USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 793 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 93 GLN : amide:sc= 0.0875 K(o=0.11,f=-3.4) USER MOD Set 1.2: A 97 GLN : amide:sc= 0.0269 K(o=0.11,f=-3.4!) USER MOD Single : A 1 MET CE :methyl 161:sc= 0 (180deg=-0.0854) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.00667 (180deg=-0.227) USER MOD Single : A 2 ASN : amide:sc= -0.697 K(o=-0.7,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= -0.666 K(o=-0.67,f=-0.1) USER MOD Single : A 12 GLN : amide:sc=-0.00348 K(o=-0.0035,f=-1.1) USER MOD Single : A 16 THR OG1 : rot 72:sc= 1.12 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot -49:sc= 0.394 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 40 THR OG1 : rot 154:sc= 0.878 USER MOD Single : A 42 THR OG1 : rot -43:sc= 1.26 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.489 K(o=-0.49,f=-2) USER MOD Single : A 54 GLN : amide:sc= -0.353 K(o=-0.35,f=-1.6) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.568 K(o=-0.57,f=0) USER MOD Single : A 64 THR OG1 : rot 2:sc= 0.216 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.83! C(o=-1.8!,f=-5.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot -90:sc= 0.25 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 1:sc= 1.26 USER MOD Single : A 96 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 98 GLN : amide:sc= -0.0527 K(o=-0.053,f=-2.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 62:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.240 -17.914 -16.570 1.00 1.00 N ATOM 2 CA MET A 1 0.923 -17.007 -15.620 1.00 1.00 C ATOM 3 C MET A 1 1.817 -17.750 -14.689 1.00 1.00 C ATOM 4 O MET A 1 1.571 -18.905 -14.340 1.00 1.00 O ATOM 5 CB MET A 1 -0.120 -16.165 -14.867 1.00 1.00 C ATOM 6 CG MET A 1 -0.943 -15.274 -15.798 1.00 1.00 C ATOM 7 SD MET A 1 -2.024 -14.091 -14.940 1.00 1.00 S ATOM 8 CE MET A 1 -2.533 -13.306 -16.496 1.00 1.00 C ATOM 0 H1 MET A 1 0.401 -17.583 -17.543 1.00 1.00 H new ATOM 0 H2 MET A 1 0.619 -18.877 -16.465 1.00 1.00 H new ATOM 0 H3 MET A 1 -0.781 -17.921 -16.371 1.00 1.00 H new ATOM 0 HA MET A 1 1.567 -16.334 -16.185 1.00 1.00 H new ATOM 0 HB2 MET A 1 -0.790 -16.828 -14.320 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.386 -15.543 -14.129 1.00 1.00 H new ATOM 0 HG2 MET A 1 -0.264 -14.722 -16.448 1.00 1.00 H new ATOM 0 HG3 MET A 1 -1.555 -15.907 -16.441 1.00 1.00 H new ATOM 0 HE1 MET A 1 -3.456 -12.749 -16.338 1.00 1.00 H new ATOM 0 HE2 MET A 1 -1.752 -12.625 -16.832 1.00 1.00 H new ATOM 0 HE3 MET A 1 -2.697 -14.072 -17.254 1.00 1.00 H new ATOM 17 N ASN A 2 2.939 -17.140 -14.267 1.00 1.00 N ATOM 18 CA ASN A 2 3.965 -17.819 -13.539 1.00 1.00 C ATOM 19 C ASN A 2 4.349 -17.106 -12.289 1.00 1.00 C ATOM 20 O ASN A 2 4.128 -15.908 -12.117 1.00 1.00 O ATOM 21 CB ASN A 2 5.223 -17.991 -14.410 1.00 1.00 C ATOM 22 CG ASN A 2 4.911 -18.869 -15.613 1.00 1.00 C ATOM 23 OD1 ASN A 2 4.955 -20.093 -15.505 1.00 1.00 O ATOM 24 ND2 ASN A 2 4.555 -18.265 -16.778 1.00 1.00 N ATOM 0 H ASN A 2 3.137 -16.154 -14.435 1.00 1.00 H new ATOM 0 HA ASN A 2 3.553 -18.791 -13.267 1.00 1.00 H new ATOM 0 HB2 ASN A 2 5.579 -17.017 -14.744 1.00 1.00 H new ATOM 0 HB3 ASN A 2 6.024 -18.439 -13.821 1.00 1.00 H new ATOM 0 HD21 ASN A 2 4.315 -18.830 -17.593 1.00 1.00 H new ATOM 0 HD22 ASN A 2 4.528 -17.247 -16.837 1.00 1.00 H new ATOM 31 N ASP A 3 4.989 -17.830 -11.353 1.00 1.00 N ATOM 32 CA ASP A 3 5.514 -17.313 -10.128 1.00 1.00 C ATOM 33 C ASP A 3 6.749 -16.503 -10.335 1.00 1.00 C ATOM 34 O ASP A 3 7.000 -15.530 -9.626 1.00 1.00 O ATOM 35 CB ASP A 3 5.664 -18.428 -9.080 1.00 1.00 C ATOM 36 CG ASP A 3 6.425 -19.657 -9.557 1.00 1.00 C ATOM 37 OD1 ASP A 3 6.013 -20.290 -10.565 1.00 1.00 O ATOM 38 OD2 ASP A 3 7.436 -20.034 -8.908 1.00 1.00 O ATOM 0 H ASP A 3 5.148 -18.832 -11.458 1.00 1.00 H new ATOM 0 HA ASP A 3 4.790 -16.608 -9.721 1.00 1.00 H new ATOM 0 HB2 ASP A 3 6.173 -18.020 -8.207 1.00 1.00 H new ATOM 0 HB3 ASP A 3 4.671 -18.737 -8.755 1.00 1.00 H new ATOM 43 N SER A 4 7.532 -16.816 -11.382 1.00 1.00 N ATOM 44 CA SER A 4 8.619 -16.030 -11.877 1.00 1.00 C ATOM 45 C SER A 4 8.209 -14.657 -12.291 1.00 1.00 C ATOM 46 O SER A 4 8.751 -13.654 -11.831 1.00 1.00 O ATOM 47 CB SER A 4 9.314 -16.730 -13.058 1.00 1.00 C ATOM 48 OG SER A 4 8.408 -17.074 -14.096 1.00 1.00 O ATOM 0 H SER A 4 7.397 -17.674 -11.917 1.00 1.00 H new ATOM 0 HA SER A 4 9.315 -15.930 -11.044 1.00 1.00 H new ATOM 0 HB2 SER A 4 10.089 -16.076 -13.458 1.00 1.00 H new ATOM 0 HB3 SER A 4 9.811 -17.632 -12.700 1.00 1.00 H new ATOM 0 HG SER A 4 8.896 -17.514 -14.823 1.00 1.00 H new ATOM 54 N GLU A 5 7.175 -14.573 -13.147 1.00 1.00 N ATOM 55 CA GLU A 5 6.502 -13.384 -13.562 1.00 1.00 C ATOM 56 C GLU A 5 6.005 -12.576 -12.411 1.00 1.00 C ATOM 57 O GLU A 5 6.374 -11.409 -12.286 1.00 1.00 O ATOM 58 CB GLU A 5 5.333 -13.718 -14.505 1.00 1.00 C ATOM 59 CG GLU A 5 5.763 -14.357 -15.828 1.00 1.00 C ATOM 60 CD GLU A 5 4.578 -14.901 -16.614 1.00 1.00 C ATOM 61 OE1 GLU A 5 3.425 -14.859 -16.110 1.00 1.00 O ATOM 62 OE2 GLU A 5 4.803 -15.401 -17.748 1.00 1.00 O ATOM 0 H GLU A 5 6.780 -15.406 -13.583 1.00 1.00 H new ATOM 0 HA GLU A 5 7.238 -12.782 -14.094 1.00 1.00 H new ATOM 0 HB2 GLU A 5 4.648 -14.394 -13.993 1.00 1.00 H new ATOM 0 HB3 GLU A 5 4.779 -12.804 -14.718 1.00 1.00 H new ATOM 0 HG2 GLU A 5 6.290 -13.618 -16.432 1.00 1.00 H new ATOM 0 HG3 GLU A 5 6.466 -15.165 -15.628 1.00 1.00 H new ATOM 69 N PHE A 6 5.220 -13.171 -11.496 1.00 1.00 N ATOM 70 CA PHE A 6 4.792 -12.572 -10.271 1.00 1.00 C ATOM 71 C PHE A 6 5.869 -11.930 -9.464 1.00 1.00 C ATOM 72 O PHE A 6 5.714 -10.790 -9.032 1.00 1.00 O ATOM 73 CB PHE A 6 4.051 -13.634 -9.441 1.00 1.00 C ATOM 74 CG PHE A 6 3.373 -13.039 -8.255 1.00 1.00 C ATOM 75 CD1 PHE A 6 2.351 -12.138 -8.437 1.00 1.00 C ATOM 76 CD2 PHE A 6 3.773 -13.357 -6.978 1.00 1.00 C ATOM 77 CE1 PHE A 6 1.726 -11.567 -7.353 1.00 1.00 C ATOM 78 CE2 PHE A 6 3.140 -12.802 -5.892 1.00 1.00 C ATOM 79 CZ PHE A 6 2.114 -11.903 -6.077 1.00 1.00 C ATOM 0 H PHE A 6 4.866 -14.120 -11.618 1.00 1.00 H new ATOM 0 HA PHE A 6 4.135 -11.746 -10.543 1.00 1.00 H new ATOM 0 HB2 PHE A 6 3.313 -14.135 -10.068 1.00 1.00 H new ATOM 0 HB3 PHE A 6 4.758 -14.395 -9.111 1.00 1.00 H new ATOM 0 HD1 PHE A 6 2.037 -11.877 -9.437 1.00 1.00 H new ATOM 0 HD2 PHE A 6 4.590 -14.047 -6.828 1.00 1.00 H new ATOM 0 HE1 PHE A 6 0.929 -10.854 -7.504 1.00 1.00 H new ATOM 0 HE2 PHE A 6 3.448 -13.071 -4.892 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.616 -11.464 -5.225 1.00 1.00 H new ATOM 89 N HIS A 7 7.015 -12.603 -9.258 1.00 1.00 N ATOM 90 CA HIS A 7 8.145 -12.054 -8.574 1.00 1.00 C ATOM 91 C HIS A 7 8.718 -10.847 -9.231 1.00 1.00 C ATOM 92 O HIS A 7 8.889 -9.802 -8.605 1.00 1.00 O ATOM 93 CB HIS A 7 9.287 -13.068 -8.398 1.00 1.00 C ATOM 94 CG HIS A 7 9.007 -14.186 -7.438 1.00 1.00 C ATOM 95 ND1 HIS A 7 10.031 -14.858 -6.826 1.00 1.00 N ATOM 96 CD2 HIS A 7 7.853 -14.765 -7.012 1.00 1.00 C ATOM 97 CE1 HIS A 7 9.526 -15.804 -6.057 1.00 1.00 C ATOM 98 NE2 HIS A 7 8.210 -15.770 -6.150 1.00 1.00 N ATOM 0 H HIS A 7 7.160 -13.561 -9.578 1.00 1.00 H new ATOM 0 HA HIS A 7 7.738 -11.773 -7.603 1.00 1.00 H new ATOM 0 HB2 HIS A 7 9.523 -13.497 -9.372 1.00 1.00 H new ATOM 0 HB3 HIS A 7 10.176 -12.535 -8.061 1.00 1.00 H new ATOM 0 HD2 HIS A 7 6.849 -14.487 -7.297 1.00 1.00 H new ATOM 0 HE1 HIS A 7 10.096 -16.493 -5.451 1.00 1.00 H new ATOM 0 HE2 HIS A 7 7.564 -16.390 -5.661 1.00 1.00 H new ATOM 106 N ARG A 8 9.017 -10.916 -10.541 1.00 1.00 N ATOM 107 CA ARG A 8 9.576 -9.839 -11.296 1.00 1.00 C ATOM 108 C ARG A 8 8.710 -8.629 -11.354 1.00 1.00 C ATOM 109 O ARG A 8 9.180 -7.499 -11.230 1.00 1.00 O ATOM 110 CB ARG A 8 9.876 -10.324 -12.724 1.00 1.00 C ATOM 111 CG ARG A 8 10.985 -11.377 -12.765 1.00 1.00 C ATOM 112 CD ARG A 8 11.075 -12.095 -14.113 1.00 1.00 C ATOM 113 NE ARG A 8 12.145 -13.125 -13.994 1.00 1.00 N ATOM 114 CZ ARG A 8 12.221 -14.209 -14.821 1.00 1.00 C ATOM 115 NH1 ARG A 8 11.327 -14.427 -15.827 1.00 1.00 N ATOM 116 NH2 ARG A 8 13.194 -15.152 -14.653 1.00 1.00 N ATOM 0 H ARG A 8 8.863 -11.758 -11.096 1.00 1.00 H new ATOM 0 HA ARG A 8 10.488 -9.538 -10.781 1.00 1.00 H new ATOM 0 HB2 ARG A 8 8.968 -10.740 -13.161 1.00 1.00 H new ATOM 0 HB3 ARG A 8 10.165 -9.473 -13.340 1.00 1.00 H new ATOM 0 HG2 ARG A 8 11.941 -10.899 -12.549 1.00 1.00 H new ATOM 0 HG3 ARG A 8 10.811 -12.112 -11.979 1.00 1.00 H new ATOM 0 HD2 ARG A 8 10.122 -12.558 -14.366 1.00 1.00 H new ATOM 0 HD3 ARG A 8 11.308 -11.389 -14.910 1.00 1.00 H new ATOM 0 HE ARG A 8 12.850 -13.016 -13.265 1.00 1.00 H new ATOM 0 HH11 ARG A 8 10.565 -13.767 -15.984 1.00 1.00 H new ATOM 0 HH12 ARG A 8 11.420 -15.250 -16.422 1.00 1.00 H new ATOM 0 HH21 ARG A 8 13.877 -15.052 -13.902 1.00 1.00 H new ATOM 0 HH22 ARG A 8 13.238 -15.956 -15.279 1.00 1.00 H new ATOM 130 N LEU A 9 7.389 -8.831 -11.513 1.00 1.00 N ATOM 131 CA LEU A 9 6.383 -7.817 -11.453 1.00 1.00 C ATOM 132 C LEU A 9 6.278 -7.187 -10.107 1.00 1.00 C ATOM 133 O LEU A 9 6.249 -5.961 -10.014 1.00 1.00 O ATOM 134 CB LEU A 9 5.030 -8.388 -11.905 1.00 1.00 C ATOM 135 CG LEU A 9 4.952 -8.715 -13.406 1.00 1.00 C ATOM 136 CD1 LEU A 9 3.721 -9.582 -13.724 1.00 1.00 C ATOM 137 CD2 LEU A 9 4.933 -7.454 -14.284 1.00 1.00 C ATOM 0 H LEU A 9 7.002 -9.757 -11.694 1.00 1.00 H new ATOM 0 HA LEU A 9 6.681 -7.023 -12.138 1.00 1.00 H new ATOM 0 HB2 LEU A 9 4.823 -9.294 -11.336 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.246 -7.672 -11.660 1.00 1.00 H new ATOM 0 HG LEU A 9 5.858 -9.274 -13.641 1.00 1.00 H new ATOM 0 HD11 LEU A 9 3.693 -9.796 -14.792 1.00 1.00 H new ATOM 0 HD12 LEU A 9 3.781 -10.517 -13.168 1.00 1.00 H new ATOM 0 HD13 LEU A 9 2.815 -9.047 -13.438 1.00 1.00 H new ATOM 0 HD21 LEU A 9 4.877 -7.742 -15.334 1.00 1.00 H new ATOM 0 HD22 LEU A 9 4.065 -6.846 -14.028 1.00 1.00 H new ATOM 0 HD23 LEU A 9 5.843 -6.878 -14.114 1.00 1.00 H new ATOM 149 N ALA A 10 6.273 -7.975 -9.017 1.00 1.00 N ATOM 150 CA ALA A 10 6.167 -7.531 -7.662 1.00 1.00 C ATOM 151 C ALA A 10 7.271 -6.621 -7.243 1.00 1.00 C ATOM 152 O ALA A 10 7.041 -5.512 -6.762 1.00 1.00 O ATOM 153 CB ALA A 10 6.113 -8.724 -6.694 1.00 1.00 C ATOM 0 H ALA A 10 6.348 -8.990 -9.088 1.00 1.00 H new ATOM 0 HA ALA A 10 5.238 -6.963 -7.618 1.00 1.00 H new ATOM 0 HB1 ALA A 10 6.033 -8.359 -5.670 1.00 1.00 H new ATOM 0 HB2 ALA A 10 5.247 -9.343 -6.927 1.00 1.00 H new ATOM 0 HB3 ALA A 10 7.021 -9.318 -6.797 1.00 1.00 H new ATOM 159 N ASP A 11 8.527 -7.039 -7.479 1.00 1.00 N ATOM 160 CA ASP A 11 9.693 -6.237 -7.279 1.00 1.00 C ATOM 161 C ASP A 11 9.640 -4.964 -8.051 1.00 1.00 C ATOM 162 O ASP A 11 9.826 -3.885 -7.489 1.00 1.00 O ATOM 163 CB ASP A 11 10.946 -7.054 -7.637 1.00 1.00 C ATOM 164 CG ASP A 11 11.304 -8.038 -6.531 1.00 1.00 C ATOM 165 OD1 ASP A 11 10.685 -9.130 -6.429 1.00 1.00 O ATOM 166 OD2 ASP A 11 12.244 -7.739 -5.747 1.00 1.00 O ATOM 0 H ASP A 11 8.739 -7.975 -7.824 1.00 1.00 H new ATOM 0 HA ASP A 11 9.736 -5.956 -6.227 1.00 1.00 H new ATOM 0 HB2 ASP A 11 10.775 -7.596 -8.567 1.00 1.00 H new ATOM 0 HB3 ASP A 11 11.784 -6.379 -7.811 1.00 1.00 H new ATOM 171 N GLN A 12 9.324 -4.998 -9.358 1.00 1.00 N ATOM 172 CA GLN A 12 9.242 -3.781 -10.106 1.00 1.00 C ATOM 173 C GLN A 12 8.174 -2.840 -9.667 1.00 1.00 C ATOM 174 O GLN A 12 8.457 -1.651 -9.530 1.00 1.00 O ATOM 175 CB GLN A 12 9.294 -3.924 -11.637 1.00 1.00 C ATOM 176 CG GLN A 12 7.977 -4.242 -12.348 1.00 1.00 C ATOM 177 CD GLN A 12 8.085 -4.265 -13.867 1.00 1.00 C ATOM 178 OE1 GLN A 12 7.771 -5.261 -14.516 1.00 1.00 O ATOM 179 NE2 GLN A 12 8.491 -3.122 -14.481 1.00 1.00 N ATOM 0 H GLN A 12 9.129 -5.847 -9.888 1.00 1.00 H new ATOM 0 HA GLN A 12 10.188 -3.310 -9.838 1.00 1.00 H new ATOM 0 HB2 GLN A 12 9.687 -2.996 -12.051 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.009 -4.710 -11.880 1.00 1.00 H new ATOM 0 HG2 GLN A 12 7.615 -5.211 -12.005 1.00 1.00 H new ATOM 0 HG3 GLN A 12 7.231 -3.502 -12.058 1.00 1.00 H new ATOM 0 HE21 GLN A 12 8.747 -2.307 -13.924 1.00 1.00 H new ATOM 0 HE22 GLN A 12 8.540 -3.079 -15.499 1.00 1.00 H new ATOM 188 N LEU A 13 6.931 -3.272 -9.389 1.00 1.00 N ATOM 189 CA LEU A 13 5.864 -2.411 -8.984 1.00 1.00 C ATOM 190 C LEU A 13 6.057 -1.746 -7.664 1.00 1.00 C ATOM 191 O LEU A 13 5.730 -0.571 -7.509 1.00 1.00 O ATOM 192 CB LEU A 13 4.499 -3.111 -9.095 1.00 1.00 C ATOM 193 CG LEU A 13 4.177 -4.335 -8.219 1.00 1.00 C ATOM 194 CD1 LEU A 13 3.558 -3.978 -6.858 1.00 1.00 C ATOM 195 CD2 LEU A 13 3.213 -5.271 -8.966 1.00 1.00 C ATOM 0 H LEU A 13 6.660 -4.253 -9.448 1.00 1.00 H new ATOM 0 HA LEU A 13 5.880 -1.588 -9.698 1.00 1.00 H new ATOM 0 HB2 LEU A 13 3.735 -2.360 -8.893 1.00 1.00 H new ATOM 0 HB3 LEU A 13 4.378 -3.418 -10.134 1.00 1.00 H new ATOM 0 HG LEU A 13 5.132 -4.822 -8.022 1.00 1.00 H new ATOM 0 HD11 LEU A 13 3.359 -4.892 -6.298 1.00 1.00 H new ATOM 0 HD12 LEU A 13 4.251 -3.352 -6.296 1.00 1.00 H new ATOM 0 HD13 LEU A 13 2.624 -3.437 -7.013 1.00 1.00 H new ATOM 0 HD21 LEU A 13 2.988 -6.136 -8.342 1.00 1.00 H new ATOM 0 HD22 LEU A 13 2.290 -4.737 -9.192 1.00 1.00 H new ATOM 0 HD23 LEU A 13 3.676 -5.605 -9.895 1.00 1.00 H new ATOM 207 N TRP A 14 6.662 -2.445 -6.686 1.00 1.00 N ATOM 208 CA TRP A 14 7.157 -1.864 -5.477 1.00 1.00 C ATOM 209 C TRP A 14 8.111 -0.741 -5.704 1.00 1.00 C ATOM 210 O TRP A 14 7.803 0.390 -5.330 1.00 1.00 O ATOM 211 CB TRP A 14 7.753 -2.926 -4.538 1.00 1.00 C ATOM 212 CG TRP A 14 6.750 -3.760 -3.775 1.00 1.00 C ATOM 213 CD1 TRP A 14 5.416 -3.558 -3.569 1.00 1.00 C ATOM 214 CD2 TRP A 14 7.102 -4.919 -2.997 1.00 1.00 C ATOM 215 NE1 TRP A 14 4.912 -4.510 -2.722 1.00 1.00 N ATOM 216 CE2 TRP A 14 5.936 -5.351 -2.355 1.00 1.00 C ATOM 217 CE3 TRP A 14 8.293 -5.566 -2.804 1.00 1.00 C ATOM 218 CZ2 TRP A 14 5.957 -6.432 -1.517 1.00 1.00 C ATOM 219 CZ3 TRP A 14 8.302 -6.653 -1.962 1.00 1.00 C ATOM 220 CH2 TRP A 14 7.156 -7.080 -1.335 1.00 1.00 C ATOM 0 H TRP A 14 6.812 -3.453 -6.740 1.00 1.00 H new ATOM 0 HA TRP A 14 6.289 -1.426 -4.984 1.00 1.00 H new ATOM 0 HB2 TRP A 14 8.381 -3.594 -5.127 1.00 1.00 H new ATOM 0 HB3 TRP A 14 8.404 -2.426 -3.820 1.00 1.00 H new ATOM 0 HD1 TRP A 14 4.839 -2.760 -4.012 1.00 1.00 H new ATOM 0 HE1 TRP A 14 3.942 -4.582 -2.416 1.00 1.00 H new ATOM 0 HE3 TRP A 14 9.195 -5.234 -3.296 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 5.061 -6.766 -1.015 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 9.228 -7.182 -1.790 1.00 1.00 H new ATOM 0 HH2 TRP A 14 7.198 -7.942 -0.686 1.00 1.00 H new ATOM 231 N LEU A 15 9.259 -0.944 -6.374 1.00 1.00 N ATOM 232 CA LEU A 15 10.211 0.104 -6.580 1.00 1.00 C ATOM 233 C LEU A 15 9.715 1.238 -7.409 1.00 1.00 C ATOM 234 O LEU A 15 10.075 2.401 -7.228 1.00 1.00 O ATOM 235 CB LEU A 15 11.495 -0.380 -7.274 1.00 1.00 C ATOM 236 CG LEU A 15 12.114 -1.626 -6.618 1.00 1.00 C ATOM 237 CD1 LEU A 15 13.300 -2.153 -7.444 1.00 1.00 C ATOM 238 CD2 LEU A 15 12.537 -1.395 -5.157 1.00 1.00 C ATOM 0 H LEU A 15 9.530 -1.841 -6.776 1.00 1.00 H new ATOM 0 HA LEU A 15 10.404 0.441 -5.562 1.00 1.00 H new ATOM 0 HB2 LEU A 15 11.273 -0.601 -8.318 1.00 1.00 H new ATOM 0 HB3 LEU A 15 12.228 0.427 -7.268 1.00 1.00 H new ATOM 0 HG LEU A 15 11.328 -2.381 -6.601 1.00 1.00 H new ATOM 0 HD11 LEU A 15 13.719 -3.034 -6.958 1.00 1.00 H new ATOM 0 HD12 LEU A 15 12.957 -2.419 -8.444 1.00 1.00 H new ATOM 0 HD13 LEU A 15 14.065 -1.380 -7.516 1.00 1.00 H new ATOM 0 HD21 LEU A 15 12.966 -2.312 -4.753 1.00 1.00 H new ATOM 0 HD22 LEU A 15 13.279 -0.598 -5.115 1.00 1.00 H new ATOM 0 HD23 LEU A 15 11.666 -1.111 -4.567 1.00 1.00 H new ATOM 250 N THR A 16 8.850 0.917 -8.388 1.00 1.00 N ATOM 251 CA THR A 16 8.153 1.850 -9.219 1.00 1.00 C ATOM 252 C THR A 16 7.382 2.843 -8.418 1.00 1.00 C ATOM 253 O THR A 16 7.636 4.045 -8.471 1.00 1.00 O ATOM 254 CB THR A 16 7.219 1.229 -10.213 1.00 1.00 C ATOM 255 OG1 THR A 16 7.901 0.340 -11.086 1.00 1.00 O ATOM 256 CG2 THR A 16 6.599 2.281 -11.148 1.00 1.00 C ATOM 0 H THR A 16 8.624 -0.052 -8.612 1.00 1.00 H new ATOM 0 HA THR A 16 8.952 2.340 -9.776 1.00 1.00 H new ATOM 0 HB THR A 16 6.466 0.721 -9.611 1.00 1.00 H new ATOM 0 HG1 THR A 16 8.151 -0.471 -10.597 1.00 1.00 H new ATOM 0 HG21 THR A 16 5.928 1.791 -11.853 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.038 3.006 -10.559 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.390 2.793 -11.696 1.00 1.00 H new ATOM 264 N ILE A 17 6.429 2.369 -7.596 1.00 1.00 N ATOM 265 CA ILE A 17 5.648 3.184 -6.715 1.00 1.00 C ATOM 266 C ILE A 17 6.435 3.903 -5.675 1.00 1.00 C ATOM 267 O ILE A 17 6.162 5.078 -5.435 1.00 1.00 O ATOM 268 CB ILE A 17 4.498 2.416 -6.138 1.00 1.00 C ATOM 269 CG1 ILE A 17 3.560 1.867 -7.227 1.00 1.00 C ATOM 270 CG2 ILE A 17 3.680 3.275 -5.160 1.00 1.00 C ATOM 271 CD1 ILE A 17 2.810 2.919 -8.042 1.00 1.00 C ATOM 0 H ILE A 17 6.192 1.378 -7.542 1.00 1.00 H new ATOM 0 HA ILE A 17 5.241 3.981 -7.338 1.00 1.00 H new ATOM 0 HB ILE A 17 4.938 1.576 -5.601 1.00 1.00 H new ATOM 0 HG12 ILE A 17 4.146 1.253 -7.911 1.00 1.00 H new ATOM 0 HG13 ILE A 17 2.830 1.210 -6.755 1.00 1.00 H new ATOM 0 HG21 ILE A 17 2.854 2.686 -4.761 1.00 1.00 H new ATOM 0 HG22 ILE A 17 4.320 3.604 -4.341 1.00 1.00 H new ATOM 0 HG23 ILE A 17 3.285 4.146 -5.683 1.00 1.00 H new ATOM 0 HD11 ILE A 17 2.178 2.425 -8.780 1.00 1.00 H new ATOM 0 HD12 ILE A 17 2.189 3.520 -7.377 1.00 1.00 H new ATOM 0 HD13 ILE A 17 3.526 3.564 -8.551 1.00 1.00 H new ATOM 283 N GLU A 18 7.475 3.319 -5.054 1.00 1.00 N ATOM 284 CA GLU A 18 8.374 4.006 -4.179 1.00 1.00 C ATOM 285 C GLU A 18 8.942 5.248 -4.775 1.00 1.00 C ATOM 286 O GLU A 18 8.849 6.328 -4.194 1.00 1.00 O ATOM 287 CB GLU A 18 9.587 3.129 -3.826 1.00 1.00 C ATOM 288 CG GLU A 18 9.415 1.924 -2.900 1.00 1.00 C ATOM 289 CD GLU A 18 10.734 1.181 -2.748 1.00 1.00 C ATOM 290 OE1 GLU A 18 11.758 1.629 -3.332 1.00 1.00 O ATOM 291 OE2 GLU A 18 10.761 0.142 -2.038 1.00 1.00 O ATOM 0 H GLU A 18 7.699 2.330 -5.165 1.00 1.00 H new ATOM 0 HA GLU A 18 7.769 4.248 -3.305 1.00 1.00 H new ATOM 0 HB2 GLU A 18 10.005 2.761 -4.763 1.00 1.00 H new ATOM 0 HB3 GLU A 18 10.337 3.779 -3.376 1.00 1.00 H new ATOM 0 HG2 GLU A 18 9.062 2.255 -1.923 1.00 1.00 H new ATOM 0 HG3 GLU A 18 8.656 1.253 -3.303 1.00 1.00 H new ATOM 298 N GLU A 19 9.521 5.147 -5.985 1.00 1.00 N ATOM 299 CA GLU A 19 10.114 6.241 -6.688 1.00 1.00 C ATOM 300 C GLU A 19 9.149 7.297 -7.102 1.00 1.00 C ATOM 301 O GLU A 19 9.447 8.487 -7.028 1.00 1.00 O ATOM 302 CB GLU A 19 10.883 5.744 -7.925 1.00 1.00 C ATOM 303 CG GLU A 19 11.842 6.775 -8.524 1.00 1.00 C ATOM 304 CD GLU A 19 13.262 6.644 -7.992 1.00 1.00 C ATOM 305 OE1 GLU A 19 13.995 5.759 -8.508 1.00 1.00 O ATOM 306 OE2 GLU A 19 13.681 7.430 -7.100 1.00 1.00 O ATOM 0 H GLU A 19 9.578 4.265 -6.494 1.00 1.00 H new ATOM 0 HA GLU A 19 10.797 6.701 -5.973 1.00 1.00 H new ATOM 0 HB2 GLU A 19 11.449 4.853 -7.653 1.00 1.00 H new ATOM 0 HB3 GLU A 19 10.165 5.445 -8.689 1.00 1.00 H new ATOM 0 HG2 GLU A 19 11.854 6.665 -9.608 1.00 1.00 H new ATOM 0 HG3 GLU A 19 11.470 7.777 -8.309 1.00 1.00 H new ATOM 313 N ARG A 20 7.920 6.918 -7.497 1.00 1.00 N ATOM 314 CA ARG A 20 6.831 7.813 -7.736 1.00 1.00 C ATOM 315 C ARG A 20 6.546 8.707 -6.579 1.00 1.00 C ATOM 316 O ARG A 20 6.487 9.927 -6.737 1.00 1.00 O ATOM 317 CB ARG A 20 5.551 7.044 -8.106 1.00 1.00 C ATOM 318 CG ARG A 20 4.270 7.881 -8.100 1.00 1.00 C ATOM 319 CD ARG A 20 3.079 7.138 -8.710 1.00 1.00 C ATOM 320 NE ARG A 20 1.832 7.841 -8.301 1.00 1.00 N ATOM 321 CZ ARG A 20 1.104 7.464 -7.209 1.00 1.00 C ATOM 322 NH1 ARG A 20 1.584 6.547 -6.320 1.00 1.00 N ATOM 323 NH2 ARG A 20 -0.140 7.975 -6.973 1.00 1.00 N ATOM 0 H ARG A 20 7.675 5.941 -7.657 1.00 1.00 H new ATOM 0 HA ARG A 20 7.142 8.438 -8.573 1.00 1.00 H new ATOM 0 HB2 ARG A 20 5.679 6.610 -9.098 1.00 1.00 H new ATOM 0 HB3 ARG A 20 5.429 6.215 -7.409 1.00 1.00 H new ATOM 0 HG2 ARG A 20 4.030 8.165 -7.075 1.00 1.00 H new ATOM 0 HG3 ARG A 20 4.441 8.804 -8.655 1.00 1.00 H new ATOM 0 HD2 ARG A 20 3.162 7.114 -9.797 1.00 1.00 H new ATOM 0 HD3 ARG A 20 3.061 6.103 -8.368 1.00 1.00 H new ATOM 0 HE ARG A 20 1.510 8.633 -8.857 1.00 1.00 H new ATOM 0 HH11 ARG A 20 2.503 6.129 -6.465 1.00 1.00 H new ATOM 0 HH12 ARG A 20 1.024 6.279 -5.511 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -0.544 8.653 -7.619 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -0.665 7.679 -6.151 1.00 1.00 H new ATOM 337 N LEU A 21 6.394 8.143 -5.367 1.00 1.00 N ATOM 338 CA LEU A 21 6.153 8.899 -4.177 1.00 1.00 C ATOM 339 C LEU A 21 7.336 9.692 -3.739 1.00 1.00 C ATOM 340 O LEU A 21 7.189 10.869 -3.412 1.00 1.00 O ATOM 341 CB LEU A 21 5.674 8.034 -3.000 1.00 1.00 C ATOM 342 CG LEU A 21 4.182 7.657 -2.994 1.00 1.00 C ATOM 343 CD1 LEU A 21 3.228 8.837 -3.236 1.00 1.00 C ATOM 344 CD2 LEU A 21 3.868 6.509 -3.967 1.00 1.00 C ATOM 0 H LEU A 21 6.440 7.136 -5.210 1.00 1.00 H new ATOM 0 HA LEU A 21 5.354 9.585 -4.457 1.00 1.00 H new ATOM 0 HB2 LEU A 21 6.259 7.115 -2.991 1.00 1.00 H new ATOM 0 HB3 LEU A 21 5.897 8.563 -2.074 1.00 1.00 H new ATOM 0 HG LEU A 21 3.997 7.316 -1.975 1.00 1.00 H new ATOM 0 HD11 LEU A 21 2.198 8.482 -3.216 1.00 1.00 H new ATOM 0 HD12 LEU A 21 3.370 9.585 -2.456 1.00 1.00 H new ATOM 0 HD13 LEU A 21 3.439 9.282 -4.208 1.00 1.00 H new ATOM 0 HD21 LEU A 21 2.803 6.279 -3.927 1.00 1.00 H new ATOM 0 HD22 LEU A 21 4.137 6.807 -4.980 1.00 1.00 H new ATOM 0 HD23 LEU A 21 4.441 5.626 -3.684 1.00 1.00 H new ATOM 356 N ASP A 22 8.551 9.115 -3.731 1.00 1.00 N ATOM 357 CA ASP A 22 9.768 9.765 -3.355 1.00 1.00 C ATOM 358 C ASP A 22 10.050 11.014 -4.116 1.00 1.00 C ATOM 359 O ASP A 22 10.418 12.041 -3.545 1.00 1.00 O ATOM 360 CB ASP A 22 10.917 8.754 -3.509 1.00 1.00 C ATOM 361 CG ASP A 22 12.188 9.118 -2.754 1.00 1.00 C ATOM 362 OD1 ASP A 22 12.162 9.996 -1.850 1.00 1.00 O ATOM 363 OD2 ASP A 22 13.246 8.496 -3.039 1.00 1.00 O ATOM 0 H ASP A 22 8.691 8.142 -4.002 1.00 1.00 H new ATOM 0 HA ASP A 22 9.667 10.089 -2.319 1.00 1.00 H new ATOM 0 HB2 ASP A 22 10.573 7.778 -3.166 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.155 8.654 -4.568 1.00 1.00 H new ATOM 368 N ASP A 23 9.870 11.012 -5.449 1.00 1.00 N ATOM 369 CA ASP A 23 10.055 12.148 -6.299 1.00 1.00 C ATOM 370 C ASP A 23 9.004 13.192 -6.132 1.00 1.00 C ATOM 371 O ASP A 23 9.259 14.379 -6.334 1.00 1.00 O ATOM 372 CB ASP A 23 10.141 11.648 -7.749 1.00 1.00 C ATOM 373 CG ASP A 23 10.494 12.708 -8.784 1.00 1.00 C ATOM 374 OD1 ASP A 23 11.658 13.185 -8.821 1.00 1.00 O ATOM 375 OD2 ASP A 23 9.619 13.052 -9.624 1.00 1.00 O ATOM 0 H ASP A 23 9.581 10.177 -5.959 1.00 1.00 H new ATOM 0 HA ASP A 23 10.982 12.647 -6.016 1.00 1.00 H new ATOM 0 HB2 ASP A 23 10.886 10.854 -7.798 1.00 1.00 H new ATOM 0 HB3 ASP A 23 9.183 11.204 -8.020 1.00 1.00 H new ATOM 380 N TRP A 24 7.771 12.825 -5.742 1.00 1.00 N ATOM 381 CA TRP A 24 6.672 13.727 -5.591 1.00 1.00 C ATOM 382 C TRP A 24 6.818 14.627 -4.411 1.00 1.00 C ATOM 383 O TRP A 24 7.431 14.284 -3.402 1.00 1.00 O ATOM 384 CB TRP A 24 5.359 12.931 -5.506 1.00 1.00 C ATOM 385 CG TRP A 24 4.056 13.680 -5.637 1.00 1.00 C ATOM 386 CD1 TRP A 24 3.314 14.306 -4.675 1.00 1.00 C ATOM 387 CD2 TRP A 24 3.310 13.803 -6.861 1.00 1.00 C ATOM 388 NE1 TRP A 24 2.174 14.835 -5.220 1.00 1.00 N ATOM 389 CE2 TRP A 24 2.144 14.520 -6.558 1.00 1.00 C ATOM 390 CE3 TRP A 24 3.546 13.356 -8.131 1.00 1.00 C ATOM 391 CZ2 TRP A 24 1.219 14.790 -7.529 1.00 1.00 C ATOM 392 CZ3 TRP A 24 2.605 13.627 -9.097 1.00 1.00 C ATOM 393 CH2 TRP A 24 1.460 14.326 -8.800 1.00 1.00 C ATOM 0 H TRP A 24 7.529 11.859 -5.523 1.00 1.00 H new ATOM 0 HA TRP A 24 6.657 14.373 -6.469 1.00 1.00 H new ATOM 0 HB2 TRP A 24 5.383 12.168 -6.284 1.00 1.00 H new ATOM 0 HB3 TRP A 24 5.348 12.410 -4.548 1.00 1.00 H new ATOM 0 HD1 TRP A 24 3.588 14.374 -3.632 1.00 1.00 H new ATOM 0 HE1 TRP A 24 1.467 15.372 -4.718 1.00 1.00 H new ATOM 0 HE3 TRP A 24 4.445 12.806 -8.369 1.00 1.00 H new ATOM 0 HZ2 TRP A 24 0.325 15.352 -7.303 1.00 1.00 H new ATOM 0 HZ3 TRP A 24 2.769 13.284 -10.108 1.00 1.00 H new ATOM 0 HH2 TRP A 24 0.736 14.514 -9.579 1.00 1.00 H new ATOM 404 N ASP A 25 6.264 15.849 -4.503 1.00 1.00 N ATOM 405 CA ASP A 25 6.000 16.720 -3.401 1.00 1.00 C ATOM 406 C ASP A 25 4.834 17.530 -3.853 1.00 1.00 C ATOM 407 O ASP A 25 4.529 17.598 -5.043 1.00 1.00 O ATOM 408 CB ASP A 25 7.156 17.676 -3.066 1.00 1.00 C ATOM 409 CG ASP A 25 8.197 17.035 -2.160 1.00 1.00 C ATOM 410 OD1 ASP A 25 7.864 16.674 -1.001 1.00 1.00 O ATOM 411 OD2 ASP A 25 9.386 16.973 -2.572 1.00 1.00 O ATOM 0 H ASP A 25 5.985 16.251 -5.398 1.00 1.00 H new ATOM 0 HA ASP A 25 5.837 16.133 -2.497 1.00 1.00 H new ATOM 0 HB2 ASP A 25 7.634 18.001 -3.990 1.00 1.00 H new ATOM 0 HB3 ASP A 25 6.757 18.568 -2.582 1.00 1.00 H new ATOM 416 N GLY A 26 4.127 18.198 -2.926 1.00 1.00 N ATOM 417 CA GLY A 26 3.042 19.051 -3.301 1.00 1.00 C ATOM 418 C GLY A 26 2.703 20.010 -2.213 1.00 1.00 C ATOM 419 O GLY A 26 3.574 20.629 -1.604 1.00 1.00 O ATOM 0 H GLY A 26 4.304 18.149 -1.923 1.00 1.00 H new ATOM 0 HA2 GLY A 26 3.305 19.601 -4.204 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.167 18.446 -3.540 1.00 1.00 H new ATOM 423 N ASP A 27 1.402 20.134 -1.896 1.00 1.00 N ATOM 424 CA ASP A 27 0.923 20.876 -0.771 1.00 1.00 C ATOM 425 C ASP A 27 1.313 20.201 0.499 1.00 1.00 C ATOM 426 O ASP A 27 1.579 20.852 1.508 1.00 1.00 O ATOM 427 CB ASP A 27 -0.608 20.993 -0.865 1.00 1.00 C ATOM 428 CG ASP A 27 -1.076 22.404 -1.192 1.00 1.00 C ATOM 429 OD1 ASP A 27 -0.799 23.347 -0.404 1.00 1.00 O ATOM 430 OD2 ASP A 27 -1.772 22.569 -2.228 1.00 1.00 O ATOM 0 H ASP A 27 0.657 19.702 -2.442 1.00 1.00 H new ATOM 0 HA ASP A 27 1.366 21.872 -0.776 1.00 1.00 H new ATOM 0 HB2 ASP A 27 -0.973 20.308 -1.630 1.00 1.00 H new ATOM 0 HB3 ASP A 27 -1.050 20.679 0.081 1.00 1.00 H new ATOM 435 N SER A 28 1.383 18.858 0.486 1.00 1.00 N ATOM 436 CA SER A 28 1.799 18.061 1.598 1.00 1.00 C ATOM 437 C SER A 28 3.094 17.381 1.319 1.00 1.00 C ATOM 438 O SER A 28 3.617 17.430 0.207 1.00 1.00 O ATOM 439 CB SER A 28 0.698 17.076 2.026 1.00 1.00 C ATOM 440 OG SER A 28 0.456 16.020 1.109 1.00 1.00 O ATOM 0 H SER A 28 1.139 18.304 -0.335 1.00 1.00 H new ATOM 0 HA SER A 28 1.968 18.726 2.445 1.00 1.00 H new ATOM 0 HB2 SER A 28 0.969 16.646 2.990 1.00 1.00 H new ATOM 0 HB3 SER A 28 -0.229 17.630 2.173 1.00 1.00 H new ATOM 0 HG SER A 28 -0.254 15.441 1.457 1.00 1.00 H new ATOM 446 N ASP A 29 3.679 16.723 2.336 1.00 1.00 N ATOM 447 CA ASP A 29 4.910 16.002 2.241 1.00 1.00 C ATOM 448 C ASP A 29 4.644 14.554 2.009 1.00 1.00 C ATOM 449 O ASP A 29 3.529 14.175 1.655 1.00 1.00 O ATOM 450 CB ASP A 29 5.737 16.314 3.500 1.00 1.00 C ATOM 451 CG ASP A 29 7.233 16.205 3.239 1.00 1.00 C ATOM 452 OD1 ASP A 29 7.765 15.064 3.287 1.00 1.00 O ATOM 453 OD2 ASP A 29 7.892 17.243 2.968 1.00 1.00 O ATOM 0 H ASP A 29 3.273 16.693 3.271 1.00 1.00 H new ATOM 0 HA ASP A 29 5.502 16.314 1.381 1.00 1.00 H new ATOM 0 HB2 ASP A 29 5.502 17.320 3.849 1.00 1.00 H new ATOM 0 HB3 ASP A 29 5.457 15.626 4.298 1.00 1.00 H new ATOM 458 N ILE A 30 5.660 13.680 2.115 1.00 1.00 N ATOM 459 CA ILE A 30 5.575 12.314 1.701 1.00 1.00 C ATOM 460 C ILE A 30 6.683 11.514 2.297 1.00 1.00 C ATOM 461 O ILE A 30 7.869 11.768 2.095 1.00 1.00 O ATOM 462 CB ILE A 30 5.519 12.178 0.208 1.00 1.00 C ATOM 463 CG1 ILE A 30 5.438 10.723 -0.280 1.00 1.00 C ATOM 464 CG2 ILE A 30 6.665 12.917 -0.504 1.00 1.00 C ATOM 465 CD1 ILE A 30 4.174 10.001 0.187 1.00 1.00 C ATOM 0 H ILE A 30 6.570 13.932 2.501 1.00 1.00 H new ATOM 0 HA ILE A 30 4.635 11.911 2.077 1.00 1.00 H new ATOM 0 HB ILE A 30 4.582 12.661 -0.068 1.00 1.00 H new ATOM 0 HG12 ILE A 30 5.475 10.709 -1.369 1.00 1.00 H new ATOM 0 HG13 ILE A 30 6.312 10.178 0.076 1.00 1.00 H new ATOM 0 HG21 ILE A 30 6.571 12.782 -1.582 1.00 1.00 H new ATOM 0 HG22 ILE A 30 6.616 13.980 -0.266 1.00 1.00 H new ATOM 0 HG23 ILE A 30 7.621 12.514 -0.170 1.00 1.00 H new ATOM 0 HD11 ILE A 30 4.178 8.979 -0.191 1.00 1.00 H new ATOM 0 HD12 ILE A 30 4.146 9.985 1.277 1.00 1.00 H new ATOM 0 HD13 ILE A 30 3.296 10.524 -0.191 1.00 1.00 H new ATOM 477 N ASP A 31 6.345 10.485 3.094 1.00 1.00 N ATOM 478 CA ASP A 31 7.270 9.499 3.561 1.00 1.00 C ATOM 479 C ASP A 31 6.683 8.135 3.444 1.00 1.00 C ATOM 480 O ASP A 31 5.784 7.739 4.185 1.00 1.00 O ATOM 481 CB ASP A 31 7.668 9.813 5.012 1.00 1.00 C ATOM 482 CG ASP A 31 8.906 9.078 5.505 1.00 1.00 C ATOM 483 OD1 ASP A 31 9.761 8.633 4.693 1.00 1.00 O ATOM 484 OD2 ASP A 31 9.048 8.993 6.754 1.00 1.00 O ATOM 0 H ASP A 31 5.392 10.334 3.426 1.00 1.00 H new ATOM 0 HA ASP A 31 8.167 9.524 2.942 1.00 1.00 H new ATOM 0 HB2 ASP A 31 7.838 10.886 5.104 1.00 1.00 H new ATOM 0 HB3 ASP A 31 6.831 9.566 5.665 1.00 1.00 H new ATOM 489 N CYS A 32 7.162 7.307 2.499 1.00 1.00 N ATOM 490 CA CYS A 32 6.756 5.938 2.418 1.00 1.00 C ATOM 491 C CYS A 32 7.499 5.076 3.381 1.00 1.00 C ATOM 492 O CYS A 32 8.691 5.258 3.621 1.00 1.00 O ATOM 493 CB CYS A 32 6.971 5.396 0.994 1.00 1.00 C ATOM 494 SG CYS A 32 6.262 3.757 0.647 1.00 1.00 S ATOM 0 H CYS A 32 7.835 7.588 1.786 1.00 1.00 H new ATOM 0 HA CYS A 32 5.697 5.907 2.674 1.00 1.00 H new ATOM 0 HB2 CYS A 32 6.547 6.110 0.287 1.00 1.00 H new ATOM 0 HB3 CYS A 32 8.043 5.354 0.801 1.00 1.00 H new ATOM 0 HG CYS A 32 6.606 2.927 1.587 1.00 1.00 H new ATOM 500 N GLU A 33 6.835 4.061 3.962 1.00 1.00 N ATOM 501 CA GLU A 33 7.475 3.028 4.716 1.00 1.00 C ATOM 502 C GLU A 33 7.835 1.908 3.802 1.00 1.00 C ATOM 503 O GLU A 33 7.038 1.520 2.949 1.00 1.00 O ATOM 504 CB GLU A 33 6.585 2.365 5.781 1.00 1.00 C ATOM 505 CG GLU A 33 6.057 3.283 6.884 1.00 1.00 C ATOM 506 CD GLU A 33 5.543 2.462 8.058 1.00 1.00 C ATOM 507 OE1 GLU A 33 4.534 1.720 7.926 1.00 1.00 O ATOM 508 OE2 GLU A 33 6.178 2.521 9.145 1.00 1.00 O ATOM 0 H GLU A 33 5.822 3.956 3.906 1.00 1.00 H new ATOM 0 HA GLU A 33 8.318 3.523 5.198 1.00 1.00 H new ATOM 0 HB2 GLU A 33 5.733 1.907 5.279 1.00 1.00 H new ATOM 0 HB3 GLU A 33 7.151 1.559 6.248 1.00 1.00 H new ATOM 0 HG2 GLU A 33 6.850 3.952 7.219 1.00 1.00 H new ATOM 0 HG3 GLU A 33 5.256 3.909 6.492 1.00 1.00 H new ATOM 515 N ILE A 34 9.033 1.331 4.000 1.00 1.00 N ATOM 516 CA ILE A 34 9.489 0.168 3.303 1.00 1.00 C ATOM 517 C ILE A 34 9.883 -0.790 4.375 1.00 1.00 C ATOM 518 O ILE A 34 10.886 -0.633 5.071 1.00 1.00 O ATOM 519 CB ILE A 34 10.652 0.364 2.378 1.00 1.00 C ATOM 520 CG1 ILE A 34 10.491 1.551 1.412 1.00 1.00 C ATOM 521 CG2 ILE A 34 10.847 -0.932 1.574 1.00 1.00 C ATOM 522 CD1 ILE A 34 10.942 2.884 2.010 1.00 1.00 C ATOM 0 H ILE A 34 9.712 1.689 4.672 1.00 1.00 H new ATOM 0 HA ILE A 34 8.686 -0.167 2.647 1.00 1.00 H new ATOM 0 HB ILE A 34 11.521 0.597 2.993 1.00 1.00 H new ATOM 0 HG12 ILE A 34 11.065 1.354 0.507 1.00 1.00 H new ATOM 0 HG13 ILE A 34 9.445 1.629 1.115 1.00 1.00 H new ATOM 0 HG21 ILE A 34 11.689 -0.814 0.892 1.00 1.00 H new ATOM 0 HG22 ILE A 34 11.046 -1.758 2.257 1.00 1.00 H new ATOM 0 HG23 ILE A 34 9.944 -1.144 1.002 1.00 1.00 H new ATOM 0 HD11 ILE A 34 10.802 3.678 1.276 1.00 1.00 H new ATOM 0 HD12 ILE A 34 10.351 3.103 2.899 1.00 1.00 H new ATOM 0 HD13 ILE A 34 11.996 2.823 2.281 1.00 1.00 H new ATOM 534 N ASN A 35 9.024 -1.808 4.561 1.00 1.00 N ATOM 535 CA ASN A 35 9.039 -2.696 5.681 1.00 1.00 C ATOM 536 C ASN A 35 8.934 -4.114 5.235 1.00 1.00 C ATOM 537 O ASN A 35 7.886 -4.746 5.357 1.00 1.00 O ATOM 538 CB ASN A 35 7.895 -2.291 6.625 1.00 1.00 C ATOM 539 CG ASN A 35 7.852 -3.050 7.942 1.00 1.00 C ATOM 540 OD1 ASN A 35 8.781 -3.736 8.370 1.00 1.00 O ATOM 541 ND2 ASN A 35 6.696 -2.917 8.645 1.00 1.00 N ATOM 0 H ASN A 35 8.281 -2.022 3.896 1.00 1.00 H new ATOM 0 HA ASN A 35 9.984 -2.619 6.218 1.00 1.00 H new ATOM 0 HB2 ASN A 35 7.980 -1.226 6.839 1.00 1.00 H new ATOM 0 HB3 ASN A 35 6.947 -2.437 6.107 1.00 1.00 H new ATOM 0 HD21 ASN A 35 6.588 -3.389 9.542 1.00 1.00 H new ATOM 0 HD22 ASN A 35 5.937 -2.345 8.275 1.00 1.00 H new ATOM 548 N GLY A 36 10.034 -4.691 4.719 1.00 1.00 N ATOM 549 CA GLY A 36 10.175 -6.095 4.489 1.00 1.00 C ATOM 550 C GLY A 36 9.504 -6.614 3.263 1.00 1.00 C ATOM 551 O GLY A 36 10.153 -6.970 2.282 1.00 1.00 O ATOM 0 H GLY A 36 10.860 -4.156 4.451 1.00 1.00 H new ATOM 0 HA2 GLY A 36 11.237 -6.331 4.428 1.00 1.00 H new ATOM 0 HA3 GLY A 36 9.779 -6.629 5.353 1.00 1.00 H new ATOM 555 N GLY A 37 8.163 -6.695 3.308 1.00 1.00 N ATOM 556 CA GLY A 37 7.324 -7.011 2.193 1.00 1.00 C ATOM 557 C GLY A 37 6.064 -6.218 2.249 1.00 1.00 C ATOM 558 O GLY A 37 5.014 -6.636 1.764 1.00 1.00 O ATOM 0 H GLY A 37 7.636 -6.532 4.166 1.00 1.00 H new ATOM 0 HA2 GLY A 37 7.851 -6.802 1.262 1.00 1.00 H new ATOM 0 HA3 GLY A 37 7.091 -8.076 2.195 1.00 1.00 H new ATOM 562 N VAL A 38 6.139 -5.032 2.880 1.00 1.00 N ATOM 563 CA VAL A 38 5.069 -4.090 3.000 1.00 1.00 C ATOM 564 C VAL A 38 5.567 -2.788 2.473 1.00 1.00 C ATOM 565 O VAL A 38 6.681 -2.374 2.792 1.00 1.00 O ATOM 566 CB VAL A 38 4.661 -3.917 4.433 1.00 1.00 C ATOM 567 CG1 VAL A 38 3.648 -2.776 4.619 1.00 1.00 C ATOM 568 CG2 VAL A 38 4.068 -5.236 4.957 1.00 1.00 C ATOM 0 H VAL A 38 6.996 -4.713 3.332 1.00 1.00 H new ATOM 0 HA VAL A 38 4.201 -4.444 2.445 1.00 1.00 H new ATOM 0 HB VAL A 38 5.552 -3.651 5.002 1.00 1.00 H new ATOM 0 HG11 VAL A 38 3.385 -2.692 5.673 1.00 1.00 H new ATOM 0 HG12 VAL A 38 4.089 -1.839 4.279 1.00 1.00 H new ATOM 0 HG13 VAL A 38 2.751 -2.987 4.037 1.00 1.00 H new ATOM 0 HG21 VAL A 38 3.771 -5.113 5.998 1.00 1.00 H new ATOM 0 HG22 VAL A 38 3.197 -5.506 4.360 1.00 1.00 H new ATOM 0 HG23 VAL A 38 4.816 -6.026 4.884 1.00 1.00 H new ATOM 578 N LEU A 39 4.763 -2.073 1.667 1.00 1.00 N ATOM 579 CA LEU A 39 4.888 -0.656 1.517 1.00 1.00 C ATOM 580 C LEU A 39 3.705 -0.040 2.179 1.00 1.00 C ATOM 581 O LEU A 39 2.570 -0.499 2.062 1.00 1.00 O ATOM 582 CB LEU A 39 4.932 -0.228 0.041 1.00 1.00 C ATOM 583 CG LEU A 39 6.213 -0.629 -0.708 1.00 1.00 C ATOM 584 CD1 LEU A 39 6.126 -0.169 -2.174 1.00 1.00 C ATOM 585 CD2 LEU A 39 7.472 -0.011 -0.075 1.00 1.00 C ATOM 0 H LEU A 39 4.014 -2.485 1.110 1.00 1.00 H new ATOM 0 HA LEU A 39 5.825 -0.328 1.968 1.00 1.00 H new ATOM 0 HB2 LEU A 39 4.075 -0.662 -0.474 1.00 1.00 H new ATOM 0 HB3 LEU A 39 4.821 0.855 -0.012 1.00 1.00 H new ATOM 0 HG LEU A 39 6.294 -1.714 -0.647 1.00 1.00 H new ATOM 0 HD11 LEU A 39 7.037 -0.456 -2.700 1.00 1.00 H new ATOM 0 HD12 LEU A 39 5.267 -0.639 -2.653 1.00 1.00 H new ATOM 0 HD13 LEU A 39 6.013 0.915 -2.209 1.00 1.00 H new ATOM 0 HD21 LEU A 39 8.352 -0.322 -0.638 1.00 1.00 H new ATOM 0 HD22 LEU A 39 7.394 1.076 -0.096 1.00 1.00 H new ATOM 0 HD23 LEU A 39 7.563 -0.349 0.957 1.00 1.00 H new ATOM 597 N THR A 40 3.933 1.043 2.943 1.00 1.00 N ATOM 598 CA THR A 40 2.862 1.732 3.596 1.00 1.00 C ATOM 599 C THR A 40 3.152 3.186 3.440 1.00 1.00 C ATOM 600 O THR A 40 4.115 3.721 3.985 1.00 1.00 O ATOM 601 CB THR A 40 2.665 1.402 5.047 1.00 1.00 C ATOM 602 OG1 THR A 40 3.730 0.657 5.616 1.00 1.00 O ATOM 603 CG2 THR A 40 1.415 0.520 5.203 1.00 1.00 C ATOM 0 H THR A 40 4.857 1.442 3.109 1.00 1.00 H new ATOM 0 HA THR A 40 1.929 1.417 3.129 1.00 1.00 H new ATOM 0 HB THR A 40 2.589 2.363 5.555 1.00 1.00 H new ATOM 0 HG1 THR A 40 3.764 0.820 6.582 1.00 1.00 H new ATOM 0 HG21 THR A 40 1.269 0.279 6.256 1.00 1.00 H new ATOM 0 HG22 THR A 40 0.543 1.056 4.829 1.00 1.00 H new ATOM 0 HG23 THR A 40 1.546 -0.401 4.634 1.00 1.00 H new ATOM 611 N ILE A 41 2.343 3.900 2.638 1.00 1.00 N ATOM 612 CA ILE A 41 2.654 5.250 2.282 1.00 1.00 C ATOM 613 C ILE A 41 2.062 6.181 3.281 1.00 1.00 C ATOM 614 O ILE A 41 0.862 6.103 3.541 1.00 1.00 O ATOM 615 CB ILE A 41 2.182 5.588 0.900 1.00 1.00 C ATOM 616 CG1 ILE A 41 2.883 4.706 -0.148 1.00 1.00 C ATOM 617 CG2 ILE A 41 2.412 7.076 0.584 1.00 1.00 C ATOM 618 CD1 ILE A 41 2.150 4.687 -1.489 1.00 1.00 C ATOM 0 H ILE A 41 1.475 3.544 2.237 1.00 1.00 H new ATOM 0 HA ILE A 41 3.739 5.358 2.284 1.00 1.00 H new ATOM 0 HB ILE A 41 1.111 5.392 0.859 1.00 1.00 H new ATOM 0 HG12 ILE A 41 3.900 5.068 -0.300 1.00 1.00 H new ATOM 0 HG13 ILE A 41 2.961 3.688 0.233 1.00 1.00 H new ATOM 0 HG21 ILE A 41 2.060 7.292 -0.425 1.00 1.00 H new ATOM 0 HG22 ILE A 41 1.863 7.689 1.299 1.00 1.00 H new ATOM 0 HG23 ILE A 41 3.476 7.303 0.654 1.00 1.00 H new ATOM 0 HD11 ILE A 41 2.689 4.049 -2.189 1.00 1.00 H new ATOM 0 HD12 ILE A 41 1.142 4.298 -1.347 1.00 1.00 H new ATOM 0 HD13 ILE A 41 2.096 5.700 -1.888 1.00 1.00 H new ATOM 630 N THR A 42 2.884 7.073 3.864 1.00 1.00 N ATOM 631 CA THR A 42 2.428 8.018 4.836 1.00 1.00 C ATOM 632 C THR A 42 2.644 9.433 4.419 1.00 1.00 C ATOM 633 O THR A 42 3.743 9.835 4.039 1.00 1.00 O ATOM 634 CB THR A 42 2.950 7.823 6.228 1.00 1.00 C ATOM 635 OG1 THR A 42 4.325 8.127 6.410 1.00 1.00 O ATOM 636 CG2 THR A 42 2.739 6.368 6.680 1.00 1.00 C ATOM 0 H THR A 42 3.881 7.139 3.657 1.00 1.00 H new ATOM 0 HA THR A 42 1.359 7.809 4.877 1.00 1.00 H new ATOM 0 HB THR A 42 2.380 8.534 6.826 1.00 1.00 H new ATOM 0 HG1 THR A 42 4.842 7.764 5.661 1.00 1.00 H new ATOM 0 HG21 THR A 42 3.123 6.242 7.692 1.00 1.00 H new ATOM 0 HG22 THR A 42 1.675 6.133 6.664 1.00 1.00 H new ATOM 0 HG23 THR A 42 3.269 5.697 6.005 1.00 1.00 H new ATOM 644 N PHE A 43 1.586 10.263 4.432 1.00 1.00 N ATOM 645 CA PHE A 43 1.676 11.680 4.261 1.00 1.00 C ATOM 646 C PHE A 43 1.083 12.427 5.407 1.00 1.00 C ATOM 647 O PHE A 43 0.451 11.858 6.294 1.00 1.00 O ATOM 648 CB PHE A 43 1.168 12.155 2.891 1.00 1.00 C ATOM 649 CG PHE A 43 0.067 11.296 2.371 1.00 1.00 C ATOM 650 CD1 PHE A 43 -1.192 11.363 2.919 1.00 1.00 C ATOM 651 CD2 PHE A 43 0.329 10.361 1.398 1.00 1.00 C ATOM 652 CE1 PHE A 43 -2.171 10.487 2.514 1.00 1.00 C ATOM 653 CE2 PHE A 43 -0.640 9.470 1.000 1.00 1.00 C ATOM 654 CZ PHE A 43 -1.892 9.528 1.568 1.00 1.00 C ATOM 0 H PHE A 43 0.630 9.934 4.567 1.00 1.00 H new ATOM 0 HA PHE A 43 2.739 11.923 4.266 1.00 1.00 H new ATOM 0 HB2 PHE A 43 0.817 13.184 2.972 1.00 1.00 H new ATOM 0 HB3 PHE A 43 1.994 12.155 2.179 1.00 1.00 H new ATOM 0 HD1 PHE A 43 -1.413 12.107 3.670 1.00 1.00 H new ATOM 0 HD2 PHE A 43 1.307 10.326 0.941 1.00 1.00 H new ATOM 0 HE1 PHE A 43 -3.162 10.552 2.940 1.00 1.00 H new ATOM 0 HE2 PHE A 43 -0.420 8.729 0.246 1.00 1.00 H new ATOM 0 HZ PHE A 43 -2.654 8.822 1.272 1.00 1.00 H new ATOM 664 N GLU A 44 1.292 13.755 5.446 1.00 1.00 N ATOM 665 CA GLU A 44 0.987 14.672 6.499 1.00 1.00 C ATOM 666 C GLU A 44 -0.371 14.627 7.112 1.00 1.00 C ATOM 667 O GLU A 44 -0.518 14.827 8.317 1.00 1.00 O ATOM 668 CB GLU A 44 1.224 16.095 5.965 1.00 1.00 C ATOM 669 CG GLU A 44 2.706 16.469 5.891 1.00 1.00 C ATOM 670 CD GLU A 44 3.143 17.271 7.109 1.00 1.00 C ATOM 671 OE1 GLU A 44 2.790 16.901 8.260 1.00 1.00 O ATOM 672 OE2 GLU A 44 3.823 18.312 6.909 1.00 1.00 O ATOM 0 H GLU A 44 1.720 14.234 4.654 1.00 1.00 H new ATOM 0 HA GLU A 44 1.644 14.366 7.313 1.00 1.00 H new ATOM 0 HB2 GLU A 44 0.783 16.182 4.972 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.707 16.808 6.607 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.307 15.563 5.816 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.891 17.049 4.987 1.00 1.00 H new ATOM 679 N ASN A 45 -1.433 14.371 6.328 1.00 1.00 N ATOM 680 CA ASN A 45 -2.773 14.301 6.821 1.00 1.00 C ATOM 681 C ASN A 45 -3.074 13.136 7.700 1.00 1.00 C ATOM 682 O ASN A 45 -4.151 13.066 8.290 1.00 1.00 O ATOM 683 CB ASN A 45 -3.778 14.344 5.657 1.00 1.00 C ATOM 684 CG ASN A 45 -3.942 15.790 5.216 1.00 1.00 C ATOM 685 OD1 ASN A 45 -4.587 16.573 5.912 1.00 1.00 O ATOM 686 ND2 ASN A 45 -3.340 16.182 4.062 1.00 1.00 N ATOM 0 H ASN A 45 -1.358 14.208 5.324 1.00 1.00 H new ATOM 0 HA ASN A 45 -2.875 15.179 7.458 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -3.423 13.733 4.827 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -4.738 13.932 5.969 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -3.416 17.150 3.751 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -2.812 15.508 3.508 1.00 1.00 H new ATOM 693 N GLY A 46 -2.138 12.186 7.870 1.00 1.00 N ATOM 694 CA GLY A 46 -2.266 11.120 8.814 1.00 1.00 C ATOM 695 C GLY A 46 -3.128 10.010 8.318 1.00 1.00 C ATOM 696 O GLY A 46 -3.793 9.309 9.076 1.00 1.00 O ATOM 0 H GLY A 46 -1.269 12.158 7.337 1.00 1.00 H new ATOM 0 HA2 GLY A 46 -1.276 10.728 9.049 1.00 1.00 H new ATOM 0 HA3 GLY A 46 -2.683 11.511 9.742 1.00 1.00 H new ATOM 700 N SER A 47 -3.119 9.823 6.985 1.00 1.00 N ATOM 701 CA SER A 47 -3.902 8.855 6.282 1.00 1.00 C ATOM 702 C SER A 47 -2.926 8.092 5.452 1.00 1.00 C ATOM 703 O SER A 47 -1.884 8.631 5.080 1.00 1.00 O ATOM 704 CB SER A 47 -4.965 9.518 5.389 1.00 1.00 C ATOM 705 OG SER A 47 -5.832 10.334 6.164 1.00 1.00 O ATOM 0 H SER A 47 -2.532 10.380 6.364 1.00 1.00 H new ATOM 0 HA SER A 47 -4.450 8.216 6.974 1.00 1.00 H new ATOM 0 HB2 SER A 47 -4.479 10.121 4.622 1.00 1.00 H new ATOM 0 HB3 SER A 47 -5.543 8.752 4.873 1.00 1.00 H new ATOM 0 HG SER A 47 -6.500 10.749 5.579 1.00 1.00 H new ATOM 711 N LYS A 48 -3.183 6.802 5.177 1.00 1.00 N ATOM 712 CA LYS A 48 -2.167 5.933 4.667 1.00 1.00 C ATOM 713 C LYS A 48 -2.651 4.991 3.620 1.00 1.00 C ATOM 714 O LYS A 48 -3.845 4.729 3.480 1.00 1.00 O ATOM 715 CB LYS A 48 -1.467 5.196 5.822 1.00 1.00 C ATOM 716 CG LYS A 48 -2.380 4.464 6.807 1.00 1.00 C ATOM 717 CD LYS A 48 -1.585 3.789 7.927 1.00 1.00 C ATOM 718 CE LYS A 48 -2.380 2.882 8.869 1.00 1.00 C ATOM 719 NZ LYS A 48 -3.213 3.632 9.836 1.00 1.00 N ATOM 0 H LYS A 48 -4.093 6.360 5.307 1.00 1.00 H new ATOM 0 HA LYS A 48 -1.439 6.566 4.160 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -0.772 4.472 5.396 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -0.872 5.919 6.379 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -3.088 5.171 7.239 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -2.963 3.714 6.273 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -0.789 3.198 7.474 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.106 4.566 8.523 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -3.021 2.228 8.278 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -1.688 2.241 9.416 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -3.726 2.963 10.445 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -2.604 4.237 10.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -3.895 4.224 9.321 1.00 1.00 H new ATOM 733 N ILE A 49 -1.718 4.467 2.804 1.00 1.00 N ATOM 734 CA ILE A 49 -1.958 3.503 1.776 1.00 1.00 C ATOM 735 C ILE A 49 -1.325 2.235 2.239 1.00 1.00 C ATOM 736 O ILE A 49 -0.226 2.287 2.788 1.00 1.00 O ATOM 737 CB ILE A 49 -1.306 3.869 0.476 1.00 1.00 C ATOM 738 CG1 ILE A 49 -1.446 5.357 0.114 1.00 1.00 C ATOM 739 CG2 ILE A 49 -1.790 2.967 -0.671 1.00 1.00 C ATOM 740 CD1 ILE A 49 -2.874 5.877 -0.055 1.00 1.00 C ATOM 0 H ILE A 49 -0.736 4.734 2.867 1.00 1.00 H new ATOM 0 HA ILE A 49 -3.032 3.432 1.606 1.00 1.00 H new ATOM 0 HB ILE A 49 -0.240 3.695 0.621 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -0.956 5.946 0.889 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -0.903 5.537 -0.814 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -1.297 3.261 -1.598 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -1.548 1.929 -0.444 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -2.869 3.071 -0.785 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -2.848 6.937 -0.309 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -3.370 5.325 -0.853 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -3.423 5.741 0.876 1.00 1.00 H new ATOM 752 N ILE A 50 -1.960 1.063 2.059 1.00 1.00 N ATOM 753 CA ILE A 50 -1.496 -0.184 2.585 1.00 1.00 C ATOM 754 C ILE A 50 -1.255 -1.163 1.489 1.00 1.00 C ATOM 755 O ILE A 50 -2.184 -1.585 0.800 1.00 1.00 O ATOM 756 CB ILE A 50 -2.483 -0.825 3.514 1.00 1.00 C ATOM 757 CG1 ILE A 50 -3.248 0.159 4.414 1.00 1.00 C ATOM 758 CG2 ILE A 50 -1.804 -1.934 4.335 1.00 1.00 C ATOM 759 CD1 ILE A 50 -2.401 0.870 5.469 1.00 1.00 C ATOM 0 H ILE A 50 -2.827 0.980 1.528 1.00 1.00 H new ATOM 0 HA ILE A 50 -0.580 0.054 3.125 1.00 1.00 H new ATOM 0 HB ILE A 50 -3.250 -1.266 2.878 1.00 1.00 H new ATOM 0 HG12 ILE A 50 -3.720 0.912 3.783 1.00 1.00 H new ATOM 0 HG13 ILE A 50 -4.049 -0.382 4.918 1.00 1.00 H new ATOM 0 HG21 ILE A 50 -2.534 -2.390 5.005 1.00 1.00 H new ATOM 0 HG22 ILE A 50 -1.406 -2.693 3.662 1.00 1.00 H new ATOM 0 HG23 ILE A 50 -0.991 -1.506 4.921 1.00 1.00 H new ATOM 0 HD11 ILE A 50 -3.033 1.541 6.051 1.00 1.00 H new ATOM 0 HD12 ILE A 50 -1.949 0.131 6.131 1.00 1.00 H new ATOM 0 HD13 ILE A 50 -1.616 1.445 4.978 1.00 1.00 H new ATOM 771 N ILE A 51 0.009 -1.571 1.284 1.00 1.00 N ATOM 772 CA ILE A 51 0.469 -2.382 0.200 1.00 1.00 C ATOM 773 C ILE A 51 1.192 -3.579 0.715 1.00 1.00 C ATOM 774 O ILE A 51 2.400 -3.598 0.938 1.00 1.00 O ATOM 775 CB ILE A 51 1.210 -1.503 -0.764 1.00 1.00 C ATOM 776 CG1 ILE A 51 0.155 -0.548 -1.347 1.00 1.00 C ATOM 777 CG2 ILE A 51 2.078 -2.208 -1.820 1.00 1.00 C ATOM 778 CD1 ILE A 51 0.128 -0.372 -2.866 1.00 1.00 C ATOM 0 H ILE A 51 0.763 -1.316 1.922 1.00 1.00 H new ATOM 0 HA ILE A 51 -0.349 -2.817 -0.374 1.00 1.00 H new ATOM 0 HB ILE A 51 1.992 -0.966 -0.227 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -0.828 -0.898 -1.031 1.00 1.00 H new ATOM 0 HG13 ILE A 51 0.304 0.433 -0.897 1.00 1.00 H new ATOM 0 HG21 ILE A 51 2.559 -1.462 -2.453 1.00 1.00 H new ATOM 0 HG22 ILE A 51 2.840 -2.808 -1.323 1.00 1.00 H new ATOM 0 HG23 ILE A 51 1.451 -2.855 -2.434 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -0.663 0.327 -3.137 1.00 1.00 H new ATOM 0 HD12 ILE A 51 1.088 0.017 -3.204 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -0.061 -1.335 -3.341 1.00 1.00 H new ATOM 790 N ASN A 52 0.409 -4.649 0.945 1.00 1.00 N ATOM 791 CA ASN A 52 0.784 -5.949 1.408 1.00 1.00 C ATOM 792 C ASN A 52 0.537 -6.965 0.347 1.00 1.00 C ATOM 793 O ASN A 52 -0.187 -6.753 -0.626 1.00 1.00 O ATOM 794 CB ASN A 52 -0.033 -6.364 2.644 1.00 1.00 C ATOM 795 CG ASN A 52 0.065 -5.363 3.787 1.00 1.00 C ATOM 796 OD1 ASN A 52 0.976 -4.548 3.923 1.00 1.00 O ATOM 797 ND2 ASN A 52 -0.928 -5.419 4.714 1.00 1.00 N ATOM 0 H ASN A 52 -0.597 -4.593 0.788 1.00 1.00 H new ATOM 0 HA ASN A 52 1.842 -5.902 1.665 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -1.079 -6.480 2.359 1.00 1.00 H new ATOM 0 HB3 ASN A 52 0.313 -7.338 2.991 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -0.914 -4.788 5.515 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -1.687 -6.092 4.608 1.00 1.00 H new ATOM 804 N ARG A 53 1.169 -8.146 0.468 1.00 1.00 N ATOM 805 CA ARG A 53 1.203 -9.104 -0.593 1.00 1.00 C ATOM 806 C ARG A 53 1.385 -10.496 -0.093 1.00 1.00 C ATOM 807 O ARG A 53 1.941 -10.746 0.975 1.00 1.00 O ATOM 808 CB ARG A 53 2.262 -8.594 -1.586 1.00 1.00 C ATOM 809 CG ARG A 53 2.981 -9.557 -2.534 1.00 1.00 C ATOM 810 CD ARG A 53 4.177 -10.284 -1.916 1.00 1.00 C ATOM 811 NE ARG A 53 4.817 -11.113 -2.974 1.00 1.00 N ATOM 812 CZ ARG A 53 6.011 -10.815 -3.566 1.00 1.00 C ATOM 813 NH1 ARG A 53 6.662 -9.643 -3.308 1.00 1.00 N ATOM 814 NH2 ARG A 53 6.588 -11.696 -4.434 1.00 1.00 N ATOM 0 H ARG A 53 1.662 -8.440 1.311 1.00 1.00 H new ATOM 0 HA ARG A 53 0.250 -9.186 -1.116 1.00 1.00 H new ATOM 0 HB2 ARG A 53 1.781 -7.836 -2.205 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.030 -8.088 -1.002 1.00 1.00 H new ATOM 0 HG2 ARG A 53 2.265 -10.299 -2.889 1.00 1.00 H new ATOM 0 HG3 ARG A 53 3.322 -9.000 -3.407 1.00 1.00 H new ATOM 0 HD2 ARG A 53 4.891 -9.566 -1.512 1.00 1.00 H new ATOM 0 HD3 ARG A 53 3.852 -10.912 -1.086 1.00 1.00 H new ATOM 0 HE ARG A 53 4.332 -11.958 -3.276 1.00 1.00 H new ATOM 0 HH11 ARG A 53 6.257 -8.967 -2.660 1.00 1.00 H new ATOM 0 HH12 ARG A 53 7.553 -9.444 -3.763 1.00 1.00 H new ATOM 0 HH21 ARG A 53 6.127 -12.582 -4.643 1.00 1.00 H new ATOM 0 HH22 ARG A 53 7.480 -11.469 -4.874 1.00 1.00 H new ATOM 828 N GLN A 54 0.858 -11.467 -0.860 1.00 1.00 N ATOM 829 CA GLN A 54 1.015 -12.866 -0.607 1.00 1.00 C ATOM 830 C GLN A 54 2.081 -13.385 -1.509 1.00 1.00 C ATOM 831 O GLN A 54 2.281 -12.950 -2.642 1.00 1.00 O ATOM 832 CB GLN A 54 -0.283 -13.673 -0.780 1.00 1.00 C ATOM 833 CG GLN A 54 -1.207 -13.222 -1.913 1.00 1.00 C ATOM 834 CD GLN A 54 -2.087 -12.056 -1.483 1.00 1.00 C ATOM 835 OE1 GLN A 54 -1.889 -10.903 -1.864 1.00 1.00 O ATOM 836 NE2 GLN A 54 -3.103 -12.363 -0.635 1.00 1.00 N ATOM 0 H GLN A 54 0.300 -11.269 -1.690 1.00 1.00 H new ATOM 0 HA GLN A 54 1.293 -12.989 0.440 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -0.019 -14.717 -0.947 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -0.841 -13.631 0.156 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -0.610 -12.930 -2.777 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -1.834 -14.056 -2.227 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -3.244 -13.328 -0.336 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -3.725 -11.629 -0.298 1.00 1.00 H new ATOM 845 N GLU A 55 2.856 -14.342 -0.968 1.00 1.00 N ATOM 846 CA GLU A 55 3.832 -15.096 -1.693 1.00 1.00 C ATOM 847 C GLU A 55 3.262 -16.075 -2.660 1.00 1.00 C ATOM 848 O GLU A 55 3.530 -15.882 -3.845 1.00 1.00 O ATOM 849 CB GLU A 55 4.920 -15.710 -0.794 1.00 1.00 C ATOM 850 CG GLU A 55 5.876 -14.693 -0.167 1.00 1.00 C ATOM 851 CD GLU A 55 6.981 -15.407 0.598 1.00 1.00 C ATOM 852 OE1 GLU A 55 6.659 -16.175 1.544 1.00 1.00 O ATOM 853 OE2 GLU A 55 8.180 -15.245 0.244 1.00 1.00 O ATOM 0 H GLU A 55 2.800 -14.602 0.017 1.00 1.00 H new ATOM 0 HA GLU A 55 4.334 -14.353 -2.313 1.00 1.00 H new ATOM 0 HB2 GLU A 55 4.438 -16.275 0.003 1.00 1.00 H new ATOM 0 HB3 GLU A 55 5.501 -16.420 -1.382 1.00 1.00 H new ATOM 0 HG2 GLU A 55 6.310 -14.065 -0.945 1.00 1.00 H new ATOM 0 HG3 GLU A 55 5.327 -14.034 0.505 1.00 1.00 H new ATOM 860 N PRO A 56 2.527 -17.106 -2.364 1.00 1.00 N ATOM 861 CA PRO A 56 1.844 -17.880 -3.360 1.00 1.00 C ATOM 862 C PRO A 56 0.589 -17.228 -3.832 1.00 1.00 C ATOM 863 O PRO A 56 0.031 -16.384 -3.132 1.00 1.00 O ATOM 864 CB PRO A 56 1.558 -19.204 -2.657 1.00 1.00 C ATOM 865 CG PRO A 56 1.335 -18.805 -1.188 1.00 1.00 C ATOM 866 CD PRO A 56 2.294 -17.615 -1.022 1.00 1.00 C ATOM 0 HA PRO A 56 2.441 -17.998 -4.265 1.00 1.00 H new ATOM 0 HB2 PRO A 56 0.680 -19.696 -3.075 1.00 1.00 H new ATOM 0 HB3 PRO A 56 2.392 -19.899 -2.760 1.00 1.00 H new ATOM 0 HG2 PRO A 56 0.300 -18.523 -0.996 1.00 1.00 H new ATOM 0 HG3 PRO A 56 1.575 -19.619 -0.505 1.00 1.00 H new ATOM 0 HD2 PRO A 56 1.858 -16.847 -0.383 1.00 1.00 H new ATOM 0 HD3 PRO A 56 3.228 -17.927 -0.554 1.00 1.00 H new ATOM 874 N LEU A 57 0.125 -17.602 -5.038 1.00 1.00 N ATOM 875 CA LEU A 57 -0.869 -16.942 -5.826 1.00 1.00 C ATOM 876 C LEU A 57 -0.397 -15.666 -6.435 1.00 1.00 C ATOM 877 O LEU A 57 0.299 -14.835 -5.856 1.00 1.00 O ATOM 878 CB LEU A 57 -2.298 -16.899 -5.259 1.00 1.00 C ATOM 879 CG LEU A 57 -2.954 -18.290 -5.246 1.00 1.00 C ATOM 880 CD1 LEU A 57 -2.756 -19.031 -3.913 1.00 1.00 C ATOM 881 CD2 LEU A 57 -4.456 -18.197 -5.563 1.00 1.00 C ATOM 0 H LEU A 57 0.478 -18.440 -5.500 1.00 1.00 H new ATOM 0 HA LEU A 57 -1.004 -17.631 -6.660 1.00 1.00 H new ATOM 0 HB2 LEU A 57 -2.274 -16.500 -4.245 1.00 1.00 H new ATOM 0 HB3 LEU A 57 -2.905 -16.218 -5.856 1.00 1.00 H new ATOM 0 HG LEU A 57 -2.452 -18.866 -6.023 1.00 1.00 H new ATOM 0 HD11 LEU A 57 -3.240 -20.006 -3.963 1.00 1.00 H new ATOM 0 HD12 LEU A 57 -1.691 -19.164 -3.726 1.00 1.00 H new ATOM 0 HD13 LEU A 57 -3.197 -18.448 -3.104 1.00 1.00 H new ATOM 0 HD21 LEU A 57 -4.894 -19.195 -5.547 1.00 1.00 H new ATOM 0 HD22 LEU A 57 -4.947 -17.573 -4.816 1.00 1.00 H new ATOM 0 HD23 LEU A 57 -4.593 -17.757 -6.551 1.00 1.00 H new ATOM 893 N HIS A 58 -0.725 -15.504 -7.729 1.00 1.00 N ATOM 894 CA HIS A 58 -0.257 -14.439 -8.562 1.00 1.00 C ATOM 895 C HIS A 58 -1.064 -13.194 -8.418 1.00 1.00 C ATOM 896 O HIS A 58 -1.499 -12.615 -9.412 1.00 1.00 O ATOM 897 CB HIS A 58 -0.285 -14.883 -10.035 1.00 1.00 C ATOM 898 CG HIS A 58 0.416 -16.191 -10.256 1.00 1.00 C ATOM 899 ND1 HIS A 58 -0.070 -17.112 -11.147 1.00 1.00 N ATOM 900 CD2 HIS A 58 1.513 -16.750 -9.678 1.00 1.00 C ATOM 901 CE1 HIS A 58 0.691 -18.189 -11.114 1.00 1.00 C ATOM 902 NE2 HIS A 58 1.654 -17.996 -10.231 1.00 1.00 N ATOM 0 H HIS A 58 -1.347 -16.147 -8.219 1.00 1.00 H new ATOM 0 HA HIS A 58 0.760 -14.212 -8.243 1.00 1.00 H new ATOM 0 HB2 HIS A 58 -1.320 -14.969 -10.365 1.00 1.00 H new ATOM 0 HB3 HIS A 58 0.183 -14.115 -10.651 1.00 1.00 H new ATOM 0 HD2 HIS A 58 2.149 -16.300 -8.930 1.00 1.00 H new ATOM 0 HE1 HIS A 58 0.550 -19.079 -11.709 1.00 1.00 H new ATOM 0 HE2 HIS A 58 2.386 -18.667 -9.998 1.00 1.00 H new ATOM 910 N GLN A 59 -1.301 -12.705 -7.188 1.00 1.00 N ATOM 911 CA GLN A 59 -2.094 -11.535 -6.968 1.00 1.00 C ATOM 912 C GLN A 59 -1.655 -10.868 -5.710 1.00 1.00 C ATOM 913 O GLN A 59 -1.015 -11.466 -4.847 1.00 1.00 O ATOM 914 CB GLN A 59 -3.606 -11.816 -6.938 1.00 1.00 C ATOM 915 CG GLN A 59 -4.068 -12.856 -5.916 1.00 1.00 C ATOM 916 CD GLN A 59 -4.897 -12.248 -4.793 1.00 1.00 C ATOM 917 OE1 GLN A 59 -6.115 -12.409 -4.737 1.00 1.00 O ATOM 918 NE2 GLN A 59 -4.234 -11.533 -3.845 1.00 1.00 N ATOM 0 H GLN A 59 -0.937 -13.127 -6.334 1.00 1.00 H new ATOM 0 HA GLN A 59 -1.933 -10.873 -7.819 1.00 1.00 H new ATOM 0 HB2 GLN A 59 -4.127 -10.880 -6.737 1.00 1.00 H new ATOM 0 HB3 GLN A 59 -3.915 -12.146 -7.930 1.00 1.00 H new ATOM 0 HG2 GLN A 59 -4.656 -13.621 -6.423 1.00 1.00 H new ATOM 0 HG3 GLN A 59 -3.196 -13.353 -5.490 1.00 1.00 H new ATOM 0 HE21 GLN A 59 -3.223 -11.412 -3.911 1.00 1.00 H new ATOM 0 HE22 GLN A 59 -4.747 -11.118 -3.068 1.00 1.00 H new ATOM 927 N VAL A 60 -1.975 -9.567 -5.588 1.00 1.00 N ATOM 928 CA VAL A 60 -1.476 -8.679 -4.584 1.00 1.00 C ATOM 929 C VAL A 60 -2.634 -8.036 -3.902 1.00 1.00 C ATOM 930 O VAL A 60 -3.746 -8.059 -4.428 1.00 1.00 O ATOM 931 CB VAL A 60 -0.550 -7.720 -5.270 1.00 1.00 C ATOM 932 CG1 VAL A 60 -0.169 -6.478 -4.446 1.00 1.00 C ATOM 933 CG2 VAL A 60 0.770 -8.424 -5.624 1.00 1.00 C ATOM 0 H VAL A 60 -2.621 -9.108 -6.230 1.00 1.00 H new ATOM 0 HA VAL A 60 -0.908 -9.182 -3.801 1.00 1.00 H new ATOM 0 HB VAL A 60 -1.110 -7.387 -6.144 1.00 1.00 H new ATOM 0 HG11 VAL A 60 0.503 -5.847 -5.028 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -1.069 -5.916 -4.197 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.330 -6.789 -3.528 1.00 1.00 H new ATOM 0 HG21 VAL A 60 1.436 -7.719 -6.122 1.00 1.00 H new ATOM 0 HG22 VAL A 60 1.244 -8.789 -4.713 1.00 1.00 H new ATOM 0 HG23 VAL A 60 0.568 -9.264 -6.289 1.00 1.00 H new ATOM 943 N TRP A 61 -2.498 -7.448 -2.701 1.00 1.00 N ATOM 944 CA TRP A 61 -3.558 -6.767 -2.023 1.00 1.00 C ATOM 945 C TRP A 61 -3.537 -5.308 -2.327 1.00 1.00 C ATOM 946 O TRP A 61 -2.484 -4.775 -2.676 1.00 1.00 O ATOM 947 CB TRP A 61 -3.516 -7.152 -0.534 1.00 1.00 C ATOM 948 CG TRP A 61 -3.438 -6.066 0.510 1.00 1.00 C ATOM 949 CD1 TRP A 61 -2.566 -5.016 0.523 1.00 1.00 C ATOM 950 CD2 TRP A 61 -4.298 -5.889 1.652 1.00 1.00 C ATOM 951 NE1 TRP A 61 -2.842 -4.177 1.570 1.00 1.00 N ATOM 952 CE2 TRP A 61 -3.894 -4.706 2.282 1.00 1.00 C ATOM 953 CE3 TRP A 61 -5.341 -6.631 2.135 1.00 1.00 C ATOM 954 CZ2 TRP A 61 -4.541 -4.268 3.405 1.00 1.00 C ATOM 955 CZ3 TRP A 61 -5.996 -6.161 3.248 1.00 1.00 C ATOM 956 CH2 TRP A 61 -5.607 -5.000 3.873 1.00 1.00 C ATOM 0 H TRP A 61 -1.619 -7.446 -2.183 1.00 1.00 H new ATOM 0 HA TRP A 61 -4.536 -7.083 -2.386 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -4.407 -7.744 -0.324 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -2.657 -7.807 -0.390 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -1.770 -4.868 -0.192 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -2.352 -3.309 1.785 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -5.639 -7.553 1.659 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -4.222 -3.369 3.912 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -6.835 -6.716 3.640 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -6.146 -4.658 4.744 1.00 1.00 H new ATOM 967 N LEU A 62 -4.643 -4.547 -2.249 1.00 1.00 N ATOM 968 CA LEU A 62 -4.542 -3.122 -2.329 1.00 1.00 C ATOM 969 C LEU A 62 -5.496 -2.427 -1.422 1.00 1.00 C ATOM 970 O LEU A 62 -6.671 -2.289 -1.760 1.00 1.00 O ATOM 971 CB LEU A 62 -4.794 -2.645 -3.769 1.00 1.00 C ATOM 972 CG LEU A 62 -3.920 -1.483 -4.270 1.00 1.00 C ATOM 973 CD1 LEU A 62 -4.531 -0.870 -5.543 1.00 1.00 C ATOM 974 CD2 LEU A 62 -3.668 -0.359 -3.251 1.00 1.00 C ATOM 0 H LEU A 62 -5.590 -4.908 -2.133 1.00 1.00 H new ATOM 0 HA LEU A 62 -3.529 -2.869 -2.015 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.651 -3.493 -4.439 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -5.839 -2.346 -3.851 1.00 1.00 H new ATOM 0 HG LEU A 62 -2.948 -1.936 -4.466 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.904 -0.048 -5.888 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -4.592 -1.632 -6.320 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -5.531 -0.495 -5.323 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -3.042 0.409 -3.704 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -4.620 0.079 -2.950 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -3.164 -0.768 -2.375 1.00 1.00 H new ATOM 986 N ALA A 63 -5.079 -1.913 -0.251 1.00 1.00 N ATOM 987 CA ALA A 63 -5.936 -1.137 0.590 1.00 1.00 C ATOM 988 C ALA A 63 -5.559 0.300 0.703 1.00 1.00 C ATOM 989 O ALA A 63 -4.411 0.718 0.561 1.00 1.00 O ATOM 990 CB ALA A 63 -6.121 -1.764 1.982 1.00 1.00 C ATOM 0 H ALA A 63 -4.136 -2.037 0.117 1.00 1.00 H new ATOM 0 HA ALA A 63 -6.896 -1.155 0.075 1.00 1.00 H new ATOM 0 HB1 ALA A 63 -6.780 -1.135 2.580 1.00 1.00 H new ATOM 0 HB2 ALA A 63 -6.561 -2.756 1.879 1.00 1.00 H new ATOM 0 HB3 ALA A 63 -5.153 -1.847 2.475 1.00 1.00 H new ATOM 996 N THR A 64 -6.580 1.152 0.905 1.00 1.00 N ATOM 997 CA THR A 64 -6.480 2.572 1.044 1.00 1.00 C ATOM 998 C THR A 64 -7.598 3.081 1.888 1.00 1.00 C ATOM 999 O THR A 64 -7.442 3.216 3.100 1.00 1.00 O ATOM 1000 CB THR A 64 -6.425 3.324 -0.253 1.00 1.00 C ATOM 1001 OG1 THR A 64 -5.295 2.922 -1.015 1.00 1.00 O ATOM 1002 CG2 THR A 64 -6.226 4.825 0.015 1.00 1.00 C ATOM 0 H THR A 64 -7.543 0.824 0.976 1.00 1.00 H new ATOM 0 HA THR A 64 -5.521 2.756 1.528 1.00 1.00 H new ATOM 0 HB THR A 64 -7.357 3.122 -0.781 1.00 1.00 H new ATOM 0 HG1 THR A 64 -4.814 2.214 -0.538 1.00 1.00 H new ATOM 0 HG21 THR A 64 -6.187 5.362 -0.933 1.00 1.00 H new ATOM 0 HG22 THR A 64 -7.057 5.201 0.612 1.00 1.00 H new ATOM 0 HG23 THR A 64 -5.292 4.977 0.556 1.00 1.00 H new ATOM 1010 N LYS A 65 -8.767 3.388 1.299 1.00 1.00 N ATOM 1011 CA LYS A 65 -9.840 4.062 1.962 1.00 1.00 C ATOM 1012 C LYS A 65 -11.158 3.394 1.773 1.00 1.00 C ATOM 1013 O LYS A 65 -11.856 3.092 2.739 1.00 1.00 O ATOM 1014 CB LYS A 65 -9.958 5.551 1.592 1.00 1.00 C ATOM 1015 CG LYS A 65 -9.833 6.489 2.794 1.00 1.00 C ATOM 1016 CD LYS A 65 -10.890 6.327 3.887 1.00 1.00 C ATOM 1017 CE LYS A 65 -10.300 5.851 5.215 1.00 1.00 C ATOM 1018 NZ LYS A 65 -11.330 5.757 6.272 1.00 1.00 N ATOM 0 H LYS A 65 -8.973 3.159 0.327 1.00 1.00 H new ATOM 0 HA LYS A 65 -9.572 4.001 3.017 1.00 1.00 H new ATOM 0 HB2 LYS A 65 -9.185 5.799 0.865 1.00 1.00 H new ATOM 0 HB3 LYS A 65 -10.919 5.722 1.106 1.00 1.00 H new ATOM 0 HG2 LYS A 65 -8.850 6.343 3.243 1.00 1.00 H new ATOM 0 HG3 LYS A 65 -9.868 7.517 2.432 1.00 1.00 H new ATOM 0 HD2 LYS A 65 -11.397 7.280 4.040 1.00 1.00 H new ATOM 0 HD3 LYS A 65 -11.645 5.615 3.554 1.00 1.00 H new ATOM 0 HE2 LYS A 65 -9.832 4.876 5.076 1.00 1.00 H new ATOM 0 HE3 LYS A 65 -9.516 6.539 5.532 1.00 1.00 H new ATOM 0 HZ1 LYS A 65 -10.891 5.431 7.157 1.00 1.00 H new ATOM 0 HZ2 LYS A 65 -11.759 6.692 6.423 1.00 1.00 H new ATOM 0 HZ3 LYS A 65 -12.065 5.081 5.981 1.00 1.00 H new ATOM 1032 N GLN A 66 -11.582 3.157 0.519 1.00 1.00 N ATOM 1033 CA GLN A 66 -12.906 2.696 0.234 1.00 1.00 C ATOM 1034 C GLN A 66 -13.172 1.284 0.633 1.00 1.00 C ATOM 1035 O GLN A 66 -14.317 0.928 0.907 1.00 1.00 O ATOM 1036 CB GLN A 66 -13.176 2.785 -1.276 1.00 1.00 C ATOM 1037 CG GLN A 66 -13.415 4.208 -1.787 1.00 1.00 C ATOM 1038 CD GLN A 66 -13.544 4.172 -3.303 1.00 1.00 C ATOM 1039 OE1 GLN A 66 -12.557 4.193 -4.036 1.00 1.00 O ATOM 1040 NE2 GLN A 66 -14.813 4.059 -3.781 1.00 1.00 N ATOM 0 H GLN A 66 -10.999 3.287 -0.308 1.00 1.00 H new ATOM 0 HA GLN A 66 -13.557 3.342 0.822 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -12.329 2.356 -1.811 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -14.046 2.174 -1.515 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -14.320 4.622 -1.341 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -12.590 4.857 -1.494 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -15.602 4.046 -3.135 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -14.975 3.987 -4.785 1.00 1.00 H new ATOM 1049 N GLY A 67 -12.147 0.420 0.732 1.00 1.00 N ATOM 1050 CA GLY A 67 -12.425 -0.887 1.238 1.00 1.00 C ATOM 1051 C GLY A 67 -11.268 -1.827 1.264 1.00 1.00 C ATOM 1052 O GLY A 67 -11.109 -2.613 2.198 1.00 1.00 O ATOM 0 H GLY A 67 -11.177 0.609 0.478 1.00 1.00 H new ATOM 0 HA2 GLY A 67 -12.814 -0.790 2.252 1.00 1.00 H new ATOM 0 HA3 GLY A 67 -13.217 -1.330 0.634 1.00 1.00 H new ATOM 1056 N GLY A 68 -10.433 -1.807 0.210 1.00 1.00 N ATOM 1057 CA GLY A 68 -9.363 -2.743 0.057 1.00 1.00 C ATOM 1058 C GLY A 68 -9.725 -3.858 -0.861 1.00 1.00 C ATOM 1059 O GLY A 68 -10.515 -4.747 -0.544 1.00 1.00 O ATOM 0 H GLY A 68 -10.502 -1.129 -0.549 1.00 1.00 H new ATOM 0 HA2 GLY A 68 -8.483 -2.228 -0.328 1.00 1.00 H new ATOM 0 HA3 GLY A 68 -9.094 -3.149 1.032 1.00 1.00 H new ATOM 1063 N TYR A 69 -9.144 -3.817 -2.073 1.00 1.00 N ATOM 1064 CA TYR A 69 -9.510 -4.620 -3.198 1.00 1.00 C ATOM 1065 C TYR A 69 -8.246 -5.243 -3.680 1.00 1.00 C ATOM 1066 O TYR A 69 -7.220 -4.570 -3.778 1.00 1.00 O ATOM 1067 CB TYR A 69 -10.077 -3.718 -4.308 1.00 1.00 C ATOM 1068 CG TYR A 69 -11.199 -2.836 -3.881 1.00 1.00 C ATOM 1069 CD1 TYR A 69 -12.135 -3.216 -2.947 1.00 1.00 C ATOM 1070 CD2 TYR A 69 -11.304 -1.582 -4.433 1.00 1.00 C ATOM 1071 CE1 TYR A 69 -13.137 -2.362 -2.551 1.00 1.00 C ATOM 1072 CE2 TYR A 69 -12.297 -0.714 -4.047 1.00 1.00 C ATOM 1073 CZ TYR A 69 -13.213 -1.102 -3.098 1.00 1.00 C ATOM 1074 OH TYR A 69 -14.225 -0.213 -2.682 1.00 1.00 O ATOM 0 H TYR A 69 -8.371 -3.184 -2.279 1.00 1.00 H new ATOM 0 HA TYR A 69 -10.261 -5.365 -2.934 1.00 1.00 H new ATOM 0 HB2 TYR A 69 -9.272 -3.096 -4.698 1.00 1.00 H new ATOM 0 HB3 TYR A 69 -10.420 -4.347 -5.129 1.00 1.00 H new ATOM 0 HD1 TYR A 69 -12.082 -4.205 -2.516 1.00 1.00 H new ATOM 0 HD2 TYR A 69 -10.593 -1.273 -5.184 1.00 1.00 H new ATOM 0 HE1 TYR A 69 -13.861 -2.679 -1.814 1.00 1.00 H new ATOM 0 HE2 TYR A 69 -12.358 0.270 -4.488 1.00 1.00 H new ATOM 0 HH TYR A 69 -14.135 0.634 -3.166 1.00 1.00 H new ATOM 1084 N HIS A 70 -8.225 -6.546 -4.010 1.00 1.00 N ATOM 1085 CA HIS A 70 -7.014 -7.147 -4.475 1.00 1.00 C ATOM 1086 C HIS A 70 -6.783 -6.933 -5.932 1.00 1.00 C ATOM 1087 O HIS A 70 -7.638 -6.490 -6.695 1.00 1.00 O ATOM 1088 CB HIS A 70 -6.828 -8.605 -4.023 1.00 1.00 C ATOM 1089 CG HIS A 70 -7.920 -9.577 -4.356 1.00 1.00 C ATOM 1090 ND1 HIS A 70 -8.094 -10.119 -5.603 1.00 1.00 N ATOM 1091 CD2 HIS A 70 -8.857 -10.139 -3.546 1.00 1.00 C ATOM 1092 CE1 HIS A 70 -9.106 -10.964 -5.557 1.00 1.00 C ATOM 1093 NE2 HIS A 70 -9.595 -10.985 -4.332 1.00 1.00 N ATOM 0 H HIS A 70 -9.028 -7.173 -3.957 1.00 1.00 H new ATOM 0 HA HIS A 70 -6.212 -6.607 -3.972 1.00 1.00 H new ATOM 0 HB2 HIS A 70 -5.901 -8.977 -4.460 1.00 1.00 H new ATOM 0 HB3 HIS A 70 -6.694 -8.607 -2.941 1.00 1.00 H new ATOM 0 HD1 HIS A 70 -7.534 -9.905 -6.429 1.00 1.00 H new ATOM 0 HD2 HIS A 70 -8.993 -9.955 -2.491 1.00 1.00 H new ATOM 0 HE1 HIS A 70 -9.475 -11.545 -6.389 1.00 1.00 H new ATOM 1101 N PHE A 71 -5.499 -7.095 -6.301 1.00 1.00 N ATOM 1102 CA PHE A 71 -4.845 -6.551 -7.451 1.00 1.00 C ATOM 1103 C PHE A 71 -4.416 -7.732 -8.251 1.00 1.00 C ATOM 1104 O PHE A 71 -3.549 -8.499 -7.835 1.00 1.00 O ATOM 1105 CB PHE A 71 -3.701 -5.777 -6.774 1.00 1.00 C ATOM 1106 CG PHE A 71 -2.709 -5.010 -7.579 1.00 1.00 C ATOM 1107 CD1 PHE A 71 -1.681 -5.652 -8.229 1.00 1.00 C ATOM 1108 CD2 PHE A 71 -2.651 -3.644 -7.441 1.00 1.00 C ATOM 1109 CE1 PHE A 71 -0.630 -4.944 -8.764 1.00 1.00 C ATOM 1110 CE2 PHE A 71 -1.597 -2.928 -7.958 1.00 1.00 C ATOM 1111 CZ PHE A 71 -0.591 -3.575 -8.636 1.00 1.00 C ATOM 0 H PHE A 71 -4.861 -7.660 -5.740 1.00 1.00 H new ATOM 0 HA PHE A 71 -5.399 -5.905 -8.132 1.00 1.00 H new ATOM 0 HB2 PHE A 71 -4.160 -5.074 -6.079 1.00 1.00 H new ATOM 0 HB3 PHE A 71 -3.140 -6.495 -6.177 1.00 1.00 H new ATOM 0 HD1 PHE A 71 -1.699 -6.728 -8.321 1.00 1.00 H new ATOM 0 HD2 PHE A 71 -3.443 -3.126 -6.920 1.00 1.00 H new ATOM 0 HE1 PHE A 71 0.163 -5.462 -9.283 1.00 1.00 H new ATOM 0 HE2 PHE A 71 -1.559 -1.856 -7.831 1.00 1.00 H new ATOM 0 HZ PHE A 71 0.225 -3.012 -9.065 1.00 1.00 H new ATOM 1121 N ASP A 72 -5.028 -7.917 -9.435 1.00 1.00 N ATOM 1122 CA ASP A 72 -4.896 -9.101 -10.228 1.00 1.00 C ATOM 1123 C ASP A 72 -4.472 -8.683 -11.593 1.00 1.00 C ATOM 1124 O ASP A 72 -4.506 -7.508 -11.956 1.00 1.00 O ATOM 1125 CB ASP A 72 -6.229 -9.866 -10.299 1.00 1.00 C ATOM 1126 CG ASP A 72 -6.588 -10.586 -9.006 1.00 1.00 C ATOM 1127 OD1 ASP A 72 -6.757 -9.973 -7.919 1.00 1.00 O ATOM 1128 OD2 ASP A 72 -6.760 -11.831 -9.100 1.00 1.00 O ATOM 0 H ASP A 72 -5.638 -7.216 -9.856 1.00 1.00 H new ATOM 0 HA ASP A 72 -4.159 -9.769 -9.781 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -7.027 -9.167 -10.549 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -6.178 -10.594 -11.108 1.00 1.00 H new ATOM 1133 N LEU A 73 -3.999 -9.623 -12.432 1.00 1.00 N ATOM 1134 CA LEU A 73 -3.374 -9.308 -13.679 1.00 1.00 C ATOM 1135 C LEU A 73 -4.226 -9.757 -14.816 1.00 1.00 C ATOM 1136 O LEU A 73 -4.580 -10.929 -14.930 1.00 1.00 O ATOM 1137 CB LEU A 73 -2.009 -10.015 -13.741 1.00 1.00 C ATOM 1138 CG LEU A 73 -1.135 -9.717 -14.970 1.00 1.00 C ATOM 1139 CD1 LEU A 73 -0.746 -8.230 -15.057 1.00 1.00 C ATOM 1140 CD2 LEU A 73 0.134 -10.586 -14.943 1.00 1.00 C ATOM 0 H LEU A 73 -4.052 -10.623 -12.239 1.00 1.00 H new ATOM 0 HA LEU A 73 -3.240 -8.229 -13.755 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.445 -9.745 -12.848 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -2.180 -11.091 -13.697 1.00 1.00 H new ATOM 0 HG LEU A 73 -1.726 -9.958 -15.853 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.129 -8.066 -15.941 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.648 -7.621 -15.126 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.186 -7.948 -14.166 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.745 -10.366 -15.819 1.00 1.00 H new ATOM 0 HD22 LEU A 73 0.704 -10.370 -14.039 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -0.146 -11.639 -14.952 1.00 1.00 H new ATOM 1152 N LYS A 74 -4.565 -8.831 -15.733 1.00 1.00 N ATOM 1153 CA LYS A 74 -5.048 -9.166 -17.036 1.00 1.00 C ATOM 1154 C LYS A 74 -3.919 -9.645 -17.879 1.00 1.00 C ATOM 1155 O LYS A 74 -3.909 -10.774 -18.370 1.00 1.00 O ATOM 1156 CB LYS A 74 -5.745 -7.941 -17.652 1.00 1.00 C ATOM 1157 CG LYS A 74 -6.832 -8.267 -18.680 1.00 1.00 C ATOM 1158 CD LYS A 74 -6.364 -9.080 -19.888 1.00 1.00 C ATOM 1159 CE LYS A 74 -7.436 -9.303 -20.957 1.00 1.00 C ATOM 1160 NZ LYS A 74 -6.902 -10.235 -21.975 1.00 1.00 N ATOM 0 H LYS A 74 -4.502 -7.827 -15.564 1.00 1.00 H new ATOM 0 HA LYS A 74 -5.779 -9.972 -16.973 1.00 1.00 H new ATOM 0 HB2 LYS A 74 -6.189 -7.352 -16.849 1.00 1.00 H new ATOM 0 HB3 LYS A 74 -4.991 -7.314 -18.128 1.00 1.00 H new ATOM 0 HG2 LYS A 74 -7.630 -8.816 -18.180 1.00 1.00 H new ATOM 0 HG3 LYS A 74 -7.264 -7.332 -19.037 1.00 1.00 H new ATOM 0 HD2 LYS A 74 -5.514 -8.573 -20.344 1.00 1.00 H new ATOM 0 HD3 LYS A 74 -6.008 -10.050 -19.541 1.00 1.00 H new ATOM 0 HE2 LYS A 74 -8.340 -9.713 -20.506 1.00 1.00 H new ATOM 0 HE3 LYS A 74 -7.712 -8.355 -21.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 74 -7.621 -10.396 -22.709 1.00 1.00 H new ATOM 0 HZ2 LYS A 74 -6.050 -9.825 -22.408 1.00 1.00 H new ATOM 0 HZ3 LYS A 74 -6.659 -11.140 -21.524 1.00 1.00 H new ATOM 1174 N GLY A 75 -2.889 -8.799 -18.061 1.00 1.00 N ATOM 1175 CA GLY A 75 -1.729 -9.131 -18.829 1.00 1.00 C ATOM 1176 C GLY A 75 -0.746 -8.013 -18.846 1.00 1.00 C ATOM 1177 O GLY A 75 0.385 -8.138 -18.380 1.00 1.00 O ATOM 0 H GLY A 75 -2.862 -7.860 -17.664 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -1.260 -10.023 -18.414 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -2.024 -9.372 -19.850 1.00 1.00 H new ATOM 1181 N ASP A 76 -1.166 -6.858 -19.395 1.00 1.00 N ATOM 1182 CA ASP A 76 -0.406 -5.651 -19.504 1.00 1.00 C ATOM 1183 C ASP A 76 -0.785 -4.706 -18.416 1.00 1.00 C ATOM 1184 O ASP A 76 -0.058 -3.772 -18.081 1.00 1.00 O ATOM 1185 CB ASP A 76 -0.721 -5.084 -20.899 1.00 1.00 C ATOM 1186 CG ASP A 76 0.038 -3.828 -21.306 1.00 1.00 C ATOM 1187 OD1 ASP A 76 1.248 -3.679 -20.986 1.00 1.00 O ATOM 1188 OD2 ASP A 76 -0.587 -3.001 -22.022 1.00 1.00 O ATOM 0 H ASP A 76 -2.102 -6.763 -19.790 1.00 1.00 H new ATOM 0 HA ASP A 76 0.665 -5.823 -19.395 1.00 1.00 H new ATOM 0 HB2 ASP A 76 -0.518 -5.860 -21.637 1.00 1.00 H new ATOM 0 HB3 ASP A 76 -1.788 -4.869 -20.947 1.00 1.00 H new ATOM 1193 N GLU A 77 -1.954 -4.923 -17.788 1.00 1.00 N ATOM 1194 CA GLU A 77 -2.564 -4.021 -16.860 1.00 1.00 C ATOM 1195 C GLU A 77 -2.883 -4.890 -15.694 1.00 1.00 C ATOM 1196 O GLU A 77 -3.492 -5.952 -15.829 1.00 1.00 O ATOM 1197 CB GLU A 77 -3.829 -3.382 -17.459 1.00 1.00 C ATOM 1198 CG GLU A 77 -4.251 -2.067 -16.801 1.00 1.00 C ATOM 1199 CD GLU A 77 -3.590 -0.847 -17.430 1.00 1.00 C ATOM 1200 OE1 GLU A 77 -2.337 -0.722 -17.419 1.00 1.00 O ATOM 1201 OE2 GLU A 77 -4.330 0.017 -17.969 1.00 1.00 O ATOM 0 H GLU A 77 -2.502 -5.771 -17.935 1.00 1.00 H new ATOM 0 HA GLU A 77 -1.923 -3.181 -16.592 1.00 1.00 H new ATOM 0 HB2 GLU A 77 -3.662 -3.204 -18.521 1.00 1.00 H new ATOM 0 HB3 GLU A 77 -4.651 -4.093 -17.380 1.00 1.00 H new ATOM 0 HG2 GLU A 77 -5.334 -1.963 -16.871 1.00 1.00 H new ATOM 0 HG3 GLU A 77 -4.002 -2.102 -15.740 1.00 1.00 H new ATOM 1208 N TRP A 78 -2.452 -4.455 -14.496 1.00 1.00 N ATOM 1209 CA TRP A 78 -2.971 -4.956 -13.262 1.00 1.00 C ATOM 1210 C TRP A 78 -4.290 -4.285 -13.087 1.00 1.00 C ATOM 1211 O TRP A 78 -4.432 -3.082 -13.301 1.00 1.00 O ATOM 1212 CB TRP A 78 -2.011 -4.706 -12.087 1.00 1.00 C ATOM 1213 CG TRP A 78 -0.746 -5.528 -12.141 1.00 1.00 C ATOM 1214 CD1 TRP A 78 0.455 -5.248 -12.726 1.00 1.00 C ATOM 1215 CD2 TRP A 78 -0.590 -6.811 -11.506 1.00 1.00 C ATOM 1216 NE1 TRP A 78 1.351 -6.255 -12.481 1.00 1.00 N ATOM 1217 CE2 TRP A 78 0.731 -7.222 -11.725 1.00 1.00 C ATOM 1218 CE3 TRP A 78 -1.448 -7.580 -10.769 1.00 1.00 C ATOM 1219 CZ2 TRP A 78 1.185 -8.407 -11.212 1.00 1.00 C ATOM 1220 CZ3 TRP A 78 -0.981 -8.767 -10.253 1.00 1.00 C ATOM 1221 CH2 TRP A 78 0.313 -9.174 -10.475 1.00 1.00 C ATOM 0 H TRP A 78 -1.730 -3.743 -14.383 1.00 1.00 H new ATOM 0 HA TRP A 78 -3.086 -6.040 -13.282 1.00 1.00 H new ATOM 0 HB2 TRP A 78 -1.745 -3.649 -12.068 1.00 1.00 H new ATOM 0 HB3 TRP A 78 -2.532 -4.921 -11.154 1.00 1.00 H new ATOM 0 HD1 TRP A 78 0.669 -4.359 -13.301 1.00 1.00 H new ATOM 0 HE1 TRP A 78 2.318 -6.283 -12.806 1.00 1.00 H new ATOM 0 HE3 TRP A 78 -2.466 -7.264 -10.596 1.00 1.00 H new ATOM 0 HZ2 TRP A 78 2.201 -8.731 -11.381 1.00 1.00 H new ATOM 0 HZ3 TRP A 78 -1.641 -9.388 -9.665 1.00 1.00 H new ATOM 0 HH2 TRP A 78 0.651 -10.113 -10.063 1.00 1.00 H new ATOM 1232 N ILE A 79 -5.361 -5.049 -12.810 1.00 1.00 N ATOM 1233 CA ILE A 79 -6.701 -4.550 -12.743 1.00 1.00 C ATOM 1234 C ILE A 79 -7.291 -5.064 -11.474 1.00 1.00 C ATOM 1235 O ILE A 79 -6.874 -6.071 -10.906 1.00 1.00 O ATOM 1236 CB ILE A 79 -7.499 -4.865 -13.973 1.00 1.00 C ATOM 1237 CG1 ILE A 79 -8.127 -6.266 -14.067 1.00 1.00 C ATOM 1238 CG2 ILE A 79 -6.735 -4.510 -15.258 1.00 1.00 C ATOM 1239 CD1 ILE A 79 -7.167 -7.451 -13.970 1.00 1.00 C ATOM 0 H ILE A 79 -5.293 -6.050 -12.626 1.00 1.00 H new ATOM 0 HA ILE A 79 -6.711 -3.460 -12.724 1.00 1.00 H new ATOM 0 HB ILE A 79 -8.364 -4.211 -13.865 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -8.868 -6.362 -13.274 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -8.662 -6.337 -15.014 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -7.349 -4.754 -16.125 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -6.507 -3.444 -15.263 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -5.807 -5.080 -15.299 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -7.729 -8.382 -14.050 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -6.439 -7.396 -14.779 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.648 -7.421 -13.012 1.00 1.00 H new ATOM 1251 N CYS A 80 -8.275 -4.338 -10.914 1.00 1.00 N ATOM 1252 CA CYS A 80 -8.804 -4.644 -9.622 1.00 1.00 C ATOM 1253 C CYS A 80 -9.799 -5.753 -9.650 1.00 1.00 C ATOM 1254 O CYS A 80 -10.730 -5.733 -10.453 1.00 1.00 O ATOM 1255 CB CYS A 80 -9.482 -3.430 -8.963 1.00 1.00 C ATOM 1256 SG CYS A 80 -8.513 -1.912 -9.213 1.00 1.00 S ATOM 0 H CYS A 80 -8.708 -3.531 -11.362 1.00 1.00 H new ATOM 0 HA CYS A 80 -7.935 -4.949 -9.040 1.00 1.00 H new ATOM 0 HB2 CYS A 80 -10.481 -3.299 -9.379 1.00 1.00 H new ATOM 0 HB3 CYS A 80 -9.603 -3.614 -7.896 1.00 1.00 H new ATOM 0 HG CYS A 80 -7.670 -1.769 -8.234 1.00 1.00 H new ATOM 1262 N ASP A 81 -9.722 -6.765 -8.769 1.00 1.00 N ATOM 1263 CA ASP A 81 -10.686 -7.821 -8.722 1.00 1.00 C ATOM 1264 C ASP A 81 -11.842 -7.448 -7.861 1.00 1.00 C ATOM 1265 O ASP A 81 -12.104 -8.042 -6.817 1.00 1.00 O ATOM 1266 CB ASP A 81 -9.976 -9.096 -8.234 1.00 1.00 C ATOM 1267 CG ASP A 81 -10.727 -10.394 -8.498 1.00 1.00 C ATOM 1268 OD1 ASP A 81 -11.038 -10.701 -9.679 1.00 1.00 O ATOM 1269 OD2 ASP A 81 -10.998 -11.149 -7.526 1.00 1.00 O ATOM 0 H ASP A 81 -8.978 -6.853 -8.077 1.00 1.00 H new ATOM 0 HA ASP A 81 -11.099 -8.005 -9.714 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -8.999 -9.156 -8.714 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -9.800 -9.008 -7.162 1.00 1.00 H new ATOM 1274 N ARG A 82 -12.580 -6.394 -8.253 1.00 1.00 N ATOM 1275 CA ARG A 82 -13.667 -5.872 -7.484 1.00 1.00 C ATOM 1276 C ARG A 82 -14.648 -5.141 -8.335 1.00 1.00 C ATOM 1277 O ARG A 82 -15.035 -5.627 -9.396 1.00 1.00 O ATOM 1278 CB ARG A 82 -13.153 -5.113 -6.249 1.00 1.00 C ATOM 1279 CG ARG A 82 -13.618 -5.698 -4.915 1.00 1.00 C ATOM 1280 CD ARG A 82 -15.084 -5.434 -4.565 1.00 1.00 C ATOM 1281 NE ARG A 82 -15.226 -5.708 -3.108 1.00 1.00 N ATOM 1282 CZ ARG A 82 -16.406 -5.615 -2.426 1.00 1.00 C ATOM 1283 NH1 ARG A 82 -17.612 -5.497 -3.055 1.00 1.00 N ATOM 1284 NH2 ARG A 82 -16.352 -5.646 -1.062 1.00 1.00 N ATOM 0 H ARG A 82 -12.417 -5.892 -9.126 1.00 1.00 H new ATOM 0 HA ARG A 82 -14.249 -6.698 -7.076 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -12.063 -5.105 -6.269 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -13.481 -4.075 -6.312 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -13.453 -6.775 -4.931 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -12.992 -5.292 -4.120 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -15.359 -4.404 -4.795 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -15.744 -6.077 -5.147 1.00 1.00 H new ATOM 0 HE ARG A 82 -14.392 -5.982 -2.588 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -17.656 -5.475 -4.074 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -18.469 -5.430 -2.506 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -15.453 -5.736 -0.589 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -17.211 -5.579 -0.516 1.00 1.00 H new ATOM 1298 N SER A 83 -15.143 -3.956 -7.933 1.00 1.00 N ATOM 1299 CA SER A 83 -16.223 -3.286 -8.584 1.00 1.00 C ATOM 1300 C SER A 83 -15.800 -2.430 -9.729 1.00 1.00 C ATOM 1301 O SER A 83 -16.627 -2.001 -10.531 1.00 1.00 O ATOM 1302 CB SER A 83 -17.061 -2.466 -7.587 1.00 1.00 C ATOM 1303 OG SER A 83 -16.264 -1.579 -6.816 1.00 1.00 O ATOM 0 H SER A 83 -14.778 -3.448 -7.127 1.00 1.00 H new ATOM 0 HA SER A 83 -16.841 -4.081 -9.002 1.00 1.00 H new ATOM 0 HB2 SER A 83 -17.813 -1.895 -8.131 1.00 1.00 H new ATOM 0 HB3 SER A 83 -17.595 -3.144 -6.921 1.00 1.00 H new ATOM 0 HG SER A 83 -16.836 -1.078 -6.198 1.00 1.00 H new ATOM 1309 N GLY A 84 -14.490 -2.161 -9.883 1.00 1.00 N ATOM 1310 CA GLY A 84 -14.031 -1.304 -10.931 1.00 1.00 C ATOM 1311 C GLY A 84 -12.577 -1.452 -11.220 1.00 1.00 C ATOM 1312 O GLY A 84 -11.727 -0.810 -10.606 1.00 1.00 O ATOM 0 H GLY A 84 -13.753 -2.535 -9.285 1.00 1.00 H new ATOM 0 HA2 GLY A 84 -14.598 -1.515 -11.838 1.00 1.00 H new ATOM 0 HA3 GLY A 84 -14.237 -0.268 -10.660 1.00 1.00 H new ATOM 1316 N GLU A 85 -12.217 -2.328 -12.176 1.00 1.00 N ATOM 1317 CA GLU A 85 -10.863 -2.726 -12.413 1.00 1.00 C ATOM 1318 C GLU A 85 -9.957 -1.802 -13.150 1.00 1.00 C ATOM 1319 O GLU A 85 -10.128 -1.557 -14.342 1.00 1.00 O ATOM 1320 CB GLU A 85 -10.955 -4.118 -13.062 1.00 1.00 C ATOM 1321 CG GLU A 85 -11.390 -4.189 -14.527 1.00 1.00 C ATOM 1322 CD GLU A 85 -11.783 -5.596 -14.955 1.00 1.00 C ATOM 1323 OE1 GLU A 85 -12.722 -6.151 -14.322 1.00 1.00 O ATOM 1324 OE2 GLU A 85 -11.205 -6.153 -15.925 1.00 1.00 O ATOM 0 H GLU A 85 -12.888 -2.773 -12.803 1.00 1.00 H new ATOM 0 HA GLU A 85 -10.353 -2.718 -11.450 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -9.977 -4.593 -12.978 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -11.652 -4.717 -12.475 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -12.233 -3.517 -14.684 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -10.577 -3.834 -15.161 1.00 1.00 H new ATOM 1331 N THR A 86 -8.921 -1.264 -12.480 1.00 1.00 N ATOM 1332 CA THR A 86 -7.756 -0.668 -13.058 1.00 1.00 C ATOM 1333 C THR A 86 -6.773 -0.306 -11.999 1.00 1.00 C ATOM 1334 O THR A 86 -7.116 0.485 -11.120 1.00 1.00 O ATOM 1335 CB THR A 86 -7.928 0.646 -13.760 1.00 1.00 C ATOM 1336 OG1 THR A 86 -8.852 0.607 -14.838 1.00 1.00 O ATOM 1337 CG2 THR A 86 -6.631 1.105 -14.445 1.00 1.00 C ATOM 0 H THR A 86 -8.897 -1.245 -11.460 1.00 1.00 H new ATOM 0 HA THR A 86 -7.460 -1.440 -13.769 1.00 1.00 H new ATOM 0 HB THR A 86 -8.263 1.304 -12.959 1.00 1.00 H new ATOM 0 HG1 THR A 86 -9.229 -0.294 -14.913 1.00 1.00 H new ATOM 0 HG21 THR A 86 -6.800 2.061 -14.941 1.00 1.00 H new ATOM 0 HG22 THR A 86 -5.845 1.218 -13.698 1.00 1.00 H new ATOM 0 HG23 THR A 86 -6.326 0.362 -15.182 1.00 1.00 H new ATOM 1345 N PHE A 87 -5.509 -0.762 -12.065 1.00 1.00 N ATOM 1346 CA PHE A 87 -4.447 -0.317 -11.219 1.00 1.00 C ATOM 1347 C PHE A 87 -4.245 1.159 -11.170 1.00 1.00 C ATOM 1348 O PHE A 87 -4.738 1.810 -10.251 1.00 1.00 O ATOM 1349 CB PHE A 87 -3.151 -1.049 -11.610 1.00 1.00 C ATOM 1350 CG PHE A 87 -1.857 -0.696 -10.963 1.00 1.00 C ATOM 1351 CD1 PHE A 87 -1.747 -0.077 -9.741 1.00 1.00 C ATOM 1352 CD2 PHE A 87 -0.709 -1.037 -11.638 1.00 1.00 C ATOM 1353 CE1 PHE A 87 -0.513 0.207 -9.205 1.00 1.00 C ATOM 1354 CE2 PHE A 87 0.531 -0.782 -11.101 1.00 1.00 C ATOM 1355 CZ PHE A 87 0.628 -0.160 -9.879 1.00 1.00 C ATOM 0 H PHE A 87 -5.216 -1.471 -12.737 1.00 1.00 H new ATOM 0 HA PHE A 87 -4.741 -0.571 -10.201 1.00 1.00 H new ATOM 0 HB2 PHE A 87 -3.318 -2.112 -11.436 1.00 1.00 H new ATOM 0 HB3 PHE A 87 -3.020 -0.918 -12.684 1.00 1.00 H new ATOM 0 HD1 PHE A 87 -2.640 0.189 -9.195 1.00 1.00 H new ATOM 0 HD2 PHE A 87 -0.782 -1.512 -12.605 1.00 1.00 H new ATOM 0 HE1 PHE A 87 -0.440 0.718 -8.256 1.00 1.00 H new ATOM 0 HE2 PHE A 87 1.424 -1.069 -11.637 1.00 1.00 H new ATOM 0 HZ PHE A 87 1.598 0.040 -9.449 1.00 1.00 H new ATOM 1365 N TRP A 88 -3.504 1.768 -12.113 1.00 1.00 N ATOM 1366 CA TRP A 88 -3.007 3.106 -12.024 1.00 1.00 C ATOM 1367 C TRP A 88 -4.027 4.179 -11.864 1.00 1.00 C ATOM 1368 O TRP A 88 -3.776 5.214 -11.248 1.00 1.00 O ATOM 1369 CB TRP A 88 -2.161 3.424 -13.268 1.00 1.00 C ATOM 1370 CG TRP A 88 -1.095 2.415 -13.624 1.00 1.00 C ATOM 1371 CD1 TRP A 88 -1.152 1.485 -14.620 1.00 1.00 C ATOM 1372 CD2 TRP A 88 0.218 2.308 -13.043 1.00 1.00 C ATOM 1373 NE1 TRP A 88 0.060 0.862 -14.758 1.00 1.00 N ATOM 1374 CE2 TRP A 88 0.908 1.345 -13.789 1.00 1.00 C ATOM 1375 CE3 TRP A 88 0.825 2.950 -11.999 1.00 1.00 C ATOM 1376 CZ2 TRP A 88 2.212 1.038 -13.506 1.00 1.00 C ATOM 1377 CZ3 TRP A 88 2.128 2.619 -11.708 1.00 1.00 C ATOM 1378 CH2 TRP A 88 2.810 1.683 -12.451 1.00 1.00 C ATOM 0 H TRP A 88 -3.238 1.303 -12.981 1.00 1.00 H new ATOM 0 HA TRP A 88 -2.425 3.116 -11.102 1.00 1.00 H new ATOM 0 HB2 TRP A 88 -2.832 3.530 -14.121 1.00 1.00 H new ATOM 0 HB3 TRP A 88 -1.681 4.391 -13.118 1.00 1.00 H new ATOM 0 HD1 TRP A 88 -2.028 1.270 -15.215 1.00 1.00 H new ATOM 0 HE1 TRP A 88 0.294 0.160 -15.460 1.00 1.00 H new ATOM 0 HE3 TRP A 88 0.297 3.694 -11.421 1.00 1.00 H new ATOM 0 HZ2 TRP A 88 2.753 0.312 -14.094 1.00 1.00 H new ATOM 0 HZ3 TRP A 88 2.625 3.103 -10.880 1.00 1.00 H new ATOM 0 HH2 TRP A 88 3.835 1.451 -12.200 1.00 1.00 H new ATOM 1389 N ASP A 89 -5.240 3.954 -12.401 1.00 1.00 N ATOM 1390 CA ASP A 89 -6.360 4.832 -12.267 1.00 1.00 C ATOM 1391 C ASP A 89 -7.004 4.725 -10.927 1.00 1.00 C ATOM 1392 O ASP A 89 -7.336 5.739 -10.316 1.00 1.00 O ATOM 1393 CB ASP A 89 -7.382 4.612 -13.395 1.00 1.00 C ATOM 1394 CG ASP A 89 -6.945 5.151 -14.749 1.00 1.00 C ATOM 1395 OD1 ASP A 89 -5.751 5.492 -14.958 1.00 1.00 O ATOM 1396 OD2 ASP A 89 -7.822 5.263 -15.648 1.00 1.00 O ATOM 0 H ASP A 89 -5.449 3.122 -12.953 1.00 1.00 H new ATOM 0 HA ASP A 89 -5.976 5.848 -12.355 1.00 1.00 H new ATOM 0 HB2 ASP A 89 -7.578 3.544 -13.488 1.00 1.00 H new ATOM 0 HB3 ASP A 89 -8.323 5.086 -13.115 1.00 1.00 H new ATOM 1401 N LEU A 90 -7.175 3.520 -10.354 1.00 1.00 N ATOM 1402 CA LEU A 90 -7.719 3.417 -9.035 1.00 1.00 C ATOM 1403 C LEU A 90 -6.772 3.923 -8.003 1.00 1.00 C ATOM 1404 O LEU A 90 -7.125 4.658 -7.080 1.00 1.00 O ATOM 1405 CB LEU A 90 -8.102 1.983 -8.633 1.00 1.00 C ATOM 1406 CG LEU A 90 -8.737 1.882 -7.235 1.00 1.00 C ATOM 1407 CD1 LEU A 90 -9.974 2.777 -7.054 1.00 1.00 C ATOM 1408 CD2 LEU A 90 -9.105 0.436 -6.865 1.00 1.00 C ATOM 0 H LEU A 90 -6.941 2.630 -10.795 1.00 1.00 H new ATOM 0 HA LEU A 90 -8.620 4.029 -9.073 1.00 1.00 H new ATOM 0 HB2 LEU A 90 -8.799 1.583 -9.369 1.00 1.00 H new ATOM 0 HB3 LEU A 90 -7.211 1.356 -8.664 1.00 1.00 H new ATOM 0 HG LEU A 90 -7.961 2.242 -6.559 1.00 1.00 H new ATOM 0 HD11 LEU A 90 -10.368 2.654 -6.045 1.00 1.00 H new ATOM 0 HD12 LEU A 90 -9.695 3.819 -7.210 1.00 1.00 H new ATOM 0 HD13 LEU A 90 -10.737 2.494 -7.779 1.00 1.00 H new ATOM 0 HD21 LEU A 90 -9.550 0.417 -5.870 1.00 1.00 H new ATOM 0 HD22 LEU A 90 -9.820 0.046 -7.589 1.00 1.00 H new ATOM 0 HD23 LEU A 90 -8.207 -0.181 -6.873 1.00 1.00 H new ATOM 1420 N LEU A 91 -5.490 3.546 -8.162 1.00 1.00 N ATOM 1421 CA LEU A 91 -4.332 3.972 -7.440 1.00 1.00 C ATOM 1422 C LEU A 91 -4.238 5.454 -7.308 1.00 1.00 C ATOM 1423 O LEU A 91 -4.099 5.979 -6.204 1.00 1.00 O ATOM 1424 CB LEU A 91 -3.123 3.385 -8.188 1.00 1.00 C ATOM 1425 CG LEU A 91 -1.726 3.392 -7.546 1.00 1.00 C ATOM 1426 CD1 LEU A 91 -1.104 4.789 -7.378 1.00 1.00 C ATOM 1427 CD2 LEU A 91 -1.664 2.579 -6.242 1.00 1.00 C ATOM 0 H LEU A 91 -5.241 2.865 -8.879 1.00 1.00 H new ATOM 0 HA LEU A 91 -4.377 3.614 -6.412 1.00 1.00 H new ATOM 0 HB2 LEU A 91 -3.363 2.348 -8.423 1.00 1.00 H new ATOM 0 HB3 LEU A 91 -3.043 3.916 -9.136 1.00 1.00 H new ATOM 0 HG LEU A 91 -1.097 2.884 -8.277 1.00 1.00 H new ATOM 0 HD11 LEU A 91 -0.120 4.696 -6.918 1.00 1.00 H new ATOM 0 HD12 LEU A 91 -1.004 5.263 -8.355 1.00 1.00 H new ATOM 0 HD13 LEU A 91 -1.746 5.399 -6.743 1.00 1.00 H new ATOM 0 HD21 LEU A 91 -0.654 2.621 -5.835 1.00 1.00 H new ATOM 0 HD22 LEU A 91 -2.364 2.997 -5.519 1.00 1.00 H new ATOM 0 HD23 LEU A 91 -1.930 1.542 -6.447 1.00 1.00 H new ATOM 1439 N GLU A 92 -4.368 6.177 -8.434 1.00 1.00 N ATOM 1440 CA GLU A 92 -4.574 7.591 -8.502 1.00 1.00 C ATOM 1441 C GLU A 92 -5.702 8.093 -7.668 1.00 1.00 C ATOM 1442 O GLU A 92 -5.498 8.976 -6.836 1.00 1.00 O ATOM 1443 CB GLU A 92 -4.801 8.063 -9.949 1.00 1.00 C ATOM 1444 CG GLU A 92 -5.051 9.562 -10.120 1.00 1.00 C ATOM 1445 CD GLU A 92 -5.353 9.935 -11.566 1.00 1.00 C ATOM 1446 OE1 GLU A 92 -4.497 9.673 -12.454 1.00 1.00 O ATOM 1447 OE2 GLU A 92 -6.454 10.487 -11.825 1.00 1.00 O ATOM 0 H GLU A 92 -4.326 5.745 -9.357 1.00 1.00 H new ATOM 0 HA GLU A 92 -3.652 8.009 -8.098 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -3.930 7.787 -10.544 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -5.652 7.521 -10.360 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -5.886 9.864 -9.487 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -4.176 10.116 -9.779 1.00 1.00 H new ATOM 1454 N GLN A 93 -6.925 7.556 -7.824 1.00 1.00 N ATOM 1455 CA GLN A 93 -8.076 7.959 -7.078 1.00 1.00 C ATOM 1456 C GLN A 93 -7.933 7.816 -5.602 1.00 1.00 C ATOM 1457 O GLN A 93 -8.270 8.714 -4.832 1.00 1.00 O ATOM 1458 CB GLN A 93 -9.332 7.187 -7.517 1.00 1.00 C ATOM 1459 CG GLN A 93 -10.629 7.914 -7.158 1.00 1.00 C ATOM 1460 CD GLN A 93 -11.794 6.967 -6.910 1.00 1.00 C ATOM 1461 OE1 GLN A 93 -12.259 6.808 -5.782 1.00 1.00 O ATOM 1462 NE2 GLN A 93 -12.305 6.302 -7.979 1.00 1.00 N ATOM 0 H GLN A 93 -7.119 6.813 -8.495 1.00 1.00 H new ATOM 0 HA GLN A 93 -8.178 9.021 -7.300 1.00 1.00 H new ATOM 0 HB2 GLN A 93 -9.297 7.027 -8.595 1.00 1.00 H new ATOM 0 HB3 GLN A 93 -9.331 6.203 -7.048 1.00 1.00 H new ATOM 0 HG2 GLN A 93 -10.465 8.520 -6.267 1.00 1.00 H new ATOM 0 HG3 GLN A 93 -10.890 8.599 -7.965 1.00 1.00 H new ATOM 0 HE21 GLN A 93 -11.907 6.446 -8.907 1.00 1.00 H new ATOM 0 HE22 GLN A 93 -13.087 5.659 -7.853 1.00 1.00 H new ATOM 1471 N ALA A 94 -7.391 6.675 -5.145 1.00 1.00 N ATOM 1472 CA ALA A 94 -7.060 6.348 -3.792 1.00 1.00 C ATOM 1473 C ALA A 94 -6.089 7.292 -3.172 1.00 1.00 C ATOM 1474 O ALA A 94 -6.295 7.827 -2.084 1.00 1.00 O ATOM 1475 CB ALA A 94 -6.532 4.902 -3.799 1.00 1.00 C ATOM 0 H ALA A 94 -7.164 5.911 -5.782 1.00 1.00 H new ATOM 0 HA ALA A 94 -7.950 6.438 -3.170 1.00 1.00 H new ATOM 0 HB1 ALA A 94 -6.266 4.607 -2.784 1.00 1.00 H new ATOM 0 HB2 ALA A 94 -7.305 4.234 -4.180 1.00 1.00 H new ATOM 0 HB3 ALA A 94 -5.651 4.839 -4.438 1.00 1.00 H new ATOM 1481 N ALA A 95 -4.977 7.604 -3.862 1.00 1.00 N ATOM 1482 CA ALA A 95 -4.009 8.555 -3.413 1.00 1.00 C ATOM 1483 C ALA A 95 -4.545 9.944 -3.335 1.00 1.00 C ATOM 1484 O ALA A 95 -4.390 10.637 -2.330 1.00 1.00 O ATOM 1485 CB ALA A 95 -2.781 8.520 -4.339 1.00 1.00 C ATOM 0 H ALA A 95 -4.745 7.181 -4.761 1.00 1.00 H new ATOM 0 HA ALA A 95 -3.729 8.269 -2.399 1.00 1.00 H new ATOM 0 HB1 ALA A 95 -2.045 9.246 -3.994 1.00 1.00 H new ATOM 0 HB2 ALA A 95 -2.342 7.522 -4.323 1.00 1.00 H new ATOM 0 HB3 ALA A 95 -3.085 8.767 -5.356 1.00 1.00 H new ATOM 1491 N THR A 96 -5.253 10.381 -4.391 1.00 1.00 N ATOM 1492 CA THR A 96 -5.963 11.618 -4.505 1.00 1.00 C ATOM 1493 C THR A 96 -6.934 11.868 -3.403 1.00 1.00 C ATOM 1494 O THR A 96 -6.920 12.938 -2.794 1.00 1.00 O ATOM 1495 CB THR A 96 -6.678 11.728 -5.819 1.00 1.00 C ATOM 1496 OG1 THR A 96 -5.740 11.666 -6.883 1.00 1.00 O ATOM 1497 CG2 THR A 96 -7.457 13.044 -5.988 1.00 1.00 C ATOM 0 H THR A 96 -5.335 9.819 -5.238 1.00 1.00 H new ATOM 0 HA THR A 96 -5.188 12.382 -4.436 1.00 1.00 H new ATOM 0 HB THR A 96 -7.386 10.900 -5.838 1.00 1.00 H new ATOM 0 HG1 THR A 96 -5.410 10.748 -6.975 1.00 1.00 H new ATOM 0 HG21 THR A 96 -7.948 13.054 -6.961 1.00 1.00 H new ATOM 0 HG22 THR A 96 -8.207 13.126 -5.202 1.00 1.00 H new ATOM 0 HG23 THR A 96 -6.768 13.886 -5.921 1.00 1.00 H new ATOM 1505 N GLN A 97 -7.795 10.891 -3.069 1.00 1.00 N ATOM 1506 CA GLN A 97 -8.784 11.026 -2.045 1.00 1.00 C ATOM 1507 C GLN A 97 -8.215 11.073 -0.668 1.00 1.00 C ATOM 1508 O GLN A 97 -8.783 11.696 0.228 1.00 1.00 O ATOM 1509 CB GLN A 97 -9.884 9.953 -2.123 1.00 1.00 C ATOM 1510 CG GLN A 97 -9.492 8.550 -1.653 1.00 1.00 C ATOM 1511 CD GLN A 97 -10.437 7.455 -2.125 1.00 1.00 C ATOM 1512 OE1 GLN A 97 -10.953 6.659 -1.342 1.00 1.00 O ATOM 1513 NE2 GLN A 97 -10.612 7.357 -3.471 1.00 1.00 N ATOM 0 H GLN A 97 -7.804 9.979 -3.525 1.00 1.00 H new ATOM 0 HA GLN A 97 -9.241 11.995 -2.245 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -10.733 10.289 -1.528 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -10.225 9.886 -3.156 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -8.486 8.326 -2.008 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -9.455 8.540 -0.564 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -10.170 8.034 -4.093 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -11.185 6.607 -3.858 1.00 1.00 H new ATOM 1522 N GLN A 98 -7.047 10.445 -0.441 1.00 1.00 N ATOM 1523 CA GLN A 98 -6.350 10.581 0.800 1.00 1.00 C ATOM 1524 C GLN A 98 -5.637 11.879 0.964 1.00 1.00 C ATOM 1525 O GLN A 98 -5.606 12.440 2.059 1.00 1.00 O ATOM 1526 CB GLN A 98 -5.339 9.432 0.956 1.00 1.00 C ATOM 1527 CG GLN A 98 -5.972 8.046 1.090 1.00 1.00 C ATOM 1528 CD GLN A 98 -6.513 7.785 2.488 1.00 1.00 C ATOM 1529 OE1 GLN A 98 -7.318 8.531 3.045 1.00 1.00 O ATOM 1530 NE2 GLN A 98 -6.054 6.668 3.114 1.00 1.00 N ATOM 0 H GLN A 98 -6.584 9.841 -1.120 1.00 1.00 H new ATOM 0 HA GLN A 98 -7.115 10.547 1.575 1.00 1.00 H new ATOM 0 HB2 GLN A 98 -4.672 9.432 0.094 1.00 1.00 H new ATOM 0 HB3 GLN A 98 -4.723 9.623 1.835 1.00 1.00 H new ATOM 0 HG2 GLN A 98 -6.782 7.948 0.367 1.00 1.00 H new ATOM 0 HG3 GLN A 98 -5.231 7.286 0.843 1.00 1.00 H new ATOM 0 HE21 GLN A 98 -5.387 6.057 2.643 1.00 1.00 H new ATOM 0 HE22 GLN A 98 -6.377 6.441 4.055 1.00 1.00 H new ATOM 1539 N ALA A 99 -5.008 12.423 -0.094 1.00 1.00 N ATOM 1540 CA ALA A 99 -4.238 13.625 -0.013 1.00 1.00 C ATOM 1541 C ALA A 99 -5.020 14.884 -0.164 1.00 1.00 C ATOM 1542 O ALA A 99 -4.849 15.831 0.601 1.00 1.00 O ATOM 1543 CB ALA A 99 -3.146 13.579 -1.095 1.00 1.00 C ATOM 0 H ALA A 99 -5.036 12.017 -1.029 1.00 1.00 H new ATOM 0 HA ALA A 99 -3.824 13.655 0.995 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -2.548 14.489 -1.048 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -2.504 12.714 -0.927 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -3.611 13.501 -2.078 1.00 1.00 H new ATOM 1549 N GLY A 100 -5.913 14.971 -1.167 1.00 1.00 N ATOM 1550 CA GLY A 100 -6.593 16.170 -1.547 1.00 1.00 C ATOM 1551 C GLY A 100 -5.864 16.931 -2.599 1.00 1.00 C ATOM 1552 O GLY A 100 -5.735 18.153 -2.541 1.00 1.00 O ATOM 0 H GLY A 100 -6.172 14.167 -1.739 1.00 1.00 H new ATOM 0 HA2 GLY A 100 -7.590 15.919 -1.910 1.00 1.00 H new ATOM 0 HA3 GLY A 100 -6.723 16.803 -0.670 1.00 1.00 H new ATOM 1556 N GLU A 101 -5.349 16.209 -3.611 1.00 1.00 N ATOM 1557 CA GLU A 101 -4.496 16.713 -4.642 1.00 1.00 C ATOM 1558 C GLU A 101 -4.423 15.591 -5.620 1.00 1.00 C ATOM 1559 O GLU A 101 -4.479 14.442 -5.187 1.00 1.00 O ATOM 1560 CB GLU A 101 -3.107 17.032 -4.067 1.00 1.00 C ATOM 1561 CG GLU A 101 -1.955 17.232 -5.054 1.00 1.00 C ATOM 1562 CD GLU A 101 -0.695 17.727 -4.361 1.00 1.00 C ATOM 1563 OE1 GLU A 101 -0.718 18.842 -3.774 1.00 1.00 O ATOM 1564 OE2 GLU A 101 0.341 17.010 -4.388 1.00 1.00 O ATOM 0 H GLU A 101 -5.541 15.213 -3.715 1.00 1.00 H new ATOM 0 HA GLU A 101 -4.862 17.635 -5.093 1.00 1.00 H new ATOM 0 HB2 GLU A 101 -3.193 17.937 -3.465 1.00 1.00 H new ATOM 0 HB3 GLU A 101 -2.831 16.224 -3.390 1.00 1.00 H new ATOM 0 HG2 GLU A 101 -1.744 16.291 -5.562 1.00 1.00 H new ATOM 0 HG3 GLU A 101 -2.253 17.948 -5.820 1.00 1.00 H new ATOM 1571 N THR A 102 -4.332 15.810 -6.945 1.00 1.00 N ATOM 1572 CA THR A 102 -4.248 14.716 -7.861 1.00 1.00 C ATOM 1573 C THR A 102 -2.896 14.090 -7.824 1.00 1.00 C ATOM 1574 O THR A 102 -1.949 14.587 -8.433 1.00 1.00 O ATOM 1575 CB THR A 102 -4.524 14.989 -9.310 1.00 1.00 C ATOM 1576 OG1 THR A 102 -5.712 15.745 -9.491 1.00 1.00 O ATOM 1577 CG2 THR A 102 -4.728 13.668 -10.072 1.00 1.00 C ATOM 0 H THR A 102 -4.317 16.734 -7.377 1.00 1.00 H new ATOM 0 HA THR A 102 -5.053 14.077 -7.497 1.00 1.00 H new ATOM 0 HB THR A 102 -3.665 15.545 -9.685 1.00 1.00 H new ATOM 0 HG1 THR A 102 -5.856 15.904 -10.447 1.00 1.00 H new ATOM 0 HG21 THR A 102 -4.927 13.881 -11.122 1.00 1.00 H new ATOM 0 HG22 THR A 102 -3.828 13.058 -9.990 1.00 1.00 H new ATOM 0 HG23 THR A 102 -5.573 13.128 -9.644 1.00 1.00 H new ATOM 1585 N VAL A 103 -2.755 12.960 -7.109 1.00 1.00 N ATOM 1586 CA VAL A 103 -1.519 12.244 -7.011 1.00 1.00 C ATOM 1587 C VAL A 103 -1.532 11.163 -8.036 1.00 1.00 C ATOM 1588 O VAL A 103 -1.872 10.002 -7.813 1.00 1.00 O ATOM 1589 CB VAL A 103 -1.286 11.684 -5.639 1.00 1.00 C ATOM 1590 CG1 VAL A 103 0.163 11.184 -5.516 1.00 1.00 C ATOM 1591 CG2 VAL A 103 -1.529 12.759 -4.567 1.00 1.00 C ATOM 0 H VAL A 103 -3.519 12.532 -6.585 1.00 1.00 H new ATOM 0 HA VAL A 103 -0.694 12.933 -7.193 1.00 1.00 H new ATOM 0 HB VAL A 103 -1.981 10.858 -5.487 1.00 1.00 H new ATOM 0 HG11 VAL A 103 0.325 10.779 -4.517 1.00 1.00 H new ATOM 0 HG12 VAL A 103 0.343 10.405 -6.257 1.00 1.00 H new ATOM 0 HG13 VAL A 103 0.850 12.013 -5.687 1.00 1.00 H new ATOM 0 HG21 VAL A 103 -1.355 12.333 -3.579 1.00 1.00 H new ATOM 0 HG22 VAL A 103 -0.847 13.594 -4.728 1.00 1.00 H new ATOM 0 HG23 VAL A 103 -2.558 13.113 -4.633 1.00 1.00 H new ATOM 1601 N SER A 104 -1.148 11.552 -9.264 1.00 1.00 N ATOM 1602 CA SER A 104 -1.293 10.789 -10.465 1.00 1.00 C ATOM 1603 C SER A 104 -0.092 9.962 -10.769 1.00 1.00 C ATOM 1604 O SER A 104 0.904 9.958 -10.048 1.00 1.00 O ATOM 1605 CB SER A 104 -1.618 11.716 -11.648 1.00 1.00 C ATOM 1606 OG SER A 104 -2.105 11.042 -12.798 1.00 1.00 O ATOM 0 H SER A 104 -0.708 12.457 -9.428 1.00 1.00 H new ATOM 0 HA SER A 104 -2.121 10.098 -10.306 1.00 1.00 H new ATOM 0 HB2 SER A 104 -2.360 12.448 -11.328 1.00 1.00 H new ATOM 0 HB3 SER A 104 -0.719 12.270 -11.919 1.00 1.00 H new ATOM 0 HG SER A 104 -2.947 10.590 -12.580 1.00 1.00 H new ATOM 1612 N PHE A 105 -0.164 9.164 -11.850 1.00 1.00 N ATOM 1613 CA PHE A 105 0.983 8.687 -12.559 1.00 1.00 C ATOM 1614 C PHE A 105 0.761 8.738 -14.032 1.00 1.00 C ATOM 1615 O PHE A 105 1.714 8.901 -14.792 1.00 1.00 O ATOM 1616 CB PHE A 105 1.377 7.281 -12.075 1.00 1.00 C ATOM 1617 CG PHE A 105 2.658 6.822 -12.683 1.00 1.00 C ATOM 1618 CD1 PHE A 105 3.801 7.579 -12.573 1.00 1.00 C ATOM 1619 CD2 PHE A 105 2.681 5.667 -13.428 1.00 1.00 C ATOM 1620 CE1 PHE A 105 4.951 7.200 -13.225 1.00 1.00 C ATOM 1621 CE2 PHE A 105 3.834 5.273 -14.067 1.00 1.00 C ATOM 1622 CZ PHE A 105 4.964 6.051 -13.979 1.00 1.00 C ATOM 0 H PHE A 105 -1.048 8.841 -12.243 1.00 1.00 H new ATOM 0 HA PHE A 105 1.823 9.348 -12.344 1.00 1.00 H new ATOM 0 HB2 PHE A 105 1.471 7.284 -10.989 1.00 1.00 H new ATOM 0 HB3 PHE A 105 0.584 6.576 -12.324 1.00 1.00 H new ATOM 0 HD1 PHE A 105 3.795 8.476 -11.971 1.00 1.00 H new ATOM 0 HD2 PHE A 105 1.788 5.065 -13.512 1.00 1.00 H new ATOM 0 HE1 PHE A 105 5.842 7.804 -13.145 1.00 1.00 H new ATOM 0 HE2 PHE A 105 3.851 4.355 -14.636 1.00 1.00 H new ATOM 0 HZ PHE A 105 5.862 5.759 -14.503 1.00 1.00 H new ATOM 1632 N ARG A 106 -0.485 8.607 -14.522 1.00 1.00 N ATOM 1633 CA ARG A 106 -0.760 8.663 -15.923 1.00 1.00 C ATOM 1634 C ARG A 106 -1.254 10.050 -16.313 1.00 1.00 C ATOM 1635 O ARG A 106 -0.461 10.816 -16.923 1.00 1.00 O ATOM 1636 CB ARG A 106 -1.767 7.594 -16.378 1.00 1.00 C ATOM 1637 CG ARG A 106 -1.202 6.173 -16.422 1.00 1.00 C ATOM 1638 CD ARG A 106 -2.155 5.180 -17.091 1.00 1.00 C ATOM 1639 NE ARG A 106 -1.389 3.927 -17.341 1.00 1.00 N ATOM 1640 CZ ARG A 106 -1.952 2.722 -17.647 1.00 1.00 C ATOM 1641 NH1 ARG A 106 -3.299 2.498 -17.635 1.00 1.00 N ATOM 1642 NH2 ARG A 106 -1.145 1.647 -17.885 1.00 1.00 N ATOM 1643 OXT ARG A 106 -2.421 10.430 -16.027 1.00 1.00 O ATOM 0 H ARG A 106 -1.310 8.461 -13.940 1.00 1.00 H new ATOM 0 HA ARG A 106 0.179 8.453 -16.435 1.00 1.00 H new ATOM 0 HB2 ARG A 106 -2.625 7.610 -15.706 1.00 1.00 H new ATOM 0 HB3 ARG A 106 -2.134 7.857 -17.370 1.00 1.00 H new ATOM 0 HG2 ARG A 106 -0.254 6.180 -16.960 1.00 1.00 H new ATOM 0 HG3 ARG A 106 -0.990 5.839 -15.406 1.00 1.00 H new ATOM 0 HD2 ARG A 106 -3.015 4.983 -16.451 1.00 1.00 H new ATOM 0 HD3 ARG A 106 -2.540 5.588 -18.026 1.00 1.00 H new ATOM 0 HE ARG A 106 -0.372 3.973 -17.279 1.00 1.00 H new ATOM 0 HH11 ARG A 106 -3.939 3.253 -17.388 1.00 1.00 H new ATOM 0 HH12 ARG A 106 -3.665 1.576 -17.873 1.00 1.00 H new ATOM 0 HH21 ARG A 106 -0.131 1.749 -17.833 1.00 1.00 H new ATOM 0 HH22 ARG A 106 -1.556 0.742 -18.114 1.00 1.00 H new TER 1657 ARG A 106