USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 SER OG : rot -29:sc=-0.00673 USER MOD Set 1.2: A 66 THR OG1 : rot -157:sc= 1.17 USER MOD Set 2.1: A 9 ASN : amide:sc= 1.03 K(o=2.6,f=-8.3!) USER MOD Set 2.2: A 21 LYS NZ :NH3+ -123:sc= 1.53 (180deg=0.401) USER MOD Single : A 1 MET CE :methyl 170:sc=-0.00167 (180deg=-0.142) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.11 (180deg=0.678) USER MOD Single : A 2 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.81) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 22 HIS : no HD1:sc= -0.062 X(o=-0.062,f=-0.065) USER MOD Single : A 23 THR OG1 : rot -39:sc= 0.34 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 130:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.389 K(o=-0.39,f=-6.7!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -170:sc= -0.0338 (180deg=-0.202) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 47 THR OG1 : rot 80:sc= 0.72 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00599 X(o=-0.006,f=-0.006) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 72 SER OG : rot -130:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0737 X(o=-0.074,f=-0.015) USER MOD Single : A 80 LYS NZ :NH3+ -174:sc= 0.677 (180deg=0.649) USER MOD Single : A 82 SER OG : rot 107:sc= 0.341 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.566 -8.329 -4.989 1.00 0.00 N ATOM 2 CA MET A 1 -7.099 -8.113 -4.990 1.00 0.00 C ATOM 3 C MET A 1 -6.369 -9.356 -4.497 1.00 0.00 C ATOM 4 O MET A 1 -6.874 -10.086 -3.647 1.00 0.00 O ATOM 5 CB MET A 1 -6.711 -6.879 -4.132 1.00 0.00 C ATOM 6 CG MET A 1 -7.144 -5.550 -4.744 1.00 0.00 C ATOM 7 SD MET A 1 -8.936 -5.407 -4.955 1.00 0.00 S ATOM 8 CE MET A 1 -9.499 -5.328 -3.252 1.00 0.00 C ATOM 0 H1 MET A 1 -9.052 -7.410 -4.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.840 -8.854 -5.844 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.836 -8.875 -4.146 1.00 0.00 H new ATOM 0 HA MET A 1 -6.794 -7.918 -6.018 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.160 -6.978 -3.144 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.630 -6.870 -3.991 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.794 -4.735 -4.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.661 -5.430 -5.714 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.556 -5.062 -3.230 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.360 -6.299 -2.777 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.924 -4.575 -2.713 1.00 0.00 H new ATOM 18 N GLN A 2 -5.179 -9.582 -5.055 1.00 0.00 N ATOM 19 CA GLN A 2 -4.287 -10.682 -4.667 1.00 0.00 C ATOM 20 C GLN A 2 -3.336 -10.168 -3.595 1.00 0.00 C ATOM 21 O GLN A 2 -3.133 -10.783 -2.543 1.00 0.00 O ATOM 22 CB GLN A 2 -3.458 -11.149 -5.905 1.00 0.00 C ATOM 23 CG GLN A 2 -4.240 -11.219 -7.226 1.00 0.00 C ATOM 24 CD GLN A 2 -5.332 -12.295 -7.254 1.00 0.00 C ATOM 25 OE1 GLN A 2 -5.086 -13.435 -7.648 1.00 0.00 O ATOM 26 NE2 GLN A 2 -6.541 -11.939 -6.852 1.00 0.00 N ATOM 0 H GLN A 2 -4.800 -8.999 -5.801 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.871 -11.522 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.615 -10.470 -6.035 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.043 -12.135 -5.694 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.697 -10.248 -7.416 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.540 -11.407 -8.040 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.712 -10.986 -6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.302 -12.618 -6.863 1.00 0.00 H new ATOM 35 N HIS A 3 -2.805 -8.970 -3.881 1.00 0.00 N ATOM 36 CA HIS A 3 -1.644 -8.414 -3.205 1.00 0.00 C ATOM 37 C HIS A 3 -1.966 -7.799 -1.837 1.00 0.00 C ATOM 38 O HIS A 3 -1.033 -7.477 -1.118 1.00 0.00 O ATOM 39 CB HIS A 3 -0.936 -7.370 -4.091 1.00 0.00 C ATOM 40 CG HIS A 3 -0.307 -7.921 -5.345 1.00 0.00 C ATOM 41 ND1 HIS A 3 0.718 -8.838 -5.326 1.00 0.00 N ATOM 42 CD2 HIS A 3 -0.540 -7.658 -6.648 1.00 0.00 C ATOM 43 CE1 HIS A 3 1.075 -9.119 -6.561 1.00 0.00 C ATOM 44 NE2 HIS A 3 0.327 -8.415 -7.383 1.00 0.00 N ATOM 0 H HIS A 3 -3.184 -8.357 -4.603 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.978 -9.258 -3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.658 -6.604 -4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.163 -6.879 -3.500 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.278 -6.973 -7.039 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.852 -9.811 -6.851 1.00 0.00 H new ATOM 0 HE2 HIS A 3 0.385 -8.432 -8.401 1.00 0.00 H new ATOM 53 N LEU A 4 -3.272 -7.642 -1.483 1.00 0.00 N ATOM 54 CA LEU A 4 -3.692 -7.065 -0.167 1.00 0.00 C ATOM 55 C LEU A 4 -3.033 -7.793 1.033 1.00 0.00 C ATOM 56 O LEU A 4 -2.776 -7.174 2.066 1.00 0.00 O ATOM 57 CB LEU A 4 -5.248 -7.071 0.014 1.00 0.00 C ATOM 58 CG LEU A 4 -5.926 -8.426 0.436 1.00 0.00 C ATOM 59 CD1 LEU A 4 -7.403 -8.221 0.820 1.00 0.00 C ATOM 60 CD2 LEU A 4 -5.786 -9.510 -0.654 1.00 0.00 C ATOM 0 H LEU A 4 -4.052 -7.905 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.346 -6.032 -0.180 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.502 -6.321 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.697 -6.749 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.394 -8.782 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.841 -9.177 1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.468 -7.527 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.947 -7.813 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.269 -10.428 -0.319 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.260 -9.165 -1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.730 -9.703 -0.841 1.00 0.00 H new ATOM 72 N GLU A 5 -2.752 -9.104 0.844 1.00 0.00 N ATOM 73 CA GLU A 5 -2.117 -9.968 1.859 1.00 0.00 C ATOM 74 C GLU A 5 -0.685 -9.494 2.161 1.00 0.00 C ATOM 75 O GLU A 5 -0.314 -9.274 3.320 1.00 0.00 O ATOM 76 CB GLU A 5 -2.090 -11.438 1.352 1.00 0.00 C ATOM 77 CG GLU A 5 -1.401 -12.456 2.293 1.00 0.00 C ATOM 78 CD GLU A 5 -2.151 -12.673 3.615 1.00 0.00 C ATOM 79 OE1 GLU A 5 -3.165 -13.401 3.610 1.00 0.00 O ATOM 80 OE2 GLU A 5 -1.759 -12.093 4.658 1.00 0.00 O ATOM 0 H GLU A 5 -2.963 -9.593 -0.026 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.700 -9.910 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.116 -11.764 1.182 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.584 -11.462 0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.308 -13.411 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.390 -12.111 2.510 1.00 0.00 H new ATOM 87 N ALA A 6 0.104 -9.323 1.087 1.00 0.00 N ATOM 88 CA ALA A 6 1.509 -8.918 1.187 1.00 0.00 C ATOM 89 C ALA A 6 1.641 -7.464 1.658 1.00 0.00 C ATOM 90 O ALA A 6 2.548 -7.149 2.423 1.00 0.00 O ATOM 91 CB ALA A 6 2.229 -9.136 -0.145 1.00 0.00 C ATOM 0 H ALA A 6 -0.217 -9.462 0.129 1.00 0.00 H new ATOM 0 HA ALA A 6 1.987 -9.547 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.271 -8.829 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.185 -10.191 -0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.746 -8.543 -0.921 1.00 0.00 H new ATOM 97 N VAL A 7 0.703 -6.601 1.225 1.00 0.00 N ATOM 98 CA VAL A 7 0.681 -5.183 1.614 1.00 0.00 C ATOM 99 C VAL A 7 0.451 -5.061 3.140 1.00 0.00 C ATOM 100 O VAL A 7 1.231 -4.403 3.829 1.00 0.00 O ATOM 101 CB VAL A 7 -0.419 -4.360 0.835 1.00 0.00 C ATOM 102 CG1 VAL A 7 -0.463 -2.898 1.327 1.00 0.00 C ATOM 103 CG2 VAL A 7 -0.197 -4.392 -0.696 1.00 0.00 C ATOM 0 H VAL A 7 -0.057 -6.868 0.599 1.00 0.00 H new ATOM 0 HA VAL A 7 1.649 -4.758 1.348 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.376 -4.838 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.228 -2.351 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.699 -2.879 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.507 -2.429 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.978 -3.813 -1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.777 -3.963 -0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.234 -5.423 -1.047 1.00 0.00 H new ATOM 113 N ARG A 8 -0.591 -5.759 3.661 1.00 0.00 N ATOM 114 CA ARG A 8 -0.961 -5.699 5.101 1.00 0.00 C ATOM 115 C ARG A 8 0.123 -6.356 5.960 1.00 0.00 C ATOM 116 O ARG A 8 0.332 -5.955 7.108 1.00 0.00 O ATOM 117 CB ARG A 8 -2.344 -6.355 5.374 1.00 0.00 C ATOM 118 CG ARG A 8 -2.405 -7.883 5.178 1.00 0.00 C ATOM 119 CD ARG A 8 -3.828 -8.437 5.283 1.00 0.00 C ATOM 120 NE ARG A 8 -3.865 -9.903 5.170 1.00 0.00 N ATOM 121 CZ ARG A 8 -4.886 -10.674 5.575 1.00 0.00 C ATOM 122 NH1 ARG A 8 -5.952 -10.143 6.133 1.00 0.00 N ATOM 123 NH2 ARG A 8 -4.840 -11.972 5.433 1.00 0.00 N ATOM 0 H ARG A 8 -1.190 -6.370 3.106 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.040 -4.647 5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -2.639 -6.126 6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.082 -5.893 4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.992 -8.136 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.776 -8.366 5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.263 -8.137 6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.445 -7.998 4.499 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.057 -10.367 4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.010 -9.133 6.263 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.721 -10.741 6.436 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -4.022 -12.410 5.010 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.622 -12.547 5.745 1.00 0.00 H new ATOM 137 N ASN A 9 0.835 -7.339 5.367 1.00 0.00 N ATOM 138 CA ASN A 9 1.970 -8.017 6.002 1.00 0.00 C ATOM 139 C ASN A 9 3.093 -6.998 6.296 1.00 0.00 C ATOM 140 O ASN A 9 3.598 -6.918 7.426 1.00 0.00 O ATOM 141 CB ASN A 9 2.468 -9.160 5.076 1.00 0.00 C ATOM 142 CG ASN A 9 3.722 -9.894 5.563 1.00 0.00 C ATOM 143 OD1 ASN A 9 3.950 -10.061 6.760 1.00 0.00 O ATOM 144 ND2 ASN A 9 4.540 -10.335 4.623 1.00 0.00 N ATOM 0 H ASN A 9 0.631 -7.681 4.428 1.00 0.00 H new ATOM 0 HA ASN A 9 1.660 -8.454 6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.664 -9.887 4.958 1.00 0.00 H new ATOM 0 HB3 ASN A 9 2.670 -8.744 4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.393 -10.832 4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 9 4.319 -10.178 3.640 1.00 0.00 H new ATOM 151 N ILE A 10 3.422 -6.198 5.264 1.00 0.00 N ATOM 152 CA ILE A 10 4.424 -5.118 5.339 1.00 0.00 C ATOM 153 C ILE A 10 4.040 -4.084 6.409 1.00 0.00 C ATOM 154 O ILE A 10 4.818 -3.799 7.314 1.00 0.00 O ATOM 155 CB ILE A 10 4.543 -4.371 3.959 1.00 0.00 C ATOM 156 CG1 ILE A 10 5.013 -5.331 2.839 1.00 0.00 C ATOM 157 CG2 ILE A 10 5.469 -3.142 4.050 1.00 0.00 C ATOM 158 CD1 ILE A 10 5.007 -4.722 1.453 1.00 0.00 C ATOM 0 H ILE A 10 2.993 -6.285 4.342 1.00 0.00 H new ATOM 0 HA ILE A 10 5.376 -5.581 5.597 1.00 0.00 H new ATOM 0 HB ILE A 10 3.546 -4.013 3.703 1.00 0.00 H new ATOM 0 HG12 ILE A 10 6.022 -5.672 3.069 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.371 -6.212 2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.524 -2.655 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.072 -2.441 4.785 1.00 0.00 H new ATOM 0 HG23 ILE A 10 6.467 -3.460 4.353 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.350 -5.461 0.729 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.995 -4.407 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.672 -3.859 1.432 1.00 0.00 H new ATOM 170 N LEU A 11 2.817 -3.544 6.270 1.00 0.00 N ATOM 171 CA LEU A 11 2.297 -2.458 7.117 1.00 0.00 C ATOM 172 C LEU A 11 2.295 -2.863 8.594 1.00 0.00 C ATOM 173 O LEU A 11 2.745 -2.113 9.447 1.00 0.00 O ATOM 174 CB LEU A 11 0.868 -2.082 6.662 1.00 0.00 C ATOM 175 CG LEU A 11 0.743 -1.590 5.185 1.00 0.00 C ATOM 176 CD1 LEU A 11 -0.728 -1.558 4.745 1.00 0.00 C ATOM 177 CD2 LEU A 11 1.432 -0.224 4.968 1.00 0.00 C ATOM 0 H LEU A 11 2.155 -3.853 5.558 1.00 0.00 H new ATOM 0 HA LEU A 11 2.950 -1.592 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.223 -2.951 6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.489 -1.301 7.321 1.00 0.00 H new ATOM 0 HG LEU A 11 1.268 -2.307 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.792 -1.212 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.152 -2.560 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.286 -0.879 5.390 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.320 0.079 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.971 0.523 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.492 -0.309 5.209 1.00 0.00 H new ATOM 189 N GLY A 12 1.828 -4.079 8.871 1.00 0.00 N ATOM 190 CA GLY A 12 1.782 -4.583 10.227 1.00 0.00 C ATOM 191 C GLY A 12 3.142 -4.979 10.773 1.00 0.00 C ATOM 192 O GLY A 12 3.301 -5.108 11.988 1.00 0.00 O ATOM 0 H GLY A 12 1.477 -4.729 8.167 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.347 -3.822 10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 12 1.119 -5.448 10.262 1.00 0.00 H new ATOM 196 N ASP A 13 4.116 -5.208 9.876 1.00 0.00 N ATOM 197 CA ASP A 13 5.517 -5.454 10.268 1.00 0.00 C ATOM 198 C ASP A 13 6.194 -4.126 10.684 1.00 0.00 C ATOM 199 O ASP A 13 6.979 -4.094 11.638 1.00 0.00 O ATOM 200 CB ASP A 13 6.282 -6.130 9.091 1.00 0.00 C ATOM 201 CG ASP A 13 7.700 -6.602 9.465 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.653 -5.802 9.357 1.00 0.00 O ATOM 203 OD2 ASP A 13 7.868 -7.771 9.878 1.00 0.00 O ATOM 0 H ASP A 13 3.959 -5.228 8.868 1.00 0.00 H new ATOM 0 HA ASP A 13 5.541 -6.127 11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.705 -6.985 8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.350 -5.426 8.261 1.00 0.00 H new ATOM 208 N VAL A 14 5.866 -3.031 9.959 1.00 0.00 N ATOM 209 CA VAL A 14 6.442 -1.685 10.201 1.00 0.00 C ATOM 210 C VAL A 14 5.815 -1.051 11.460 1.00 0.00 C ATOM 211 O VAL A 14 6.523 -0.707 12.411 1.00 0.00 O ATOM 212 CB VAL A 14 6.232 -0.731 8.952 1.00 0.00 C ATOM 213 CG1 VAL A 14 6.780 0.696 9.215 1.00 0.00 C ATOM 214 CG2 VAL A 14 6.868 -1.333 7.676 1.00 0.00 C ATOM 0 H VAL A 14 5.196 -3.054 9.191 1.00 0.00 H new ATOM 0 HA VAL A 14 7.514 -1.807 10.357 1.00 0.00 H new ATOM 0 HB VAL A 14 5.157 -0.646 8.793 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.616 1.317 8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.262 1.133 10.069 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.848 0.642 9.427 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.708 -0.657 6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.938 -1.470 7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.407 -2.296 7.459 1.00 0.00 H new ATOM 224 N LEU A 15 4.470 -0.942 11.459 1.00 0.00 N ATOM 225 CA LEU A 15 3.700 -0.292 12.548 1.00 0.00 C ATOM 226 C LEU A 15 3.472 -1.247 13.750 1.00 0.00 C ATOM 227 O LEU A 15 2.775 -0.875 14.703 1.00 0.00 O ATOM 228 CB LEU A 15 2.333 0.268 12.031 1.00 0.00 C ATOM 229 CG LEU A 15 2.348 1.424 10.956 1.00 0.00 C ATOM 230 CD1 LEU A 15 3.540 2.381 11.142 1.00 0.00 C ATOM 231 CD2 LEU A 15 2.266 0.894 9.512 1.00 0.00 C ATOM 0 H LEU A 15 3.884 -1.301 10.705 1.00 0.00 H new ATOM 0 HA LEU A 15 4.304 0.546 12.897 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.771 -0.566 11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.774 0.627 12.895 1.00 0.00 H new ATOM 0 HG LEU A 15 1.441 2.004 11.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.505 3.158 10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.488 2.840 12.129 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.472 1.823 11.050 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.280 1.732 8.815 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.118 0.244 9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.342 0.331 9.383 1.00 0.00 H new ATOM 243 N ASN A 16 4.027 -2.483 13.665 1.00 0.00 N ATOM 244 CA ASN A 16 4.129 -3.440 14.801 1.00 0.00 C ATOM 245 C ASN A 16 2.735 -3.999 15.217 1.00 0.00 C ATOM 246 O ASN A 16 2.480 -4.289 16.393 1.00 0.00 O ATOM 247 CB ASN A 16 4.904 -2.783 16.001 1.00 0.00 C ATOM 248 CG ASN A 16 5.508 -3.791 16.996 1.00 0.00 C ATOM 249 OD1 ASN A 16 4.870 -4.190 17.972 1.00 0.00 O ATOM 250 ND2 ASN A 16 6.747 -4.205 16.754 1.00 0.00 N ATOM 0 H ASN A 16 4.421 -2.848 12.798 1.00 0.00 H new ATOM 0 HA ASN A 16 4.707 -4.304 14.472 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.705 -2.160 15.603 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.224 -2.123 16.539 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.195 -4.871 17.384 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.251 -3.857 15.938 1.00 0.00 H new ATOM 257 N LEU A 17 1.849 -4.181 14.214 1.00 0.00 N ATOM 258 CA LEU A 17 0.486 -4.757 14.403 1.00 0.00 C ATOM 259 C LEU A 17 0.558 -6.251 14.790 1.00 0.00 C ATOM 260 O LEU A 17 -0.297 -6.732 15.543 1.00 0.00 O ATOM 261 CB LEU A 17 -0.387 -4.580 13.111 1.00 0.00 C ATOM 262 CG LEU A 17 -1.060 -3.180 12.876 1.00 0.00 C ATOM 263 CD1 LEU A 17 -0.093 -2.011 13.097 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.700 -3.100 11.462 1.00 0.00 C ATOM 0 H LEU A 17 2.053 -3.934 13.245 1.00 0.00 H new ATOM 0 HA LEU A 17 0.014 -4.211 15.220 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.241 -4.800 12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.175 -5.333 13.132 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.847 -3.086 13.625 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.614 -1.070 12.920 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.277 -2.034 14.122 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.746 -2.097 12.406 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.159 -2.121 11.325 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.930 -3.249 10.705 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.461 -3.874 11.363 1.00 0.00 H new ATOM 276 N GLY A 18 1.570 -6.970 14.256 1.00 0.00 N ATOM 277 CA GLY A 18 1.752 -8.400 14.531 1.00 0.00 C ATOM 278 C GLY A 18 0.694 -9.280 13.860 1.00 0.00 C ATOM 279 O GLY A 18 0.834 -9.642 12.691 1.00 0.00 O ATOM 0 H GLY A 18 2.272 -6.575 13.630 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.741 -8.707 14.190 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.722 -8.563 15.608 1.00 0.00 H new ATOM 283 N GLU A 19 -0.370 -9.614 14.609 1.00 0.00 N ATOM 284 CA GLU A 19 -1.486 -10.464 14.131 1.00 0.00 C ATOM 285 C GLU A 19 -2.657 -9.588 13.636 1.00 0.00 C ATOM 286 O GLU A 19 -3.450 -10.015 12.786 1.00 0.00 O ATOM 287 CB GLU A 19 -1.960 -11.401 15.282 1.00 0.00 C ATOM 288 CG GLU A 19 -3.056 -12.418 14.890 1.00 0.00 C ATOM 289 CD GLU A 19 -3.637 -13.182 16.093 1.00 0.00 C ATOM 290 OE1 GLU A 19 -4.563 -12.655 16.749 1.00 0.00 O ATOM 291 OE2 GLU A 19 -3.173 -14.304 16.395 1.00 0.00 O ATOM 0 H GLU A 19 -0.486 -9.301 15.573 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.137 -11.072 13.296 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.098 -11.948 15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.333 -10.785 16.100 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.863 -11.893 14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.641 -13.134 14.180 1.00 0.00 H new ATOM 298 N ARG A 20 -2.729 -8.343 14.163 1.00 0.00 N ATOM 299 CA ARG A 20 -3.828 -7.396 13.870 1.00 0.00 C ATOM 300 C ARG A 20 -3.884 -7.044 12.366 1.00 0.00 C ATOM 301 O ARG A 20 -4.960 -6.774 11.817 1.00 0.00 O ATOM 302 CB ARG A 20 -3.691 -6.132 14.775 1.00 0.00 C ATOM 303 CG ARG A 20 -4.830 -5.066 14.664 1.00 0.00 C ATOM 304 CD ARG A 20 -4.570 -3.980 13.600 1.00 0.00 C ATOM 305 NE ARG A 20 -5.736 -3.096 13.403 1.00 0.00 N ATOM 306 CZ ARG A 20 -5.901 -1.871 13.927 1.00 0.00 C ATOM 307 NH1 ARG A 20 -5.004 -1.341 14.743 1.00 0.00 N ATOM 308 NH2 ARG A 20 -6.973 -1.167 13.615 1.00 0.00 N ATOM 0 H ARG A 20 -2.028 -7.968 14.802 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.780 -7.873 14.104 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.631 -6.460 15.813 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.744 -5.645 14.540 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.766 -5.573 14.430 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.961 -4.586 15.634 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.710 -3.381 13.898 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.314 -4.456 12.653 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.488 -3.450 12.812 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.164 -1.865 14.987 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.153 -0.408 15.128 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.670 -1.554 12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.104 -0.236 14.010 1.00 0.00 H new ATOM 322 N LYS A 21 -2.718 -7.097 11.707 1.00 0.00 N ATOM 323 CA LYS A 21 -2.591 -6.838 10.261 1.00 0.00 C ATOM 324 C LYS A 21 -3.310 -7.909 9.410 1.00 0.00 C ATOM 325 O LYS A 21 -3.716 -7.636 8.292 1.00 0.00 O ATOM 326 CB LYS A 21 -1.111 -6.762 9.864 1.00 0.00 C ATOM 327 CG LYS A 21 -0.351 -8.083 10.025 1.00 0.00 C ATOM 328 CD LYS A 21 1.124 -7.962 9.627 1.00 0.00 C ATOM 329 CE LYS A 21 1.825 -9.304 9.609 1.00 0.00 C ATOM 330 NZ LYS A 21 3.271 -9.171 9.295 1.00 0.00 N ATOM 0 H LYS A 21 -1.832 -7.321 12.161 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.074 -5.881 10.061 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.041 -6.439 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.622 -5.998 10.469 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.419 -8.414 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.827 -8.850 9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.196 -7.504 8.641 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.633 -7.298 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.707 -9.788 10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.351 -9.951 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.499 -9.746 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 3.494 -8.174 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.834 -9.500 10.105 1.00 0.00 H new ATOM 344 N HIS A 22 -3.452 -9.123 9.958 1.00 0.00 N ATOM 345 CA HIS A 22 -4.017 -10.276 9.234 1.00 0.00 C ATOM 346 C HIS A 22 -5.522 -10.448 9.553 1.00 0.00 C ATOM 347 O HIS A 22 -6.255 -11.076 8.780 1.00 0.00 O ATOM 348 CB HIS A 22 -3.208 -11.547 9.592 1.00 0.00 C ATOM 349 CG HIS A 22 -3.474 -12.751 8.716 1.00 0.00 C ATOM 350 ND1 HIS A 22 -2.746 -13.026 7.576 1.00 0.00 N ATOM 351 CD2 HIS A 22 -4.371 -13.755 8.829 1.00 0.00 C ATOM 352 CE1 HIS A 22 -3.178 -14.150 7.046 1.00 0.00 C ATOM 353 NE2 HIS A 22 -4.161 -14.613 7.785 1.00 0.00 N ATOM 0 H HIS A 22 -3.179 -9.337 10.917 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.940 -10.103 8.161 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.146 -11.308 9.540 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.424 -11.816 10.626 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.117 -13.861 9.602 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -2.789 -14.615 6.152 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.682 -15.472 7.609 1.00 0.00 H new ATOM 362 N THR A 23 -5.983 -9.879 10.692 1.00 0.00 N ATOM 363 CA THR A 23 -7.409 -9.953 11.109 1.00 0.00 C ATOM 364 C THR A 23 -8.242 -8.796 10.488 1.00 0.00 C ATOM 365 O THR A 23 -9.430 -8.642 10.789 1.00 0.00 O ATOM 366 CB THR A 23 -7.560 -9.989 12.678 1.00 0.00 C ATOM 367 OG1 THR A 23 -8.904 -10.341 13.046 1.00 0.00 O ATOM 368 CG2 THR A 23 -7.210 -8.650 13.341 1.00 0.00 C ATOM 0 H THR A 23 -5.389 -9.362 11.341 1.00 0.00 H new ATOM 0 HA THR A 23 -7.807 -10.892 10.725 1.00 0.00 H new ATOM 0 HB THR A 23 -6.854 -10.740 13.033 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.535 -9.905 12.436 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.333 -8.736 14.421 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.176 -8.390 13.113 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.872 -7.872 12.961 1.00 0.00 H new ATOM 376 N LEU A 24 -7.608 -7.990 9.615 1.00 0.00 N ATOM 377 CA LEU A 24 -8.300 -6.956 8.809 1.00 0.00 C ATOM 378 C LEU A 24 -8.368 -7.405 7.337 1.00 0.00 C ATOM 379 O LEU A 24 -7.735 -8.386 6.957 1.00 0.00 O ATOM 380 CB LEU A 24 -7.611 -5.561 8.987 1.00 0.00 C ATOM 381 CG LEU A 24 -6.060 -5.448 8.728 1.00 0.00 C ATOM 382 CD1 LEU A 24 -5.711 -5.347 7.230 1.00 0.00 C ATOM 383 CD2 LEU A 24 -5.431 -4.267 9.510 1.00 0.00 C ATOM 0 H LEU A 24 -6.603 -8.034 9.446 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.324 -6.839 9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.110 -4.858 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.802 -5.225 10.006 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.628 -6.377 9.100 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.630 -5.272 7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.071 -6.236 6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.185 -4.462 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.361 -4.223 9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.899 -3.333 9.198 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.590 -4.413 10.579 1.00 0.00 H new ATOM 395 N THR A 25 -9.142 -6.684 6.517 1.00 0.00 N ATOM 396 CA THR A 25 -9.324 -6.990 5.079 1.00 0.00 C ATOM 397 C THR A 25 -9.023 -5.734 4.243 1.00 0.00 C ATOM 398 O THR A 25 -8.528 -4.738 4.781 1.00 0.00 O ATOM 399 CB THR A 25 -10.778 -7.517 4.799 1.00 0.00 C ATOM 400 OG1 THR A 25 -11.737 -6.600 5.339 1.00 0.00 O ATOM 401 CG2 THR A 25 -11.026 -8.918 5.391 1.00 0.00 C ATOM 0 H THR A 25 -9.666 -5.866 6.827 1.00 0.00 H new ATOM 0 HA THR A 25 -8.628 -7.779 4.793 1.00 0.00 H new ATOM 0 HB THR A 25 -10.887 -7.593 3.717 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.642 -6.931 5.161 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.046 -9.232 5.168 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.324 -9.627 4.953 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.884 -8.887 6.471 1.00 0.00 H new ATOM 409 N ALA A 26 -9.313 -5.786 2.923 1.00 0.00 N ATOM 410 CA ALA A 26 -9.068 -4.655 2.001 1.00 0.00 C ATOM 411 C ALA A 26 -9.864 -3.395 2.406 1.00 0.00 C ATOM 412 O ALA A 26 -9.388 -2.281 2.216 1.00 0.00 O ATOM 413 CB ALA A 26 -9.389 -5.058 0.553 1.00 0.00 C ATOM 0 H ALA A 26 -9.720 -6.605 2.471 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.009 -4.404 2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.203 -4.213 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.756 -5.896 0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.436 -5.352 0.481 1.00 0.00 H new ATOM 419 N SER A 27 -11.059 -3.585 3.006 1.00 0.00 N ATOM 420 CA SER A 27 -11.940 -2.469 3.442 1.00 0.00 C ATOM 421 C SER A 27 -11.415 -1.737 4.704 1.00 0.00 C ATOM 422 O SER A 27 -12.004 -0.733 5.127 1.00 0.00 O ATOM 423 CB SER A 27 -13.374 -2.990 3.679 1.00 0.00 C ATOM 424 OG SER A 27 -13.926 -3.516 2.484 1.00 0.00 O ATOM 0 H SER A 27 -11.443 -4.509 3.203 1.00 0.00 H new ATOM 0 HA SER A 27 -11.943 -1.734 2.637 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.362 -3.761 4.449 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.003 -2.180 4.049 1.00 0.00 H new ATOM 0 HG SER A 27 -14.834 -3.842 2.659 1.00 0.00 H new ATOM 430 N SER A 28 -10.318 -2.246 5.298 1.00 0.00 N ATOM 431 CA SER A 28 -9.683 -1.629 6.474 1.00 0.00 C ATOM 432 C SER A 28 -8.971 -0.327 6.089 1.00 0.00 C ATOM 433 O SER A 28 -8.180 -0.306 5.146 1.00 0.00 O ATOM 434 CB SER A 28 -8.664 -2.596 7.114 1.00 0.00 C ATOM 435 OG SER A 28 -7.985 -2.011 8.218 1.00 0.00 O ATOM 0 H SER A 28 -9.850 -3.093 4.976 1.00 0.00 H new ATOM 0 HA SER A 28 -10.470 -1.406 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.180 -3.498 7.444 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.936 -2.902 6.363 1.00 0.00 H new ATOM 0 HG SER A 28 -8.025 -2.618 8.986 1.00 0.00 H new ATOM 441 N VAL A 29 -9.259 0.734 6.844 1.00 0.00 N ATOM 442 CA VAL A 29 -8.557 2.018 6.770 1.00 0.00 C ATOM 443 C VAL A 29 -7.160 1.859 7.420 1.00 0.00 C ATOM 444 O VAL A 29 -6.953 0.959 8.245 1.00 0.00 O ATOM 445 CB VAL A 29 -9.410 3.143 7.491 1.00 0.00 C ATOM 446 CG1 VAL A 29 -8.750 4.543 7.417 1.00 0.00 C ATOM 447 CG2 VAL A 29 -10.845 3.189 6.922 1.00 0.00 C ATOM 0 H VAL A 29 -10.004 0.725 7.541 1.00 0.00 H new ATOM 0 HA VAL A 29 -8.427 2.321 5.731 1.00 0.00 H new ATOM 0 HB VAL A 29 -9.452 2.872 8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.381 5.270 7.928 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.772 4.510 7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.632 4.835 6.373 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -11.413 3.968 7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.806 3.406 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.330 2.225 7.079 1.00 0.00 H new ATOM 457 N LEU A 30 -6.203 2.708 7.022 1.00 0.00 N ATOM 458 CA LEU A 30 -4.832 2.717 7.572 1.00 0.00 C ATOM 459 C LEU A 30 -4.525 4.124 8.093 1.00 0.00 C ATOM 460 O LEU A 30 -4.360 4.340 9.296 1.00 0.00 O ATOM 461 CB LEU A 30 -3.805 2.325 6.481 1.00 0.00 C ATOM 462 CG LEU A 30 -4.134 1.053 5.654 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.128 0.905 4.512 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.201 -0.224 6.531 1.00 0.00 C ATOM 0 H LEU A 30 -6.355 3.416 6.303 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.761 1.991 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.700 3.163 5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.836 2.182 6.959 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.131 1.175 5.230 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.362 0.011 3.934 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.181 1.780 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.122 0.818 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.434 -1.084 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.239 -0.381 7.019 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.977 -0.106 7.287 1.00 0.00 H new ATOM 476 N LEU A 31 -4.441 5.073 7.141 1.00 0.00 N ATOM 477 CA LEU A 31 -4.306 6.504 7.425 1.00 0.00 C ATOM 478 C LEU A 31 -5.595 6.971 8.133 1.00 0.00 C ATOM 479 O LEU A 31 -6.664 6.990 7.524 1.00 0.00 O ATOM 480 CB LEU A 31 -4.057 7.251 6.070 1.00 0.00 C ATOM 481 CG LEU A 31 -3.412 8.673 6.113 1.00 0.00 C ATOM 482 CD1 LEU A 31 -2.946 9.110 4.713 1.00 0.00 C ATOM 483 CD2 LEU A 31 -4.358 9.736 6.725 1.00 0.00 C ATOM 0 H LEU A 31 -4.466 4.859 6.144 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.464 6.720 8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.421 6.616 5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.015 7.336 5.557 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.543 8.601 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.501 10.103 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.206 8.402 4.338 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.800 9.134 4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.860 10.706 6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.268 9.799 6.129 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.612 9.452 7.746 1.00 0.00 H new ATOM 495 N GLY A 32 -5.474 7.307 9.425 1.00 0.00 N ATOM 496 CA GLY A 32 -6.617 7.687 10.261 1.00 0.00 C ATOM 497 C GLY A 32 -7.028 6.583 11.238 1.00 0.00 C ATOM 498 O GLY A 32 -7.512 6.872 12.338 1.00 0.00 O ATOM 0 H GLY A 32 -4.581 7.322 9.918 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.368 8.588 10.821 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.464 7.934 9.621 1.00 0.00 H new ATOM 502 N ASN A 33 -6.844 5.314 10.828 1.00 0.00 N ATOM 503 CA ASN A 33 -7.182 4.124 11.649 1.00 0.00 C ATOM 504 C ASN A 33 -6.033 3.791 12.607 1.00 0.00 C ATOM 505 O ASN A 33 -6.188 3.875 13.834 1.00 0.00 O ATOM 506 CB ASN A 33 -7.463 2.911 10.724 1.00 0.00 C ATOM 507 CG ASN A 33 -7.893 1.602 11.417 1.00 0.00 C ATOM 508 OD1 ASN A 33 -7.629 1.358 12.594 1.00 0.00 O ATOM 509 ND2 ASN A 33 -8.520 0.718 10.662 1.00 0.00 N ATOM 0 H ASN A 33 -6.455 5.079 9.915 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.073 4.345 12.236 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.243 3.195 10.017 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.563 2.710 10.143 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.793 -0.184 11.053 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.731 0.937 9.688 1.00 0.00 H new ATOM 516 N ILE A 34 -4.888 3.401 12.024 1.00 0.00 N ATOM 517 CA ILE A 34 -3.738 2.880 12.767 1.00 0.00 C ATOM 518 C ILE A 34 -3.061 4.029 13.541 1.00 0.00 C ATOM 519 O ILE A 34 -2.541 4.952 12.909 1.00 0.00 O ATOM 520 CB ILE A 34 -2.684 2.190 11.810 1.00 0.00 C ATOM 521 CG1 ILE A 34 -3.378 1.184 10.821 1.00 0.00 C ATOM 522 CG2 ILE A 34 -1.566 1.493 12.630 1.00 0.00 C ATOM 523 CD1 ILE A 34 -4.119 0.025 11.473 1.00 0.00 C ATOM 0 H ILE A 34 -4.737 3.440 11.016 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.103 2.123 13.462 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.221 2.971 11.207 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.082 1.739 10.201 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.619 0.777 10.154 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.854 1.026 11.950 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.051 2.232 13.244 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.007 0.731 13.273 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.559 -0.606 10.701 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.421 -0.564 12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.908 0.414 12.117 1.00 0.00 H new ATOM 535 N PRO A 35 -3.007 3.976 14.912 1.00 0.00 N ATOM 536 CA PRO A 35 -2.455 5.084 15.734 1.00 0.00 C ATOM 537 C PRO A 35 -0.920 5.177 15.641 1.00 0.00 C ATOM 538 O PRO A 35 -0.304 6.094 16.201 1.00 0.00 O ATOM 539 CB PRO A 35 -2.934 4.722 17.161 1.00 0.00 C ATOM 540 CG PRO A 35 -3.003 3.226 17.162 1.00 0.00 C ATOM 541 CD PRO A 35 -3.437 2.829 15.763 1.00 0.00 C ATOM 0 HA PRO A 35 -2.792 6.067 15.404 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.240 5.088 17.918 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.906 5.165 17.378 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -2.035 2.790 17.409 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.713 2.868 17.908 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.964 1.899 15.447 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.514 2.674 15.708 1.00 0.00 H new ATOM 549 N GLU A 36 -0.318 4.213 14.920 1.00 0.00 N ATOM 550 CA GLU A 36 1.130 4.104 14.734 1.00 0.00 C ATOM 551 C GLU A 36 1.558 4.685 13.374 1.00 0.00 C ATOM 552 O GLU A 36 2.758 4.859 13.127 1.00 0.00 O ATOM 553 CB GLU A 36 1.533 2.611 14.841 1.00 0.00 C ATOM 554 CG GLU A 36 0.974 1.880 16.084 1.00 0.00 C ATOM 555 CD GLU A 36 1.339 2.560 17.418 1.00 0.00 C ATOM 556 OE1 GLU A 36 2.548 2.701 17.710 1.00 0.00 O ATOM 557 OE2 GLU A 36 0.424 2.959 18.174 1.00 0.00 O ATOM 0 H GLU A 36 -0.840 3.477 14.444 1.00 0.00 H new ATOM 0 HA GLU A 36 1.638 4.680 15.508 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.191 2.091 13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.621 2.542 14.854 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.111 1.820 16.002 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.350 0.857 16.093 1.00 0.00 H new ATOM 564 N LEU A 37 0.562 4.989 12.503 1.00 0.00 N ATOM 565 CA LEU A 37 0.802 5.518 11.145 1.00 0.00 C ATOM 566 C LEU A 37 1.132 7.020 11.270 1.00 0.00 C ATOM 567 O LEU A 37 0.255 7.889 11.182 1.00 0.00 O ATOM 568 CB LEU A 37 -0.439 5.211 10.221 1.00 0.00 C ATOM 569 CG LEU A 37 -0.261 5.306 8.654 1.00 0.00 C ATOM 570 CD1 LEU A 37 -0.251 6.762 8.137 1.00 0.00 C ATOM 571 CD2 LEU A 37 0.994 4.531 8.184 1.00 0.00 C ATOM 0 H LEU A 37 -0.426 4.873 12.726 1.00 0.00 H new ATOM 0 HA LEU A 37 1.652 5.032 10.666 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.783 4.203 10.454 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.239 5.895 10.505 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.138 4.831 8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.126 6.763 7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.193 7.246 8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.573 7.306 8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.089 4.615 7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.880 4.951 8.660 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.897 3.481 8.459 1.00 0.00 H new ATOM 583 N ASP A 38 2.410 7.279 11.567 1.00 0.00 N ATOM 584 CA ASP A 38 2.989 8.618 11.766 1.00 0.00 C ATOM 585 C ASP A 38 3.558 9.166 10.431 1.00 0.00 C ATOM 586 O ASP A 38 3.640 8.435 9.453 1.00 0.00 O ATOM 587 CB ASP A 38 4.117 8.479 12.845 1.00 0.00 C ATOM 588 CG ASP A 38 4.924 9.764 13.095 1.00 0.00 C ATOM 589 OD1 ASP A 38 4.399 10.684 13.753 1.00 0.00 O ATOM 590 OD2 ASP A 38 6.074 9.873 12.611 1.00 0.00 O ATOM 0 H ASP A 38 3.098 6.535 11.680 1.00 0.00 H new ATOM 0 HA ASP A 38 2.230 9.324 12.102 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.666 8.160 13.785 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.802 7.689 12.536 1.00 0.00 H new ATOM 595 N SER A 39 3.917 10.463 10.435 1.00 0.00 N ATOM 596 CA SER A 39 4.653 11.177 9.366 1.00 0.00 C ATOM 597 C SER A 39 5.857 10.357 8.817 1.00 0.00 C ATOM 598 O SER A 39 5.855 9.899 7.661 1.00 0.00 O ATOM 599 CB SER A 39 5.132 12.524 9.977 1.00 0.00 C ATOM 600 OG SER A 39 5.882 13.309 9.062 1.00 0.00 O ATOM 0 H SER A 39 3.693 11.074 11.220 1.00 0.00 H new ATOM 0 HA SER A 39 3.997 11.337 8.511 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.265 13.094 10.312 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.740 12.322 10.858 1.00 0.00 H new ATOM 0 HG SER A 39 6.156 14.144 9.496 1.00 0.00 H new ATOM 605 N MET A 40 6.866 10.128 9.667 1.00 0.00 N ATOM 606 CA MET A 40 8.061 9.358 9.263 1.00 0.00 C ATOM 607 C MET A 40 7.722 7.879 9.016 1.00 0.00 C ATOM 608 O MET A 40 8.441 7.183 8.295 1.00 0.00 O ATOM 609 CB MET A 40 9.204 9.499 10.293 1.00 0.00 C ATOM 610 CG MET A 40 9.842 10.895 10.326 1.00 0.00 C ATOM 611 SD MET A 40 10.436 11.440 8.702 1.00 0.00 S ATOM 612 CE MET A 40 11.541 10.108 8.218 1.00 0.00 C ATOM 0 H MET A 40 6.884 10.459 10.632 1.00 0.00 H new ATOM 0 HA MET A 40 8.411 9.781 8.321 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.818 9.263 11.285 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.976 8.763 10.068 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.112 11.613 10.700 1.00 0.00 H new ATOM 0 HG3 MET A 40 10.675 10.891 11.029 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.101 10.404 7.331 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.235 9.898 9.031 1.00 0.00 H new ATOM 0 HE3 MET A 40 10.958 9.214 7.998 1.00 0.00 H new ATOM 622 N ALA A 41 6.610 7.417 9.604 1.00 0.00 N ATOM 623 CA ALA A 41 6.097 6.064 9.362 1.00 0.00 C ATOM 624 C ALA A 41 5.433 5.936 7.977 1.00 0.00 C ATOM 625 O ALA A 41 5.357 4.820 7.469 1.00 0.00 O ATOM 626 CB ALA A 41 5.137 5.644 10.471 1.00 0.00 C ATOM 0 H ALA A 41 6.047 7.965 10.254 1.00 0.00 H new ATOM 0 HA ALA A 41 6.951 5.386 9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.769 4.638 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.659 5.656 11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.297 6.337 10.507 1.00 0.00 H new ATOM 632 N VAL A 42 4.941 7.062 7.366 1.00 0.00 N ATOM 633 CA VAL A 42 4.464 7.033 5.954 1.00 0.00 C ATOM 634 C VAL A 42 5.671 6.804 5.036 1.00 0.00 C ATOM 635 O VAL A 42 5.596 6.038 4.085 1.00 0.00 O ATOM 636 CB VAL A 42 3.647 8.314 5.457 1.00 0.00 C ATOM 637 CG1 VAL A 42 2.608 8.783 6.497 1.00 0.00 C ATOM 638 CG2 VAL A 42 4.551 9.497 4.977 1.00 0.00 C ATOM 0 H VAL A 42 4.868 7.973 7.819 1.00 0.00 H new ATOM 0 HA VAL A 42 3.741 6.218 5.908 1.00 0.00 H new ATOM 0 HB VAL A 42 3.105 7.977 4.573 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.078 9.655 6.114 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.895 7.980 6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.115 9.045 7.426 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.923 10.328 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.191 9.822 5.797 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.170 9.167 4.143 1.00 0.00 H new ATOM 648 N VAL A 43 6.797 7.455 5.386 1.00 0.00 N ATOM 649 CA VAL A 43 8.059 7.327 4.622 1.00 0.00 C ATOM 650 C VAL A 43 8.567 5.877 4.677 1.00 0.00 C ATOM 651 O VAL A 43 8.950 5.294 3.658 1.00 0.00 O ATOM 652 CB VAL A 43 9.153 8.301 5.179 1.00 0.00 C ATOM 653 CG1 VAL A 43 10.415 8.356 4.274 1.00 0.00 C ATOM 654 CG2 VAL A 43 8.546 9.698 5.398 1.00 0.00 C ATOM 0 H VAL A 43 6.861 8.076 6.193 1.00 0.00 H new ATOM 0 HA VAL A 43 7.857 7.596 3.585 1.00 0.00 H new ATOM 0 HB VAL A 43 9.492 7.913 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.142 9.045 4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.855 7.361 4.203 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.134 8.700 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.311 10.371 5.785 1.00 0.00 H new ATOM 0 HG22 VAL A 43 8.170 10.084 4.451 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.726 9.631 6.114 1.00 0.00 H new ATOM 664 N ASN A 44 8.510 5.320 5.890 1.00 0.00 N ATOM 665 CA ASN A 44 8.932 3.947 6.192 1.00 0.00 C ATOM 666 C ASN A 44 8.111 2.889 5.436 1.00 0.00 C ATOM 667 O ASN A 44 8.686 1.941 4.896 1.00 0.00 O ATOM 668 CB ASN A 44 8.859 3.713 7.730 1.00 0.00 C ATOM 669 CG ASN A 44 10.081 4.240 8.488 1.00 0.00 C ATOM 670 OD1 ASN A 44 10.735 5.193 8.063 1.00 0.00 O ATOM 671 ND2 ASN A 44 10.392 3.628 9.619 1.00 0.00 N ATOM 0 H ASN A 44 8.162 5.821 6.708 1.00 0.00 H new ATOM 0 HA ASN A 44 9.960 3.832 5.848 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.963 4.196 8.121 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.755 2.645 7.922 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.193 3.943 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.830 2.841 9.944 1.00 0.00 H new ATOM 678 N VAL A 45 6.780 3.050 5.394 1.00 0.00 N ATOM 679 CA VAL A 45 5.895 2.064 4.734 1.00 0.00 C ATOM 680 C VAL A 45 5.987 2.157 3.205 1.00 0.00 C ATOM 681 O VAL A 45 5.826 1.145 2.531 1.00 0.00 O ATOM 682 CB VAL A 45 4.398 2.169 5.196 1.00 0.00 C ATOM 683 CG1 VAL A 45 4.251 1.787 6.683 1.00 0.00 C ATOM 684 CG2 VAL A 45 3.813 3.566 4.929 1.00 0.00 C ATOM 0 H VAL A 45 6.291 3.845 5.804 1.00 0.00 H new ATOM 0 HA VAL A 45 6.259 1.086 5.050 1.00 0.00 H new ATOM 0 HB VAL A 45 3.825 1.457 4.601 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.205 1.868 6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.591 0.762 6.831 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.853 2.461 7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.776 3.596 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.391 4.313 5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.857 3.781 3.861 1.00 0.00 H new ATOM 694 N ILE A 46 6.264 3.367 2.666 1.00 0.00 N ATOM 695 CA ILE A 46 6.530 3.544 1.217 1.00 0.00 C ATOM 696 C ILE A 46 7.776 2.731 0.835 1.00 0.00 C ATOM 697 O ILE A 46 7.704 1.846 -0.016 1.00 0.00 O ATOM 698 CB ILE A 46 6.729 5.063 0.825 1.00 0.00 C ATOM 699 CG1 ILE A 46 5.407 5.863 1.023 1.00 0.00 C ATOM 700 CG2 ILE A 46 7.258 5.227 -0.630 1.00 0.00 C ATOM 701 CD1 ILE A 46 5.546 7.366 0.849 1.00 0.00 C ATOM 0 H ILE A 46 6.309 4.230 3.207 1.00 0.00 H new ATOM 0 HA ILE A 46 5.660 3.186 0.666 1.00 0.00 H new ATOM 0 HB ILE A 46 7.487 5.471 1.493 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.665 5.495 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.021 5.660 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.380 6.286 -0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.219 4.723 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.546 4.787 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.578 7.841 1.005 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.261 7.752 1.576 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.900 7.584 -0.159 1.00 0.00 H new ATOM 713 N THR A 47 8.886 3.020 1.551 1.00 0.00 N ATOM 714 CA THR A 47 10.196 2.367 1.365 1.00 0.00 C ATOM 715 C THR A 47 10.086 0.832 1.511 1.00 0.00 C ATOM 716 O THR A 47 10.695 0.077 0.751 1.00 0.00 O ATOM 717 CB THR A 47 11.229 2.928 2.400 1.00 0.00 C ATOM 718 OG1 THR A 47 11.312 4.352 2.259 1.00 0.00 O ATOM 719 CG2 THR A 47 12.635 2.311 2.234 1.00 0.00 C ATOM 0 H THR A 47 8.894 3.727 2.287 1.00 0.00 H new ATOM 0 HA THR A 47 10.539 2.587 0.354 1.00 0.00 H new ATOM 0 HB THR A 47 10.875 2.657 3.395 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.554 4.771 2.718 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.309 2.737 2.977 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.577 1.231 2.372 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.012 2.529 1.235 1.00 0.00 H new ATOM 727 N ALA A 48 9.275 0.403 2.482 1.00 0.00 N ATOM 728 CA ALA A 48 9.011 -1.018 2.759 1.00 0.00 C ATOM 729 C ALA A 48 8.280 -1.705 1.579 1.00 0.00 C ATOM 730 O ALA A 48 8.694 -2.779 1.145 1.00 0.00 O ATOM 731 CB ALA A 48 8.228 -1.150 4.068 1.00 0.00 C ATOM 0 H ALA A 48 8.776 1.037 3.107 1.00 0.00 H new ATOM 0 HA ALA A 48 9.964 -1.535 2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.034 -2.203 4.271 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.811 -0.724 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.281 -0.617 3.981 1.00 0.00 H new ATOM 737 N LEU A 49 7.228 -1.046 1.036 1.00 0.00 N ATOM 738 CA LEU A 49 6.502 -1.520 -0.178 1.00 0.00 C ATOM 739 C LEU A 49 7.498 -1.729 -1.353 1.00 0.00 C ATOM 740 O LEU A 49 7.464 -2.774 -2.029 1.00 0.00 O ATOM 741 CB LEU A 49 5.350 -0.515 -0.579 1.00 0.00 C ATOM 742 CG LEU A 49 3.892 -0.850 -0.098 1.00 0.00 C ATOM 743 CD1 LEU A 49 3.378 -2.141 -0.753 1.00 0.00 C ATOM 744 CD2 LEU A 49 3.782 -0.925 1.438 1.00 0.00 C ATOM 0 H LEU A 49 6.857 -0.177 1.420 1.00 0.00 H new ATOM 0 HA LEU A 49 6.036 -2.478 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.613 0.469 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.336 -0.437 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 49 3.255 -0.026 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.367 -2.349 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.369 -2.021 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.033 -2.970 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.755 -1.159 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.447 -1.703 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.066 0.034 1.870 1.00 0.00 H new ATOM 756 N GLU A 50 8.404 -0.734 -1.523 1.00 0.00 N ATOM 757 CA GLU A 50 9.492 -0.752 -2.528 1.00 0.00 C ATOM 758 C GLU A 50 10.345 -2.025 -2.410 1.00 0.00 C ATOM 759 O GLU A 50 10.597 -2.706 -3.401 1.00 0.00 O ATOM 760 CB GLU A 50 10.434 0.477 -2.356 1.00 0.00 C ATOM 761 CG GLU A 50 9.756 1.854 -2.378 1.00 0.00 C ATOM 762 CD GLU A 50 9.185 2.224 -3.739 1.00 0.00 C ATOM 763 OE1 GLU A 50 9.928 2.814 -4.553 1.00 0.00 O ATOM 764 OE2 GLU A 50 7.999 1.946 -3.995 1.00 0.00 O ATOM 0 H GLU A 50 8.398 0.115 -0.957 1.00 0.00 H new ATOM 0 HA GLU A 50 9.012 -0.721 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.967 0.372 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.182 0.450 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.954 1.868 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.479 2.612 -2.077 1.00 0.00 H new ATOM 771 N GLU A 51 10.787 -2.321 -1.172 1.00 0.00 N ATOM 772 CA GLU A 51 11.703 -3.437 -0.880 1.00 0.00 C ATOM 773 C GLU A 51 11.060 -4.804 -1.182 1.00 0.00 C ATOM 774 O GLU A 51 11.603 -5.585 -1.973 1.00 0.00 O ATOM 775 CB GLU A 51 12.177 -3.374 0.601 1.00 0.00 C ATOM 776 CG GLU A 51 12.975 -2.110 0.974 1.00 0.00 C ATOM 777 CD GLU A 51 14.241 -1.913 0.122 1.00 0.00 C ATOM 778 OE1 GLU A 51 15.293 -2.503 0.453 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.196 -1.165 -0.884 1.00 0.00 O ATOM 0 H GLU A 51 10.517 -1.790 -0.344 1.00 0.00 H new ATOM 0 HA GLU A 51 12.567 -3.332 -1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.304 -3.439 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.793 -4.249 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.332 -1.237 0.863 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.258 -2.165 2.025 1.00 0.00 H new ATOM 786 N TYR A 52 9.894 -5.062 -0.563 1.00 0.00 N ATOM 787 CA TYR A 52 9.194 -6.361 -0.656 1.00 0.00 C ATOM 788 C TYR A 52 8.766 -6.683 -2.102 1.00 0.00 C ATOM 789 O TYR A 52 9.136 -7.731 -2.647 1.00 0.00 O ATOM 790 CB TYR A 52 7.965 -6.389 0.283 1.00 0.00 C ATOM 791 CG TYR A 52 8.282 -6.556 1.783 1.00 0.00 C ATOM 792 CD1 TYR A 52 8.680 -5.477 2.572 1.00 0.00 C ATOM 793 CD2 TYR A 52 8.136 -7.792 2.417 1.00 0.00 C ATOM 794 CE1 TYR A 52 8.920 -5.622 3.921 1.00 0.00 C ATOM 795 CE2 TYR A 52 8.366 -7.938 3.767 1.00 0.00 C ATOM 796 CZ TYR A 52 8.759 -6.854 4.514 1.00 0.00 C ATOM 797 OH TYR A 52 8.973 -6.999 5.868 1.00 0.00 O ATOM 0 H TYR A 52 9.408 -4.377 0.016 1.00 0.00 H new ATOM 0 HA TYR A 52 9.900 -7.129 -0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 52 7.405 -5.464 0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.312 -7.205 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 52 8.803 -4.506 2.115 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.836 -8.652 1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.233 -4.773 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 52 8.238 -8.902 4.237 1.00 0.00 H new ATOM 0 HH TYR A 52 8.815 -7.931 6.126 1.00 0.00 H new ATOM 807 N PHE A 53 7.992 -5.769 -2.725 1.00 0.00 N ATOM 808 CA PHE A 53 7.477 -5.972 -4.102 1.00 0.00 C ATOM 809 C PHE A 53 8.558 -5.663 -5.172 1.00 0.00 C ATOM 810 O PHE A 53 8.328 -5.914 -6.362 1.00 0.00 O ATOM 811 CB PHE A 53 6.210 -5.120 -4.350 1.00 0.00 C ATOM 812 CG PHE A 53 4.943 -5.560 -3.614 1.00 0.00 C ATOM 813 CD1 PHE A 53 4.733 -5.238 -2.277 1.00 0.00 C ATOM 814 CD2 PHE A 53 3.949 -6.282 -4.274 1.00 0.00 C ATOM 815 CE1 PHE A 53 3.571 -5.625 -1.631 1.00 0.00 C ATOM 816 CE2 PHE A 53 2.793 -6.663 -3.628 1.00 0.00 C ATOM 817 CZ PHE A 53 2.603 -6.336 -2.307 1.00 0.00 C ATOM 0 H PHE A 53 7.709 -4.886 -2.301 1.00 0.00 H new ATOM 0 HA PHE A 53 7.211 -7.025 -4.195 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.429 -4.090 -4.068 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.002 -5.120 -5.420 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.484 -4.680 -1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.088 -6.548 -5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.423 -5.368 -0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 53 2.036 -7.219 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.698 -6.635 -1.800 1.00 0.00 H new ATOM 827 N ASP A 54 9.702 -5.075 -4.738 1.00 0.00 N ATOM 828 CA ASP A 54 10.932 -4.907 -5.565 1.00 0.00 C ATOM 829 C ASP A 54 10.689 -3.911 -6.734 1.00 0.00 C ATOM 830 O ASP A 54 11.257 -4.039 -7.822 1.00 0.00 O ATOM 831 CB ASP A 54 11.451 -6.302 -6.058 1.00 0.00 C ATOM 832 CG ASP A 54 12.915 -6.290 -6.549 1.00 0.00 C ATOM 833 OD1 ASP A 54 13.827 -6.252 -5.697 1.00 0.00 O ATOM 834 OD2 ASP A 54 13.160 -6.332 -7.779 1.00 0.00 O ATOM 0 H ASP A 54 9.801 -4.699 -3.795 1.00 0.00 H new ATOM 0 HA ASP A 54 11.717 -4.470 -4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.357 -7.021 -5.244 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.810 -6.651 -6.867 1.00 0.00 H new ATOM 839 N PHE A 55 9.870 -2.878 -6.470 1.00 0.00 N ATOM 840 CA PHE A 55 9.374 -1.942 -7.515 1.00 0.00 C ATOM 841 C PHE A 55 9.452 -0.484 -7.024 1.00 0.00 C ATOM 842 O PHE A 55 9.990 -0.219 -5.948 1.00 0.00 O ATOM 843 CB PHE A 55 7.909 -2.318 -7.910 1.00 0.00 C ATOM 844 CG PHE A 55 6.809 -1.891 -6.916 1.00 0.00 C ATOM 845 CD1 PHE A 55 6.965 -2.051 -5.535 1.00 0.00 C ATOM 846 CD2 PHE A 55 5.619 -1.332 -7.368 1.00 0.00 C ATOM 847 CE1 PHE A 55 5.973 -1.677 -4.660 1.00 0.00 C ATOM 848 CE2 PHE A 55 4.630 -0.960 -6.484 1.00 0.00 C ATOM 849 CZ PHE A 55 4.809 -1.136 -5.133 1.00 0.00 C ATOM 0 H PHE A 55 9.530 -2.662 -5.533 1.00 0.00 H new ATOM 0 HA PHE A 55 10.009 -2.030 -8.397 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.689 -1.870 -8.879 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.855 -3.399 -8.039 1.00 0.00 H new ATOM 0 HD1 PHE A 55 7.880 -2.476 -5.150 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.468 -1.187 -8.428 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.113 -1.810 -3.597 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.711 -0.529 -6.854 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.030 -0.847 -4.444 1.00 0.00 H new ATOM 859 N SER A 56 8.908 0.451 -7.827 1.00 0.00 N ATOM 860 CA SER A 56 8.758 1.858 -7.441 1.00 0.00 C ATOM 861 C SER A 56 7.314 2.353 -7.670 1.00 0.00 C ATOM 862 O SER A 56 6.847 2.413 -8.817 1.00 0.00 O ATOM 863 CB SER A 56 9.772 2.727 -8.221 1.00 0.00 C ATOM 864 OG SER A 56 11.103 2.316 -7.948 1.00 0.00 O ATOM 0 H SER A 56 8.561 0.246 -8.764 1.00 0.00 H new ATOM 0 HA SER A 56 8.965 1.947 -6.375 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.575 2.652 -9.290 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.647 3.775 -7.947 1.00 0.00 H new ATOM 0 HG SER A 56 11.729 2.877 -8.452 1.00 0.00 H new ATOM 870 N VAL A 57 6.603 2.670 -6.563 1.00 0.00 N ATOM 871 CA VAL A 57 5.352 3.449 -6.608 1.00 0.00 C ATOM 872 C VAL A 57 5.753 4.893 -6.976 1.00 0.00 C ATOM 873 O VAL A 57 6.522 5.516 -6.234 1.00 0.00 O ATOM 874 CB VAL A 57 4.576 3.467 -5.217 1.00 0.00 C ATOM 875 CG1 VAL A 57 3.121 3.958 -5.386 1.00 0.00 C ATOM 876 CG2 VAL A 57 4.607 2.110 -4.497 1.00 0.00 C ATOM 0 H VAL A 57 6.881 2.393 -5.621 1.00 0.00 H new ATOM 0 HA VAL A 57 4.676 2.993 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 57 5.110 4.176 -4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.622 3.957 -4.417 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.123 4.969 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.590 3.294 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.062 2.185 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.140 1.353 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.641 1.828 -4.296 1.00 0.00 H new ATOM 886 N ASP A 58 5.274 5.412 -8.115 1.00 0.00 N ATOM 887 CA ASP A 58 5.702 6.738 -8.613 1.00 0.00 C ATOM 888 C ASP A 58 5.090 7.856 -7.734 1.00 0.00 C ATOM 889 O ASP A 58 3.994 7.702 -7.226 1.00 0.00 O ATOM 890 CB ASP A 58 5.314 6.894 -10.102 1.00 0.00 C ATOM 891 CG ASP A 58 5.915 8.154 -10.739 1.00 0.00 C ATOM 892 OD1 ASP A 58 7.087 8.107 -11.172 1.00 0.00 O ATOM 893 OD2 ASP A 58 5.241 9.204 -10.779 1.00 0.00 O ATOM 0 H ASP A 58 4.593 4.941 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 58 6.787 6.823 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.649 6.016 -10.655 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.228 6.930 -10.189 1.00 0.00 H new ATOM 898 N ASP A 59 5.810 8.965 -7.530 1.00 0.00 N ATOM 899 CA ASP A 59 5.359 10.051 -6.625 1.00 0.00 C ATOM 900 C ASP A 59 4.073 10.757 -7.139 1.00 0.00 C ATOM 901 O ASP A 59 3.279 11.266 -6.337 1.00 0.00 O ATOM 902 CB ASP A 59 6.502 11.066 -6.407 1.00 0.00 C ATOM 903 CG ASP A 59 6.152 12.183 -5.405 1.00 0.00 C ATOM 904 OD1 ASP A 59 5.951 11.877 -4.211 1.00 0.00 O ATOM 905 OD2 ASP A 59 6.061 13.362 -5.809 1.00 0.00 O ATOM 0 H ASP A 59 6.710 9.143 -7.976 1.00 0.00 H new ATOM 0 HA ASP A 59 5.100 9.597 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.385 10.535 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.764 11.517 -7.364 1.00 0.00 H new ATOM 910 N ASP A 60 3.849 10.726 -8.472 1.00 0.00 N ATOM 911 CA ASP A 60 2.648 11.334 -9.105 1.00 0.00 C ATOM 912 C ASP A 60 1.391 10.470 -8.908 1.00 0.00 C ATOM 913 O ASP A 60 0.289 10.888 -9.282 1.00 0.00 O ATOM 914 CB ASP A 60 2.866 11.591 -10.619 1.00 0.00 C ATOM 915 CG ASP A 60 4.020 12.559 -10.914 1.00 0.00 C ATOM 916 OD1 ASP A 60 4.016 13.689 -10.375 1.00 0.00 O ATOM 917 OD2 ASP A 60 4.931 12.206 -11.699 1.00 0.00 O ATOM 0 H ASP A 60 4.485 10.285 -9.136 1.00 0.00 H new ATOM 0 HA ASP A 60 2.493 12.289 -8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.062 10.641 -11.116 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.947 11.991 -11.048 1.00 0.00 H new ATOM 922 N GLU A 61 1.557 9.257 -8.350 1.00 0.00 N ATOM 923 CA GLU A 61 0.422 8.389 -7.965 1.00 0.00 C ATOM 924 C GLU A 61 0.329 8.268 -6.435 1.00 0.00 C ATOM 925 O GLU A 61 -0.727 7.904 -5.912 1.00 0.00 O ATOM 926 CB GLU A 61 0.532 6.991 -8.635 1.00 0.00 C ATOM 927 CG GLU A 61 1.643 6.085 -8.086 1.00 0.00 C ATOM 928 CD GLU A 61 1.816 4.777 -8.851 1.00 0.00 C ATOM 929 OE1 GLU A 61 2.469 4.794 -9.916 1.00 0.00 O ATOM 930 OE2 GLU A 61 1.310 3.733 -8.398 1.00 0.00 O ATOM 0 H GLU A 61 2.472 8.851 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.497 8.852 -8.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.422 6.476 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.695 7.131 -9.704 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.586 6.632 -8.105 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.428 5.857 -7.042 1.00 0.00 H new ATOM 937 N ILE A 62 1.443 8.561 -5.717 1.00 0.00 N ATOM 938 CA ILE A 62 1.444 8.577 -4.243 1.00 0.00 C ATOM 939 C ILE A 62 0.794 9.877 -3.741 1.00 0.00 C ATOM 940 O ILE A 62 1.302 10.975 -3.983 1.00 0.00 O ATOM 941 CB ILE A 62 2.883 8.454 -3.601 1.00 0.00 C ATOM 942 CG1 ILE A 62 3.625 7.183 -4.092 1.00 0.00 C ATOM 943 CG2 ILE A 62 2.791 8.438 -2.051 1.00 0.00 C ATOM 944 CD1 ILE A 62 5.033 6.995 -3.538 1.00 0.00 C ATOM 0 H ILE A 62 2.344 8.787 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 62 0.878 7.698 -3.933 1.00 0.00 H new ATOM 0 HB ILE A 62 3.453 9.326 -3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.029 6.310 -3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.682 7.213 -5.180 1.00 0.00 H new ATOM 0 HG21 ILE A 62 3.792 8.353 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.328 9.362 -1.704 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.188 7.588 -1.731 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.464 6.079 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.653 7.845 -3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.990 6.927 -2.451 1.00 0.00 H new ATOM 956 N SER A 63 -0.344 9.722 -3.079 1.00 0.00 N ATOM 957 CA SER A 63 -1.007 10.772 -2.307 1.00 0.00 C ATOM 958 C SER A 63 -1.376 10.195 -0.936 1.00 0.00 C ATOM 959 O SER A 63 -1.158 9.003 -0.689 1.00 0.00 O ATOM 960 CB SER A 63 -2.261 11.258 -3.066 1.00 0.00 C ATOM 961 OG SER A 63 -3.212 10.214 -3.238 1.00 0.00 O ATOM 0 H SER A 63 -0.849 8.836 -3.062 1.00 0.00 H new ATOM 0 HA SER A 63 -0.348 11.629 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 63 -2.720 12.082 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.968 11.647 -4.041 1.00 0.00 H new ATOM 0 HG SER A 63 -2.747 9.352 -3.283 1.00 0.00 H new ATOM 967 N ALA A 64 -1.946 11.024 -0.053 1.00 0.00 N ATOM 968 CA ALA A 64 -2.507 10.557 1.234 1.00 0.00 C ATOM 969 C ALA A 64 -3.669 9.574 0.971 1.00 0.00 C ATOM 970 O ALA A 64 -3.856 8.583 1.687 1.00 0.00 O ATOM 971 CB ALA A 64 -2.973 11.757 2.069 1.00 0.00 C ATOM 0 H ALA A 64 -2.034 12.029 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.736 10.032 1.799 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.385 11.404 3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.126 12.415 2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.740 12.305 1.522 1.00 0.00 H new ATOM 977 N GLN A 65 -4.382 9.839 -0.137 1.00 0.00 N ATOM 978 CA GLN A 65 -5.507 9.022 -0.618 1.00 0.00 C ATOM 979 C GLN A 65 -5.046 7.647 -1.151 1.00 0.00 C ATOM 980 O GLN A 65 -5.872 6.776 -1.412 1.00 0.00 O ATOM 981 CB GLN A 65 -6.277 9.797 -1.716 1.00 0.00 C ATOM 982 CG GLN A 65 -6.752 11.204 -1.303 1.00 0.00 C ATOM 983 CD GLN A 65 -7.645 11.213 -0.062 1.00 0.00 C ATOM 984 OE1 GLN A 65 -8.864 11.096 -0.163 1.00 0.00 O ATOM 985 NE2 GLN A 65 -7.047 11.360 1.116 1.00 0.00 N ATOM 0 H GLN A 65 -4.188 10.643 -0.734 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.166 8.829 0.228 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.637 9.888 -2.593 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -7.145 9.209 -2.015 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.881 11.832 -1.117 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.296 11.652 -2.134 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.033 11.455 1.165 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.603 11.378 1.971 1.00 0.00 H new ATOM 994 N THR A 66 -3.728 7.468 -1.330 1.00 0.00 N ATOM 995 CA THR A 66 -3.145 6.174 -1.702 1.00 0.00 C ATOM 996 C THR A 66 -3.019 5.273 -0.455 1.00 0.00 C ATOM 997 O THR A 66 -3.318 4.081 -0.529 1.00 0.00 O ATOM 998 CB THR A 66 -1.755 6.371 -2.389 1.00 0.00 C ATOM 999 OG1 THR A 66 -1.917 7.249 -3.514 1.00 0.00 O ATOM 1000 CG2 THR A 66 -1.109 5.051 -2.860 1.00 0.00 C ATOM 0 H THR A 66 -3.041 8.214 -1.221 1.00 0.00 H new ATOM 0 HA THR A 66 -3.806 5.685 -2.418 1.00 0.00 H new ATOM 0 HB THR A 66 -1.084 6.797 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.189 7.100 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.147 5.263 -3.327 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.959 4.393 -2.004 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.763 4.563 -3.582 1.00 0.00 H new ATOM 1008 N PHE A 67 -2.611 5.857 0.707 1.00 0.00 N ATOM 1009 CA PHE A 67 -2.396 5.085 1.956 1.00 0.00 C ATOM 1010 C PHE A 67 -3.596 5.197 2.909 1.00 0.00 C ATOM 1011 O PHE A 67 -3.499 4.793 4.079 1.00 0.00 O ATOM 1012 CB PHE A 67 -1.062 5.517 2.641 1.00 0.00 C ATOM 1013 CG PHE A 67 0.190 4.863 2.023 1.00 0.00 C ATOM 1014 CD1 PHE A 67 0.766 5.359 0.852 1.00 0.00 C ATOM 1015 CD2 PHE A 67 0.771 3.731 2.609 1.00 0.00 C ATOM 1016 CE1 PHE A 67 1.882 4.757 0.291 1.00 0.00 C ATOM 1017 CE2 PHE A 67 1.885 3.129 2.042 1.00 0.00 C ATOM 1018 CZ PHE A 67 2.441 3.642 0.887 1.00 0.00 C ATOM 0 H PHE A 67 -2.426 6.856 0.800 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.310 4.031 1.692 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.965 6.601 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.109 5.264 3.700 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.335 6.227 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.346 3.322 3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.315 5.160 -0.613 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.319 2.256 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.310 3.173 0.450 1.00 0.00 H new ATOM 1028 N GLU A 68 -4.733 5.697 2.379 1.00 0.00 N ATOM 1029 CA GLU A 68 -5.975 5.867 3.150 1.00 0.00 C ATOM 1030 C GLU A 68 -6.505 4.525 3.695 1.00 0.00 C ATOM 1031 O GLU A 68 -6.965 4.460 4.825 1.00 0.00 O ATOM 1032 CB GLU A 68 -7.072 6.568 2.298 1.00 0.00 C ATOM 1033 CG GLU A 68 -7.582 5.771 1.077 1.00 0.00 C ATOM 1034 CD GLU A 68 -8.752 6.453 0.344 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -8.594 7.599 -0.120 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -9.840 5.854 0.237 1.00 0.00 O ATOM 0 H GLU A 68 -4.812 5.993 1.406 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.732 6.502 4.002 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.921 6.790 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.679 7.523 1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -6.759 5.628 0.377 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.897 4.781 1.405 1.00 0.00 H new ATOM 1043 N THR A 69 -6.421 3.472 2.870 1.00 0.00 N ATOM 1044 CA THR A 69 -7.023 2.165 3.143 1.00 0.00 C ATOM 1045 C THR A 69 -6.206 1.054 2.439 1.00 0.00 C ATOM 1046 O THR A 69 -5.578 1.307 1.408 1.00 0.00 O ATOM 1047 CB THR A 69 -8.538 2.215 2.684 1.00 0.00 C ATOM 1048 OG1 THR A 69 -9.360 2.732 3.737 1.00 0.00 O ATOM 1049 CG2 THR A 69 -9.106 0.892 2.196 1.00 0.00 C ATOM 0 H THR A 69 -5.924 3.508 1.980 1.00 0.00 H new ATOM 0 HA THR A 69 -7.003 1.929 4.207 1.00 0.00 H new ATOM 0 HB THR A 69 -8.549 2.879 1.820 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.293 2.759 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.147 1.029 1.905 1.00 0.00 H new ATOM 0 HG22 THR A 69 -8.532 0.544 1.338 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.047 0.154 2.996 1.00 0.00 H new ATOM 1057 N LEU A 70 -6.201 -0.165 3.040 1.00 0.00 N ATOM 1058 CA LEU A 70 -5.461 -1.343 2.526 1.00 0.00 C ATOM 1059 C LEU A 70 -5.809 -1.642 1.064 1.00 0.00 C ATOM 1060 O LEU A 70 -4.925 -1.954 0.263 1.00 0.00 O ATOM 1061 CB LEU A 70 -5.757 -2.607 3.380 1.00 0.00 C ATOM 1062 CG LEU A 70 -4.974 -3.890 2.946 1.00 0.00 C ATOM 1063 CD1 LEU A 70 -3.466 -3.706 3.170 1.00 0.00 C ATOM 1064 CD2 LEU A 70 -5.491 -5.165 3.646 1.00 0.00 C ATOM 0 H LEU A 70 -6.714 -0.357 3.900 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.402 -1.095 2.593 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.520 -2.389 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.825 -2.817 3.334 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.152 -4.029 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.940 -4.609 2.862 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.111 -2.860 2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.275 -3.517 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.913 -6.025 3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.384 -5.056 4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.542 -5.315 3.399 1.00 0.00 H new ATOM 1076 N GLY A 71 -7.112 -1.552 0.761 1.00 0.00 N ATOM 1077 CA GLY A 71 -7.641 -1.791 -0.573 1.00 0.00 C ATOM 1078 C GLY A 71 -7.037 -0.862 -1.604 1.00 0.00 C ATOM 1079 O GLY A 71 -6.744 -1.286 -2.714 1.00 0.00 O ATOM 0 H GLY A 71 -7.827 -1.309 1.446 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.446 -2.824 -0.859 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.723 -1.663 -0.561 1.00 0.00 H new ATOM 1083 N SER A 72 -6.818 0.405 -1.203 1.00 0.00 N ATOM 1084 CA SER A 72 -6.192 1.421 -2.056 1.00 0.00 C ATOM 1085 C SER A 72 -4.785 0.960 -2.492 1.00 0.00 C ATOM 1086 O SER A 72 -4.527 0.849 -3.689 1.00 0.00 O ATOM 1087 CB SER A 72 -6.137 2.776 -1.316 1.00 0.00 C ATOM 1088 OG SER A 72 -7.413 3.119 -0.801 1.00 0.00 O ATOM 0 H SER A 72 -7.072 0.748 -0.277 1.00 0.00 H new ATOM 0 HA SER A 72 -6.794 1.553 -2.955 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.414 2.722 -0.502 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.793 3.554 -1.997 1.00 0.00 H new ATOM 0 HG SER A 72 -7.635 4.037 -1.062 1.00 0.00 H new ATOM 1094 N LEU A 73 -3.919 0.588 -1.509 1.00 0.00 N ATOM 1095 CA LEU A 73 -2.538 0.116 -1.800 1.00 0.00 C ATOM 1096 C LEU A 73 -2.566 -1.160 -2.632 1.00 0.00 C ATOM 1097 O LEU A 73 -1.746 -1.332 -3.530 1.00 0.00 O ATOM 1098 CB LEU A 73 -1.712 -0.183 -0.519 1.00 0.00 C ATOM 1099 CG LEU A 73 -1.275 1.019 0.350 1.00 0.00 C ATOM 1100 CD1 LEU A 73 -0.613 2.109 -0.510 1.00 0.00 C ATOM 1101 CD2 LEU A 73 -2.441 1.559 1.178 1.00 0.00 C ATOM 0 H LEU A 73 -4.152 0.606 -0.516 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.063 0.933 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.297 -0.855 0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.815 -0.725 -0.817 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.523 0.671 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.315 2.943 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.267 1.698 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.321 2.460 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.101 2.403 1.778 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.240 1.885 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.815 0.774 1.835 1.00 0.00 H new ATOM 1113 N ALA A 74 -3.529 -2.038 -2.302 1.00 0.00 N ATOM 1114 CA ALA A 74 -3.687 -3.328 -2.953 1.00 0.00 C ATOM 1115 C ALA A 74 -3.959 -3.140 -4.446 1.00 0.00 C ATOM 1116 O ALA A 74 -3.285 -3.756 -5.244 1.00 0.00 O ATOM 1117 CB ALA A 74 -4.782 -4.154 -2.276 1.00 0.00 C ATOM 0 H ALA A 74 -4.218 -1.861 -1.571 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.756 -3.886 -2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.879 -5.114 -2.783 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.519 -4.320 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.729 -3.617 -2.331 1.00 0.00 H new ATOM 1123 N LEU A 75 -4.884 -2.211 -4.795 1.00 0.00 N ATOM 1124 CA LEU A 75 -5.207 -1.886 -6.204 1.00 0.00 C ATOM 1125 C LEU A 75 -3.992 -1.252 -6.915 1.00 0.00 C ATOM 1126 O LEU A 75 -3.678 -1.631 -8.043 1.00 0.00 O ATOM 1127 CB LEU A 75 -6.459 -0.954 -6.345 1.00 0.00 C ATOM 1128 CG LEU A 75 -7.870 -1.633 -6.474 1.00 0.00 C ATOM 1129 CD1 LEU A 75 -7.860 -2.779 -7.509 1.00 0.00 C ATOM 1130 CD2 LEU A 75 -8.422 -2.087 -5.118 1.00 0.00 C ATOM 0 H LEU A 75 -5.421 -1.672 -4.115 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.455 -2.832 -6.686 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.484 -0.294 -5.478 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.310 -0.324 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.554 -0.871 -6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.853 -3.223 -7.569 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.579 -2.385 -8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.141 -3.539 -7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.399 -2.550 -5.259 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.739 -2.809 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.521 -1.225 -4.458 1.00 0.00 H new ATOM 1142 N PHE A 76 -3.307 -0.301 -6.241 1.00 0.00 N ATOM 1143 CA PHE A 76 -2.110 0.373 -6.800 1.00 0.00 C ATOM 1144 C PHE A 76 -1.024 -0.656 -7.189 1.00 0.00 C ATOM 1145 O PHE A 76 -0.505 -0.617 -8.301 1.00 0.00 O ATOM 1146 CB PHE A 76 -1.551 1.443 -5.807 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.190 2.837 -5.947 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -3.451 3.114 -5.424 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -1.525 3.864 -6.617 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -4.021 4.365 -5.561 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.097 5.112 -6.755 1.00 0.00 C ATOM 1152 CZ PHE A 76 -3.344 5.364 -6.226 1.00 0.00 C ATOM 0 H PHE A 76 -3.562 0.019 -5.307 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.412 0.893 -7.709 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.702 1.088 -4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -0.475 1.533 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.992 2.338 -4.903 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.546 3.679 -7.035 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.999 4.560 -5.146 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.566 5.893 -7.279 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.790 6.342 -6.332 1.00 0.00 H new ATOM 1162 N VAL A 77 -0.741 -1.610 -6.290 1.00 0.00 N ATOM 1163 CA VAL A 77 0.276 -2.656 -6.525 1.00 0.00 C ATOM 1164 C VAL A 77 -0.237 -3.741 -7.512 1.00 0.00 C ATOM 1165 O VAL A 77 0.579 -4.421 -8.150 1.00 0.00 O ATOM 1166 CB VAL A 77 0.824 -3.288 -5.188 1.00 0.00 C ATOM 1167 CG1 VAL A 77 1.455 -2.210 -4.278 1.00 0.00 C ATOM 1168 CG2 VAL A 77 -0.265 -4.059 -4.442 1.00 0.00 C ATOM 0 H VAL A 77 -1.205 -1.682 -5.384 1.00 0.00 H new ATOM 0 HA VAL A 77 1.125 -2.161 -6.995 1.00 0.00 H new ATOM 0 HB VAL A 77 1.604 -3.999 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 77 1.824 -2.676 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.283 -1.731 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.704 -1.461 -4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.150 -4.480 -3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.083 -3.383 -4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.639 -4.864 -5.075 1.00 0.00 H new ATOM 1178 N GLU A 78 -1.592 -3.924 -7.623 1.00 0.00 N ATOM 1179 CA GLU A 78 -2.194 -4.760 -8.703 1.00 0.00 C ATOM 1180 C GLU A 78 -1.759 -4.206 -10.068 1.00 0.00 C ATOM 1181 O GLU A 78 -1.385 -4.954 -10.969 1.00 0.00 O ATOM 1182 CB GLU A 78 -3.760 -4.786 -8.691 1.00 0.00 C ATOM 1183 CG GLU A 78 -4.450 -5.426 -7.478 1.00 0.00 C ATOM 1184 CD GLU A 78 -4.144 -6.908 -7.264 1.00 0.00 C ATOM 1185 OE1 GLU A 78 -4.434 -7.725 -8.163 1.00 0.00 O ATOM 1186 OE2 GLU A 78 -3.659 -7.270 -6.180 1.00 0.00 O ATOM 0 H GLU A 78 -2.273 -3.509 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.842 -5.776 -8.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.114 -3.759 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -4.094 -5.313 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.158 -4.878 -6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.528 -5.306 -7.588 1.00 0.00 H new ATOM 1193 N HIS A 79 -1.812 -2.863 -10.173 1.00 0.00 N ATOM 1194 CA HIS A 79 -1.481 -2.140 -11.405 1.00 0.00 C ATOM 1195 C HIS A 79 0.011 -2.285 -11.719 1.00 0.00 C ATOM 1196 O HIS A 79 0.368 -2.781 -12.769 1.00 0.00 O ATOM 1197 CB HIS A 79 -1.830 -0.630 -11.286 1.00 0.00 C ATOM 1198 CG HIS A 79 -3.239 -0.310 -10.859 1.00 0.00 C ATOM 1199 ND1 HIS A 79 -3.586 0.894 -10.286 1.00 0.00 N ATOM 1200 CD2 HIS A 79 -4.387 -1.033 -10.918 1.00 0.00 C ATOM 1201 CE1 HIS A 79 -4.874 0.898 -10.009 1.00 0.00 C ATOM 1202 NE2 HIS A 79 -5.384 -0.256 -10.391 1.00 0.00 N ATOM 0 H HIS A 79 -2.086 -2.254 -9.402 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.074 -2.574 -12.210 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -1.143 -0.174 -10.573 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.648 -0.158 -12.252 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.494 -2.034 -11.308 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.419 1.708 -9.548 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.364 -0.527 -10.307 1.00 0.00 H new ATOM 1211 N LYS A 80 0.857 -1.898 -10.751 1.00 0.00 N ATOM 1212 CA LYS A 80 2.312 -1.741 -10.949 1.00 0.00 C ATOM 1213 C LYS A 80 2.999 -3.072 -11.294 1.00 0.00 C ATOM 1214 O LYS A 80 3.669 -3.183 -12.320 1.00 0.00 O ATOM 1215 CB LYS A 80 2.958 -1.114 -9.686 1.00 0.00 C ATOM 1216 CG LYS A 80 2.363 0.250 -9.265 1.00 0.00 C ATOM 1217 CD LYS A 80 2.469 1.325 -10.364 1.00 0.00 C ATOM 1218 CE LYS A 80 3.908 1.819 -10.592 1.00 0.00 C ATOM 1219 NZ LYS A 80 3.960 2.916 -11.594 1.00 0.00 N ATOM 0 H LYS A 80 0.551 -1.683 -9.802 1.00 0.00 H new ATOM 0 HA LYS A 80 2.455 -1.074 -11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.853 -1.813 -8.856 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.026 -0.990 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.315 0.115 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.877 0.602 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.078 0.920 -11.298 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.839 2.173 -10.096 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.327 2.168 -9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.529 0.989 -10.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.952 3.154 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.491 2.609 -12.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.473 3.754 -11.217 1.00 0.00 H new ATOM 1233 N LEU A 81 2.793 -4.085 -10.443 1.00 0.00 N ATOM 1234 CA LEU A 81 3.473 -5.393 -10.579 1.00 0.00 C ATOM 1235 C LEU A 81 2.968 -6.188 -11.808 1.00 0.00 C ATOM 1236 O LEU A 81 3.640 -7.115 -12.261 1.00 0.00 O ATOM 1237 CB LEU A 81 3.350 -6.242 -9.269 1.00 0.00 C ATOM 1238 CG LEU A 81 4.225 -5.790 -8.046 1.00 0.00 C ATOM 1239 CD1 LEU A 81 5.723 -5.715 -8.413 1.00 0.00 C ATOM 1240 CD2 LEU A 81 3.725 -4.464 -7.437 1.00 0.00 C ATOM 0 H LEU A 81 2.158 -4.029 -9.646 1.00 0.00 H new ATOM 0 HA LEU A 81 4.530 -5.183 -10.744 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.305 -6.238 -8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.608 -7.274 -9.508 1.00 0.00 H new ATOM 0 HG LEU A 81 4.115 -6.556 -7.278 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.296 -5.399 -7.541 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.068 -6.697 -8.737 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.864 -4.996 -9.220 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.359 -4.189 -6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.765 -3.679 -8.192 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.698 -4.586 -7.094 1.00 0.00 H new ATOM 1252 N SER A 82 1.796 -5.814 -12.351 1.00 0.00 N ATOM 1253 CA SER A 82 1.234 -6.458 -13.559 1.00 0.00 C ATOM 1254 C SER A 82 1.562 -5.645 -14.828 1.00 0.00 C ATOM 1255 O SER A 82 1.761 -6.210 -15.904 1.00 0.00 O ATOM 1256 CB SER A 82 -0.289 -6.617 -13.394 1.00 0.00 C ATOM 1257 OG SER A 82 -0.599 -7.451 -12.288 1.00 0.00 O ATOM 0 H SER A 82 1.215 -5.066 -11.973 1.00 0.00 H new ATOM 0 HA SER A 82 1.688 -7.442 -13.674 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.747 -5.638 -13.255 1.00 0.00 H new ATOM 0 HB3 SER A 82 -0.714 -7.041 -14.304 1.00 0.00 H new ATOM 0 HG SER A 82 -0.951 -6.904 -11.555 1.00 0.00 H new