USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 999 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.00229 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00565 USER MOD Single : A 4 GLN :FLIP amide:sc= -1.15! C(o=-3.6!,f=-1.2!) USER MOD Single : A 5 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.0016) USER MOD Single : A 12 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-1.4) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.81) USER MOD Single : A 34 HIS : no HD1:sc= -0.413 X(o=-0.41,f=0.087) USER MOD Single : A 37 SER OG : rot 180:sc= 0.00489 USER MOD Single : A 39 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-8.4!) USER MOD Single : A 45 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.78) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.294 K(o=0.29,f=-7.5!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 62 TYR OH : rot 48:sc= 0.661 USER MOD Single : A 71 MET CE :methyl -136:sc= -0.56 (180deg=-1.46) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -156:sc= 0.17 USER MOD Single : A 88 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.37) USER MOD Single : A 89 HIS : no HD1:sc= -0.32 X(o=-0.32,f=-0.0078) USER MOD Single : A 94 SER OG : rot -30:sc= 0.572 USER MOD Single : A 96 SER OG : rot 70:sc= 0.491 USER MOD Single : A 97 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-3.3!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 160:sc= 0 USER MOD Single : A 123 HIS : no HD1:sc= -0.0254 X(o=-0.025,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.894 36.399 -25.862 1.00 0.00 N ATOM 2 CA MET A 1 -11.189 35.952 -27.083 1.00 0.00 C ATOM 3 C MET A 1 -11.938 34.774 -27.691 1.00 0.00 C ATOM 4 O MET A 1 -12.487 33.948 -26.960 1.00 0.00 O ATOM 5 CB MET A 1 -9.744 35.560 -26.738 1.00 0.00 C ATOM 6 CG MET A 1 -8.751 35.735 -27.882 1.00 0.00 C ATOM 7 SD MET A 1 -9.003 34.575 -29.242 1.00 0.00 S ATOM 8 CE MET A 1 -7.720 35.102 -30.375 1.00 0.00 C ATOM 0 H1 MET A 1 -11.270 37.020 -25.308 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.753 36.921 -26.129 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.155 35.571 -25.289 1.00 0.00 H new ATOM 0 HA MET A 1 -11.158 36.764 -27.810 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.411 36.159 -25.890 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.730 34.518 -26.418 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.826 36.753 -28.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.739 35.614 -27.495 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.746 34.479 -31.269 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.885 36.143 -30.653 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.747 35.005 -29.893 1.00 0.00 H new ATOM 18 N SER A 2 -11.977 34.716 -29.021 1.00 0.00 N ATOM 19 CA SER A 2 -12.696 33.670 -29.742 1.00 0.00 C ATOM 20 C SER A 2 -12.340 32.272 -29.232 1.00 0.00 C ATOM 21 O SER A 2 -13.222 31.498 -28.859 1.00 0.00 O ATOM 22 CB SER A 2 -12.387 33.769 -31.236 1.00 0.00 C ATOM 23 OG SER A 2 -12.567 35.094 -31.705 1.00 0.00 O ATOM 0 H SER A 2 -11.512 35.392 -29.627 1.00 0.00 H new ATOM 0 HA SER A 2 -13.761 33.822 -29.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.361 33.450 -31.421 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.036 33.092 -31.791 1.00 0.00 H new ATOM 0 HG SER A 2 -12.362 35.133 -32.663 1.00 0.00 H new ATOM 29 N ASP A 3 -11.052 31.956 -29.200 1.00 0.00 N ATOM 30 CA ASP A 3 -10.610 30.638 -28.763 1.00 0.00 C ATOM 31 C ASP A 3 -9.330 30.749 -27.946 1.00 0.00 C ATOM 32 O ASP A 3 -8.536 31.669 -28.146 1.00 0.00 O ATOM 33 CB ASP A 3 -10.394 29.712 -29.962 1.00 0.00 C ATOM 34 CG ASP A 3 -10.037 28.305 -29.532 1.00 0.00 C ATOM 35 OD1 ASP A 3 -10.747 27.754 -28.663 1.00 0.00 O ATOM 36 OD2 ASP A 3 -9.051 27.747 -30.054 1.00 0.00 O ATOM 0 H ASP A 3 -10.299 32.589 -29.469 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.390 30.210 -28.134 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -11.299 29.687 -30.569 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -9.599 30.112 -30.591 1.00 0.00 H new ATOM 41 N GLN A 4 -9.130 29.809 -27.031 1.00 0.00 N ATOM 42 CA GLN A 4 -7.991 29.870 -26.126 1.00 0.00 C ATOM 43 C GLN A 4 -7.489 28.482 -25.716 1.00 0.00 C ATOM 44 O GLN A 4 -6.325 28.158 -25.950 1.00 0.00 O ATOM 45 CB GLN A 4 -8.307 30.732 -24.885 1.00 0.00 C ATOM 46 CG GLN A 4 -9.789 30.856 -24.513 1.00 0.00 C ATOM 47 CD GLN A 4 -10.408 29.564 -24.008 1.00 0.00 C ATOM 48 OE1 GLN A 4 -11.075 28.834 -24.891 1.00 0.00 O flip ATOM 49 NE2 GLN A 4 -10.325 29.247 -22.824 1.00 0.00 N flip ATOM 0 H GLN A 4 -9.737 29.001 -26.897 1.00 0.00 H new ATOM 0 HA GLN A 4 -7.182 30.348 -26.678 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.772 30.315 -24.032 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.910 31.733 -25.052 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.898 31.623 -23.746 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -10.345 31.197 -25.386 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.803 29.835 -22.174 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.778 28.396 -22.491 1.00 0.00 H new ATOM 58 N HIS A 5 -8.363 27.664 -25.124 1.00 0.00 N ATOM 59 CA HIS A 5 -7.965 26.368 -24.562 1.00 0.00 C ATOM 60 C HIS A 5 -6.797 26.555 -23.592 1.00 0.00 C ATOM 61 O HIS A 5 -6.897 27.309 -22.619 1.00 0.00 O ATOM 62 CB HIS A 5 -7.569 25.362 -25.661 1.00 0.00 C ATOM 63 CG HIS A 5 -8.689 24.930 -26.557 1.00 0.00 C ATOM 64 ND1 HIS A 5 -9.443 23.796 -26.336 1.00 0.00 N ATOM 65 CD2 HIS A 5 -9.163 25.473 -27.699 1.00 0.00 C ATOM 66 CE1 HIS A 5 -10.329 23.663 -27.305 1.00 0.00 C ATOM 67 NE2 HIS A 5 -10.180 24.667 -28.143 1.00 0.00 N ATOM 0 H HIS A 5 -9.355 27.876 -25.021 1.00 0.00 H new ATOM 0 HA HIS A 5 -8.826 25.962 -24.031 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.784 25.806 -26.274 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.142 24.478 -25.187 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -8.807 26.375 -28.175 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.053 22.866 -27.395 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -10.732 24.821 -28.987 1.00 0.00 H new ATOM 76 N ASP A 6 -5.697 25.867 -23.873 1.00 0.00 N ATOM 77 CA ASP A 6 -4.456 26.012 -23.128 1.00 0.00 C ATOM 78 C ASP A 6 -3.360 25.227 -23.834 1.00 0.00 C ATOM 79 O ASP A 6 -3.624 24.550 -24.829 1.00 0.00 O ATOM 80 CB ASP A 6 -4.598 25.548 -21.671 1.00 0.00 C ATOM 81 CG ASP A 6 -4.958 24.085 -21.540 1.00 0.00 C ATOM 82 OD1 ASP A 6 -4.041 23.242 -21.545 1.00 0.00 O ATOM 83 OD2 ASP A 6 -6.160 23.775 -21.415 1.00 0.00 O ATOM 0 H ASP A 6 -5.643 25.187 -24.631 1.00 0.00 H new ATOM 0 HA ASP A 6 -4.196 27.070 -23.097 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.661 25.733 -21.146 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.363 26.148 -21.179 1.00 0.00 H new ATOM 88 N GLU A 7 -2.144 25.323 -23.322 1.00 0.00 N ATOM 89 CA GLU A 7 -0.981 24.734 -23.978 1.00 0.00 C ATOM 90 C GLU A 7 -0.979 23.202 -23.927 1.00 0.00 C ATOM 91 O GLU A 7 -0.241 22.557 -24.675 1.00 0.00 O ATOM 92 CB GLU A 7 0.309 25.270 -23.353 1.00 0.00 C ATOM 93 CG GLU A 7 0.419 26.789 -23.369 1.00 0.00 C ATOM 94 CD GLU A 7 -0.132 27.441 -22.115 1.00 0.00 C ATOM 95 OE1 GLU A 7 0.677 27.902 -21.282 1.00 0.00 O ATOM 96 OE2 GLU A 7 -1.371 27.500 -21.956 1.00 0.00 O ATOM 0 H GLU A 7 -1.933 25.806 -22.449 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.037 25.023 -25.027 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.373 24.922 -22.322 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.161 24.848 -23.886 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.466 27.070 -23.487 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.115 27.176 -24.237 1.00 0.00 H new ATOM 103 N ARG A 8 -1.801 22.614 -23.067 1.00 0.00 N ATOM 104 CA ARG A 8 -1.811 21.164 -22.913 1.00 0.00 C ATOM 105 C ARG A 8 -2.757 20.528 -23.927 1.00 0.00 C ATOM 106 O ARG A 8 -3.798 19.980 -23.567 1.00 0.00 O ATOM 107 CB ARG A 8 -2.209 20.739 -21.490 1.00 0.00 C ATOM 108 CG ARG A 8 -1.224 21.144 -20.400 1.00 0.00 C ATOM 109 CD ARG A 8 -1.301 22.631 -20.085 1.00 0.00 C ATOM 110 NE ARG A 8 -0.420 23.007 -18.983 1.00 0.00 N ATOM 111 CZ ARG A 8 -0.173 24.265 -18.623 1.00 0.00 C ATOM 112 NH1 ARG A 8 -0.747 25.270 -19.275 1.00 0.00 N ATOM 113 NH2 ARG A 8 0.638 24.517 -17.603 1.00 0.00 N ATOM 0 H ARG A 8 -2.463 23.112 -22.471 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.795 20.813 -23.094 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.183 21.169 -21.257 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.326 19.655 -21.469 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.428 20.571 -19.496 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.211 20.892 -20.715 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.034 23.203 -20.973 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.328 22.895 -19.833 1.00 0.00 H new ATOM 0 HE ARG A 8 0.034 22.260 -18.457 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.378 25.079 -20.053 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.556 26.233 -18.998 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.072 23.747 -17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.827 25.481 -17.328 1.00 0.00 H new ATOM 127 N ARG A 9 -2.393 20.614 -25.199 1.00 0.00 N ATOM 128 CA ARG A 9 -3.203 20.032 -26.264 1.00 0.00 C ATOM 129 C ARG A 9 -2.997 18.519 -26.333 1.00 0.00 C ATOM 130 O ARG A 9 -3.665 17.819 -27.093 1.00 0.00 O ATOM 131 CB ARG A 9 -2.881 20.688 -27.612 1.00 0.00 C ATOM 132 CG ARG A 9 -1.433 20.538 -28.047 1.00 0.00 C ATOM 133 CD ARG A 9 -1.157 21.298 -29.335 1.00 0.00 C ATOM 134 NE ARG A 9 0.219 21.116 -29.792 1.00 0.00 N ATOM 135 CZ ARG A 9 0.938 22.057 -30.401 1.00 0.00 C ATOM 136 NH1 ARG A 9 0.413 23.252 -30.652 1.00 0.00 N ATOM 137 NH2 ARG A 9 2.186 21.796 -30.760 1.00 0.00 N ATOM 0 H ARG A 9 -1.544 21.080 -25.520 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.252 20.222 -26.037 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.525 20.255 -28.377 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -3.123 21.749 -27.554 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.775 20.905 -27.259 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.202 19.482 -28.190 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.845 20.960 -30.110 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -1.350 22.359 -29.179 1.00 0.00 H new ATOM 0 HE ARG A 9 0.658 20.209 -29.634 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.548 23.455 -30.378 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.971 23.967 -31.119 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.590 20.879 -30.570 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.743 22.512 -31.227 1.00 0.00 H new ATOM 151 N ARG A 10 -2.065 18.024 -25.532 1.00 0.00 N ATOM 152 CA ARG A 10 -1.828 16.596 -25.414 1.00 0.00 C ATOM 153 C ARG A 10 -1.618 16.242 -23.947 1.00 0.00 C ATOM 154 O ARG A 10 -0.781 16.841 -23.274 1.00 0.00 O ATOM 155 CB ARG A 10 -0.607 16.174 -26.234 1.00 0.00 C ATOM 156 CG ARG A 10 -0.452 14.666 -26.350 1.00 0.00 C ATOM 157 CD ARG A 10 -1.582 14.054 -27.163 1.00 0.00 C ATOM 158 NE ARG A 10 -1.583 14.541 -28.541 1.00 0.00 N ATOM 159 CZ ARG A 10 -2.687 14.785 -29.253 1.00 0.00 C ATOM 160 NH1 ARG A 10 -3.885 14.572 -28.723 1.00 0.00 N ATOM 161 NH2 ARG A 10 -2.590 15.230 -30.499 1.00 0.00 N ATOM 0 H ARG A 10 -1.456 18.598 -24.949 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.696 16.062 -25.802 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.684 16.602 -27.233 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.291 16.590 -25.777 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.504 14.432 -26.819 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.436 14.222 -25.354 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.485 12.968 -27.161 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.537 14.290 -26.693 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.681 14.705 -28.989 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.965 14.221 -27.769 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.725 14.760 -29.270 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -1.672 15.386 -30.915 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.434 15.416 -31.041 1.00 0.00 H new ATOM 175 N PHE A 11 -2.385 15.285 -23.454 1.00 0.00 N ATOM 176 CA PHE A 11 -2.319 14.906 -22.051 1.00 0.00 C ATOM 177 C PHE A 11 -1.300 13.794 -21.841 1.00 0.00 C ATOM 178 O PHE A 11 -1.465 12.679 -22.339 1.00 0.00 O ATOM 179 CB PHE A 11 -3.701 14.473 -21.553 1.00 0.00 C ATOM 180 CG PHE A 11 -4.743 15.548 -21.688 1.00 0.00 C ATOM 181 CD1 PHE A 11 -4.883 16.520 -20.710 1.00 0.00 C ATOM 182 CD2 PHE A 11 -5.578 15.591 -22.795 1.00 0.00 C ATOM 183 CE1 PHE A 11 -5.836 17.514 -20.832 1.00 0.00 C ATOM 184 CE2 PHE A 11 -6.533 16.582 -22.922 1.00 0.00 C ATOM 185 CZ PHE A 11 -6.661 17.545 -21.940 1.00 0.00 C ATOM 0 H PHE A 11 -3.061 14.755 -24.004 1.00 0.00 H new ATOM 0 HA PHE A 11 -1.998 15.773 -21.473 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.022 13.593 -22.111 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.627 14.177 -20.506 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.240 16.501 -19.842 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.481 14.841 -23.566 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.936 18.265 -20.062 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -7.178 16.603 -23.788 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.405 18.321 -22.038 1.00 0.00 H new ATOM 195 N HIS A 12 -0.241 14.116 -21.113 1.00 0.00 N ATOM 196 CA HIS A 12 0.832 13.170 -20.833 1.00 0.00 C ATOM 197 C HIS A 12 0.482 12.322 -19.613 1.00 0.00 C ATOM 198 O HIS A 12 0.400 12.837 -18.503 1.00 0.00 O ATOM 199 CB HIS A 12 2.141 13.934 -20.594 1.00 0.00 C ATOM 200 CG HIS A 12 3.313 13.067 -20.232 1.00 0.00 C ATOM 201 ND1 HIS A 12 3.743 12.887 -18.935 1.00 0.00 N ATOM 202 CD2 HIS A 12 4.160 12.350 -21.009 1.00 0.00 C ATOM 203 CE1 HIS A 12 4.802 12.099 -18.930 1.00 0.00 C ATOM 204 NE2 HIS A 12 5.077 11.758 -20.176 1.00 0.00 N ATOM 0 H HIS A 12 -0.100 15.038 -20.700 1.00 0.00 H new ATOM 0 HA HIS A 12 0.958 12.507 -21.689 1.00 0.00 H new ATOM 0 HB2 HIS A 12 2.387 14.498 -21.494 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.982 14.660 -19.796 1.00 0.00 H new ATOM 0 HD2 HIS A 12 4.121 12.261 -22.085 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.351 11.786 -18.054 1.00 0.00 H new ATOM 0 HE2 HIS A 12 5.844 11.154 -20.471 1.00 0.00 H new ATOM 213 N ARG A 13 0.279 11.030 -19.826 1.00 0.00 N ATOM 214 CA ARG A 13 -0.077 10.117 -18.742 1.00 0.00 C ATOM 215 C ARG A 13 1.156 9.652 -17.977 1.00 0.00 C ATOM 216 O ARG A 13 2.287 9.798 -18.448 1.00 0.00 O ATOM 217 CB ARG A 13 -0.818 8.896 -19.289 1.00 0.00 C ATOM 218 CG ARG A 13 -2.219 9.192 -19.791 1.00 0.00 C ATOM 219 CD ARG A 13 -2.831 7.961 -20.437 1.00 0.00 C ATOM 220 NE ARG A 13 -4.229 8.160 -20.810 1.00 0.00 N ATOM 221 CZ ARG A 13 -4.631 8.527 -22.029 1.00 0.00 C ATOM 222 NH1 ARG A 13 -3.740 8.835 -22.963 1.00 0.00 N ATOM 223 NH2 ARG A 13 -5.925 8.590 -22.306 1.00 0.00 N ATOM 0 H ARG A 13 0.354 10.586 -20.741 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.727 10.664 -18.059 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.235 8.466 -20.104 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.877 8.140 -18.506 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.845 9.523 -18.962 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.187 10.009 -20.512 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.256 7.697 -21.324 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.759 7.119 -19.748 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.941 8.009 -20.096 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.743 8.792 -22.751 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.052 9.115 -23.893 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.612 8.358 -21.589 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.234 8.870 -23.237 1.00 0.00 H new ATOM 237 N ILE A 14 0.924 9.109 -16.791 1.00 0.00 N ATOM 238 CA ILE A 14 1.987 8.533 -15.978 1.00 0.00 C ATOM 239 C ILE A 14 1.881 7.013 -15.945 1.00 0.00 C ATOM 240 O ILE A 14 1.214 6.439 -15.083 1.00 0.00 O ATOM 241 CB ILE A 14 1.977 9.089 -14.534 1.00 0.00 C ATOM 242 CG1 ILE A 14 0.546 9.118 -13.976 1.00 0.00 C ATOM 243 CG2 ILE A 14 2.607 10.472 -14.498 1.00 0.00 C ATOM 244 CD1 ILE A 14 0.455 9.603 -12.545 1.00 0.00 C ATOM 0 H ILE A 14 -0.002 9.055 -16.366 1.00 0.00 H new ATOM 0 HA ILE A 14 2.931 8.817 -16.443 1.00 0.00 H new ATOM 0 HB ILE A 14 2.569 8.429 -13.900 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.067 9.762 -14.607 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.122 8.116 -14.037 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.593 10.851 -13.476 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.637 10.412 -14.849 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.043 11.146 -15.143 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.587 9.595 -12.224 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.039 8.946 -11.900 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.847 10.618 -12.479 1.00 0.00 H new ATOM 256 N ALA A 15 2.528 6.359 -16.893 1.00 0.00 N ATOM 257 CA ALA A 15 2.467 4.910 -16.989 1.00 0.00 C ATOM 258 C ALA A 15 3.854 4.301 -16.861 1.00 0.00 C ATOM 259 O ALA A 15 4.674 4.396 -17.776 1.00 0.00 O ATOM 260 CB ALA A 15 1.813 4.486 -18.298 1.00 0.00 C ATOM 0 H ALA A 15 3.102 6.807 -17.607 1.00 0.00 H new ATOM 0 HA ALA A 15 1.857 4.540 -16.165 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.777 3.398 -18.351 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.800 4.886 -18.345 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.394 4.871 -19.136 1.00 0.00 H new ATOM 266 N PHE A 16 4.118 3.699 -15.717 1.00 0.00 N ATOM 267 CA PHE A 16 5.391 3.046 -15.472 1.00 0.00 C ATOM 268 C PHE A 16 5.222 1.533 -15.501 1.00 0.00 C ATOM 269 O PHE A 16 4.385 0.976 -14.791 1.00 0.00 O ATOM 270 CB PHE A 16 6.009 3.518 -14.144 1.00 0.00 C ATOM 271 CG PHE A 16 5.061 3.532 -12.972 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.013 2.470 -12.082 1.00 0.00 C ATOM 273 CD2 PHE A 16 4.228 4.621 -12.752 1.00 0.00 C ATOM 274 CE1 PHE A 16 4.154 2.493 -11.000 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.367 4.647 -11.673 1.00 0.00 C ATOM 276 CZ PHE A 16 3.329 3.582 -10.795 1.00 0.00 C ATOM 0 H PHE A 16 3.463 3.648 -14.937 1.00 0.00 H new ATOM 0 HA PHE A 16 6.082 3.325 -16.267 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.853 2.871 -13.903 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.407 4.523 -14.282 1.00 0.00 H new ATOM 0 HD1 PHE A 16 5.654 1.615 -12.236 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.254 5.458 -13.434 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.128 1.659 -10.314 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.723 5.500 -11.516 1.00 0.00 H new ATOM 0 HZ PHE A 16 2.656 3.600 -9.950 1.00 0.00 H new ATOM 286 N ASP A 17 6.012 0.879 -16.339 1.00 0.00 N ATOM 287 CA ASP A 17 5.910 -0.563 -16.519 1.00 0.00 C ATOM 288 C ASP A 17 6.586 -1.289 -15.371 1.00 0.00 C ATOM 289 O ASP A 17 7.815 -1.400 -15.326 1.00 0.00 O ATOM 290 CB ASP A 17 6.534 -1.005 -17.846 1.00 0.00 C ATOM 291 CG ASP A 17 5.851 -0.396 -19.055 1.00 0.00 C ATOM 292 OD1 ASP A 17 6.337 0.641 -19.557 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.836 -0.954 -19.515 1.00 0.00 O ATOM 0 H ASP A 17 6.733 1.324 -16.907 1.00 0.00 H new ATOM 0 HA ASP A 17 4.851 -0.819 -16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.589 -0.730 -17.855 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.488 -2.092 -17.919 1.00 0.00 H new ATOM 298 N ALA A 18 5.784 -1.755 -14.435 1.00 0.00 N ATOM 299 CA ALA A 18 6.283 -2.490 -13.290 1.00 0.00 C ATOM 300 C ALA A 18 5.443 -3.734 -13.069 1.00 0.00 C ATOM 301 O ALA A 18 4.352 -3.860 -13.631 1.00 0.00 O ATOM 302 CB ALA A 18 6.275 -1.610 -12.046 1.00 0.00 C ATOM 0 H ALA A 18 4.771 -1.636 -14.446 1.00 0.00 H new ATOM 0 HA ALA A 18 7.312 -2.792 -13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.653 -2.178 -11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.910 -0.740 -12.212 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.256 -1.282 -11.839 1.00 0.00 H new ATOM 308 N ASP A 19 5.955 -4.653 -12.264 1.00 0.00 N ATOM 309 CA ASP A 19 5.224 -5.867 -11.937 1.00 0.00 C ATOM 310 C ASP A 19 4.062 -5.527 -11.012 1.00 0.00 C ATOM 311 O ASP A 19 4.266 -5.084 -9.880 1.00 0.00 O ATOM 312 CB ASP A 19 6.152 -6.893 -11.279 1.00 0.00 C ATOM 313 CG ASP A 19 5.488 -8.240 -11.073 1.00 0.00 C ATOM 314 OD1 ASP A 19 5.400 -9.021 -12.043 1.00 0.00 O ATOM 315 OD2 ASP A 19 5.079 -8.540 -9.937 1.00 0.00 O ATOM 0 H ASP A 19 6.873 -4.581 -11.826 1.00 0.00 H new ATOM 0 HA ASP A 19 4.833 -6.306 -12.855 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.040 -7.022 -11.898 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.487 -6.508 -10.316 1.00 0.00 H new ATOM 320 N SER A 20 2.846 -5.691 -11.513 1.00 0.00 N ATOM 321 CA SER A 20 1.656 -5.353 -10.751 1.00 0.00 C ATOM 322 C SER A 20 0.842 -6.607 -10.481 1.00 0.00 C ATOM 323 O SER A 20 0.292 -7.207 -11.403 1.00 0.00 O ATOM 324 CB SER A 20 0.811 -4.329 -11.520 1.00 0.00 C ATOM 325 OG SER A 20 -0.318 -3.914 -10.765 1.00 0.00 O ATOM 0 H SER A 20 2.659 -6.057 -12.446 1.00 0.00 H new ATOM 0 HA SER A 20 1.956 -4.915 -9.799 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.424 -3.462 -11.767 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.480 -4.764 -12.463 1.00 0.00 H new ATOM 0 HG SER A 20 -0.835 -3.261 -11.281 1.00 0.00 H new ATOM 331 N GLU A 21 0.781 -7.017 -9.226 1.00 0.00 N ATOM 332 CA GLU A 21 0.031 -8.204 -8.869 1.00 0.00 C ATOM 333 C GLU A 21 -1.243 -7.833 -8.126 1.00 0.00 C ATOM 334 O GLU A 21 -1.200 -7.143 -7.105 1.00 0.00 O ATOM 335 CB GLU A 21 0.875 -9.151 -8.012 1.00 0.00 C ATOM 336 CG GLU A 21 2.213 -9.502 -8.637 1.00 0.00 C ATOM 337 CD GLU A 21 2.902 -10.667 -7.956 1.00 0.00 C ATOM 338 OE1 GLU A 21 2.857 -11.786 -8.508 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.503 -10.477 -6.875 1.00 0.00 O ATOM 0 H GLU A 21 1.239 -6.548 -8.444 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.236 -8.717 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.047 -8.692 -7.039 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.313 -10.068 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.063 -9.742 -9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.865 -8.629 -8.598 1.00 0.00 H new ATOM 346 N ILE A 22 -2.372 -8.275 -8.661 1.00 0.00 N ATOM 347 CA ILE A 22 -3.645 -8.152 -7.978 1.00 0.00 C ATOM 348 C ILE A 22 -3.950 -9.465 -7.280 1.00 0.00 C ATOM 349 O ILE A 22 -4.040 -10.513 -7.919 1.00 0.00 O ATOM 350 CB ILE A 22 -4.798 -7.795 -8.943 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.587 -6.397 -9.528 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.142 -7.880 -8.228 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.660 -5.980 -10.514 1.00 0.00 C ATOM 0 H ILE A 22 -2.428 -8.725 -9.574 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.567 -7.338 -7.258 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.801 -8.516 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.554 -5.673 -8.714 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.617 -6.363 -10.024 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.941 -7.625 -8.924 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.293 -8.894 -7.857 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.154 -7.182 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.443 -4.979 -10.886 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.679 -6.681 -11.349 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.630 -5.980 -10.017 1.00 0.00 H new ATOM 365 N LEU A 23 -4.076 -9.418 -5.972 1.00 0.00 N ATOM 366 CA LEU A 23 -4.252 -10.632 -5.203 1.00 0.00 C ATOM 367 C LEU A 23 -5.228 -10.438 -4.062 1.00 0.00 C ATOM 368 O LEU A 23 -5.524 -9.317 -3.656 1.00 0.00 O ATOM 369 CB LEU A 23 -2.909 -11.129 -4.650 1.00 0.00 C ATOM 370 CG LEU A 23 -2.183 -10.198 -3.674 1.00 0.00 C ATOM 371 CD1 LEU A 23 -1.182 -10.991 -2.847 1.00 0.00 C ATOM 372 CD2 LEU A 23 -1.466 -9.081 -4.418 1.00 0.00 C ATOM 0 H LEU A 23 -4.060 -8.560 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.662 -11.380 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.078 -12.082 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.245 -11.325 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.926 -9.750 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.670 -10.322 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.706 -11.763 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.452 -11.457 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.959 -8.434 -3.702 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.734 -9.511 -5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.191 -8.497 -4.984 1.00 0.00 H new ATOM 384 N GLN A 24 -5.735 -11.554 -3.578 1.00 0.00 N ATOM 385 CA GLN A 24 -6.559 -11.583 -2.392 1.00 0.00 C ATOM 386 C GLN A 24 -6.027 -12.664 -1.463 1.00 0.00 C ATOM 387 O GLN A 24 -6.545 -13.782 -1.422 1.00 0.00 O ATOM 388 CB GLN A 24 -8.025 -11.848 -2.748 1.00 0.00 C ATOM 389 CG GLN A 24 -8.955 -11.856 -1.544 1.00 0.00 C ATOM 390 CD GLN A 24 -10.380 -12.227 -1.905 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.623 -12.963 -2.860 1.00 0.00 O ATOM 392 NE2 GLN A 24 -11.332 -11.733 -1.132 1.00 0.00 N ATOM 0 H GLN A 24 -5.585 -12.470 -4.001 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.518 -10.614 -1.895 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.362 -11.087 -3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.098 -12.808 -3.259 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.577 -12.561 -0.804 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -8.948 -10.870 -1.078 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.089 -11.126 -0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -12.309 -11.959 -1.318 1.00 0.00 H new ATOM 401 N GLY A 25 -4.944 -12.340 -0.771 1.00 0.00 N ATOM 402 CA GLY A 25 -4.316 -13.291 0.123 1.00 0.00 C ATOM 403 C GLY A 25 -3.621 -14.424 -0.614 1.00 0.00 C ATOM 404 O GLY A 25 -2.438 -14.332 -0.943 1.00 0.00 O ATOM 0 H GLY A 25 -4.487 -11.429 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.590 -12.771 0.747 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.070 -13.707 0.791 1.00 0.00 H new ATOM 408 N GLU A 26 -4.368 -15.482 -0.896 1.00 0.00 N ATOM 409 CA GLU A 26 -3.807 -16.698 -1.477 1.00 0.00 C ATOM 410 C GLU A 26 -3.820 -16.657 -3.001 1.00 0.00 C ATOM 411 O GLU A 26 -2.959 -17.251 -3.655 1.00 0.00 O ATOM 412 CB GLU A 26 -4.609 -17.904 -1.006 1.00 0.00 C ATOM 413 CG GLU A 26 -4.668 -18.050 0.502 1.00 0.00 C ATOM 414 CD GLU A 26 -5.630 -19.133 0.926 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.776 -18.799 1.300 1.00 0.00 O ATOM 416 OE2 GLU A 26 -5.262 -20.323 0.852 1.00 0.00 O ATOM 0 H GLU A 26 -5.374 -15.524 -0.731 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.771 -16.775 -1.148 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.625 -17.827 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.173 -18.807 -1.432 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.673 -18.279 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.970 -17.102 0.947 1.00 0.00 H new ATOM 423 N ARG A 27 -4.797 -15.963 -3.562 1.00 0.00 N ATOM 424 CA ARG A 27 -4.989 -15.947 -5.005 1.00 0.00 C ATOM 425 C ARG A 27 -4.355 -14.701 -5.594 1.00 0.00 C ATOM 426 O ARG A 27 -4.677 -13.591 -5.182 1.00 0.00 O ATOM 427 CB ARG A 27 -6.480 -16.000 -5.332 1.00 0.00 C ATOM 428 CG ARG A 27 -7.175 -17.219 -4.749 1.00 0.00 C ATOM 429 CD ARG A 27 -8.679 -17.151 -4.938 1.00 0.00 C ATOM 430 NE ARG A 27 -9.355 -18.310 -4.360 1.00 0.00 N ATOM 431 CZ ARG A 27 -10.603 -18.286 -3.894 1.00 0.00 C ATOM 432 NH1 ARG A 27 -11.282 -17.145 -3.872 1.00 0.00 N ATOM 433 NH2 ARG A 27 -11.161 -19.396 -3.428 1.00 0.00 N ATOM 0 H ARG A 27 -5.471 -15.402 -3.040 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.508 -16.822 -5.443 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.961 -15.099 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.609 -15.999 -6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.789 -18.120 -5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.945 -17.296 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.062 -16.241 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.909 -17.090 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.841 -19.190 -4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -10.848 -16.287 -4.212 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.237 -17.127 -3.515 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.634 -20.270 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.117 -19.376 -3.072 1.00 0.00 H new ATOM 447 N ARG A 28 -3.456 -14.887 -6.545 1.00 0.00 N ATOM 448 CA ARG A 28 -2.684 -13.783 -7.101 1.00 0.00 C ATOM 449 C ARG A 28 -2.595 -13.874 -8.617 1.00 0.00 C ATOM 450 O ARG A 28 -2.291 -14.931 -9.173 1.00 0.00 O ATOM 451 CB ARG A 28 -1.280 -13.769 -6.487 1.00 0.00 C ATOM 452 CG ARG A 28 -0.586 -15.123 -6.530 1.00 0.00 C ATOM 453 CD ARG A 28 0.756 -15.096 -5.819 1.00 0.00 C ATOM 454 NE ARG A 28 1.756 -14.307 -6.537 1.00 0.00 N ATOM 455 CZ ARG A 28 3.065 -14.557 -6.489 1.00 0.00 C ATOM 456 NH1 ARG A 28 3.525 -15.559 -5.747 1.00 0.00 N ATOM 457 NH2 ARG A 28 3.910 -13.803 -7.175 1.00 0.00 N ATOM 0 H ARG A 28 -3.240 -15.797 -6.952 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.196 -12.853 -6.854 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.668 -13.039 -7.016 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.348 -13.437 -5.451 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.227 -15.874 -6.067 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.441 -15.423 -7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.625 -14.685 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.121 -16.116 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 28 1.435 -13.523 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.877 -16.138 -5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.526 -15.749 -5.711 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.560 -13.030 -7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.911 -13.995 -7.137 1.00 0.00 H new ATOM 471 N TRP A 29 -2.879 -12.763 -9.279 1.00 0.00 N ATOM 472 CA TRP A 29 -2.756 -12.675 -10.722 1.00 0.00 C ATOM 473 C TRP A 29 -2.235 -11.295 -11.109 1.00 0.00 C ATOM 474 O TRP A 29 -2.690 -10.278 -10.587 1.00 0.00 O ATOM 475 CB TRP A 29 -4.098 -12.976 -11.409 1.00 0.00 C ATOM 476 CG TRP A 29 -5.240 -12.103 -10.969 1.00 0.00 C ATOM 477 CD1 TRP A 29 -5.695 -10.975 -11.591 1.00 0.00 C ATOM 478 CD2 TRP A 29 -6.083 -12.293 -9.823 1.00 0.00 C ATOM 479 NE1 TRP A 29 -6.762 -10.452 -10.902 1.00 0.00 N ATOM 480 CE2 TRP A 29 -7.020 -11.244 -9.814 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.135 -13.249 -8.803 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -7.991 -11.121 -8.824 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.104 -13.130 -7.825 1.00 0.00 C ATOM 484 CH2 TRP A 29 -8.022 -12.074 -7.843 1.00 0.00 C ATOM 0 H TRP A 29 -3.199 -11.903 -8.833 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.043 -13.426 -11.062 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.971 -12.869 -12.486 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.361 -14.017 -11.221 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.276 -10.555 -12.494 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.278 -9.611 -11.159 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.430 -14.066 -8.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.695 -10.302 -8.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.154 -13.864 -7.034 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.770 -12.010 -7.067 1.00 0.00 H new ATOM 495 N GLU A 30 -1.265 -11.262 -12.003 1.00 0.00 N ATOM 496 CA GLU A 30 -0.635 -10.009 -12.380 1.00 0.00 C ATOM 497 C GLU A 30 -1.394 -9.332 -13.517 1.00 0.00 C ATOM 498 O GLU A 30 -2.040 -9.989 -14.337 1.00 0.00 O ATOM 499 CB GLU A 30 0.847 -10.207 -12.748 1.00 0.00 C ATOM 500 CG GLU A 30 1.109 -11.227 -13.849 1.00 0.00 C ATOM 501 CD GLU A 30 0.862 -12.655 -13.408 1.00 0.00 C ATOM 502 OE1 GLU A 30 -0.134 -13.257 -13.855 1.00 0.00 O ATOM 503 OE2 GLU A 30 1.652 -13.180 -12.600 1.00 0.00 O ATOM 0 H GLU A 30 -0.897 -12.085 -12.481 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.672 -9.352 -11.511 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.260 -9.247 -13.058 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.390 -10.513 -11.854 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.471 -11.002 -14.704 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.141 -11.131 -14.187 1.00 0.00 H new ATOM 510 N VAL A 31 -1.313 -8.012 -13.545 1.00 0.00 N ATOM 511 CA VAL A 31 -2.031 -7.209 -14.516 1.00 0.00 C ATOM 512 C VAL A 31 -1.111 -6.134 -15.094 1.00 0.00 C ATOM 513 O VAL A 31 -0.106 -5.771 -14.481 1.00 0.00 O ATOM 514 CB VAL A 31 -3.271 -6.547 -13.867 1.00 0.00 C ATOM 515 CG1 VAL A 31 -2.857 -5.559 -12.786 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.145 -5.868 -14.911 1.00 0.00 C ATOM 0 H VAL A 31 -0.747 -7.468 -12.894 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.366 -7.863 -15.321 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.860 -7.336 -13.400 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.746 -5.108 -12.346 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.294 -6.081 -12.012 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.234 -4.780 -13.225 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.007 -5.413 -14.423 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.569 -5.097 -15.422 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.486 -6.607 -15.636 1.00 0.00 H new ATOM 526 N LEU A 32 -1.447 -5.643 -16.276 1.00 0.00 N ATOM 527 CA LEU A 32 -0.669 -4.597 -16.916 1.00 0.00 C ATOM 528 C LEU A 32 -1.161 -3.231 -16.452 1.00 0.00 C ATOM 529 O LEU A 32 -2.356 -2.927 -16.548 1.00 0.00 O ATOM 530 CB LEU A 32 -0.767 -4.693 -18.447 1.00 0.00 C ATOM 531 CG LEU A 32 -0.368 -6.039 -19.074 1.00 0.00 C ATOM 532 CD1 LEU A 32 0.907 -6.580 -18.441 1.00 0.00 C ATOM 533 CD2 LEU A 32 -1.502 -7.051 -18.972 1.00 0.00 C ATOM 0 H LEU A 32 -2.257 -5.954 -16.813 1.00 0.00 H new ATOM 0 HA LEU A 32 0.375 -4.725 -16.632 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.794 -4.471 -18.738 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.138 -3.915 -18.879 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.170 -5.868 -20.132 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.167 -7.533 -18.903 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.719 -5.869 -18.594 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.749 -6.726 -17.372 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.191 -7.993 -19.424 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.749 -7.216 -17.923 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.378 -6.670 -19.496 1.00 0.00 H new ATOM 545 N LEU A 33 -0.248 -2.419 -15.943 1.00 0.00 N ATOM 546 CA LEU A 33 -0.592 -1.100 -15.435 1.00 0.00 C ATOM 547 C LEU A 33 -0.842 -0.124 -16.583 1.00 0.00 C ATOM 548 O LEU A 33 -0.192 -0.197 -17.625 1.00 0.00 O ATOM 549 CB LEU A 33 0.528 -0.575 -14.529 1.00 0.00 C ATOM 550 CG LEU A 33 0.288 0.810 -13.923 1.00 0.00 C ATOM 551 CD1 LEU A 33 -0.960 0.810 -13.057 1.00 0.00 C ATOM 552 CD2 LEU A 33 1.495 1.252 -13.115 1.00 0.00 C ATOM 0 H LEU A 33 0.742 -2.652 -15.870 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.509 -1.185 -14.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.679 -1.287 -13.717 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.454 -0.546 -15.104 1.00 0.00 H new ATOM 0 HG LEU A 33 0.138 1.518 -14.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.111 1.804 -12.637 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.824 0.537 -13.663 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.842 0.088 -12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.308 2.239 -12.691 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.675 0.539 -12.310 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.370 1.296 -13.763 1.00 0.00 H new ATOM 564 N HIS A 34 -1.805 0.771 -16.393 1.00 0.00 N ATOM 565 CA HIS A 34 -2.115 1.789 -17.389 1.00 0.00 C ATOM 566 C HIS A 34 -2.107 3.175 -16.749 1.00 0.00 C ATOM 567 O HIS A 34 -1.195 3.963 -16.985 1.00 0.00 O ATOM 568 CB HIS A 34 -3.472 1.518 -18.059 1.00 0.00 C ATOM 569 CG HIS A 34 -3.469 0.348 -19.003 1.00 0.00 C ATOM 570 ND1 HIS A 34 -3.536 0.486 -20.375 1.00 0.00 N ATOM 571 CD2 HIS A 34 -3.427 -0.986 -18.767 1.00 0.00 C ATOM 572 CE1 HIS A 34 -3.529 -0.709 -20.937 1.00 0.00 C ATOM 573 NE2 HIS A 34 -3.465 -1.616 -19.985 1.00 0.00 N ATOM 0 H HIS A 34 -2.386 0.812 -15.556 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.346 1.751 -18.160 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.219 1.344 -17.284 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.780 2.410 -18.604 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.374 -1.464 -17.800 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.569 -0.908 -21.998 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -3.447 -2.625 -20.130 1.00 0.00 H new ATOM 582 N ASP A 35 -3.107 3.453 -15.920 1.00 0.00 N ATOM 583 CA ASP A 35 -3.223 4.756 -15.270 1.00 0.00 C ATOM 584 C ASP A 35 -3.439 4.585 -13.770 1.00 0.00 C ATOM 585 O ASP A 35 -3.880 3.528 -13.315 1.00 0.00 O ATOM 586 CB ASP A 35 -4.377 5.565 -15.877 1.00 0.00 C ATOM 587 CG ASP A 35 -4.086 6.056 -17.286 1.00 0.00 C ATOM 588 OD1 ASP A 35 -3.837 7.271 -17.456 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.112 5.230 -18.228 1.00 0.00 O ATOM 0 H ASP A 35 -3.849 2.795 -15.681 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.293 5.301 -15.433 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -5.276 4.949 -15.892 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.588 6.421 -15.237 1.00 0.00 H new ATOM 594 N VAL A 36 -3.130 5.624 -13.005 1.00 0.00 N ATOM 595 CA VAL A 36 -3.251 5.578 -11.550 1.00 0.00 C ATOM 596 C VAL A 36 -3.420 6.994 -10.986 1.00 0.00 C ATOM 597 O VAL A 36 -3.008 7.969 -11.614 1.00 0.00 O ATOM 598 CB VAL A 36 -2.016 4.885 -10.913 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.741 5.670 -11.190 1.00 0.00 C ATOM 600 CG2 VAL A 36 -2.207 4.678 -9.415 1.00 0.00 C ATOM 0 H VAL A 36 -2.792 6.515 -13.369 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.135 4.992 -11.299 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.917 3.904 -11.377 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.107 5.161 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.584 5.740 -12.266 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.832 6.672 -10.771 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.325 4.191 -9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.351 5.643 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.082 4.052 -9.243 1.00 0.00 H new ATOM 610 N SER A 37 -4.045 7.108 -9.816 1.00 0.00 N ATOM 611 CA SER A 37 -4.272 8.408 -9.194 1.00 0.00 C ATOM 612 C SER A 37 -4.425 8.259 -7.682 1.00 0.00 C ATOM 613 O SER A 37 -4.234 7.174 -7.138 1.00 0.00 O ATOM 614 CB SER A 37 -5.523 9.059 -9.785 1.00 0.00 C ATOM 615 OG SER A 37 -6.652 8.212 -9.649 1.00 0.00 O ATOM 0 H SER A 37 -4.402 6.316 -9.281 1.00 0.00 H new ATOM 0 HA SER A 37 -3.410 9.044 -9.394 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.714 10.008 -9.284 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.357 9.283 -10.839 1.00 0.00 H new ATOM 0 HG SER A 37 -7.439 8.652 -10.033 1.00 0.00 H new ATOM 621 N LEU A 38 -4.794 9.346 -7.012 1.00 0.00 N ATOM 622 CA LEU A 38 -5.021 9.320 -5.570 1.00 0.00 C ATOM 623 C LEU A 38 -6.445 8.865 -5.294 1.00 0.00 C ATOM 624 O LEU A 38 -6.927 8.919 -4.167 1.00 0.00 O ATOM 625 CB LEU A 38 -4.814 10.713 -4.966 1.00 0.00 C ATOM 626 CG LEU A 38 -3.543 11.437 -5.407 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.457 12.810 -4.757 1.00 0.00 C ATOM 628 CD2 LEU A 38 -2.307 10.612 -5.077 1.00 0.00 C ATOM 0 H LEU A 38 -4.943 10.258 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.310 8.629 -5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.673 11.333 -5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.801 10.621 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.585 11.569 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.545 13.310 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.322 13.406 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.442 12.699 -3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.415 11.148 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.259 10.443 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.361 9.653 -5.593 1.00 0.00 H new ATOM 640 N HIS A 39 -7.116 8.443 -6.356 1.00 0.00 N ATOM 641 CA HIS A 39 -8.518 8.046 -6.283 1.00 0.00 C ATOM 642 C HIS A 39 -8.632 6.550 -6.485 1.00 0.00 C ATOM 643 O HIS A 39 -9.667 5.940 -6.216 1.00 0.00 O ATOM 644 CB HIS A 39 -9.322 8.764 -7.369 1.00 0.00 C ATOM 645 CG HIS A 39 -8.964 10.207 -7.519 1.00 0.00 C ATOM 646 ND1 HIS A 39 -8.944 10.854 -8.729 1.00 0.00 N ATOM 647 CD2 HIS A 39 -8.600 11.125 -6.599 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.585 12.109 -8.543 1.00 0.00 C ATOM 649 NE2 HIS A 39 -8.373 12.299 -7.261 1.00 0.00 N ATOM 0 H HIS A 39 -6.709 8.366 -7.288 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.913 8.317 -5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.164 8.258 -8.321 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.384 8.683 -7.137 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.506 10.962 -5.536 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.482 12.856 -9.316 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.086 13.178 -6.830 1.00 0.00 H new ATOM 658 N GLY A 40 -7.551 5.972 -6.964 1.00 0.00 N ATOM 659 CA GLY A 40 -7.540 4.567 -7.278 1.00 0.00 C ATOM 660 C GLY A 40 -6.575 4.254 -8.395 1.00 0.00 C ATOM 661 O GLY A 40 -5.480 4.813 -8.450 1.00 0.00 O ATOM 0 H GLY A 40 -6.671 6.456 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.266 3.997 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.543 4.250 -7.564 1.00 0.00 H new ATOM 665 N ILE A 41 -6.996 3.403 -9.310 1.00 0.00 N ATOM 666 CA ILE A 41 -6.106 2.904 -10.348 1.00 0.00 C ATOM 667 C ILE A 41 -6.918 2.325 -11.504 1.00 0.00 C ATOM 668 O ILE A 41 -8.028 1.832 -11.302 1.00 0.00 O ATOM 669 CB ILE A 41 -5.138 1.839 -9.768 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.149 1.349 -10.829 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.912 0.670 -9.178 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.152 0.336 -10.308 1.00 0.00 C ATOM 0 H ILE A 41 -7.948 3.041 -9.359 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.509 3.734 -10.727 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.566 2.312 -8.970 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.705 0.907 -11.655 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.608 2.205 -11.232 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.213 -0.064 -8.777 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.559 1.029 -8.378 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.519 0.206 -9.955 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.484 0.035 -11.115 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.569 0.781 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.684 -0.538 -9.932 1.00 0.00 H new ATOM 684 N LEU A 42 -6.377 2.413 -12.712 1.00 0.00 N ATOM 685 CA LEU A 42 -7.070 1.939 -13.897 1.00 0.00 C ATOM 686 C LEU A 42 -6.171 0.994 -14.688 1.00 0.00 C ATOM 687 O LEU A 42 -5.105 1.387 -15.168 1.00 0.00 O ATOM 688 CB LEU A 42 -7.488 3.129 -14.767 1.00 0.00 C ATOM 689 CG LEU A 42 -8.389 2.796 -15.958 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.734 2.265 -15.488 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.584 4.023 -16.829 1.00 0.00 C ATOM 0 H LEU A 42 -5.456 2.811 -12.895 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.964 1.394 -13.593 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.004 3.853 -14.136 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.587 3.616 -15.141 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.902 2.019 -16.547 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.357 2.035 -16.353 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.582 1.360 -14.899 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.228 3.018 -14.875 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.227 3.772 -17.673 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.048 4.816 -16.242 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.617 4.364 -17.199 1.00 0.00 H new ATOM 703 N VAL A 43 -6.596 -0.253 -14.810 1.00 0.00 N ATOM 704 CA VAL A 43 -5.832 -1.258 -15.532 1.00 0.00 C ATOM 705 C VAL A 43 -6.703 -1.911 -16.594 1.00 0.00 C ATOM 706 O VAL A 43 -7.843 -1.497 -16.807 1.00 0.00 O ATOM 707 CB VAL A 43 -5.271 -2.344 -14.588 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.251 -1.750 -13.630 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.397 -3.022 -13.822 1.00 0.00 C ATOM 0 H VAL A 43 -7.472 -0.595 -14.415 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.989 -0.751 -16.002 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.769 -3.097 -15.195 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.869 -2.532 -12.974 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.427 -1.318 -14.198 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.725 -0.973 -13.030 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.981 -3.784 -13.163 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.931 -2.280 -13.228 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.086 -3.488 -14.526 1.00 0.00 H new ATOM 719 N GLY A 44 -6.169 -2.918 -17.263 1.00 0.00 N ATOM 720 CA GLY A 44 -6.933 -3.605 -18.278 1.00 0.00 C ATOM 721 C GLY A 44 -6.393 -4.986 -18.563 1.00 0.00 C ATOM 722 O GLY A 44 -5.214 -5.242 -18.298 1.00 0.00 O ATOM 0 H GLY A 44 -5.223 -3.271 -17.122 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.972 -3.682 -17.958 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.925 -3.017 -19.196 1.00 0.00 H new ATOM 726 N GLN A 45 -7.288 -5.870 -19.043 1.00 0.00 N ATOM 727 CA GLN A 45 -6.964 -7.225 -19.545 1.00 0.00 C ATOM 728 C GLN A 45 -7.451 -8.384 -18.641 1.00 0.00 C ATOM 729 O GLN A 45 -7.729 -9.459 -19.175 1.00 0.00 O ATOM 730 CB GLN A 45 -5.475 -7.393 -19.899 1.00 0.00 C ATOM 731 CG GLN A 45 -5.131 -8.728 -20.545 1.00 0.00 C ATOM 732 CD GLN A 45 -5.945 -9.006 -21.796 1.00 0.00 C ATOM 733 OE1 GLN A 45 -6.340 -8.088 -22.519 1.00 0.00 O ATOM 734 NE2 GLN A 45 -6.203 -10.277 -22.056 1.00 0.00 N ATOM 0 H GLN A 45 -8.284 -5.659 -19.095 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.541 -7.301 -20.467 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.181 -6.590 -20.574 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.883 -7.279 -18.991 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.071 -8.741 -20.797 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.297 -9.528 -19.824 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.857 -11.006 -21.432 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.748 -10.528 -22.881 1.00 0.00 H new ATOM 743 N PRO A 46 -7.552 -8.252 -17.288 1.00 0.00 N ATOM 744 CA PRO A 46 -8.154 -9.313 -16.463 1.00 0.00 C ATOM 745 C PRO A 46 -9.530 -9.719 -16.987 1.00 0.00 C ATOM 746 O PRO A 46 -10.490 -8.953 -16.913 1.00 0.00 O ATOM 747 CB PRO A 46 -8.258 -8.684 -15.076 1.00 0.00 C ATOM 748 CG PRO A 46 -7.167 -7.676 -15.049 1.00 0.00 C ATOM 749 CD PRO A 46 -7.072 -7.135 -16.452 1.00 0.00 C ATOM 0 HA PRO A 46 -7.562 -10.228 -16.469 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.232 -8.220 -14.921 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.131 -9.429 -14.291 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.387 -6.880 -14.337 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.225 -8.128 -14.740 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.687 -6.245 -16.581 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.049 -6.855 -16.705 1.00 0.00 H new ATOM 757 N GLN A 47 -9.595 -10.928 -17.527 1.00 0.00 N ATOM 758 CA GLN A 47 -10.773 -11.405 -18.244 1.00 0.00 C ATOM 759 C GLN A 47 -11.957 -11.652 -17.314 1.00 0.00 C ATOM 760 O GLN A 47 -13.111 -11.496 -17.716 1.00 0.00 O ATOM 761 CB GLN A 47 -10.409 -12.680 -19.007 1.00 0.00 C ATOM 762 CG GLN A 47 -9.370 -12.443 -20.092 1.00 0.00 C ATOM 763 CD GLN A 47 -8.575 -13.686 -20.440 1.00 0.00 C ATOM 764 OE1 GLN A 47 -8.955 -14.464 -21.313 1.00 0.00 O ATOM 765 NE2 GLN A 47 -7.451 -13.868 -19.764 1.00 0.00 N ATOM 0 H GLN A 47 -8.835 -11.606 -17.481 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.085 -10.629 -18.943 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.031 -13.423 -18.304 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.309 -13.097 -19.458 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.868 -12.075 -20.989 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.685 -11.661 -19.765 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.173 -13.198 -19.047 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.864 -14.679 -19.960 1.00 0.00 H new ATOM 774 N ASP A 48 -11.677 -12.022 -16.073 1.00 0.00 N ATOM 775 CA ASP A 48 -12.734 -12.287 -15.105 1.00 0.00 C ATOM 776 C ASP A 48 -12.234 -11.966 -13.702 1.00 0.00 C ATOM 777 O ASP A 48 -11.088 -11.544 -13.531 1.00 0.00 O ATOM 778 CB ASP A 48 -13.191 -13.752 -15.193 1.00 0.00 C ATOM 779 CG ASP A 48 -14.629 -13.958 -14.740 1.00 0.00 C ATOM 780 OD1 ASP A 48 -15.499 -14.208 -15.605 1.00 0.00 O ATOM 781 OD2 ASP A 48 -14.900 -13.875 -13.522 1.00 0.00 O ATOM 0 H ASP A 48 -10.731 -12.146 -15.712 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.591 -11.652 -15.331 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.088 -14.097 -16.222 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.532 -14.369 -14.582 1.00 0.00 H new ATOM 786 N TRP A 49 -13.082 -12.174 -12.709 1.00 0.00 N ATOM 787 CA TRP A 49 -12.745 -11.866 -11.329 1.00 0.00 C ATOM 788 C TRP A 49 -13.156 -13.004 -10.409 1.00 0.00 C ATOM 789 O TRP A 49 -12.333 -13.821 -10.000 1.00 0.00 O ATOM 790 CB TRP A 49 -13.434 -10.574 -10.878 1.00 0.00 C ATOM 791 CG TRP A 49 -12.843 -9.338 -11.471 1.00 0.00 C ATOM 792 CD1 TRP A 49 -13.367 -8.563 -12.463 1.00 0.00 C ATOM 793 CD2 TRP A 49 -11.601 -8.736 -11.103 1.00 0.00 C ATOM 794 NE1 TRP A 49 -12.528 -7.508 -12.728 1.00 0.00 N ATOM 795 CE2 TRP A 49 -11.436 -7.596 -11.906 1.00 0.00 C ATOM 796 CE3 TRP A 49 -10.616 -9.050 -10.167 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -10.323 -6.771 -11.801 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.512 -8.232 -10.065 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.375 -7.105 -10.877 1.00 0.00 C ATOM 0 H TRP A 49 -14.018 -12.559 -12.835 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.665 -11.733 -11.273 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -14.490 -10.624 -11.144 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.382 -10.505 -9.791 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.304 -8.751 -12.966 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -12.691 -6.779 -13.423 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -10.717 -9.919 -9.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -10.212 -5.898 -12.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.741 -8.466 -9.346 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.499 -6.483 -10.772 1.00 0.00 H new ATOM 810 N ASN A 50 -14.441 -13.038 -10.087 1.00 0.00 N ATOM 811 CA ASN A 50 -15.010 -14.061 -9.220 1.00 0.00 C ATOM 812 C ASN A 50 -16.531 -13.952 -9.229 1.00 0.00 C ATOM 813 O ASN A 50 -17.215 -14.826 -9.761 1.00 0.00 O ATOM 814 CB ASN A 50 -14.453 -13.972 -7.781 1.00 0.00 C ATOM 815 CG ASN A 50 -14.498 -12.573 -7.183 1.00 0.00 C ATOM 816 OD1 ASN A 50 -15.497 -12.168 -6.593 1.00 0.00 O ATOM 817 ND2 ASN A 50 -13.409 -11.834 -7.320 1.00 0.00 N ATOM 0 H ASN A 50 -15.121 -12.355 -10.421 1.00 0.00 H new ATOM 0 HA ASN A 50 -14.720 -15.038 -9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.020 -14.648 -7.141 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.421 -14.323 -7.780 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.379 -10.892 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -12.599 -12.206 -7.817 1.00 0.00 H new ATOM 824 N GLY A 51 -17.056 -12.868 -8.670 1.00 0.00 N ATOM 825 CA GLY A 51 -18.486 -12.643 -8.703 1.00 0.00 C ATOM 826 C GLY A 51 -18.906 -11.467 -7.849 1.00 0.00 C ATOM 827 O GLY A 51 -19.925 -10.832 -8.115 1.00 0.00 O ATOM 0 H GLY A 51 -16.517 -12.143 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.800 -12.471 -9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -19.000 -13.540 -8.359 1.00 0.00 H new ATOM 831 N ASP A 52 -18.119 -11.167 -6.827 1.00 0.00 N ATOM 832 CA ASP A 52 -18.440 -10.086 -5.914 1.00 0.00 C ATOM 833 C ASP A 52 -17.342 -9.029 -5.910 1.00 0.00 C ATOM 834 O ASP A 52 -16.251 -9.254 -5.394 1.00 0.00 O ATOM 835 CB ASP A 52 -18.655 -10.627 -4.500 1.00 0.00 C ATOM 836 CG ASP A 52 -18.874 -9.522 -3.490 1.00 0.00 C ATOM 837 OD1 ASP A 52 -19.733 -8.649 -3.736 1.00 0.00 O ATOM 838 OD2 ASP A 52 -18.194 -9.526 -2.447 1.00 0.00 O ATOM 0 H ASP A 52 -17.252 -11.659 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 52 -19.363 -9.619 -6.257 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.516 -11.296 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.789 -11.220 -4.205 1.00 0.00 H new ATOM 843 N PRO A 53 -17.618 -7.870 -6.523 1.00 0.00 N ATOM 844 CA PRO A 53 -16.693 -6.726 -6.545 1.00 0.00 C ATOM 845 C PRO A 53 -16.485 -6.095 -5.165 1.00 0.00 C ATOM 846 O PRO A 53 -15.673 -5.178 -5.008 1.00 0.00 O ATOM 847 CB PRO A 53 -17.375 -5.722 -7.484 1.00 0.00 C ATOM 848 CG PRO A 53 -18.402 -6.511 -8.223 1.00 0.00 C ATOM 849 CD PRO A 53 -18.840 -7.596 -7.285 1.00 0.00 C ATOM 0 HA PRO A 53 -15.698 -7.032 -6.868 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -17.833 -4.907 -6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.656 -5.273 -8.169 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -19.244 -5.882 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.987 -6.931 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.656 -7.270 -6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.191 -8.478 -7.821 1.00 0.00 H new ATOM 857 N GLN A 54 -17.216 -6.583 -4.166 1.00 0.00 N ATOM 858 CA GLN A 54 -17.049 -6.104 -2.802 1.00 0.00 C ATOM 859 C GLN A 54 -15.880 -6.840 -2.153 1.00 0.00 C ATOM 860 O GLN A 54 -15.442 -6.503 -1.051 1.00 0.00 O ATOM 861 CB GLN A 54 -18.333 -6.306 -1.991 1.00 0.00 C ATOM 862 CG GLN A 54 -18.298 -5.664 -0.613 1.00 0.00 C ATOM 863 CD GLN A 54 -19.521 -5.992 0.218 1.00 0.00 C ATOM 864 OE1 GLN A 54 -20.615 -6.198 -0.311 1.00 0.00 O ATOM 865 NE2 GLN A 54 -19.343 -6.044 1.526 1.00 0.00 N ATOM 0 H GLN A 54 -17.926 -7.307 -4.277 1.00 0.00 H new ATOM 0 HA GLN A 54 -16.837 -5.035 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.173 -5.896 -2.551 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -18.516 -7.375 -1.879 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -17.405 -5.997 -0.084 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -18.218 -4.582 -0.723 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -18.420 -5.867 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -20.128 -6.261 2.139 1.00 0.00 H new ATOM 874 N ARG A 55 -15.367 -7.838 -2.861 1.00 0.00 N ATOM 875 CA ARG A 55 -14.189 -8.558 -2.423 1.00 0.00 C ATOM 876 C ARG A 55 -12.953 -7.692 -2.642 1.00 0.00 C ATOM 877 O ARG A 55 -12.660 -7.292 -3.769 1.00 0.00 O ATOM 878 CB ARG A 55 -14.053 -9.889 -3.176 1.00 0.00 C ATOM 879 CG ARG A 55 -15.043 -10.954 -2.732 1.00 0.00 C ATOM 880 CD ARG A 55 -15.018 -11.147 -1.224 1.00 0.00 C ATOM 881 NE ARG A 55 -15.466 -12.485 -0.827 1.00 0.00 N ATOM 882 CZ ARG A 55 -15.502 -12.917 0.435 1.00 0.00 C ATOM 883 NH1 ARG A 55 -15.243 -12.087 1.436 1.00 0.00 N ATOM 884 NH2 ARG A 55 -15.829 -14.171 0.703 1.00 0.00 N ATOM 0 H ARG A 55 -15.755 -8.165 -3.746 1.00 0.00 H new ATOM 0 HA ARG A 55 -14.286 -8.783 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -14.185 -9.707 -4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.041 -10.270 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -16.048 -10.672 -3.047 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -14.808 -11.898 -3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.006 -10.981 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.655 -10.398 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.769 -13.125 -1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.015 -11.112 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.272 -12.424 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.055 -14.813 -0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -15.855 -14.496 1.670 1.00 0.00 H new ATOM 898 N PRO A 56 -12.237 -7.365 -1.552 1.00 0.00 N ATOM 899 CA PRO A 56 -11.078 -6.470 -1.599 1.00 0.00 C ATOM 900 C PRO A 56 -9.980 -6.976 -2.523 1.00 0.00 C ATOM 901 O PRO A 56 -9.506 -8.106 -2.389 1.00 0.00 O ATOM 902 CB PRO A 56 -10.579 -6.427 -0.149 1.00 0.00 C ATOM 903 CG PRO A 56 -11.199 -7.605 0.518 1.00 0.00 C ATOM 904 CD PRO A 56 -12.502 -7.843 -0.187 1.00 0.00 C ATOM 0 HA PRO A 56 -11.351 -5.492 -1.994 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.491 -6.479 -0.106 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.873 -5.499 0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.552 -8.479 0.446 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.359 -7.413 1.579 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.779 -8.897 -0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.319 -7.294 0.281 1.00 0.00 H new ATOM 912 N PHE A 57 -9.587 -6.132 -3.463 1.00 0.00 N ATOM 913 CA PHE A 57 -8.517 -6.456 -4.385 1.00 0.00 C ATOM 914 C PHE A 57 -7.247 -5.740 -3.942 1.00 0.00 C ATOM 915 O PHE A 57 -7.280 -4.552 -3.627 1.00 0.00 O ATOM 916 CB PHE A 57 -8.907 -6.046 -5.817 1.00 0.00 C ATOM 917 CG PHE A 57 -10.121 -6.775 -6.348 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.132 -6.105 -7.040 1.00 0.00 C ATOM 919 CD2 PHE A 57 -10.253 -8.141 -6.145 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.236 -6.791 -7.509 1.00 0.00 C ATOM 921 CE2 PHE A 57 -11.357 -8.825 -6.615 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.348 -8.151 -7.296 1.00 0.00 C ATOM 0 H PHE A 57 -9.999 -5.210 -3.606 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.340 -7.531 -4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.100 -4.973 -5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.063 -6.232 -6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.050 -5.042 -7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.482 -8.677 -5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.012 -6.263 -8.043 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.444 -9.889 -6.449 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.211 -8.686 -7.663 1.00 0.00 H new ATOM 932 N GLU A 58 -6.137 -6.459 -3.870 1.00 0.00 N ATOM 933 CA GLU A 58 -4.889 -5.844 -3.455 1.00 0.00 C ATOM 934 C GLU A 58 -3.980 -5.625 -4.653 1.00 0.00 C ATOM 935 O GLU A 58 -3.608 -6.578 -5.335 1.00 0.00 O ATOM 936 CB GLU A 58 -4.167 -6.706 -2.421 1.00 0.00 C ATOM 937 CG GLU A 58 -4.963 -6.955 -1.151 1.00 0.00 C ATOM 938 CD GLU A 58 -4.129 -7.634 -0.087 1.00 0.00 C ATOM 939 OE1 GLU A 58 -3.781 -8.821 -0.262 1.00 0.00 O ATOM 940 OE2 GLU A 58 -3.791 -6.973 0.916 1.00 0.00 O ATOM 0 H GLU A 58 -6.076 -7.453 -4.090 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.130 -4.882 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.919 -7.666 -2.874 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.225 -6.225 -2.157 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.340 -6.007 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.831 -7.573 -1.382 1.00 0.00 H new ATOM 947 N ALA A 59 -3.633 -4.375 -4.906 1.00 0.00 N ATOM 948 CA ALA A 59 -2.718 -4.048 -5.983 1.00 0.00 C ATOM 949 C ALA A 59 -1.355 -3.703 -5.417 1.00 0.00 C ATOM 950 O ALA A 59 -1.203 -2.720 -4.688 1.00 0.00 O ATOM 951 CB ALA A 59 -3.253 -2.898 -6.820 1.00 0.00 C ATOM 0 H ALA A 59 -3.972 -3.570 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.622 -4.919 -6.631 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.549 -2.672 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.214 -3.178 -7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.380 -2.018 -6.190 1.00 0.00 H new ATOM 957 N ARG A 60 -0.375 -4.529 -5.726 1.00 0.00 N ATOM 958 CA ARG A 60 0.978 -4.303 -5.260 1.00 0.00 C ATOM 959 C ARG A 60 1.907 -4.044 -6.436 1.00 0.00 C ATOM 960 O ARG A 60 2.079 -4.896 -7.309 1.00 0.00 O ATOM 961 CB ARG A 60 1.454 -5.491 -4.417 1.00 0.00 C ATOM 962 CG ARG A 60 0.789 -5.544 -3.049 1.00 0.00 C ATOM 963 CD ARG A 60 1.118 -6.824 -2.292 1.00 0.00 C ATOM 964 NE ARG A 60 0.652 -6.769 -0.902 1.00 0.00 N ATOM 965 CZ ARG A 60 -0.509 -7.269 -0.473 1.00 0.00 C ATOM 966 NH1 ARG A 60 -1.303 -7.924 -1.308 1.00 0.00 N ATOM 967 NH2 ARG A 60 -0.869 -7.124 0.798 1.00 0.00 N ATOM 0 H ARG A 60 -0.491 -5.365 -6.299 1.00 0.00 H new ATOM 0 HA ARG A 60 0.993 -3.417 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.248 -6.417 -4.953 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.535 -5.431 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.108 -4.684 -2.460 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.291 -5.464 -3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.658 -7.673 -2.797 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.195 -6.989 -2.308 1.00 0.00 H new ATOM 0 HE ARG A 60 1.257 -6.318 -0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.028 -8.048 -2.282 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.189 -8.305 -0.976 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.258 -6.630 1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.757 -7.507 1.124 1.00 0.00 H new ATOM 981 N LEU A 61 2.487 -2.853 -6.454 1.00 0.00 N ATOM 982 CA LEU A 61 3.364 -2.431 -7.535 1.00 0.00 C ATOM 983 C LEU A 61 4.818 -2.595 -7.123 1.00 0.00 C ATOM 984 O LEU A 61 5.328 -1.839 -6.290 1.00 0.00 O ATOM 985 CB LEU A 61 3.094 -0.967 -7.894 1.00 0.00 C ATOM 986 CG LEU A 61 1.677 -0.660 -8.388 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.467 0.840 -8.516 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.424 -1.343 -9.721 1.00 0.00 C ATOM 0 H LEU A 61 2.363 -2.154 -5.722 1.00 0.00 H new ATOM 0 HA LEU A 61 3.166 -3.055 -8.407 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.295 -0.353 -7.016 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.802 -0.663 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 61 0.967 -1.045 -7.656 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.454 1.037 -8.868 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.611 1.312 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.184 1.248 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.413 -1.116 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.143 -0.983 -10.457 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.534 -2.421 -9.604 1.00 0.00 H new ATOM 1000 N TYR A 62 5.473 -3.591 -7.695 1.00 0.00 N ATOM 1001 CA TYR A 62 6.866 -3.862 -7.386 1.00 0.00 C ATOM 1002 C TYR A 62 7.776 -2.975 -8.221 1.00 0.00 C ATOM 1003 O TYR A 62 8.008 -3.242 -9.400 1.00 0.00 O ATOM 1004 CB TYR A 62 7.201 -5.333 -7.639 1.00 0.00 C ATOM 1005 CG TYR A 62 6.396 -6.300 -6.803 1.00 0.00 C ATOM 1006 CD1 TYR A 62 5.110 -6.668 -7.178 1.00 0.00 C ATOM 1007 CD2 TYR A 62 6.926 -6.854 -5.644 1.00 0.00 C ATOM 1008 CE1 TYR A 62 4.375 -7.560 -6.424 1.00 0.00 C ATOM 1009 CE2 TYR A 62 6.194 -7.747 -4.883 1.00 0.00 C ATOM 1010 CZ TYR A 62 4.920 -8.096 -5.278 1.00 0.00 C ATOM 1011 OH TYR A 62 4.191 -8.995 -4.531 1.00 0.00 O ATOM 0 H TYR A 62 5.061 -4.227 -8.378 1.00 0.00 H new ATOM 0 HA TYR A 62 7.027 -3.644 -6.330 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.037 -5.556 -8.693 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.261 -5.493 -7.441 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.678 -6.249 -8.075 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.924 -6.583 -5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.377 -7.837 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.618 -8.169 -3.984 1.00 0.00 H new ATOM 0 HH TYR A 62 3.805 -9.674 -5.122 1.00 0.00 H new ATOM 1021 N LEU A 63 8.265 -1.905 -7.615 1.00 0.00 N ATOM 1022 CA LEU A 63 9.184 -1.006 -8.296 1.00 0.00 C ATOM 1023 C LEU A 63 10.611 -1.354 -7.894 1.00 0.00 C ATOM 1024 O LEU A 63 11.583 -0.939 -8.526 1.00 0.00 O ATOM 1025 CB LEU A 63 8.861 0.449 -7.944 1.00 0.00 C ATOM 1026 CG LEU A 63 9.494 1.498 -8.858 1.00 0.00 C ATOM 1027 CD1 LEU A 63 8.968 1.351 -10.278 1.00 0.00 C ATOM 1028 CD2 LEU A 63 9.222 2.897 -8.328 1.00 0.00 C ATOM 0 H LEU A 63 8.042 -1.638 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 63 9.078 -1.122 -9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.779 0.579 -7.964 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.186 0.639 -6.921 1.00 0.00 H new ATOM 0 HG LEU A 63 10.572 1.340 -8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.428 2.105 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.212 0.358 -10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.886 1.484 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.679 3.632 -8.990 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.146 3.067 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.645 2.996 -7.328 1.00 0.00 H new ATOM 1040 N GLY A 64 10.706 -2.131 -6.828 1.00 0.00 N ATOM 1041 CA GLY A 64 11.974 -2.623 -6.348 1.00 0.00 C ATOM 1042 C GLY A 64 11.761 -3.806 -5.432 1.00 0.00 C ATOM 1043 O GLY A 64 10.682 -4.396 -5.433 1.00 0.00 O ATOM 0 H GLY A 64 9.904 -2.435 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.602 -2.914 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.502 -1.832 -5.816 1.00 0.00 H new ATOM 1047 N LEU A 65 12.765 -4.148 -4.641 1.00 0.00 N ATOM 1048 CA LEU A 65 12.639 -5.254 -3.699 1.00 0.00 C ATOM 1049 C LEU A 65 11.994 -4.767 -2.409 1.00 0.00 C ATOM 1050 O LEU A 65 11.267 -5.505 -1.745 1.00 0.00 O ATOM 1051 CB LEU A 65 14.001 -5.894 -3.398 1.00 0.00 C ATOM 1052 CG LEU A 65 14.568 -6.799 -4.498 1.00 0.00 C ATOM 1053 CD1 LEU A 65 15.002 -5.991 -5.712 1.00 0.00 C ATOM 1054 CD2 LEU A 65 15.730 -7.620 -3.959 1.00 0.00 C ATOM 0 H LEU A 65 13.672 -3.681 -4.630 1.00 0.00 H new ATOM 0 HA LEU A 65 12.006 -6.015 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 65 14.720 -5.099 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.913 -6.478 -2.482 1.00 0.00 H new ATOM 0 HG LEU A 65 13.776 -7.477 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.399 -6.663 -6.473 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.145 -5.452 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.773 -5.279 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.123 -8.258 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 65 16.516 -6.951 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.385 -8.240 -3.131 1.00 0.00 H new ATOM 1066 N ASP A 66 12.269 -3.517 -2.061 1.00 0.00 N ATOM 1067 CA ASP A 66 11.657 -2.897 -0.891 1.00 0.00 C ATOM 1068 C ASP A 66 10.777 -1.727 -1.308 1.00 0.00 C ATOM 1069 O ASP A 66 10.004 -1.202 -0.510 1.00 0.00 O ATOM 1070 CB ASP A 66 12.719 -2.427 0.111 1.00 0.00 C ATOM 1071 CG ASP A 66 13.613 -1.332 -0.437 1.00 0.00 C ATOM 1072 OD1 ASP A 66 14.655 -1.661 -1.040 1.00 0.00 O ATOM 1073 OD2 ASP A 66 13.288 -0.140 -0.256 1.00 0.00 O ATOM 0 H ASP A 66 12.912 -2.912 -2.572 1.00 0.00 H new ATOM 0 HA ASP A 66 11.039 -3.650 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.224 -2.066 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.335 -3.277 0.404 1.00 0.00 H new ATOM 1078 N VAL A 67 10.894 -1.322 -2.565 1.00 0.00 N ATOM 1079 CA VAL A 67 10.061 -0.254 -3.088 1.00 0.00 C ATOM 1080 C VAL A 67 8.752 -0.838 -3.603 1.00 0.00 C ATOM 1081 O VAL A 67 8.614 -1.161 -4.786 1.00 0.00 O ATOM 1082 CB VAL A 67 10.759 0.536 -4.217 1.00 0.00 C ATOM 1083 CG1 VAL A 67 9.928 1.744 -4.625 1.00 0.00 C ATOM 1084 CG2 VAL A 67 12.152 0.967 -3.789 1.00 0.00 C ATOM 0 H VAL A 67 11.554 -1.715 -3.236 1.00 0.00 H new ATOM 0 HA VAL A 67 9.870 0.444 -2.273 1.00 0.00 H new ATOM 0 HB VAL A 67 10.853 -0.121 -5.082 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.439 2.285 -5.421 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.953 1.411 -4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.796 2.402 -3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.626 1.522 -4.599 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.081 1.603 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.749 0.086 -3.555 1.00 0.00 H new ATOM 1094 N LEU A 68 7.813 -1.017 -2.691 1.00 0.00 N ATOM 1095 CA LEU A 68 6.534 -1.613 -3.022 1.00 0.00 C ATOM 1096 C LEU A 68 5.411 -0.606 -2.830 1.00 0.00 C ATOM 1097 O LEU A 68 5.196 -0.099 -1.730 1.00 0.00 O ATOM 1098 CB LEU A 68 6.286 -2.848 -2.148 1.00 0.00 C ATOM 1099 CG LEU A 68 4.962 -3.574 -2.395 1.00 0.00 C ATOM 1100 CD1 LEU A 68 4.921 -4.151 -3.800 1.00 0.00 C ATOM 1101 CD2 LEU A 68 4.756 -4.669 -1.361 1.00 0.00 C ATOM 0 H LEU A 68 7.915 -0.756 -1.710 1.00 0.00 H new ATOM 0 HA LEU A 68 6.554 -1.916 -4.069 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.102 -3.553 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.325 -2.545 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 68 4.151 -2.852 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.971 -4.663 -3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.022 -3.345 -4.527 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.740 -4.859 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.810 -5.175 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.572 -5.389 -1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.738 -4.229 -0.364 1.00 0.00 H new ATOM 1113 N ILE A 69 4.718 -0.297 -3.910 1.00 0.00 N ATOM 1114 CA ILE A 69 3.539 0.541 -3.829 1.00 0.00 C ATOM 1115 C ILE A 69 2.322 -0.342 -3.597 1.00 0.00 C ATOM 1116 O ILE A 69 1.793 -0.945 -4.529 1.00 0.00 O ATOM 1117 CB ILE A 69 3.345 1.386 -5.108 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.603 2.220 -5.384 1.00 0.00 C ATOM 1119 CG2 ILE A 69 2.124 2.290 -4.973 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.536 3.028 -6.664 1.00 0.00 C ATOM 0 H ILE A 69 4.951 -0.613 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 69 3.666 1.236 -2.999 1.00 0.00 H new ATOM 0 HB ILE A 69 3.179 0.713 -5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.769 2.898 -4.546 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.465 1.555 -5.431 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.004 2.877 -5.883 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.235 1.679 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.260 2.960 -4.124 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.462 3.590 -6.788 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.403 2.356 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.695 3.720 -6.614 1.00 0.00 H new ATOM 1132 N ARG A 70 1.913 -0.456 -2.344 1.00 0.00 N ATOM 1133 CA ARG A 70 0.804 -1.323 -1.987 1.00 0.00 C ATOM 1134 C ARG A 70 -0.452 -0.500 -1.738 1.00 0.00 C ATOM 1135 O ARG A 70 -0.453 0.443 -0.940 1.00 0.00 O ATOM 1136 CB ARG A 70 1.147 -2.174 -0.754 1.00 0.00 C ATOM 1137 CG ARG A 70 1.435 -1.365 0.502 1.00 0.00 C ATOM 1138 CD ARG A 70 1.685 -2.265 1.701 1.00 0.00 C ATOM 1139 NE ARG A 70 1.827 -1.497 2.938 1.00 0.00 N ATOM 1140 CZ ARG A 70 1.938 -2.044 4.149 1.00 0.00 C ATOM 1141 NH1 ARG A 70 1.946 -3.364 4.289 1.00 0.00 N ATOM 1142 NH2 ARG A 70 2.043 -1.268 5.218 1.00 0.00 N ATOM 0 H ARG A 70 2.332 0.041 -1.558 1.00 0.00 H new ATOM 0 HA ARG A 70 0.617 -1.999 -2.821 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.318 -2.853 -0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.016 -2.791 -0.983 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.305 -0.730 0.335 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.594 -0.704 0.711 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.860 -2.970 1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.588 -2.852 1.532 1.00 0.00 H new ATOM 0 HE ARG A 70 1.842 -0.479 2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.867 -3.964 3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.031 -3.778 5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.039 -0.253 5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.128 -1.685 6.145 1.00 0.00 H new ATOM 1156 N MET A 71 -1.516 -0.845 -2.438 1.00 0.00 N ATOM 1157 CA MET A 71 -2.776 -0.142 -2.289 1.00 0.00 C ATOM 1158 C MET A 71 -3.937 -1.127 -2.260 1.00 0.00 C ATOM 1159 O MET A 71 -4.117 -1.931 -3.178 1.00 0.00 O ATOM 1160 CB MET A 71 -2.954 0.887 -3.417 1.00 0.00 C ATOM 1161 CG MET A 71 -2.924 0.295 -4.820 1.00 0.00 C ATOM 1162 SD MET A 71 -2.870 1.554 -6.114 1.00 0.00 S ATOM 1163 CE MET A 71 -4.342 2.506 -5.747 1.00 0.00 C ATOM 0 H MET A 71 -1.533 -1.608 -3.115 1.00 0.00 H new ATOM 0 HA MET A 71 -2.765 0.394 -1.340 1.00 0.00 H new ATOM 0 HB2 MET A 71 -3.903 1.404 -3.274 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.167 1.637 -3.335 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.054 -0.355 -4.916 1.00 0.00 H new ATOM 0 HG3 MET A 71 -3.806 -0.329 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.876 2.721 -6.672 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.987 1.935 -5.079 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.059 3.442 -5.266 1.00 0.00 H new ATOM 1173 N GLU A 72 -4.698 -1.089 -1.179 1.00 0.00 N ATOM 1174 CA GLU A 72 -5.890 -1.904 -1.062 1.00 0.00 C ATOM 1175 C GLU A 72 -7.029 -1.187 -1.765 1.00 0.00 C ATOM 1176 O GLU A 72 -7.323 -0.025 -1.464 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.227 -2.147 0.408 1.00 0.00 C ATOM 1178 CG GLU A 72 -7.330 -3.168 0.626 1.00 0.00 C ATOM 1179 CD GLU A 72 -7.605 -3.410 2.094 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -6.900 -4.239 2.706 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -8.518 -2.762 2.644 1.00 0.00 O ATOM 0 H GLU A 72 -4.508 -0.499 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.726 -2.876 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.328 -2.481 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.525 -1.202 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.243 -2.824 0.139 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.051 -4.108 0.151 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.645 -1.859 -2.717 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.610 -1.214 -3.588 1.00 0.00 C ATOM 1190 C ILE A 73 -9.888 -2.028 -3.725 1.00 0.00 C ATOM 1191 O ILE A 73 -9.909 -3.239 -3.505 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.006 -0.972 -4.987 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.324 -2.249 -5.491 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.027 0.192 -4.953 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.597 -2.090 -6.804 1.00 0.00 C ATOM 0 H ILE A 73 -7.496 -2.850 -2.908 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.861 -0.259 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.808 -0.713 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.616 -2.590 -4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.076 -3.030 -5.598 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.612 0.347 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.546 1.095 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.221 -0.031 -4.254 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.144 -3.040 -7.087 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.302 -1.781 -7.575 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.819 -1.334 -6.700 1.00 0.00 H new ATOM 1207 N SER A 74 -10.955 -1.340 -4.081 1.00 0.00 N ATOM 1208 CA SER A 74 -12.233 -1.976 -4.338 1.00 0.00 C ATOM 1209 C SER A 74 -12.667 -1.647 -5.758 1.00 0.00 C ATOM 1210 O SER A 74 -12.718 -0.474 -6.132 1.00 0.00 O ATOM 1211 CB SER A 74 -13.276 -1.487 -3.325 1.00 0.00 C ATOM 1212 OG SER A 74 -14.549 -2.069 -3.555 1.00 0.00 O ATOM 0 H SER A 74 -10.961 -0.327 -4.200 1.00 0.00 H new ATOM 0 HA SER A 74 -12.140 -3.057 -4.231 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.943 -1.729 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.357 -0.402 -3.382 1.00 0.00 H new ATOM 0 HG SER A 74 -15.186 -1.735 -2.890 1.00 0.00 H new ATOM 1218 N LEU A 75 -12.946 -2.667 -6.560 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.311 -2.442 -7.951 1.00 0.00 C ATOM 1220 C LEU A 75 -14.630 -1.678 -8.040 1.00 0.00 C ATOM 1221 O LEU A 75 -15.696 -2.222 -7.755 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.428 -3.758 -8.725 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.654 -3.567 -10.221 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.341 -3.322 -10.945 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.400 -4.738 -10.835 1.00 0.00 C ATOM 0 H LEU A 75 -12.927 -3.646 -6.275 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.516 -1.849 -8.403 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.519 -4.341 -8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.252 -4.341 -8.313 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.280 -2.683 -10.341 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.532 -3.189 -12.010 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -11.868 -2.425 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.680 -4.176 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.540 -4.561 -11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -13.824 -5.652 -10.691 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.372 -4.842 -10.354 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.546 -0.413 -8.423 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.726 0.428 -8.544 1.00 0.00 C ATOM 1239 C ALA A 76 -16.016 0.728 -10.006 1.00 0.00 C ATOM 1240 O ALA A 76 -17.024 1.352 -10.339 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.537 1.720 -7.762 1.00 0.00 C ATOM 0 H ALA A 76 -13.670 0.054 -8.656 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.579 -0.108 -8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.428 2.339 -7.862 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.373 1.488 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.675 2.259 -8.154 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.123 0.276 -10.871 1.00 0.00 N ATOM 1248 CA TRP A 77 -15.239 0.517 -12.297 1.00 0.00 C ATOM 1249 C TRP A 77 -15.081 -0.780 -13.050 1.00 0.00 C ATOM 1250 O TRP A 77 -14.325 -1.663 -12.653 1.00 0.00 O ATOM 1251 CB TRP A 77 -14.153 1.468 -12.755 1.00 0.00 C ATOM 1252 CG TRP A 77 -14.559 2.508 -13.749 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.211 3.677 -13.488 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.292 2.500 -15.156 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -15.359 4.401 -14.645 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.808 3.697 -15.683 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -13.669 1.596 -16.024 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -14.716 4.015 -17.031 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.581 1.915 -17.361 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -14.100 3.116 -17.855 1.00 0.00 C ATOM 0 H TRP A 77 -14.301 -0.266 -10.605 1.00 0.00 H new ATOM 0 HA TRP A 77 -16.220 0.950 -12.494 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -13.748 1.973 -11.878 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -13.343 0.880 -13.187 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.560 3.988 -12.514 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -15.806 5.315 -14.720 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -13.265 0.666 -15.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -15.117 4.941 -17.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -13.102 1.225 -18.040 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -14.012 3.337 -18.908 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.747 -0.839 -14.160 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.776 -2.029 -14.992 1.00 0.00 C ATOM 1273 C ALA A 78 -16.243 -1.685 -16.397 1.00 0.00 C ATOM 1274 O ALA A 78 -17.345 -1.177 -16.593 1.00 0.00 O ATOM 1275 CB ALA A 78 -16.671 -3.098 -14.378 1.00 0.00 C ATOM 0 H ALA A 78 -16.295 -0.062 -14.529 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.763 -2.427 -15.052 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.677 -3.980 -15.019 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.292 -3.368 -13.393 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -17.686 -2.712 -14.283 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.375 -1.930 -17.357 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.674 -1.684 -18.758 1.00 0.00 C ATOM 1283 C ARG A 79 -15.048 -2.778 -19.628 1.00 0.00 C ATOM 1284 O ARG A 79 -14.035 -2.555 -20.293 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.160 -0.294 -19.155 1.00 0.00 C ATOM 1286 CG ARG A 79 -15.358 0.057 -20.618 1.00 0.00 C ATOM 1287 CD ARG A 79 -16.823 0.022 -21.010 1.00 0.00 C ATOM 1288 NE ARG A 79 -16.997 -0.455 -22.377 1.00 0.00 N ATOM 1289 CZ ARG A 79 -17.825 -1.440 -22.714 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -18.651 -1.958 -21.813 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -17.848 -1.889 -23.959 1.00 0.00 N ATOM 0 H ARG A 79 -14.441 -2.305 -17.191 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.753 -1.709 -18.914 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.665 0.454 -18.544 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.097 -0.233 -18.921 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -14.953 1.050 -20.812 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -14.798 -0.642 -21.239 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.369 -0.626 -20.325 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.251 1.020 -20.914 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.454 -0.009 -23.116 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.653 -1.601 -20.858 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -19.284 -2.713 -22.076 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -17.231 -1.480 -24.660 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -18.483 -2.644 -24.217 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.650 -3.967 -19.578 1.00 0.00 N ATOM 1306 CA ASP A 80 -15.182 -5.140 -20.331 1.00 0.00 C ATOM 1307 C ASP A 80 -13.728 -5.482 -20.014 1.00 0.00 C ATOM 1308 O ASP A 80 -13.453 -6.239 -19.083 1.00 0.00 O ATOM 1309 CB ASP A 80 -15.373 -4.960 -21.844 1.00 0.00 C ATOM 1310 CG ASP A 80 -16.685 -5.537 -22.337 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -16.717 -6.737 -22.683 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -17.691 -4.802 -22.383 1.00 0.00 O ATOM 0 H ASP A 80 -16.480 -4.148 -19.013 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.800 -5.978 -20.009 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.332 -3.898 -22.088 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.548 -5.440 -22.371 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.803 -4.915 -20.780 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.392 -5.188 -20.572 1.00 0.00 C ATOM 1319 C GLY A 81 -10.741 -4.175 -19.656 1.00 0.00 C ATOM 1320 O GLY A 81 -9.744 -4.474 -19.000 1.00 0.00 O ATOM 0 H GLY A 81 -13.005 -4.269 -21.543 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.276 -6.185 -20.148 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.878 -5.188 -21.533 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.304 -2.973 -19.610 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.776 -1.911 -18.765 1.00 0.00 C ATOM 1326 C LEU A 82 -11.396 -1.996 -17.380 1.00 0.00 C ATOM 1327 O LEU A 82 -12.602 -2.181 -17.247 1.00 0.00 O ATOM 1328 CB LEU A 82 -11.055 -0.539 -19.383 1.00 0.00 C ATOM 1329 CG LEU A 82 -10.402 -0.289 -20.745 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -10.805 1.073 -21.289 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -8.887 -0.394 -20.637 1.00 0.00 C ATOM 0 H LEU A 82 -12.128 -2.710 -20.150 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.696 -2.037 -18.683 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -12.133 -0.419 -19.488 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.715 0.230 -18.689 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.752 -1.053 -21.439 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -10.331 1.233 -22.258 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.888 1.113 -21.404 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.485 1.851 -20.596 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.439 -0.214 -21.614 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.521 0.348 -19.927 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.615 -1.392 -20.292 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.579 -1.869 -16.353 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.046 -2.057 -14.988 1.00 0.00 C ATOM 1345 C LEU A 83 -10.509 -0.964 -14.079 1.00 0.00 C ATOM 1346 O LEU A 83 -9.314 -0.670 -14.089 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.600 -3.427 -14.487 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.016 -4.595 -15.378 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.208 -5.827 -15.039 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -12.503 -4.877 -15.236 1.00 0.00 C ATOM 0 H LEU A 83 -9.589 -1.637 -16.435 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.134 -2.001 -14.975 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.514 -3.429 -14.391 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.008 -3.585 -13.489 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.819 -4.324 -16.415 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.515 -6.652 -15.682 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.149 -5.621 -15.194 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.377 -6.097 -13.997 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -12.778 -5.713 -15.879 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.728 -5.128 -14.199 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.070 -3.993 -15.527 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.393 -0.374 -13.290 1.00 0.00 N ATOM 1363 CA GLY A 84 -10.995 0.723 -12.435 1.00 0.00 C ATOM 1364 C GLY A 84 -11.281 0.446 -10.978 1.00 0.00 C ATOM 1365 O GLY A 84 -12.330 -0.101 -10.630 1.00 0.00 O ATOM 0 H GLY A 84 -12.377 -0.635 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.930 0.914 -12.564 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.520 1.628 -12.741 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.358 0.825 -10.122 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.492 0.559 -8.706 1.00 0.00 C ATOM 1371 C PHE A 85 -10.542 1.852 -7.916 1.00 0.00 C ATOM 1372 O PHE A 85 -9.886 2.832 -8.269 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.320 -0.281 -8.208 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.152 -1.589 -8.923 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -8.444 -1.659 -10.111 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -9.685 -2.752 -8.395 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -8.272 -2.862 -10.760 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -9.516 -3.958 -9.042 1.00 0.00 C ATOM 1379 CZ PHE A 85 -8.809 -4.012 -10.225 1.00 0.00 C ATOM 0 H PHE A 85 -9.505 1.319 -10.382 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.423 0.012 -8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.402 0.298 -8.313 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.454 -0.476 -7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -8.021 -0.760 -10.534 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.238 -2.715 -7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.718 -2.903 -11.686 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -9.937 -4.860 -8.623 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.676 -4.956 -10.732 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.326 1.839 -6.855 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.356 2.933 -5.907 1.00 0.00 C ATOM 1391 C GLU A 86 -10.390 2.622 -4.774 1.00 0.00 C ATOM 1392 O GLU A 86 -10.414 1.518 -4.219 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.765 3.120 -5.346 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.882 4.289 -4.387 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.138 4.227 -3.548 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.053 3.777 -2.387 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -15.213 4.629 -4.040 1.00 0.00 O ATOM 0 H GLU A 86 -11.958 1.071 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.063 3.855 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.460 3.267 -6.172 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.068 2.207 -4.833 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.011 4.305 -3.731 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.872 5.221 -4.952 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.535 3.573 -4.444 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.564 3.374 -3.383 1.00 0.00 C ATOM 1406 C CYS A 87 -9.265 3.302 -2.035 1.00 0.00 C ATOM 1407 O CYS A 87 -10.059 4.179 -1.690 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.531 4.501 -3.389 1.00 0.00 C ATOM 1409 SG CYS A 87 -8.233 6.148 -3.150 1.00 0.00 S ATOM 0 H CYS A 87 -9.493 4.488 -4.893 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.046 2.431 -3.556 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.799 4.312 -2.603 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.993 4.481 -4.337 1.00 0.00 H new ATOM 0 HG CYS A 87 -7.437 7.038 -3.665 1.00 0.00 H new ATOM 1415 N GLN A 88 -8.995 2.244 -1.290 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.645 2.042 -0.007 1.00 0.00 C ATOM 1417 C GLN A 88 -8.638 2.159 1.134 1.00 0.00 C ATOM 1418 O GLN A 88 -8.987 2.550 2.247 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.325 0.671 0.013 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.632 0.651 0.789 1.00 0.00 C ATOM 1421 CD GLN A 88 -12.674 1.597 0.214 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -13.523 2.113 0.938 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -12.615 1.830 -1.091 1.00 0.00 N ATOM 0 H GLN A 88 -8.332 1.514 -1.550 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.400 2.816 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.516 0.355 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.642 -0.058 0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.031 -0.363 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.437 0.920 1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -11.895 1.382 -1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.290 2.457 -1.528 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.384 1.819 0.852 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.326 1.906 1.851 1.00 0.00 C ATOM 1434 C HIS A 89 -4.959 1.946 1.172 1.00 0.00 C ATOM 1435 O HIS A 89 -4.434 0.912 0.758 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.404 0.706 2.809 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.582 0.845 4.059 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -6.063 0.516 5.306 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.306 1.260 4.252 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -5.126 0.724 6.209 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -4.048 1.174 5.598 1.00 0.00 N ATOM 0 H HIS A 89 -7.076 1.481 -0.060 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.460 2.824 2.423 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.445 0.551 3.091 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.081 -0.188 2.276 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.620 1.596 3.489 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -5.225 0.554 7.271 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.167 1.418 6.051 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.397 3.137 1.039 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.062 3.288 0.472 1.00 0.00 C ATOM 1452 C ILE A 90 -2.063 3.621 1.576 1.00 0.00 C ATOM 1453 O ILE A 90 -2.321 4.491 2.408 1.00 0.00 O ATOM 1454 CB ILE A 90 -3.013 4.393 -0.609 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -4.109 4.172 -1.656 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.642 4.418 -1.277 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -4.155 5.248 -2.722 1.00 0.00 C ATOM 0 H ILE A 90 -4.842 4.013 1.315 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.800 2.341 -0.000 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.186 5.355 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.953 3.205 -2.134 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.076 4.128 -1.154 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.621 5.200 -2.036 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.876 4.619 -0.528 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.448 3.453 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.955 5.026 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.342 6.215 -2.255 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.202 5.278 -3.250 1.00 0.00 H new ATOM 1469 N ASP A 91 -0.935 2.923 1.589 1.00 0.00 N ATOM 1470 CA ASP A 91 0.074 3.129 2.623 1.00 0.00 C ATOM 1471 C ASP A 91 0.841 4.423 2.370 1.00 0.00 C ATOM 1472 O ASP A 91 1.074 4.796 1.219 1.00 0.00 O ATOM 1473 CB ASP A 91 1.045 1.947 2.672 1.00 0.00 C ATOM 1474 CG ASP A 91 1.972 2.006 3.870 1.00 0.00 C ATOM 1475 OD1 ASP A 91 3.004 2.703 3.800 1.00 0.00 O ATOM 1476 OD2 ASP A 91 1.675 1.343 4.885 1.00 0.00 O ATOM 0 H ASP A 91 -0.695 2.212 0.899 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.435 3.203 3.584 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.478 1.016 2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.639 1.931 1.758 1.00 0.00 H new ATOM 1481 N LEU A 92 1.240 5.093 3.448 1.00 0.00 N ATOM 1482 CA LEU A 92 1.918 6.382 3.350 1.00 0.00 C ATOM 1483 C LEU A 92 3.221 6.268 2.566 1.00 0.00 C ATOM 1484 O LEU A 92 3.553 7.150 1.775 1.00 0.00 O ATOM 1485 CB LEU A 92 2.198 6.951 4.743 1.00 0.00 C ATOM 1486 CG LEU A 92 0.960 7.209 5.603 1.00 0.00 C ATOM 1487 CD1 LEU A 92 1.358 7.795 6.948 1.00 0.00 C ATOM 1488 CD2 LEU A 92 -0.011 8.135 4.883 1.00 0.00 C ATOM 0 H LEU A 92 1.105 4.762 4.403 1.00 0.00 H new ATOM 0 HA LEU A 92 1.255 7.061 2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.853 6.261 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.745 7.887 4.632 1.00 0.00 H new ATOM 0 HG LEU A 92 0.459 6.257 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.464 7.972 7.547 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.012 7.096 7.470 1.00 0.00 H new ATOM 0 HD13 LEU A 92 1.884 8.737 6.793 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.885 8.306 5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.479 9.086 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.323 7.676 3.945 1.00 0.00 H new ATOM 1500 N ASP A 93 3.946 5.174 2.769 1.00 0.00 N ATOM 1501 CA ASP A 93 5.216 4.965 2.080 1.00 0.00 C ATOM 1502 C ASP A 93 4.978 4.844 0.582 1.00 0.00 C ATOM 1503 O ASP A 93 5.728 5.389 -0.230 1.00 0.00 O ATOM 1504 CB ASP A 93 5.919 3.714 2.610 1.00 0.00 C ATOM 1505 CG ASP A 93 7.254 3.456 1.936 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.346 2.513 1.123 1.00 0.00 O ATOM 1507 OD2 ASP A 93 8.224 4.194 2.213 1.00 0.00 O ATOM 0 H ASP A 93 3.679 4.420 3.402 1.00 0.00 H new ATOM 0 HA ASP A 93 5.861 5.823 2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 93 6.074 3.818 3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.271 2.850 2.464 1.00 0.00 H new ATOM 1512 N SER A 94 3.904 4.157 0.223 1.00 0.00 N ATOM 1513 CA SER A 94 3.530 3.994 -1.170 1.00 0.00 C ATOM 1514 C SER A 94 3.128 5.338 -1.779 1.00 0.00 C ATOM 1515 O SER A 94 3.454 5.627 -2.930 1.00 0.00 O ATOM 1516 CB SER A 94 2.390 2.983 -1.285 1.00 0.00 C ATOM 1517 OG SER A 94 2.762 1.741 -0.703 1.00 0.00 O ATOM 0 H SER A 94 3.274 3.702 0.883 1.00 0.00 H new ATOM 0 HA SER A 94 4.389 3.617 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.501 3.372 -0.789 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.131 2.836 -2.334 1.00 0.00 H new ATOM 0 HG SER A 94 3.730 1.616 -0.790 1.00 0.00 H new ATOM 1523 N ILE A 95 2.442 6.163 -0.989 1.00 0.00 N ATOM 1524 CA ILE A 95 2.052 7.499 -1.428 1.00 0.00 C ATOM 1525 C ILE A 95 3.287 8.355 -1.695 1.00 0.00 C ATOM 1526 O ILE A 95 3.367 9.051 -2.713 1.00 0.00 O ATOM 1527 CB ILE A 95 1.162 8.211 -0.382 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.111 7.402 -0.123 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.813 9.621 -0.844 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -0.998 7.988 0.956 1.00 0.00 C ATOM 0 H ILE A 95 2.146 5.928 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 95 1.478 7.378 -2.347 1.00 0.00 H new ATOM 0 HB ILE A 95 1.721 8.285 0.551 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.680 7.331 -1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.166 6.386 0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.187 10.105 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.729 10.197 -0.978 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.274 9.571 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.880 7.360 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.447 8.033 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.306 8.993 0.667 1.00 0.00 H new ATOM 1542 N SER A 96 4.251 8.288 -0.785 1.00 0.00 N ATOM 1543 CA SER A 96 5.483 9.048 -0.922 1.00 0.00 C ATOM 1544 C SER A 96 6.252 8.623 -2.173 1.00 0.00 C ATOM 1545 O SER A 96 6.794 9.466 -2.890 1.00 0.00 O ATOM 1546 CB SER A 96 6.340 8.877 0.333 1.00 0.00 C ATOM 1547 OG SER A 96 5.621 9.287 1.487 1.00 0.00 O ATOM 0 H SER A 96 4.201 7.714 0.056 1.00 0.00 H new ATOM 0 HA SER A 96 5.233 10.103 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.640 7.834 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.254 9.464 0.239 1.00 0.00 H new ATOM 0 HG SER A 96 4.905 8.644 1.672 1.00 0.00 H new ATOM 1553 N HIS A 97 6.278 7.319 -2.448 1.00 0.00 N ATOM 1554 CA HIS A 97 6.914 6.818 -3.665 1.00 0.00 C ATOM 1555 C HIS A 97 6.188 7.338 -4.896 1.00 0.00 C ATOM 1556 O HIS A 97 6.814 7.802 -5.846 1.00 0.00 O ATOM 1557 CB HIS A 97 6.924 5.284 -3.719 1.00 0.00 C ATOM 1558 CG HIS A 97 7.747 4.621 -2.662 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.027 5.004 -2.343 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.451 3.589 -1.844 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.484 4.235 -1.374 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.545 3.366 -1.049 1.00 0.00 N ATOM 0 H HIS A 97 5.871 6.598 -1.852 1.00 0.00 H new ATOM 0 HA HIS A 97 7.944 7.176 -3.651 1.00 0.00 H new ATOM 0 HB2 HIS A 97 5.898 4.926 -3.638 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.294 4.972 -4.696 1.00 0.00 H new ATOM 0 HD2 HIS A 97 6.522 3.039 -1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.462 4.305 -0.922 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.621 2.649 -0.327 1.00 0.00 H new ATOM 1571 N LEU A 98 4.861 7.270 -4.855 1.00 0.00 N ATOM 1572 CA LEU A 98 4.028 7.618 -5.997 1.00 0.00 C ATOM 1573 C LEU A 98 4.244 9.063 -6.438 1.00 0.00 C ATOM 1574 O LEU A 98 4.605 9.317 -7.587 1.00 0.00 O ATOM 1575 CB LEU A 98 2.549 7.391 -5.663 1.00 0.00 C ATOM 1576 CG LEU A 98 1.572 7.636 -6.816 1.00 0.00 C ATOM 1577 CD1 LEU A 98 1.835 6.664 -7.957 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.135 7.513 -6.329 1.00 0.00 C ATOM 0 H LEU A 98 4.336 6.973 -4.032 1.00 0.00 H new ATOM 0 HA LEU A 98 4.319 6.970 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.425 6.365 -5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.277 8.043 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 98 1.725 8.649 -7.188 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.130 6.854 -8.767 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.853 6.799 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.710 5.642 -7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.547 7.690 -7.160 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.030 6.512 -5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.048 8.249 -5.546 1.00 0.00 H new ATOM 1590 N ARG A 99 4.043 10.010 -5.526 1.00 0.00 N ATOM 1591 CA ARG A 99 4.126 11.419 -5.891 1.00 0.00 C ATOM 1592 C ARG A 99 5.552 11.812 -6.259 1.00 0.00 C ATOM 1593 O ARG A 99 5.762 12.561 -7.210 1.00 0.00 O ATOM 1594 CB ARG A 99 3.600 12.328 -4.780 1.00 0.00 C ATOM 1595 CG ARG A 99 3.590 13.792 -5.189 1.00 0.00 C ATOM 1596 CD ARG A 99 2.907 14.683 -4.169 1.00 0.00 C ATOM 1597 NE ARG A 99 2.781 16.047 -4.675 1.00 0.00 N ATOM 1598 CZ ARG A 99 1.629 16.699 -4.793 1.00 0.00 C ATOM 1599 NH1 ARG A 99 0.508 16.167 -4.318 1.00 0.00 N ATOM 1600 NH2 ARG A 99 1.602 17.893 -5.374 1.00 0.00 N ATOM 0 H ARG A 99 3.825 9.832 -4.546 1.00 0.00 H new ATOM 0 HA ARG A 99 3.490 11.555 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.589 12.021 -4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.218 12.206 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.616 14.131 -5.332 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.084 13.893 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.920 14.285 -3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.479 14.686 -3.241 1.00 0.00 H new ATOM 0 HE ARG A 99 3.633 16.531 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.530 15.255 -3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.374 16.670 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.464 18.307 -5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 99 0.719 18.396 -5.466 1.00 0.00 H new ATOM 1614 N ARG A 100 6.530 11.307 -5.515 1.00 0.00 N ATOM 1615 CA ARG A 100 7.931 11.587 -5.818 1.00 0.00 C ATOM 1616 C ARG A 100 8.300 11.052 -7.199 1.00 0.00 C ATOM 1617 O ARG A 100 9.050 11.688 -7.940 1.00 0.00 O ATOM 1618 CB ARG A 100 8.852 10.984 -4.755 1.00 0.00 C ATOM 1619 CG ARG A 100 9.367 11.985 -3.727 1.00 0.00 C ATOM 1620 CD ARG A 100 8.241 12.718 -3.009 1.00 0.00 C ATOM 1621 NE ARG A 100 7.992 14.049 -3.571 1.00 0.00 N ATOM 1622 CZ ARG A 100 7.575 15.092 -2.848 1.00 0.00 C ATOM 1623 NH1 ARG A 100 7.368 14.959 -1.543 1.00 0.00 N ATOM 1624 NH2 ARG A 100 7.374 16.273 -3.423 1.00 0.00 N ATOM 0 H ARG A 100 6.382 10.706 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 100 8.065 12.669 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.315 10.191 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.704 10.520 -5.251 1.00 0.00 H new ATOM 0 HG2 ARG A 100 9.982 11.463 -2.994 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.010 12.712 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG A 100 7.329 12.125 -3.069 1.00 0.00 H new ATOM 0 HD3 ARG A 100 8.490 12.814 -1.952 1.00 0.00 H new ATOM 0 HE ARG A 100 8.146 14.186 -4.570 1.00 0.00 H new ATOM 0 HH11 ARG A 100 7.527 14.059 -1.090 1.00 0.00 H new ATOM 0 HH12 ARG A 100 7.050 15.757 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.538 16.388 -4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.056 17.065 -2.864 1.00 0.00 H new ATOM 1638 N LEU A 101 7.758 9.889 -7.542 1.00 0.00 N ATOM 1639 CA LEU A 101 7.978 9.298 -8.855 1.00 0.00 C ATOM 1640 C LEU A 101 7.411 10.204 -9.938 1.00 0.00 C ATOM 1641 O LEU A 101 8.122 10.594 -10.854 1.00 0.00 O ATOM 1642 CB LEU A 101 7.328 7.913 -8.933 1.00 0.00 C ATOM 1643 CG LEU A 101 7.613 7.128 -10.213 1.00 0.00 C ATOM 1644 CD1 LEU A 101 9.101 6.837 -10.344 1.00 0.00 C ATOM 1645 CD2 LEU A 101 6.812 5.836 -10.228 1.00 0.00 C ATOM 0 H LEU A 101 7.162 9.336 -6.926 1.00 0.00 H new ATOM 0 HA LEU A 101 9.051 9.188 -9.012 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.667 7.323 -8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.249 8.030 -8.831 1.00 0.00 H new ATOM 0 HG LEU A 101 7.309 7.735 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.283 6.277 -11.262 1.00 0.00 H new ATOM 0 HD12 LEU A 101 9.654 7.776 -10.376 1.00 0.00 H new ATOM 0 HD13 LEU A 101 9.433 6.249 -9.489 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.025 5.287 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.089 5.226 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.748 6.067 -10.182 1.00 0.00 H new ATOM 1657 N VAL A 102 6.136 10.559 -9.802 1.00 0.00 N ATOM 1658 CA VAL A 102 5.463 11.425 -10.771 1.00 0.00 C ATOM 1659 C VAL A 102 6.161 12.786 -10.876 1.00 0.00 C ATOM 1660 O VAL A 102 6.224 13.386 -11.954 1.00 0.00 O ATOM 1661 CB VAL A 102 3.980 11.639 -10.390 1.00 0.00 C ATOM 1662 CG1 VAL A 102 3.280 12.544 -11.393 1.00 0.00 C ATOM 1663 CG2 VAL A 102 3.259 10.305 -10.288 1.00 0.00 C ATOM 0 H VAL A 102 5.544 10.260 -9.027 1.00 0.00 H new ATOM 0 HA VAL A 102 5.514 10.925 -11.738 1.00 0.00 H new ATOM 0 HB VAL A 102 3.951 12.128 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 102 2.239 12.676 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.776 13.514 -11.416 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.323 12.091 -12.383 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.216 10.475 -10.019 1.00 0.00 H new ATOM 0 HG22 VAL A 102 3.307 9.791 -11.248 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.736 9.691 -9.524 1.00 0.00 H new ATOM 1673 N GLU A 103 6.693 13.252 -9.754 1.00 0.00 N ATOM 1674 CA GLU A 103 7.398 14.525 -9.693 1.00 0.00 C ATOM 1675 C GLU A 103 8.639 14.504 -10.586 1.00 0.00 C ATOM 1676 O GLU A 103 8.813 15.373 -11.442 1.00 0.00 O ATOM 1677 CB GLU A 103 7.783 14.823 -8.242 1.00 0.00 C ATOM 1678 CG GLU A 103 8.457 16.168 -8.033 1.00 0.00 C ATOM 1679 CD GLU A 103 8.640 16.488 -6.565 1.00 0.00 C ATOM 1680 OE1 GLU A 103 7.722 17.092 -5.969 1.00 0.00 O ATOM 1681 OE2 GLU A 103 9.688 16.124 -5.994 1.00 0.00 O ATOM 0 H GLU A 103 6.648 12.759 -8.862 1.00 0.00 H new ATOM 0 HA GLU A 103 6.740 15.313 -10.059 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.885 14.781 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.450 14.037 -7.888 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.428 16.168 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.860 16.950 -8.503 1.00 0.00 H new ATOM 1688 N LEU A 104 9.484 13.498 -10.399 1.00 0.00 N ATOM 1689 CA LEU A 104 10.696 13.359 -11.202 1.00 0.00 C ATOM 1690 C LEU A 104 10.361 12.861 -12.607 1.00 0.00 C ATOM 1691 O LEU A 104 11.131 13.055 -13.546 1.00 0.00 O ATOM 1692 CB LEU A 104 11.695 12.404 -10.533 1.00 0.00 C ATOM 1693 CG LEU A 104 12.559 13.012 -9.417 1.00 0.00 C ATOM 1694 CD1 LEU A 104 11.711 13.460 -8.236 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.612 12.014 -8.962 1.00 0.00 C ATOM 0 H LEU A 104 9.354 12.767 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 104 11.156 14.344 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.141 11.561 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.357 12.004 -11.301 1.00 0.00 H new ATOM 0 HG LEU A 104 13.056 13.893 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.355 13.885 -7.466 1.00 0.00 H new ATOM 0 HD12 LEU A 104 10.996 14.213 -8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 104 11.174 12.604 -7.828 1.00 0.00 H new ATOM 0 HD21 LEU A 104 14.217 12.458 -8.171 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.123 11.116 -8.584 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.252 11.751 -9.804 1.00 0.00 H new ATOM 1707 N ASN A 105 9.203 12.230 -12.735 1.00 0.00 N ATOM 1708 CA ASN A 105 8.741 11.696 -14.013 1.00 0.00 C ATOM 1709 C ASN A 105 8.239 12.822 -14.911 1.00 0.00 C ATOM 1710 O ASN A 105 8.149 12.663 -16.130 1.00 0.00 O ATOM 1711 CB ASN A 105 7.614 10.684 -13.781 1.00 0.00 C ATOM 1712 CG ASN A 105 7.422 9.731 -14.943 1.00 0.00 C ATOM 1713 OD1 ASN A 105 6.680 10.010 -15.886 1.00 0.00 O ATOM 1714 ND2 ASN A 105 8.083 8.587 -14.874 1.00 0.00 N ATOM 0 H ASN A 105 8.558 12.073 -11.961 1.00 0.00 H new ATOM 0 HA ASN A 105 9.578 11.200 -14.503 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.829 10.110 -12.880 1.00 0.00 H new ATOM 0 HB3 ASN A 105 6.683 11.221 -13.602 1.00 0.00 H new ATOM 0 HD21 ASN A 105 7.988 7.897 -15.619 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.688 8.395 -14.075 1.00 0.00 H new ATOM 1721 N LEU A 106 7.916 13.960 -14.285 1.00 0.00 N ATOM 1722 CA LEU A 106 7.387 15.130 -14.985 1.00 0.00 C ATOM 1723 C LEU A 106 6.032 14.792 -15.610 1.00 0.00 C ATOM 1724 O LEU A 106 5.719 15.204 -16.728 1.00 0.00 O ATOM 1725 CB LEU A 106 8.378 15.620 -16.054 1.00 0.00 C ATOM 1726 CG LEU A 106 8.612 17.137 -16.098 1.00 0.00 C ATOM 1727 CD1 LEU A 106 9.698 17.475 -17.106 1.00 0.00 C ATOM 1728 CD2 LEU A 106 7.330 17.884 -16.436 1.00 0.00 C ATOM 0 H LEU A 106 8.015 14.093 -13.279 1.00 0.00 H new ATOM 0 HA LEU A 106 7.248 15.938 -14.266 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.336 15.128 -15.888 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.019 15.298 -17.031 1.00 0.00 H new ATOM 0 HG LEU A 106 8.936 17.455 -15.107 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.853 18.554 -17.126 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.626 16.980 -16.820 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.395 17.133 -18.096 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.529 18.955 -16.459 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.967 17.561 -17.412 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.575 17.672 -15.679 1.00 0.00 H new ATOM 1740 N GLY A 107 5.226 14.046 -14.865 1.00 0.00 N ATOM 1741 CA GLY A 107 3.922 13.647 -15.357 1.00 0.00 C ATOM 1742 C GLY A 107 2.823 14.609 -14.951 1.00 0.00 C ATOM 1743 O GLY A 107 1.700 14.504 -15.442 1.00 0.00 O ATOM 0 H GLY A 107 5.452 13.710 -13.929 1.00 0.00 H new ATOM 0 HA2 GLY A 107 3.954 13.577 -16.444 1.00 0.00 H new ATOM 0 HA3 GLY A 107 3.685 12.652 -14.981 1.00 0.00 H new ATOM 1747 N ASP A 108 3.165 15.544 -14.057 1.00 0.00 N ATOM 1748 CA ASP A 108 2.223 16.541 -13.526 1.00 0.00 C ATOM 1749 C ASP A 108 1.225 15.888 -12.563 1.00 0.00 C ATOM 1750 O ASP A 108 0.835 14.732 -12.735 1.00 0.00 O ATOM 1751 CB ASP A 108 1.484 17.274 -14.657 1.00 0.00 C ATOM 1752 CG ASP A 108 0.739 18.500 -14.168 1.00 0.00 C ATOM 1753 OD1 ASP A 108 -0.431 18.370 -13.759 1.00 0.00 O ATOM 1754 OD2 ASP A 108 1.321 19.607 -14.183 1.00 0.00 O ATOM 0 H ASP A 108 4.108 15.632 -13.678 1.00 0.00 H new ATOM 0 HA ASP A 108 2.803 17.280 -12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.201 17.571 -15.422 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.779 16.589 -15.129 1.00 0.00 H new ATOM 1759 N GLU A 109 0.818 16.629 -11.539 1.00 0.00 N ATOM 1760 CA GLU A 109 -0.011 16.066 -10.477 1.00 0.00 C ATOM 1761 C GLU A 109 -1.498 16.094 -10.827 1.00 0.00 C ATOM 1762 O GLU A 109 -2.322 15.578 -10.070 1.00 0.00 O ATOM 1763 CB GLU A 109 0.224 16.812 -9.163 1.00 0.00 C ATOM 1764 CG GLU A 109 -0.198 18.273 -9.200 1.00 0.00 C ATOM 1765 CD GLU A 109 0.007 18.963 -7.870 1.00 0.00 C ATOM 1766 OE1 GLU A 109 1.009 19.693 -7.726 1.00 0.00 O ATOM 1767 OE2 GLU A 109 -0.824 18.766 -6.958 1.00 0.00 O ATOM 0 H GLU A 109 1.046 17.616 -11.421 1.00 0.00 H new ATOM 0 HA GLU A 109 0.284 15.023 -10.363 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.322 16.306 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.283 16.756 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 109 0.372 18.794 -9.969 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.249 18.338 -9.483 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.840 16.687 -11.967 1.00 0.00 N ATOM 1775 CA GLU A 110 -3.237 16.792 -12.382 1.00 0.00 C ATOM 1776 C GLU A 110 -3.853 15.406 -12.530 1.00 0.00 C ATOM 1777 O GLU A 110 -4.985 15.169 -12.114 1.00 0.00 O ATOM 1778 CB GLU A 110 -3.355 17.547 -13.705 1.00 0.00 C ATOM 1779 CG GLU A 110 -4.786 17.882 -14.088 1.00 0.00 C ATOM 1780 CD GLU A 110 -4.894 18.497 -15.467 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -5.336 17.793 -16.394 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -4.544 19.689 -15.625 1.00 0.00 O ATOM 0 H GLU A 110 -1.173 17.101 -12.618 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.775 17.345 -11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.780 18.470 -13.639 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -2.906 16.948 -14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.389 16.975 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.202 18.572 -13.354 1.00 0.00 H new ATOM 1789 N LEU A 111 -3.084 14.490 -13.102 1.00 0.00 N ATOM 1790 CA LEU A 111 -3.541 13.125 -13.330 1.00 0.00 C ATOM 1791 C LEU A 111 -3.961 12.463 -12.022 1.00 0.00 C ATOM 1792 O LEU A 111 -4.945 11.725 -11.969 1.00 0.00 O ATOM 1793 CB LEU A 111 -2.426 12.311 -13.979 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.878 12.889 -15.283 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.622 12.145 -15.697 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.926 12.820 -16.383 1.00 0.00 C ATOM 0 H LEU A 111 -2.131 14.670 -13.420 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.406 13.160 -13.992 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -1.605 12.216 -13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.797 11.305 -14.173 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.626 13.937 -15.119 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.240 12.565 -16.627 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.133 12.244 -14.917 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.856 11.091 -15.844 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.516 13.237 -17.303 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.210 11.781 -16.550 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.804 13.393 -16.085 1.00 0.00 H new ATOM 1808 N LEU A 112 -3.221 12.758 -10.965 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.457 12.147 -9.668 1.00 0.00 C ATOM 1810 C LEU A 112 -4.699 12.723 -8.996 1.00 0.00 C ATOM 1811 O LEU A 112 -5.338 12.047 -8.188 1.00 0.00 O ATOM 1812 CB LEU A 112 -2.242 12.350 -8.758 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.950 11.678 -9.230 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.203 12.036 -8.306 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -1.128 10.168 -9.292 1.00 0.00 C ATOM 0 H LEU A 112 -2.447 13.422 -10.981 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.619 11.081 -9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -2.059 13.420 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.486 11.973 -7.765 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.718 12.042 -10.231 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.114 11.550 -8.656 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.346 13.117 -8.304 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.023 11.698 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -0.200 9.706 -9.629 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -1.382 9.791 -8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.929 9.924 -9.990 1.00 0.00 H new ATOM 1827 N GLU A 113 -5.064 13.951 -9.358 1.00 0.00 N ATOM 1828 CA GLU A 113 -6.108 14.664 -8.638 1.00 0.00 C ATOM 1829 C GLU A 113 -7.179 15.213 -9.588 1.00 0.00 C ATOM 1830 O GLU A 113 -7.694 16.315 -9.401 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.485 15.790 -7.802 1.00 0.00 C ATOM 1832 CG GLU A 113 -6.418 16.351 -6.737 1.00 0.00 C ATOM 1833 CD GLU A 113 -7.011 15.270 -5.854 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -8.034 14.670 -6.246 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -6.459 15.009 -4.768 1.00 0.00 O ATOM 0 H GLU A 113 -4.655 14.466 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.605 13.960 -7.971 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.582 15.415 -7.320 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.180 16.598 -8.467 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -5.871 17.062 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.224 16.904 -7.220 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.509 14.447 -10.618 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.709 14.736 -11.399 1.00 0.00 C ATOM 1844 C ARG A 114 -9.884 13.933 -10.845 1.00 0.00 C ATOM 1845 O ARG A 114 -10.532 14.367 -9.897 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.508 14.464 -12.897 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.635 15.505 -13.583 1.00 0.00 C ATOM 1848 CD ARG A 114 -7.701 15.402 -15.100 1.00 0.00 C ATOM 1849 NE ARG A 114 -7.160 14.141 -15.607 1.00 0.00 N ATOM 1850 CZ ARG A 114 -7.138 13.816 -16.902 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -7.633 14.651 -17.811 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -6.622 12.655 -17.294 1.00 0.00 N ATOM 0 H ARG A 114 -6.976 13.635 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.925 15.800 -11.307 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -8.057 13.480 -13.024 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -9.481 14.434 -13.388 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.951 16.502 -13.274 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.602 15.382 -13.257 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -8.738 15.503 -15.422 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -7.149 16.232 -15.540 1.00 0.00 H new ATOM 0 HE ARG A 114 -6.779 13.474 -14.935 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -8.031 15.544 -17.520 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -7.614 14.399 -18.799 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -6.240 12.008 -16.604 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -6.608 12.412 -18.284 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.124 12.748 -11.400 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.151 11.843 -10.888 1.00 0.00 C ATOM 1868 C GLU A 115 -11.030 10.522 -11.645 1.00 0.00 C ATOM 1869 O GLU A 115 -10.337 10.471 -12.656 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.543 12.471 -11.086 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.576 12.106 -10.027 1.00 0.00 C ATOM 1872 CD GLU A 115 -14.118 10.704 -10.181 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -14.943 10.480 -11.083 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -13.704 9.815 -9.410 1.00 0.00 O ATOM 0 H GLU A 115 -9.618 12.390 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.017 11.665 -9.821 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.435 13.555 -11.107 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.924 12.170 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.126 12.208 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.402 12.815 -10.075 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.669 9.464 -11.159 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.649 8.177 -11.851 1.00 0.00 C ATOM 1883 C LEU A 116 -12.431 8.273 -13.159 1.00 0.00 C ATOM 1884 O LEU A 116 -11.981 7.792 -14.195 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.210 7.065 -10.947 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.668 5.784 -11.658 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -11.518 5.121 -12.404 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -13.278 4.817 -10.653 1.00 0.00 C ATOM 0 H LEU A 116 -12.206 9.470 -10.292 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.616 7.921 -12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.446 6.798 -10.217 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.055 7.469 -10.390 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.425 6.058 -12.393 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.877 4.217 -12.896 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.124 5.809 -13.152 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.728 4.861 -11.699 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.600 3.912 -11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.535 4.560 -9.898 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -14.137 5.285 -10.172 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.589 8.924 -13.116 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.364 9.172 -14.326 1.00 0.00 C ATOM 1902 C ALA A 117 -13.635 10.154 -15.243 1.00 0.00 C ATOM 1903 O ALA A 117 -13.933 10.251 -16.434 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.745 9.698 -13.976 1.00 0.00 C ATOM 0 H ALA A 117 -14.010 9.288 -12.261 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.478 8.227 -14.857 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.309 9.877 -14.891 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.270 8.964 -13.364 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.649 10.631 -13.420 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.671 10.873 -14.678 1.00 0.00 N ATOM 1911 CA LEU A 118 -11.861 11.810 -15.444 1.00 0.00 C ATOM 1912 C LEU A 118 -10.536 11.167 -15.841 1.00 0.00 C ATOM 1913 O LEU A 118 -9.648 11.827 -16.378 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.602 13.087 -14.640 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.849 13.900 -14.285 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -12.462 15.151 -13.513 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.625 14.267 -15.541 1.00 0.00 C ATOM 0 H LEU A 118 -12.432 10.823 -13.688 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.411 12.074 -16.347 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.089 12.818 -13.717 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.923 13.723 -15.208 1.00 0.00 H new ATOM 0 HG LEU A 118 -13.492 13.287 -13.653 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.359 15.719 -13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.949 14.867 -12.594 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.800 15.765 -14.123 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -14.508 14.845 -15.267 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.992 14.862 -16.199 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.932 13.358 -16.058 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.411 9.877 -15.570 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.205 9.137 -15.901 1.00 0.00 C ATOM 1931 C LEU A 119 -9.528 8.001 -16.857 1.00 0.00 C ATOM 1932 O LEU A 119 -10.307 7.105 -16.533 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.546 8.576 -14.638 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.161 9.141 -14.317 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -7.241 10.632 -14.028 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -6.545 8.399 -13.141 1.00 0.00 C ATOM 0 H LEU A 119 -11.136 9.319 -15.119 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.509 9.824 -16.382 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.203 8.767 -13.790 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.464 7.494 -14.741 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.522 8.999 -15.188 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.245 11.013 -13.802 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.639 11.151 -14.900 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.897 10.802 -13.174 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.560 8.813 -12.925 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.185 8.510 -12.265 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.448 7.342 -13.388 1.00 0.00 H new ATOM 1948 N VAL A 120 -8.950 8.056 -18.043 1.00 0.00 N ATOM 1949 CA VAL A 120 -9.113 6.994 -19.017 1.00 0.00 C ATOM 1950 C VAL A 120 -7.742 6.527 -19.478 1.00 0.00 C ATOM 1951 O VAL A 120 -6.832 7.345 -19.646 1.00 0.00 O ATOM 1952 CB VAL A 120 -9.947 7.441 -20.242 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -10.323 6.239 -21.099 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -11.193 8.201 -19.809 1.00 0.00 C ATOM 0 H VAL A 120 -8.361 8.828 -18.355 1.00 0.00 H new ATOM 0 HA VAL A 120 -9.655 6.180 -18.535 1.00 0.00 H new ATOM 0 HB VAL A 120 -9.334 8.115 -20.840 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -10.909 6.572 -21.956 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -9.417 5.744 -21.449 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -10.912 5.540 -20.506 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -11.760 8.503 -20.690 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -11.812 7.559 -19.182 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -10.901 9.087 -19.244 1.00 0.00 H new ATOM 1964 N SER A 121 -7.600 5.222 -19.674 1.00 0.00 N ATOM 1965 CA SER A 121 -6.320 4.624 -20.026 1.00 0.00 C ATOM 1966 C SER A 121 -5.800 5.160 -21.355 1.00 0.00 C ATOM 1967 O SER A 121 -6.534 5.829 -22.083 1.00 0.00 O ATOM 1968 CB SER A 121 -6.471 3.107 -20.085 1.00 0.00 C ATOM 1969 OG SER A 121 -7.535 2.735 -20.948 1.00 0.00 O ATOM 0 H SER A 121 -8.365 4.552 -19.594 1.00 0.00 H new ATOM 0 HA SER A 121 -5.591 4.890 -19.261 1.00 0.00 H new ATOM 0 HB2 SER A 121 -5.541 2.659 -20.434 1.00 0.00 H new ATOM 0 HB3 SER A 121 -6.657 2.717 -19.084 1.00 0.00 H new ATOM 0 HG SER A 121 -7.420 1.802 -21.225 1.00 0.00 H new ATOM 1975 N ALA A 122 -4.535 4.850 -21.657 1.00 0.00 N ATOM 1976 CA ALA A 122 -3.878 5.281 -22.895 1.00 0.00 C ATOM 1977 C ALA A 122 -4.804 5.164 -24.103 1.00 0.00 C ATOM 1978 O ALA A 122 -4.860 6.060 -24.944 1.00 0.00 O ATOM 1979 CB ALA A 122 -2.612 4.471 -23.124 1.00 0.00 C ATOM 0 H ALA A 122 -3.937 4.292 -21.048 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.619 6.334 -22.781 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.132 4.799 -24.046 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -1.929 4.618 -22.287 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.866 3.414 -23.203 1.00 0.00 H new ATOM 1985 N HIS A 123 -5.528 4.057 -24.182 1.00 0.00 N ATOM 1986 CA HIS A 123 -6.552 3.901 -25.198 1.00 0.00 C ATOM 1987 C HIS A 123 -7.866 4.497 -24.697 1.00 0.00 C ATOM 1988 O HIS A 123 -8.688 3.800 -24.102 1.00 0.00 O ATOM 1989 CB HIS A 123 -6.739 2.421 -25.566 1.00 0.00 C ATOM 1990 CG HIS A 123 -7.779 2.181 -26.625 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -7.491 2.140 -27.968 1.00 0.00 N ATOM 1992 CD2 HIS A 123 -9.114 1.972 -26.525 1.00 0.00 C ATOM 1993 CE1 HIS A 123 -8.599 1.923 -28.650 1.00 0.00 C ATOM 1994 NE2 HIS A 123 -9.600 1.816 -27.797 1.00 0.00 N ATOM 0 H HIS A 123 -5.424 3.258 -23.556 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.237 4.431 -26.097 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -5.786 2.019 -25.910 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -7.014 1.866 -24.669 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -9.689 1.935 -25.612 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -8.674 1.846 -29.725 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -10.575 1.645 -28.044 1.00 0.00 H new ATOM 2003 N ASP A 124 -8.033 5.799 -24.889 1.00 0.00 N ATOM 2004 CA ASP A 124 -9.285 6.458 -24.542 1.00 0.00 C ATOM 2005 C ASP A 124 -10.170 6.568 -25.774 1.00 0.00 C ATOM 2006 O ASP A 124 -11.373 6.315 -25.709 1.00 0.00 O ATOM 2007 CB ASP A 124 -9.044 7.843 -23.909 1.00 0.00 C ATOM 2008 CG ASP A 124 -8.313 8.815 -24.815 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -7.066 8.787 -24.836 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -8.978 9.628 -25.488 1.00 0.00 O ATOM 0 H ASP A 124 -7.322 6.416 -25.281 1.00 0.00 H new ATOM 0 HA ASP A 124 -9.794 5.850 -23.794 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -10.005 8.275 -23.629 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -8.471 7.717 -22.990 1.00 0.00 H new ATOM 2015 N ASP A 125 -9.558 6.921 -26.897 1.00 0.00 N ATOM 2016 CA ASP A 125 -10.249 6.981 -28.180 1.00 0.00 C ATOM 2017 C ASP A 125 -9.247 7.292 -29.278 1.00 0.00 C ATOM 2018 O ASP A 125 -8.758 6.343 -29.921 1.00 0.00 O ATOM 2019 CB ASP A 125 -11.361 8.036 -28.173 1.00 0.00 C ATOM 2020 CG ASP A 125 -12.227 7.964 -29.416 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -11.985 8.736 -30.366 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -13.157 7.127 -29.451 1.00 0.00 O ATOM 0 H ASP A 125 -8.571 7.173 -26.945 1.00 0.00 H new ATOM 0 HA ASP A 125 -10.713 6.012 -28.363 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -11.984 7.898 -27.290 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -10.917 9.029 -28.099 1.00 0.00 H new TER 2027 ASP A 125