 -23.832 -9.532 -23.863 1.00 0.00 O ATOM 530 CB GLN A 33 -20.624 -9.833 -23.251 1.00 0.00 C ATOM 531 CG GLN A 33 -20.995 -11.136 -23.940 1.00 0.00 C ATOM 532 CD GLN A 33 -20.655 -12.355 -23.106 1.00 0.00 C ATOM 533 OE1 GLN A 33 -21.509 -13.205 -22.851 1.00 0.00 O ATOM 534 NE2 GLN A 33 -19.402 -12.448 -22.676 1.00 0.00 N ATOM 0 H GLN A 33 -21.936 -10.820 -21.414 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.477 -8.171 -22.189 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -20.149 -9.171 -23.975 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -19.886 -10.039 -22.475 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -22.063 -11.136 -24.158 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -20.475 -11.198 -24.896 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.727 -11.720 -22.911 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.115 -13.247 -22.111 1.00 0.00 H new ATOM 543 N THR A 34 -22.646 -7.702 -24.416 1.00 0.00 N ATOM 544 CA THR A 34 -23.565 -7.290 -25.469 1.00 0.00 C ATOM 545 C THR A 34 -22.928 -7.441 -26.845 1.00 0.00 C ATOM 546 O THR A 34 -21.706 -7.499 -26.988 1.00 0.00 O ATOM 547 CB THR A 34 -24.015 -5.829 -25.282 1.00 0.00 C ATOM 548 OG1 THR A 34 -22.971 -5.070 -24.663 1.00 0.00 O ATOM 549 CG2 THR A 34 -25.275 -5.755 -24.432 1.00 0.00 C ATOM 0 H THR A 34 -21.845 -7.083 -24.290 1.00 0.00 H new ATOM 0 HA THR A 34 -24.436 -7.942 -25.401 1.00 0.00 H new ATOM 0 HB THR A 34 -24.234 -5.411 -26.265 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.265 -4.142 -24.549 1.00 0.00 H new ATOM 0 HG21 THR A 34 -25.574 -4.713 -24.314 1.00 0.00 H new ATOM 0 HG22 THR A 34 -26.077 -6.309 -24.921 1.00 0.00 H new ATOM 0 HG23 THR A 34 -25.079 -6.190 -23.452 1.00 0.00 H new ATOM 557 N PRO A 35 -23.772 -7.507 -27.886 1.00 0.00 N ATOM 558 CA PRO A 35 -23.313 -7.651 -29.270 1.00 0.00 C ATOM 559 C PRO A 35 -22.620 -6.394 -29.785 1.00 0.00 C ATOM 560 O PRO A 35 -21.783 -6.459 -30.685 1.00 0.00 O ATOM 561 CB PRO A 35 -24.606 -7.906 -30.048 1.00 0.00 C ATOM 562 CG PRO A 35 -25.676 -7.281 -29.220 1.00 0.00 C ATOM 563 CD PRO A 35 -25.240 -7.444 -27.790 1.00 0.00 C ATOM 0 HA PRO A 35 -22.574 -8.445 -29.373 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -24.564 -7.461 -31.042 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -24.783 -8.973 -30.183 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -25.800 -6.228 -29.473 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -26.637 -7.766 -29.393 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -25.567 -6.607 -27.172 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -25.653 -8.349 -27.345 1.00 0.00 H new ATOM 571 N ALA A 36 -22.975 -5.250 -29.209 1.00 0.00 N ATOM 572 CA ALA A 36 -22.385 -3.978 -29.608 1.00 0.00 C ATOM 573 C ALA A 36 -20.879 -3.973 -29.370 1.00 0.00 C ATOM 574 O ALA A 36 -20.140 -3.237 -30.025 1.00 0.00 O ATOM 575 CB ALA A 36 -23.045 -2.832 -28.856 1.00 0.00 C ATOM 0 H ALA A 36 -23.668 -5.178 -28.464 1.00 0.00 H new ATOM 0 HA ALA A 36 -22.557 -3.844 -30.676 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.595 -1.888 -29.163 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -24.111 -2.816 -29.081 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.902 -2.970 -27.784 1.00 0.00 H new ATOM 581 N ASP A 37 -20.430 -4.796 -28.429 1.00 0.00 N ATOM 582 CA ASP A 37 -19.011 -4.886 -28.105 1.00 0.00 C ATOM 583 C ASP A 37 -18.189 -5.209 -29.349 1.00 0.00 C ATOM 584 O ASP A 37 -17.007 -4.874 -29.429 1.00 0.00 O ATOM 585 CB ASP A 37 -18.778 -5.952 -27.033 1.00 0.00 C ATOM 586 CG ASP A 37 -17.356 -5.943 -26.508 1.00 0.00 C ATOM 587 OD1 ASP A 37 -16.919 -4.890 -25.995 1.00 0.00 O ATOM 588 OD2 ASP A 37 -16.680 -6.988 -26.608 1.00 0.00 O ATOM 0 H ASP A 37 -21.028 -5.411 -27.877 1.00 0.00 H new ATOM 0 HA ASP A 37 -18.689 -3.918 -27.720 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -19.469 -5.788 -26.206 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.003 -6.935 -27.447 1.00 0.00 H new ATOM 593 N HIS A 38 -18.823 -5.864 -30.317 1.00 0.00 N ATOM 594 CA HIS A 38 -18.150 -6.233 -31.558 1.00 0.00 C ATOM 595 C HIS A 38 -17.468 -5.022 -32.187 1.00 0.00 C ATOM 596 O HIS A 38 -16.447 -5.153 -32.862 1.00 0.00 O ATOM 597 CB HIS A 38 -19.148 -6.840 -32.543 1.00 0.00 C ATOM 598 CG HIS A 38 -18.540 -7.852 -33.465 1.00 0.00 C ATOM 599 ND1 HIS A 38 -18.133 -7.553 -34.748 1.00 0.00 N ATOM 600 CD2 HIS A 38 -18.269 -9.166 -33.283 1.00 0.00 C ATOM 601 CE1 HIS A 38 -17.639 -8.639 -35.316 1.00 0.00 C ATOM 602 NE2 HIS A 38 -17.710 -9.632 -34.447 1.00 0.00 N ATOM 0 H HIS A 38 -19.801 -6.150 -30.266 1.00 0.00 H new ATOM 0 HA HIS A 38 -17.387 -6.975 -31.322 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -19.957 -7.310 -31.984 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -19.592 -6.041 -33.136 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.458 -9.741 -32.388 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -17.245 -8.704 -36.319 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.400 -10.589 -34.614 1.00 0.00 H new ATOM 610 N ALA A 39 -18.039 -3.843 -31.961 1.00 0.00 N ATOM 611 CA ALA A 39 -17.485 -2.609 -32.505 1.00 0.00 C ATOM 612 C ALA A 39 -16.407 -2.041 -31.588 1.00 0.00 C ATOM 613 O ALA A 39 -15.441 -1.436 -32.052 1.00 0.00 O ATOM 614 CB ALA A 39 -18.590 -1.586 -32.721 1.00 0.00 C ATOM 0 H ALA A 39 -18.885 -3.717 -31.405 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.024 -2.838 -33.466 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -18.163 -0.669 -33.127 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.324 -1.986 -33.421 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.076 -1.369 -31.770 1.00 0.00 H new ATOM 620 N ALA A 40 -16.580 -2.238 -30.285 1.00 0.00 N ATOM 621 CA ALA A 40 -15.621 -1.746 -29.304 1.00 0.00 C ATOM 622 C ALA A 40 -14.247 -2.370 -29.519 1.00 0.00 C ATOM 623 O ALA A 40 -13.226 -1.787 -29.153 1.00 0.00 O ATOM 624 CB ALA A 40 -16.117 -2.028 -27.894 1.00 0.00 C ATOM 0 H ALA A 40 -17.376 -2.735 -29.885 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.525 -0.668 -29.434 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.391 -1.655 -27.172 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.073 -1.529 -27.738 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.243 -3.102 -27.761 1.00 0.00 H new ATOM 630 N ILE A 41 -14.228 -3.559 -30.113 1.00 0.00 N ATOM 631 CA ILE A 41 -12.979 -4.261 -30.376 1.00 0.00 C ATOM 632 C ILE A 41 -12.025 -3.399 -31.197 1.00 0.00 C ATOM 633 O ILE A 41 -10.809 -3.577 -31.142 1.00 0.00 O ATOM 634 CB ILE A 41 -13.224 -5.587 -31.121 1.00 0.00 C ATOM 635 CG1 ILE A 41 -14.153 -6.490 -30.307 1.00 0.00 C ATOM 636 CG2 ILE A 41 -11.904 -6.289 -31.401 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.638 -7.703 -31.070 1.00 0.00 C ATOM 0 H ILE A 41 -15.064 -4.056 -30.421 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.528 -4.476 -29.407 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.705 -5.368 -32.074 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -13.630 -6.821 -29.409 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -15.015 -5.909 -29.978 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.094 -7.224 -31.928 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -11.274 -5.647 -32.017 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -11.397 -6.499 -30.459 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -15.292 -8.297 -30.431 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.189 -7.381 -31.953 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.783 -8.306 -31.376 1.00 0.00 H new ATOM 649 N GLU A 42 -12.587 -2.463 -31.956 1.00 0.00 N ATOM 650 CA GLU A 42 -11.786 -1.573 -32.787 1.00 0.00 C ATOM 651 C GLU A 42 -10.695 -0.895 -31.964 1.00 0.00 C ATOM 652 O GLU A 42 -9.597 -0.639 -32.459 1.00 0.00 O ATOM 653 CB GLU A 42 -12.675 -0.515 -33.444 1.00 0.00 C ATOM 654 CG GLU A 42 -13.233 0.504 -32.465 1.00 0.00 C ATOM 655 CD GLU A 42 -14.479 1.194 -32.987 1.00 0.00 C ATOM 656 OE1 GLU A 42 -14.563 1.421 -34.212 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.370 1.506 -32.170 1.00 0.00 O ATOM 0 H GLU A 42 -13.593 -2.302 -32.012 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.312 -2.173 -33.564 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.100 0.006 -34.210 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.503 -1.012 -33.950 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.465 0.008 -31.523 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.470 1.253 -32.252 1.00 0.00 H new ATOM 664 N ALA A 43 -11.005 -0.607 -30.704 1.00 0.00 N ATOM 665 CA ALA A 43 -10.051 0.039 -29.811 1.00 0.00 C ATOM 666 C ALA A 43 -9.106 -0.981 -29.186 1.00 0.00 C ATOM 667 O ALA A 43 -7.988 -0.647 -28.792 1.00 0.00 O ATOM 668 CB ALA A 43 -10.785 0.815 -28.727 1.00 0.00 C ATOM 0 H ALA A 43 -11.909 -0.811 -30.279 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.454 0.735 -30.400 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.060 1.292 -28.067 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.414 1.577 -29.187 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.407 0.132 -28.149 1.00 0.00 H new ATOM 674 N LEU A 44 -9.562 -2.226 -29.097 1.00 0.00 N ATOM 675 CA LEU A 44 -8.757 -3.296 -28.518 1.00 0.00 C ATOM 676 C LEU A 44 -7.533 -3.585 -29.382 1.00 0.00 C ATOM 677 O LEU A 44 -6.520 -4.084 -28.893 1.00 0.00 O ATOM 678 CB LEU A 44 -9.596 -4.565 -28.362 1.00 0.00 C ATOM 679 CG LEU A 44 -10.792 -4.466 -27.414 1.00 0.00 C ATOM 680 CD1 LEU A 44 -11.511 -5.803 -27.321 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.344 -4.002 -26.036 1.00 0.00 C ATOM 0 H LEU A 44 -10.485 -2.519 -29.418 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.417 -2.970 -27.535 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.961 -4.858 -29.346 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.945 -5.366 -28.012 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.488 -3.729 -27.814 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.359 -5.714 -26.642 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.866 -6.095 -28.309 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.823 -6.560 -26.945 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.208 -3.937 -25.375 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.627 -4.714 -25.627 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.875 -3.021 -26.117 1.00 0.00 H new ATOM 693 N ASP A 45 -7.635 -3.266 -30.668 1.00 0.00 N ATOM 694 CA ASP A 45 -6.535 -3.488 -31.600 1.00 0.00 C ATOM 695 C ASP A 45 -5.337 -2.613 -31.244 1.00 0.00 C ATOM 696 O ASP A 45 -4.200 -2.930 -31.593 1.00 0.00 O ATOM 697 CB ASP A 45 -6.987 -3.199 -33.032 1.00 0.00 C ATOM 698 CG ASP A 45 -5.874 -3.402 -34.042 1.00 0.00 C ATOM 699 OD1 ASP A 45 -5.293 -4.508 -34.070 1.00 0.00 O ATOM 700 OD2 ASP A 45 -5.585 -2.457 -34.804 1.00 0.00 O ATOM 0 H ASP A 45 -8.468 -2.853 -31.089 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.233 -4.533 -31.527 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.825 -3.849 -33.284 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.349 -2.173 -33.096 1.00 0.00 H new ATOM 705 N ARG A 46 -5.600 -1.511 -30.550 1.00 0.00 N ATOM 706 CA ARG A 46 -4.544 -0.589 -30.150 1.00 0.00 C ATOM 707 C ARG A 46 -3.674 -1.202 -29.056 1.00 0.00 C ATOM 708 O ARG A 46 -2.473 -1.401 -29.242 1.00 0.00 O ATOM 709 CB ARG A 46 -5.146 0.729 -29.659 1.00 0.00 C ATOM 710 CG ARG A 46 -5.557 1.666 -30.783 1.00 0.00 C ATOM 711 CD ARG A 46 -6.760 1.130 -31.543 1.00 0.00 C ATOM 712 NE ARG A 46 -7.307 2.119 -32.468 1.00 0.00 N ATOM 713 CZ ARG A 46 -8.052 3.151 -32.085 1.00 0.00 C ATOM 714 NH1 ARG A 46 -8.336 3.328 -30.803 1.00 0.00 N ATOM 715 NH2 ARG A 46 -8.514 4.008 -32.987 1.00 0.00 N ATOM 0 H ARG A 46 -6.536 -1.235 -30.253 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.919 -0.392 -31.021 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.017 0.513 -29.041 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.421 1.235 -29.022 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.793 2.648 -30.372 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.722 1.800 -31.470 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.471 0.237 -32.097 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.532 0.830 -30.835 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.106 2.012 -33.462 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.983 2.671 -30.107 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.908 4.121 -30.512 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.297 3.875 -33.975 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.086 4.800 -32.692 1.00 0.00 H new ATOM 729 N LEU A 47 -4.287 -1.497 -27.915 1.00 0.00 N ATOM 730 CA LEU A 47 -3.569 -2.086 -26.790 1.00 0.00 C ATOM 731 C LEU A 47 -2.866 -3.373 -27.207 1.00 0.00 C ATOM 732 O LEU A 47 -1.771 -3.677 -26.733 1.00 0.00 O ATOM 733 CB LEU A 47 -4.533 -2.369 -25.636 1.00 0.00 C ATOM 734 CG LEU A 47 -5.398 -3.622 -25.776 1.00 0.00 C ATOM 735 CD1 LEU A 47 -4.693 -4.827 -25.174 1.00 0.00 C ATOM 736 CD2 LEU A 47 -6.753 -3.410 -25.117 1.00 0.00 C ATOM 0 H LEU A 47 -5.280 -1.338 -27.744 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.815 -1.372 -26.459 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.953 -2.453 -24.717 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.192 -1.508 -25.520 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.558 -3.814 -26.837 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.324 -5.709 -25.283 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.747 -4.991 -25.691 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.502 -4.646 -24.116 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.356 -4.312 -25.226 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.613 -3.193 -24.058 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -7.263 -2.573 -25.594 1.00 0.00 H new ATOM 748 N LEU A 48 -3.501 -4.126 -28.099 1.00 0.00 N ATOM 749 CA LEU A 48 -2.936 -5.381 -28.583 1.00 0.00 C ATOM 750 C LEU A 48 -1.730 -5.124 -29.481 1.00 0.00 C ATOM 751 O LEU A 48 -0.688 -5.765 -29.338 1.00 0.00 O ATOM 752 CB LEU A 48 -3.994 -6.179 -29.346 1.00 0.00 C ATOM 753 CG LEU A 48 -5.203 -6.641 -28.532 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.384 -6.926 -29.446 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.852 -7.873 -27.710 1.00 0.00 C ATOM 0 H LEU A 48 -4.408 -3.889 -28.502 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.607 -5.960 -27.720 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.352 -5.569 -30.176 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.515 -7.058 -29.779 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.485 -5.840 -27.848 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.235 -7.254 -28.849 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.650 -6.020 -29.990 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.115 -7.709 -30.155 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.724 -8.188 -27.137 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.545 -8.679 -28.376 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.036 -7.635 -27.028 1.00 0.00 H new ATOM 767 N LEU A 49 -1.877 -4.181 -30.406 1.00 0.00 N ATOM 768 CA LEU A 49 -0.800 -3.838 -31.327 1.00 0.00 C ATOM 769 C LEU A 49 0.426 -3.339 -30.568 1.00 0.00 C ATOM 770 O LEU A 49 1.562 -3.612 -30.956 1.00 0.00 O ATOM 771 CB LEU A 49 -1.270 -2.771 -32.317 1.00 0.00 C ATOM 772 CG LEU A 49 -0.210 -2.236 -33.281 1.00 0.00 C ATOM 773 CD1 LEU A 49 -0.077 -3.149 -34.490 1.00 0.00 C ATOM 774 CD2 LEU A 49 -0.551 -0.819 -33.716 1.00 0.00 C ATOM 0 H LEU A 49 -2.732 -3.641 -30.537 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.524 -4.738 -31.876 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.090 -3.185 -32.904 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.674 -1.932 -31.751 1.00 0.00 H new ATOM 0 HG LEU A 49 0.748 -2.215 -32.761 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.682 -2.752 -35.164 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.215 -4.147 -34.162 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.033 -3.204 -35.011 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.214 -0.455 -34.402 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.519 -0.815 -34.217 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.593 -0.170 -32.841 1.00 0.00 H new ATOM 786 N ASP A 50 0.188 -2.608 -29.485 1.00 0.00 N ATOM 787 CA ASP A 50 1.273 -2.073 -28.670 1.00 0.00 C ATOM 788 C ASP A 50 1.960 -3.185 -27.883 1.00 0.00 C ATOM 789 O ASP A 50 3.165 -3.397 -28.013 1.00 0.00 O ATOM 790 CB ASP A 50 0.741 -1.007 -27.711 1.00 0.00 C ATOM 791 CG ASP A 50 0.499 0.322 -28.400 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.466 0.416 -29.186 1.00 0.00 O ATOM 793 OD2 ASP A 50 1.276 1.269 -28.153 1.00 0.00 O ATOM 0 H ASP A 50 -0.746 -2.372 -29.151 1.00 0.00 H new ATOM 0 HA ASP A 50 2.005 -1.618 -29.337 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.190 -1.356 -27.264 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.452 -0.867 -26.897 1.00 0.00 H new ATOM 798 N VAL A 51 1.185 -3.891 -27.066 1.00 0.00 N ATOM 799 CA VAL A 51 1.718 -4.981 -26.258 1.00 0.00 C ATOM 800 C VAL A 51 2.373 -6.044 -27.133 1.00 0.00 C ATOM 801 O VAL A 51 3.275 -6.756 -26.691 1.00 0.00 O ATOM 802 CB VAL A 51 0.617 -5.640 -25.407 1.00 0.00 C ATOM 803 CG1 VAL A 51 -0.094 -4.599 -24.555 1.00 0.00 C ATOM 804 CG2 VAL A 51 -0.372 -6.379 -26.295 1.00 0.00 C ATOM 0 H VAL A 51 0.185 -3.727 -26.946 1.00 0.00 H new ATOM 0 HA VAL A 51 2.467 -4.547 -25.596 1.00 0.00 H new ATOM 0 HB VAL A 51 1.083 -6.365 -24.740 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.869 -5.083 -23.960 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.625 -4.119 -23.892 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.549 -3.849 -25.202 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.143 -6.839 -25.677 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.834 -5.676 -26.988 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.151 -7.153 -26.857 1.00 0.00 H new ATOM 814 N ARG A 52 1.913 -6.145 -28.376 1.00 0.00 N ATOM 815 CA ARG A 52 2.454 -7.122 -29.313 1.00 0.00 C ATOM 816 C ARG A 52 3.692 -6.573 -30.017 1.00 0.00 C ATOM 817 O ARG A 52 4.620 -7.317 -30.330 1.00 0.00 O ATOM 818 CB ARG A 52 1.395 -7.508 -30.347 1.00 0.00 C ATOM 819 CG ARG A 52 1.768 -8.728 -31.174 1.00 0.00 C ATOM 820 CD ARG A 52 1.666 -10.007 -30.358 1.00 0.00 C ATOM 821 NE ARG A 52 0.281 -10.338 -30.031 1.00 0.00 N ATOM 822 CZ ARG A 52 -0.063 -11.247 -29.125 1.00 0.00 C ATOM 823 NH1 ARG A 52 0.872 -11.912 -28.460 1.00 0.00 N ATOM 824 NH2 ARG A 52 -1.344 -11.493 -28.883 1.00 0.00 N ATOM 0 H ARG A 52 1.167 -5.563 -28.757 1.00 0.00 H new ATOM 0 HA ARG A 52 2.742 -8.009 -28.749 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.452 -7.701 -29.835 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.227 -6.664 -31.016 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.111 -8.795 -32.041 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.784 -8.616 -31.551 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.113 -10.830 -30.916 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.240 -9.897 -29.438 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.462 -9.844 -30.525 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.858 -11.726 -28.643 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.605 -12.609 -27.765 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.066 -10.984 -29.393 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.607 -12.191 -28.187 1.00 0.00 H new ATOM 838 N ALA A 53 3.696 -5.267 -30.262 1.00 0.00 N ATOM 839 CA ALA A 53 4.819 -4.619 -30.927 1.00 0.00 C ATOM 840 C ALA A 53 5.817 -4.072 -29.912 1.00 0.00 C ATOM 841 O ALA A 53 6.648 -3.225 -30.238 1.00 0.00 O ATOM 842 CB ALA A 53 4.323 -3.503 -31.835 1.00 0.00 C ATOM 0 H ALA A 53 2.934 -4.637 -30.010 1.00 0.00 H new ATOM 0 HA ALA A 53 5.330 -5.367 -31.534 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.173 -3.028 -32.325 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.654 -3.918 -32.589 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.786 -2.763 -31.242 1.00 0.00 H new ATOM 848 N ARG A 54 5.728 -4.561 -28.679 1.00 0.00 N ATOM 849 CA ARG A 54 6.623 -4.120 -27.616 1.00 0.00 C ATOM 850 C ARG A 54 6.638 -2.597 -27.515 1.00 0.00 C ATOM 851 O ARG A 54 7.699 -1.974 -27.538 1.00 0.00 O ATOM 852 CB ARG A 54 8.040 -4.639 -27.863 1.00 0.00 C ATOM 853 CG ARG A 54 8.193 -6.132 -27.619 1.00 0.00 C ATOM 854 CD ARG A 54 9.473 -6.670 -28.240 1.00 0.00 C ATOM 855 NE ARG A 54 9.749 -8.041 -27.823 1.00 0.00 N ATOM 856 CZ ARG A 54 10.902 -8.661 -28.050 1.00 0.00 C ATOM 857 NH1 ARG A 54 11.881 -8.033 -28.688 1.00 0.00 N ATOM 858 NH2 ARG A 54 11.078 -9.910 -27.639 1.00 0.00 N ATOM 0 H ARG A 54 5.045 -5.262 -28.392 1.00 0.00 H new ATOM 0 HA ARG A 54 6.254 -4.527 -26.674 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.325 -4.416 -28.891 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.733 -4.101 -27.216 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.197 -6.328 -26.547 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.335 -6.660 -28.036 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.393 -6.631 -29.326 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.309 -6.030 -27.958 1.00 0.00 H new ATOM 0 HE ARG A 54 9.016 -8.551 -27.330 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.749 -7.073 -29.005 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.765 -8.511 -28.861 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.328 -10.396 -27.148 1.00 0.00 H new ATOM 0 HH22 ARG A 54 11.964 -10.384 -27.814 1.00 0.00 H new ATOM 872 N ARG A 55 5.453 -2.005 -27.404 1.00 0.00 N ATOM 873 CA ARG A 55 5.330 -0.556 -27.302 1.00 0.00 C ATOM 874 C ARG A 55 4.546 -0.164 -26.053 1.00 0.00 C ATOM 875 O ARG A 55 3.926 0.899 -26.005 1.00 0.00 O ATOM 876 CB ARG A 55 4.643 0.008 -28.547 1.00 0.00 C ATOM 877 CG ARG A 55 5.575 0.166 -29.738 1.00 0.00 C ATOM 878 CD ARG A 55 5.036 1.180 -30.735 1.00 0.00 C ATOM 879 NE ARG A 55 6.085 1.696 -31.611 1.00 0.00 N ATOM 880 CZ ARG A 55 5.924 2.743 -32.413 1.00 0.00 C ATOM 881 NH1 ARG A 55 4.763 3.382 -32.448 1.00 0.00 N ATOM 882 NH2 ARG A 55 6.925 3.152 -33.180 1.00 0.00 N ATOM 0 H ARG A 55 4.565 -2.506 -27.382 1.00 0.00 H new ATOM 0 HA ARG A 55 6.333 -0.135 -27.227 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.819 -0.649 -28.826 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.209 0.978 -28.304 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.559 0.482 -29.392 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.704 -0.798 -30.231 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.256 0.716 -31.338 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.573 2.007 -30.197 1.00 0.00 H new ATOM 0 HE ARG A 55 6.991 1.227 -31.607 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.991 3.070 -31.859 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.642 4.186 -33.064 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.820 2.663 -33.155 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.800 3.956 -33.795 1.00 0.00 H new ATOM 896 N VAL A 56 4.577 -1.029 -25.045 1.00 0.00 N ATOM 897 CA VAL A 56 3.870 -0.773 -23.796 1.00 0.00 C ATOM 898 C VAL A 56 4.834 -0.339 -22.697 1.00 0.00 C ATOM 899 O VAL A 56 6.005 -0.719 -22.698 1.00 0.00 O ATOM 900 CB VAL A 56 3.098 -2.019 -23.322 1.00 0.00 C ATOM 901 CG1 VAL A 56 4.063 -3.125 -22.923 1.00 0.00 C ATOM 902 CG2 VAL A 56 2.172 -1.665 -22.169 1.00 0.00 C ATOM 0 H VAL A 56 5.084 -1.914 -25.069 1.00 0.00 H new ATOM 0 HA VAL A 56 3.162 0.032 -23.993 1.00 0.00 H new ATOM 0 HB VAL A 56 2.488 -2.384 -24.148 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.500 -3.997 -22.591 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.680 -3.396 -23.780 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.702 -2.775 -22.112 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.635 -2.557 -21.847 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.759 -1.275 -21.338 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.458 -0.909 -22.495 1.00 0.00 H new ATOM 912 N ASP A 57 4.333 0.460 -21.761 1.00 0.00 N ATOM 913 CA ASP A 57 5.150 0.946 -20.654 1.00 0.00 C ATOM 914 C ASP A 57 4.483 0.647 -19.315 1.00 0.00 C ATOM 915 O ASP A 57 3.397 0.070 -19.268 1.00 0.00 O ATOM 916 CB ASP A 57 5.392 2.450 -20.794 1.00 0.00 C ATOM 917 CG ASP A 57 4.161 3.193 -21.272 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.043 2.814 -20.864 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.315 4.154 -22.055 1.00 0.00 O ATOM 0 H ASP A 57 3.366 0.785 -21.746 1.00 0.00 H new ATOM 0 HA ASP A 57 6.108 0.427 -20.685 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.707 2.855 -19.832 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.210 2.620 -21.494 1.00 0.00 H new ATOM 924 N GLN A 58 5.141 1.044 -18.231 1.00 0.00 N ATOM 925 CA GLN A 58 4.612 0.817 -16.891 1.00 0.00 C ATOM 926 C GLN A 58 3.837 2.035 -16.398 1.00 0.00 C ATOM 927 O GLN A 58 4.166 3.172 -16.736 1.00 0.00 O ATOM 928 CB GLN A 58 5.748 0.494 -15.919 1.00 0.00 C ATOM 929 CG GLN A 58 6.743 1.630 -15.747 1.00 0.00 C ATOM 930 CD GLN A 58 6.267 2.679 -14.762 1.00 0.00 C ATOM 931 OE1 GLN A 58 5.931 2.246 -13.552 1.00 0.00 O flip ATOM 932 NE2 GLN A 58 6.201 3.865 -15.084 1.00 0.00 N flip ATOM 0 H GLN A 58 6.041 1.524 -18.254 1.00 0.00 H new ATOM 0 HA GLN A 58 3.930 -0.032 -16.937 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.323 0.244 -14.947 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.277 -0.391 -16.273 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.696 1.225 -15.408 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.923 2.100 -16.714 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.469 4.154 -16.025 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.878 4.559 -14.410 1.00 0.00 H new ATOM 941 N PHE A 59 2.805 1.789 -15.598 1.00 0.00 N ATOM 942 CA PHE A 59 1.981 2.865 -15.060 1.00 0.00 C ATOM 943 C PHE A 59 1.224 2.402 -13.819 1.00 0.00 C ATOM 944 O PHE A 59 0.914 1.219 -13.674 1.00 0.00 O ATOM 945 CB PHE A 59 0.994 3.359 -16.119 1.00 0.00 C ATOM 946 CG PHE A 59 1.539 4.466 -16.976 1.00 0.00 C ATOM 947 CD1 PHE A 59 1.961 5.657 -16.408 1.00 0.00 C ATOM 948 CD2 PHE A 59 1.629 4.315 -18.351 1.00 0.00 C ATOM 949 CE1 PHE A 59 2.463 6.677 -17.194 1.00 0.00 C ATOM 950 CE2 PHE A 59 2.130 5.331 -19.142 1.00 0.00 C ATOM 951 CZ PHE A 59 2.547 6.514 -18.563 1.00 0.00 C ATOM 0 H PHE A 59 2.519 0.854 -15.308 1.00 0.00 H new ATOM 0 HA PHE A 59 2.640 3.686 -14.777 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.709 2.523 -16.757 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.087 3.706 -15.625 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.897 5.790 -15.338 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.304 3.393 -18.809 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.789 7.600 -16.738 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.196 5.200 -20.212 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.938 7.310 -19.180 1.00 0.00 H new ATOM 961 N GLN A 60 0.929 3.342 -12.927 1.00 0.00 N ATOM 962 CA GLN A 60 0.209 3.030 -11.698 1.00 0.00 C ATOM 963 C GLN A 60 -1.266 3.400 -11.822 1.00 0.00 C ATOM 964 O GLN A 60 -1.611 4.425 -12.412 1.00 0.00 O ATOM 965 CB GLN A 60 0.834 3.769 -10.514 1.00 0.00 C ATOM 966 CG GLN A 60 0.592 5.270 -10.536 1.00 0.00 C ATOM 967 CD GLN A 60 -0.719 5.659 -9.882 1.00 0.00 C ATOM 968 OE1 GLN A 60 -1.565 6.308 -10.498 1.00 0.00 O ATOM 969 NE2 GLN A 60 -0.895 5.263 -8.627 1.00 0.00 N ATOM 0 H GLN A 60 1.177 4.326 -13.032 1.00 0.00 H new ATOM 0 HA GLN A 60 0.282 1.956 -11.527 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.433 3.358 -9.588 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.908 3.583 -10.506 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.412 5.774 -10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.597 5.620 -11.568 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.167 4.727 -8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.758 5.495 -8.135 1.00 0.00 H new ATOM 978 N ILE A 61 -2.130 2.561 -11.264 1.00 0.00 N ATOM 979 CA ILE A 61 -3.567 2.801 -11.311 1.00 0.00 C ATOM 980 C ILE A 61 -4.013 3.701 -10.164 1.00 0.00 C ATOM 981 O ILE A 61 -4.630 4.742 -10.382 1.00 0.00 O ATOM 982 CB ILE A 61 -4.361 1.482 -11.252 1.00 0.00 C ATOM 983 CG1 ILE A 61 -3.959 0.568 -12.412 1.00 0.00 C ATOM 984 CG2 ILE A 61 -5.856 1.761 -11.284 1.00 0.00 C ATOM 985 CD1 ILE A 61 -4.304 1.131 -13.773 1.00 0.00 C ATOM 0 H ILE A 61 -1.861 1.708 -10.774 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.772 3.297 -12.260 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.126 0.975 -10.316 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.885 0.386 -12.365 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.452 -0.397 -12.291 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.403 0.819 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.129 2.378 -10.428 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.109 2.286 -12.205 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.990 0.430 -14.547 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.381 1.287 -13.840 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.790 2.082 -13.914 1.00 0.00 H new ATOM 997 N ASN A 62 -3.694 3.292 -8.940 1.00 0.00 N ATOM 998 CA ASN A 62 -4.060 4.062 -7.757 1.00 0.00 C ATOM 999 C ASN A 62 -3.407 3.482 -6.507 1.00 0.00 C ATOM 1000 O ASN A 62 -2.712 2.468 -6.570 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.581 4.084 -7.588 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.069 5.350 -6.911 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -6.101 5.438 -5.684 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -6.452 6.339 -7.711 1.00 0.00 N ATOM 0 H ASN A 62 -3.183 2.432 -8.742 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.701 5.082 -7.893 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.054 3.993 -8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.891 3.219 -7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.790 7.215 -7.313 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.408 6.222 -8.723 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.636 4.133 -5.370 1.00 0.00 N ATOM 1012 CA ALA A 63 -3.072 3.680 -4.105 1.00 0.00 C ATOM 1013 C ALA A 63 -4.053 2.784 -3.356 1.00 0.00 C ATOM 1014 O ALA A 63 -3.651 1.949 -2.546 1.00 0.00 O ATOM 1015 CB ALA A 63 -2.681 4.873 -3.245 1.00 0.00 C ATOM 0 H ALA A 63 -4.208 4.975 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.179 3.094 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.261 4.520 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.939 5.473 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.563 5.481 -3.044 1.00 0.00 H new ATOM 1021 N SER A 64 -5.341 2.965 -3.631 1.00 0.00 N ATOM 1022 CA SER A 64 -6.379 2.175 -2.979 1.00 0.00 C ATOM 1023 C SER A 64 -6.895 1.083 -3.911 1.00 0.00 C ATOM 1024 O SER A 64 -8.079 0.748 -3.896 1.00 0.00 O ATOM 1025 CB SER A 64 -7.536 3.077 -2.542 1.00 0.00 C ATOM 1026 OG SER A 64 -8.226 3.601 -3.663 1.00 0.00 O ATOM 0 H SER A 64 -5.690 3.651 -4.300 1.00 0.00 H new ATOM 0 HA SER A 64 -5.943 1.702 -2.099 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.227 2.510 -1.918 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.153 3.895 -1.932 1.00 0.00 H new ATOM 0 HG SER A 64 -8.961 4.172 -3.357 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.997 0.531 -4.720 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.360 -0.525 -5.657 1.00 0.00 C ATOM 1034 C ALA A 65 -5.121 -1.243 -6.182 1.00 0.00 C ATOM 1035 O ALA A 65 -4.007 -0.728 -6.088 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.169 0.048 -6.811 1.00 0.00 C ATOM 0 H ALA A 65 -5.013 0.798 -4.745 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.972 -1.254 -5.125 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.433 -0.752 -7.503 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.078 0.508 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.576 0.799 -7.334 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.323 -2.434 -6.735 1.00 0.00 N ATOM 1043 CA ALA A 66 -4.222 -3.222 -7.276 1.00 0.00 C ATOM 1044 C ALA A 66 -3.384 -2.398 -8.248 1.00 0.00 C ATOM 1045 O ALA A 66 -3.918 -1.765 -9.158 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.754 -4.471 -7.962 1.00 0.00 C ATOM 0 H ALA A 66 -6.239 -2.875 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.580 -3.522 -6.447 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.921 -5.050 -8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.304 -5.076 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.419 -4.184 -8.776 1.00 0.00 H new ATOM 1052 N GLN A 67 -2.070 -2.412 -8.048 1.00 0.00 N ATOM 1053 CA GLN A 67 -1.160 -1.664 -8.907 1.00 0.00 C ATOM 1054 C GLN A 67 -0.337 -2.607 -9.779 1.00 0.00 C ATOM 1055 O GLN A 67 -0.186 -3.787 -9.463 1.00 0.00 O ATOM 1056 CB GLN A 67 -0.231 -0.789 -8.063 1.00 0.00 C ATOM 1057 CG GLN A 67 0.481 0.290 -8.863 1.00 0.00 C ATOM 1058 CD GLN A 67 1.357 1.175 -7.998 1.00 0.00 C ATOM 1059 OE1 GLN A 67 1.188 1.234 -6.779 1.00 0.00 O ATOM 1060 NE2 GLN A 67 2.299 1.870 -8.624 1.00 0.00 N ATOM 0 H GLN A 67 -1.612 -2.932 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.757 -1.025 -9.557 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.811 -0.318 -7.269 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.513 -1.423 -7.581 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.093 -0.179 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.259 0.906 -9.374 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.404 1.791 -9.636 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.918 2.483 -8.093 1.00 0.00 H new ATOM 1069 N ILE A 68 0.193 -2.078 -10.877 1.00 0.00 N ATOM 1070 CA ILE A 68 1.001 -2.873 -11.794 1.00 0.00 C ATOM 1071 C ILE A 68 2.176 -2.064 -12.333 1.00 0.00 C ATOM 1072 O ILE A 68 2.055 -0.863 -12.578 1.00 0.00 O ATOM 1073 CB ILE A 68 0.164 -3.392 -12.977 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -0.996 -4.253 -12.470 1.00 0.00 C ATOM 1075 CG2 ILE A 68 1.038 -4.185 -13.937 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.227 -3.454 -12.106 1.00 0.00 C ATOM 0 H ILE A 68 0.077 -1.103 -11.153 1.00 0.00 H new ATOM 0 HA ILE A 68 1.378 -3.724 -11.226 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.249 -2.538 -13.513 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.259 -4.982 -13.237 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.666 -4.815 -11.596 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.432 -4.545 -14.768 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.833 -3.545 -14.319 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.476 -5.034 -13.413 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.008 -4.129 -11.755 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.980 -2.744 -11.317 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.582 -2.913 -12.983 1.00 0.00 H new ATOM 1088 N ILE A 69 3.311 -2.730 -12.518 1.00 0.00 N ATOM 1089 CA ILE A 69 4.507 -2.074 -13.032 1.00 0.00 C ATOM 1090 C ILE A 69 5.268 -2.987 -13.986 1.00 0.00 C ATOM 1091 O ILE A 69 5.863 -3.981 -13.570 1.00 0.00 O ATOM 1092 CB ILE A 69 5.447 -1.644 -11.890 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.726 -0.688 -10.938 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.701 -0.993 -12.454 1.00 0.00 C ATOM 1095 CD1 ILE A 69 3.944 -1.392 -9.852 1.00 0.00 C ATOM 0 H ILE A 69 3.427 -3.724 -12.320 1.00 0.00 H new ATOM 0 HA ILE A 69 4.174 -1.187 -13.571 1.00 0.00 H new ATOM 0 HB ILE A 69 5.742 -2.531 -11.329 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.459 -0.027 -10.476 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.047 -0.059 -11.513 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.356 -0.694 -11.635 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.223 -1.703 -13.095 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.424 -0.114 -13.036 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.459 -0.652 -9.215 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.187 -2.032 -10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.621 -2.000 -9.252 1.00 0.00 H new ATOM 1107 N VAL A 70 5.246 -2.643 -15.270 1.00 0.00 N ATOM 1108 CA VAL A 70 5.936 -3.430 -16.285 1.00 0.00 C ATOM 1109 C VAL A 70 7.429 -3.520 -15.988 1.00 0.00 C ATOM 1110 O VAL A 70 8.052 -2.542 -15.572 1.00 0.00 O ATOM 1111 CB VAL A 70 5.738 -2.831 -17.690 1.00 0.00 C ATOM 1112 CG1 VAL A 70 6.487 -3.651 -18.730 1.00 0.00 C ATOM 1113 CG2 VAL A 70 4.258 -2.748 -18.029 1.00 0.00 C ATOM 0 H VAL A 70 4.757 -1.824 -15.632 1.00 0.00 H new ATOM 0 HA VAL A 70 5.502 -4.430 -16.260 1.00 0.00 H new ATOM 0 HB VAL A 70 6.146 -1.820 -17.697 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.336 -3.213 -19.717 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.551 -3.654 -18.494 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.112 -4.674 -18.726 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.136 -2.323 -19.025 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.823 -3.747 -18.005 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.753 -2.115 -17.300 1.00 0.00 H new ATOM 1123 N THR A 71 8.000 -4.700 -16.207 1.00 0.00 N ATOM 1124 CA THR A 71 9.420 -4.919 -15.962 1.00 0.00 C ATOM 1125 C THR A 71 10.209 -4.920 -17.267 1.00 0.00 C ATOM 1126 O THR A 71 10.617 -5.973 -17.757 1.00 0.00 O ATOM 1127 CB THR A 71 9.665 -6.251 -15.227 1.00 0.00 C ATOM 1128 OG1 THR A 71 8.736 -7.240 -15.684 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.525 -6.072 -13.723 1.00 0.00 C ATOM 0 H THR A 71 7.501 -5.519 -16.554 1.00 0.00 H new ATOM 0 HA THR A 71 9.762 -4.097 -15.333 1.00 0.00 H new ATOM 0 HB THR A 71 10.681 -6.580 -15.444 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.899 -8.084 -15.213 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.702 -7.025 -13.225 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.253 -5.340 -13.374 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.519 -5.723 -13.490 1.00 0.00 H new ATOM 1137 N ASP A 72 10.421 -3.733 -17.825 1.00 0.00 N ATOM 1138 CA ASP A 72 11.163 -3.596 -19.073 1.00 0.00 C ATOM 1139 C ASP A 72 12.515 -4.297 -18.981 1.00 0.00 C ATOM 1140 O ASP A 72 12.891 -5.062 -19.870 1.00 0.00 O ATOM 1141 CB ASP A 72 11.362 -2.119 -19.414 1.00 0.00 C ATOM 1142 CG ASP A 72 10.089 -1.463 -19.912 1.00 0.00 C ATOM 1143 OD1 ASP A 72 9.019 -2.100 -19.823 1.00 0.00 O ATOM 1144 OD2 ASP A 72 10.163 -0.312 -20.389 1.00 0.00 O ATOM 0 H ASP A 72 10.089 -2.852 -17.433 1.00 0.00 H new ATOM 0 HA ASP A 72 10.582 -4.068 -19.866 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.718 -1.590 -18.530 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.137 -2.026 -20.175 1.00 0.00 H new