USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 1011 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 115 THR OG1 : rot 180:sc= 0.407 USER MOD Set 1.2: A 119 LYS NZ :NH3+ 170:sc= 1.4 (180deg=1.17) USER MOD Set 2.1: A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 71 THR OG1 : rot 73:sc= 1.25 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.117) USER MOD Single : A 4 LYS NZ :NH3+ -176:sc=-0.000855 (180deg=-0.0263) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= 0.474 (180deg=0.226) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= -0.539 (180deg=-0.539) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 44 ASN : amide:sc= -0.0651 K(o=-0.065,f=-1.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 30:sc= 0 USER MOD Single : A 56 SER OG : rot 71:sc= 0.524 USER MOD Single : A 59 ASN : amide:sc= 0.27 X(o=0.27,f=0) USER MOD Single : A 60 MET CE :methyl 167:sc= -0.42 (180deg=-0.711) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 166:sc= 0 (180deg=-0.131) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 166:sc= -0.107 (180deg=-0.428) USER MOD Single : A 87 THR OG1 : rot 60:sc= 1.6 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 ASN : amide:sc= -1.02 X(o=-1,f=-1.1) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.694 F(o=-1.5,f=-0.69) USER MOD Single : A 104 SER OG : rot -110:sc= -0.225 USER MOD Single : A 106 TYR OH : rot 0:sc= 1.27 USER MOD Single : A 109 LYS NZ :NH3+ -169:sc= 1.25 (180deg=0.899) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 MET CE :methyl -164:sc= -0.0983 (180deg=-0.742) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.331 -18.526 -1.420 1.00 0.00 N ATOM 2 CA MET A 1 20.599 -18.165 -0.020 1.00 0.00 C ATOM 3 C MET A 1 20.195 -16.714 0.165 1.00 0.00 C ATOM 4 O MET A 1 21.033 -15.816 0.244 1.00 0.00 O ATOM 5 CB MET A 1 22.051 -18.442 0.399 1.00 0.00 C ATOM 6 CG MET A 1 22.318 -19.947 0.483 1.00 0.00 C ATOM 7 SD MET A 1 24.012 -20.395 0.943 1.00 0.00 S ATOM 8 CE MET A 1 23.885 -22.194 0.740 1.00 0.00 C ATOM 0 H1 MET A 1 20.403 -19.557 -1.532 1.00 0.00 H new ATOM 0 H2 MET A 1 19.374 -18.215 -1.682 1.00 0.00 H new ATOM 0 H3 MET A 1 21.027 -18.061 -2.038 1.00 0.00 H new ATOM 0 HA MET A 1 20.008 -18.796 0.644 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.734 -17.987 -0.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 22.249 -17.979 1.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.632 -20.383 1.209 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.088 -20.397 -0.483 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.843 -22.656 0.981 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.117 -22.582 1.408 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.620 -22.426 -0.291 1.00 0.00 H new ATOM 20 N ALA A 2 18.888 -16.478 0.194 1.00 0.00 N ATOM 21 CA ALA A 2 18.283 -15.176 0.363 1.00 0.00 C ATOM 22 C ALA A 2 17.117 -15.309 1.333 1.00 0.00 C ATOM 23 O ALA A 2 16.658 -16.417 1.635 1.00 0.00 O ATOM 24 CB ALA A 2 17.800 -14.670 -0.998 1.00 0.00 C ATOM 0 H ALA A 2 18.199 -17.224 0.096 1.00 0.00 H new ATOM 0 HA ALA A 2 19.003 -14.462 0.764 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.342 -13.688 -0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.647 -14.596 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 2 17.066 -15.366 -1.405 1.00 0.00 H new ATOM 30 N ASP A 3 16.604 -14.170 1.773 1.00 0.00 N ATOM 31 CA ASP A 3 15.341 -14.048 2.488 1.00 0.00 C ATOM 32 C ASP A 3 14.191 -14.388 1.531 1.00 0.00 C ATOM 33 O ASP A 3 14.396 -14.592 0.330 1.00 0.00 O ATOM 34 CB ASP A 3 15.183 -12.604 2.996 1.00 0.00 C ATOM 35 CG ASP A 3 16.177 -12.231 4.093 1.00 0.00 C ATOM 36 OD1 ASP A 3 17.373 -12.024 3.795 1.00 0.00 O ATOM 37 OD2 ASP A 3 15.769 -12.090 5.267 1.00 0.00 O ATOM 0 H ASP A 3 17.071 -13.274 1.638 1.00 0.00 H new ATOM 0 HA ASP A 3 15.325 -14.732 3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.304 -11.917 2.158 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.170 -12.469 3.374 1.00 0.00 H new ATOM 42 N LYS A 4 12.951 -14.366 2.030 1.00 0.00 N ATOM 43 CA LYS A 4 11.753 -14.360 1.188 1.00 0.00 C ATOM 44 C LYS A 4 11.776 -13.206 0.175 1.00 0.00 C ATOM 45 O LYS A 4 11.085 -13.286 -0.836 1.00 0.00 O ATOM 46 CB LYS A 4 10.489 -14.264 2.071 1.00 0.00 C ATOM 47 CG LYS A 4 9.324 -15.116 1.542 1.00 0.00 C ATOM 48 CD LYS A 4 9.465 -16.579 1.999 1.00 0.00 C ATOM 49 CE LYS A 4 8.344 -17.501 1.505 1.00 0.00 C ATOM 50 NZ LYS A 4 6.993 -17.022 1.860 1.00 0.00 N ATOM 0 H LYS A 4 12.751 -14.352 3.030 1.00 0.00 H new ATOM 0 HA LYS A 4 11.736 -15.294 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.735 -14.582 3.084 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.173 -13.223 2.132 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.378 -14.708 1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.300 -15.071 0.453 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.421 -16.967 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.490 -16.607 3.088 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.414 -17.598 0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.491 -18.496 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.286 -17.722 1.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.931 -16.890 2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.809 -16.116 1.383 1.00 0.00 H new ATOM 64 N GLU A 5 12.535 -12.137 0.453 1.00 0.00 N ATOM 65 CA GLU A 5 12.625 -10.909 -0.337 1.00 0.00 C ATOM 66 C GLU A 5 11.241 -10.337 -0.668 1.00 0.00 C ATOM 67 O GLU A 5 11.060 -9.693 -1.707 1.00 0.00 O ATOM 68 CB GLU A 5 13.523 -11.095 -1.573 1.00 0.00 C ATOM 69 CG GLU A 5 14.992 -11.328 -1.200 1.00 0.00 C ATOM 70 CD GLU A 5 15.896 -11.051 -2.399 1.00 0.00 C ATOM 71 OE1 GLU A 5 16.075 -9.862 -2.757 1.00 0.00 O ATOM 72 OE2 GLU A 5 16.431 -12.013 -2.999 1.00 0.00 O ATOM 0 H GLU A 5 13.133 -12.108 1.279 1.00 0.00 H new ATOM 0 HA GLU A 5 13.114 -10.154 0.279 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.161 -11.941 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 5 13.448 -10.213 -2.209 1.00 0.00 H new ATOM 0 HG2 GLU A 5 15.270 -10.679 -0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 5 15.130 -12.355 -0.862 1.00 0.00 H new ATOM 79 N LEU A 6 10.266 -10.556 0.230 1.00 0.00 N ATOM 80 CA LEU A 6 8.931 -10.002 0.096 1.00 0.00 C ATOM 81 C LEU A 6 9.081 -8.503 -0.061 1.00 0.00 C ATOM 82 O LEU A 6 9.643 -7.840 0.817 1.00 0.00 O ATOM 83 CB LEU A 6 8.031 -10.343 1.290 1.00 0.00 C ATOM 84 CG LEU A 6 6.631 -9.721 1.083 1.00 0.00 C ATOM 85 CD1 LEU A 6 5.544 -10.663 1.592 1.00 0.00 C ATOM 86 CD2 LEU A 6 6.435 -8.358 1.762 1.00 0.00 C ATOM 0 H LEU A 6 10.393 -11.125 1.067 1.00 0.00 H new ATOM 0 HA LEU A 6 8.441 -10.439 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.947 -11.424 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.474 -9.965 2.211 1.00 0.00 H new ATOM 0 HG LEU A 6 6.553 -9.565 0.007 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.566 -10.207 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.595 -11.606 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.693 -10.850 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.426 -7.995 1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.580 -8.463 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.160 -7.647 1.366 1.00 0.00 H new ATOM 98 N LYS A 7 8.628 -7.991 -1.198 1.00 0.00 N ATOM 99 CA LYS A 7 8.845 -6.596 -1.520 1.00 0.00 C ATOM 100 C LYS A 7 7.694 -5.783 -0.950 1.00 0.00 C ATOM 101 O LYS A 7 6.535 -6.175 -1.134 1.00 0.00 O ATOM 102 CB LYS A 7 9.000 -6.394 -3.029 1.00 0.00 C ATOM 103 CG LYS A 7 9.975 -5.249 -3.335 1.00 0.00 C ATOM 104 CD LYS A 7 11.461 -5.621 -3.278 1.00 0.00 C ATOM 105 CE LYS A 7 11.815 -6.668 -4.344 1.00 0.00 C ATOM 106 NZ LYS A 7 12.042 -8.010 -3.762 1.00 0.00 N ATOM 0 H LYS A 7 8.114 -8.519 -1.903 1.00 0.00 H new ATOM 0 HA LYS A 7 9.777 -6.253 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.360 -7.315 -3.487 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.028 -6.177 -3.472 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.753 -4.860 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.793 -4.440 -2.628 1.00 0.00 H new ATOM 0 HD2 LYS A 7 12.068 -4.728 -3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.703 -6.010 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.010 -6.724 -5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.710 -6.350 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.892 -8.735 -4.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.017 -8.074 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.377 -8.165 -2.978 1.00 0.00 H new ATOM 120 N PHE A 8 8.010 -4.669 -0.293 1.00 0.00 N ATOM 121 CA PHE A 8 7.031 -3.704 0.163 1.00 0.00 C ATOM 122 C PHE A 8 6.953 -2.628 -0.901 1.00 0.00 C ATOM 123 O PHE A 8 7.837 -1.775 -0.955 1.00 0.00 O ATOM 124 CB PHE A 8 7.460 -3.132 1.521 1.00 0.00 C ATOM 125 CG PHE A 8 6.843 -3.869 2.682 1.00 0.00 C ATOM 126 CD1 PHE A 8 7.422 -5.043 3.195 1.00 0.00 C ATOM 127 CD2 PHE A 8 5.644 -3.386 3.224 1.00 0.00 C ATOM 128 CE1 PHE A 8 6.802 -5.710 4.265 1.00 0.00 C ATOM 129 CE2 PHE A 8 5.031 -4.046 4.296 1.00 0.00 C ATOM 130 CZ PHE A 8 5.613 -5.210 4.824 1.00 0.00 C ATOM 0 H PHE A 8 8.970 -4.414 -0.062 1.00 0.00 H new ATOM 0 HA PHE A 8 6.050 -4.156 0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.546 -3.177 1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 8 7.179 -2.080 1.573 1.00 0.00 H new ATOM 0 HD1 PHE A 8 8.337 -5.429 2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.189 -2.498 2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.242 -6.613 4.661 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.113 -3.661 4.716 1.00 0.00 H new ATOM 0 HZ PHE A 8 5.149 -5.719 5.656 1.00 0.00 H new ATOM 140 N LEU A 9 5.958 -2.693 -1.785 1.00 0.00 N ATOM 141 CA LEU A 9 5.749 -1.629 -2.751 1.00 0.00 C ATOM 142 C LEU A 9 5.090 -0.447 -2.053 1.00 0.00 C ATOM 143 O LEU A 9 4.185 -0.655 -1.243 1.00 0.00 O ATOM 144 CB LEU A 9 4.849 -2.118 -3.890 1.00 0.00 C ATOM 145 CG LEU A 9 4.845 -1.149 -5.080 1.00 0.00 C ATOM 146 CD1 LEU A 9 6.232 -1.013 -5.720 1.00 0.00 C ATOM 147 CD2 LEU A 9 3.860 -1.671 -6.116 1.00 0.00 C ATOM 0 H LEU A 9 5.294 -3.464 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 9 6.710 -1.327 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 9 5.188 -3.099 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.831 -2.241 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 9 4.555 -0.162 -4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.180 -0.317 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.939 -0.638 -4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.565 -1.987 -6.078 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.841 -0.997 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.168 -2.664 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.864 -1.727 -5.676 1.00 0.00 H new ATOM 159 N VAL A 10 5.520 0.764 -2.402 1.00 0.00 N ATOM 160 CA VAL A 10 5.034 2.012 -1.816 1.00 0.00 C ATOM 161 C VAL A 10 4.783 3.030 -2.943 1.00 0.00 C ATOM 162 O VAL A 10 5.733 3.402 -3.634 1.00 0.00 O ATOM 163 CB VAL A 10 6.056 2.505 -0.764 1.00 0.00 C ATOM 164 CG1 VAL A 10 5.473 3.669 0.032 1.00 0.00 C ATOM 165 CG2 VAL A 10 6.465 1.425 0.260 1.00 0.00 C ATOM 0 H VAL A 10 6.233 0.908 -3.117 1.00 0.00 H new ATOM 0 HA VAL A 10 4.086 1.868 -1.298 1.00 0.00 H new ATOM 0 HB VAL A 10 6.937 2.795 -1.337 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.202 4.007 0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.234 4.489 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.566 3.343 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.183 1.845 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.582 1.084 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 10 6.919 0.582 -0.262 1.00 0.00 H new ATOM 175 N VAL A 11 3.536 3.466 -3.181 1.00 0.00 N ATOM 176 CA VAL A 11 3.173 4.333 -4.317 1.00 0.00 C ATOM 177 C VAL A 11 2.300 5.504 -3.826 1.00 0.00 C ATOM 178 O VAL A 11 1.187 5.697 -4.305 1.00 0.00 O ATOM 179 CB VAL A 11 2.537 3.523 -5.490 1.00 0.00 C ATOM 180 CG1 VAL A 11 2.641 4.277 -6.830 1.00 0.00 C ATOM 181 CG2 VAL A 11 3.166 2.132 -5.665 1.00 0.00 C ATOM 0 H VAL A 11 2.743 3.225 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 11 4.081 4.766 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 11 1.489 3.401 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.187 3.679 -7.620 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.120 5.231 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 11 3.690 4.455 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.683 1.616 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.231 2.238 -5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.031 1.554 -4.751 1.00 0.00 H new ATOM 191 N ASP A 12 2.770 6.280 -2.844 1.00 0.00 N ATOM 192 CA ASP A 12 2.124 7.534 -2.426 1.00 0.00 C ATOM 193 C ASP A 12 2.228 8.566 -3.553 1.00 0.00 C ATOM 194 O ASP A 12 3.197 8.544 -4.316 1.00 0.00 O ATOM 195 CB ASP A 12 2.775 8.144 -1.185 1.00 0.00 C ATOM 196 CG ASP A 12 2.742 7.216 0.017 1.00 0.00 C ATOM 197 OD1 ASP A 12 3.518 6.234 -0.002 1.00 0.00 O ATOM 198 OD2 ASP A 12 1.941 7.449 0.941 1.00 0.00 O ATOM 0 H ASP A 12 3.612 6.058 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 12 1.087 7.289 -2.195 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.810 8.399 -1.412 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.265 9.074 -0.934 1.00 0.00 H new ATOM 203 N ASP A 13 1.297 9.517 -3.641 1.00 0.00 N ATOM 204 CA ASP A 13 1.203 10.486 -4.738 1.00 0.00 C ATOM 205 C ASP A 13 2.225 11.603 -4.568 1.00 0.00 C ATOM 206 O ASP A 13 2.951 11.975 -5.497 1.00 0.00 O ATOM 207 CB ASP A 13 -0.188 11.129 -4.759 1.00 0.00 C ATOM 208 CG ASP A 13 -0.316 12.093 -5.937 1.00 0.00 C ATOM 209 OD1 ASP A 13 -0.304 11.652 -7.106 1.00 0.00 O ATOM 210 OD2 ASP A 13 -0.371 13.325 -5.712 1.00 0.00 O ATOM 0 H ASP A 13 0.570 9.639 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 13 1.392 9.946 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.952 10.355 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.362 11.663 -3.825 1.00 0.00 H new ATOM 215 N PHE A 14 2.280 12.146 -3.355 1.00 0.00 N ATOM 216 CA PHE A 14 3.247 13.136 -2.928 1.00 0.00 C ATOM 217 C PHE A 14 4.550 12.392 -2.650 1.00 0.00 C ATOM 218 O PHE A 14 4.582 11.544 -1.763 1.00 0.00 O ATOM 219 CB PHE A 14 2.691 13.834 -1.675 1.00 0.00 C ATOM 220 CG PHE A 14 3.596 14.841 -0.985 1.00 0.00 C ATOM 221 CD1 PHE A 14 4.501 15.633 -1.718 1.00 0.00 C ATOM 222 CD2 PHE A 14 3.487 15.029 0.406 1.00 0.00 C ATOM 223 CE1 PHE A 14 5.270 16.609 -1.063 1.00 0.00 C ATOM 224 CE2 PHE A 14 4.272 15.992 1.060 1.00 0.00 C ATOM 225 CZ PHE A 14 5.147 16.803 0.321 1.00 0.00 C ATOM 0 H PHE A 14 1.622 11.894 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 14 3.434 13.903 -3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.768 14.343 -1.953 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.425 13.065 -0.949 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.604 15.490 -2.784 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.794 14.427 0.975 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.962 17.215 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.202 16.109 2.131 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.722 17.572 0.815 1.00 0.00 H new ATOM 235 N SER A 15 5.626 12.679 -3.382 1.00 0.00 N ATOM 236 CA SER A 15 6.859 11.904 -3.256 1.00 0.00 C ATOM 237 C SER A 15 7.348 11.900 -1.805 1.00 0.00 C ATOM 238 O SER A 15 7.662 10.837 -1.267 1.00 0.00 O ATOM 239 CB SER A 15 7.896 12.414 -4.260 1.00 0.00 C ATOM 240 OG SER A 15 9.018 11.559 -4.335 1.00 0.00 O ATOM 0 H SER A 15 5.669 13.437 -4.063 1.00 0.00 H new ATOM 0 HA SER A 15 6.673 10.859 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.437 12.499 -5.245 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.220 13.414 -3.972 1.00 0.00 H new ATOM 0 HG SER A 15 9.658 11.915 -4.987 1.00 0.00 H new ATOM 246 N THR A 16 7.337 13.041 -1.117 1.00 0.00 N ATOM 247 CA THR A 16 7.740 13.105 0.282 1.00 0.00 C ATOM 248 C THR A 16 6.865 12.193 1.157 1.00 0.00 C ATOM 249 O THR A 16 7.415 11.505 2.009 1.00 0.00 O ATOM 250 CB THR A 16 7.755 14.573 0.724 1.00 0.00 C ATOM 251 OG1 THR A 16 8.546 15.284 -0.215 1.00 0.00 O ATOM 252 CG2 THR A 16 8.328 14.779 2.128 1.00 0.00 C ATOM 0 H THR A 16 7.051 13.937 -1.511 1.00 0.00 H new ATOM 0 HA THR A 16 8.751 12.718 0.406 1.00 0.00 H new ATOM 0 HB THR A 16 6.726 14.932 0.760 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.578 16.231 0.035 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.309 15.840 2.377 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.728 14.226 2.851 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.356 14.418 2.158 1.00 0.00 H new ATOM 260 N MET A 17 5.551 12.081 0.915 1.00 0.00 N ATOM 261 CA MET A 17 4.704 11.090 1.588 1.00 0.00 C ATOM 262 C MET A 17 5.251 9.675 1.345 1.00 0.00 C ATOM 263 O MET A 17 5.327 8.892 2.291 1.00 0.00 O ATOM 264 CB MET A 17 3.246 11.231 1.115 1.00 0.00 C ATOM 265 CG MET A 17 2.223 10.335 1.815 1.00 0.00 C ATOM 266 SD MET A 17 1.147 11.134 3.031 1.00 0.00 S ATOM 267 CE MET A 17 -0.002 9.752 3.255 1.00 0.00 C ATOM 0 H MET A 17 5.050 12.671 0.251 1.00 0.00 H new ATOM 0 HA MET A 17 4.720 11.269 2.663 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.941 12.269 1.248 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.210 11.022 0.046 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.594 9.876 1.053 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.761 9.528 2.313 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.767 10.029 3.980 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.474 9.513 2.302 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.543 8.881 3.618 1.00 0.00 H new ATOM 277 N ARG A 18 5.736 9.368 0.135 1.00 0.00 N ATOM 278 CA ARG A 18 6.291 8.054 -0.205 1.00 0.00 C ATOM 279 C ARG A 18 7.558 7.807 0.593 1.00 0.00 C ATOM 280 O ARG A 18 7.790 6.712 1.108 1.00 0.00 O ATOM 281 CB ARG A 18 6.547 7.991 -1.726 1.00 0.00 C ATOM 282 CG ARG A 18 6.315 6.597 -2.317 1.00 0.00 C ATOM 283 CD ARG A 18 6.354 6.652 -3.849 1.00 0.00 C ATOM 284 NE ARG A 18 7.706 6.908 -4.361 1.00 0.00 N ATOM 285 CZ ARG A 18 8.011 7.543 -5.495 1.00 0.00 C ATOM 286 NH1 ARG A 18 7.078 8.048 -6.287 1.00 0.00 N ATOM 287 NH2 ARG A 18 9.287 7.655 -5.826 1.00 0.00 N ATOM 0 H ARG A 18 5.754 10.030 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 18 5.583 7.266 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.894 8.705 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.573 8.299 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.078 5.909 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.351 6.210 -1.985 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.987 5.709 -4.254 1.00 0.00 H new ATOM 0 HD3 ARG A 18 5.680 7.434 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 18 8.485 6.569 -3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.093 7.957 -6.037 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.344 8.528 -7.147 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.007 7.261 -5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.550 8.135 -6.687 1.00 0.00 H new ATOM 301 N ARG A 19 8.382 8.850 0.715 1.00 0.00 N ATOM 302 CA ARG A 19 9.577 8.834 1.538 1.00 0.00 C ATOM 303 C ARG A 19 9.197 8.532 2.979 1.00 0.00 C ATOM 304 O ARG A 19 9.833 7.675 3.585 1.00 0.00 O ATOM 305 CB ARG A 19 10.349 10.166 1.402 1.00 0.00 C ATOM 306 CG ARG A 19 11.843 9.900 1.194 1.00 0.00 C ATOM 307 CD ARG A 19 12.106 9.412 -0.234 1.00 0.00 C ATOM 308 NE ARG A 19 13.346 8.628 -0.304 1.00 0.00 N ATOM 309 CZ ARG A 19 13.476 7.408 -0.840 1.00 0.00 C ATOM 310 NH1 ARG A 19 12.439 6.812 -1.418 1.00 0.00 N ATOM 311 NH2 ARG A 19 14.639 6.781 -0.758 1.00 0.00 N ATOM 0 H ARG A 19 8.229 9.737 0.236 1.00 0.00 H new ATOM 0 HA ARG A 19 10.248 8.046 1.196 1.00 0.00 H new ATOM 0 HB2 ARG A 19 9.955 10.738 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.202 10.771 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.411 10.811 1.384 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.189 9.154 1.909 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.268 8.804 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.174 10.267 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 19 14.185 9.052 0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 19 11.536 7.284 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 19 12.546 5.882 -1.824 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.427 7.228 -0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.747 5.851 -1.164 1.00 0.00 H new ATOM 325 N ILE A 20 8.164 9.192 3.508 1.00 0.00 N ATOM 326 CA ILE A 20 7.656 8.975 4.851 1.00 0.00 C ATOM 327 C ILE A 20 7.233 7.513 5.007 1.00 0.00 C ATOM 328 O ILE A 20 7.786 6.862 5.885 1.00 0.00 O ATOM 329 CB ILE A 20 6.570 10.017 5.218 1.00 0.00 C ATOM 330 CG1 ILE A 20 7.196 11.260 5.889 1.00 0.00 C ATOM 331 CG2 ILE A 20 5.523 9.462 6.197 1.00 0.00 C ATOM 332 CD1 ILE A 20 8.061 12.133 4.973 1.00 0.00 C ATOM 0 H ILE A 20 7.650 9.909 2.996 1.00 0.00 H new ATOM 0 HA ILE A 20 8.443 9.142 5.586 1.00 0.00 H new ATOM 0 HB ILE A 20 6.089 10.276 4.275 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.394 11.875 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.805 10.930 6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.787 10.235 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.024 8.604 5.748 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.015 9.154 7.120 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.453 12.978 5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.890 11.542 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.456 12.501 4.144 1.00 0.00 H new ATOM 344 N VAL A 21 6.293 6.983 4.218 1.00 0.00 N ATOM 345 CA VAL A 21 5.824 5.599 4.360 1.00 0.00 C ATOM 346 C VAL A 21 7.015 4.636 4.361 1.00 0.00 C ATOM 347 O VAL A 21 7.160 3.827 5.277 1.00 0.00 O ATOM 348 CB VAL A 21 4.811 5.228 3.251 1.00 0.00 C ATOM 349 CG1 VAL A 21 4.379 3.754 3.350 1.00 0.00 C ATOM 350 CG2 VAL A 21 3.536 6.059 3.340 1.00 0.00 C ATOM 0 H VAL A 21 5.837 7.498 3.465 1.00 0.00 H new ATOM 0 HA VAL A 21 5.305 5.512 5.314 1.00 0.00 H new ATOM 0 HB VAL A 21 5.328 5.421 2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.667 3.529 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.253 3.111 3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.910 3.576 4.318 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.854 5.765 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.059 5.891 4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.782 7.116 3.236 1.00 0.00 H new ATOM 360 N ARG A 22 7.896 4.730 3.361 1.00 0.00 N ATOM 361 CA ARG A 22 9.072 3.872 3.267 1.00 0.00 C ATOM 362 C ARG A 22 10.006 4.069 4.472 1.00 0.00 C ATOM 363 O ARG A 22 10.583 3.094 4.949 1.00 0.00 O ATOM 364 CB ARG A 22 9.686 4.083 1.869 1.00 0.00 C ATOM 365 CG ARG A 22 11.009 3.375 1.579 1.00 0.00 C ATOM 366 CD ARG A 22 12.199 4.205 2.064 1.00 0.00 C ATOM 367 NE ARG A 22 13.477 3.831 1.434 1.00 0.00 N ATOM 368 CZ ARG A 22 14.654 4.340 1.822 1.00 0.00 C ATOM 369 NH1 ARG A 22 14.683 5.228 2.813 1.00 0.00 N ATOM 370 NH2 ARG A 22 15.784 3.977 1.235 1.00 0.00 N ATOM 0 H ARG A 22 7.811 5.402 2.598 1.00 0.00 H new ATOM 0 HA ARG A 22 8.824 2.813 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.958 3.758 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.835 5.153 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.018 2.401 2.068 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.101 3.194 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.001 5.258 1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.291 4.096 3.145 1.00 0.00 H new ATOM 0 HE ARG A 22 13.465 3.156 0.670 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.816 5.513 3.268 1.00 0.00 H new ATOM 0 HH12 ARG A 22 15.573 5.623 3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.768 3.299 0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 22 16.670 4.376 1.544 1.00 0.00 H new ATOM 384 N ASN A 23 10.147 5.283 5.008 1.00 0.00 N ATOM 385 CA ASN A 23 10.902 5.537 6.237 1.00 0.00 C ATOM 386 C ASN A 23 10.240 4.855 7.437 1.00 0.00 C ATOM 387 O ASN A 23 10.935 4.226 8.228 1.00 0.00 O ATOM 388 CB ASN A 23 11.068 7.044 6.497 1.00 0.00 C ATOM 389 CG ASN A 23 11.908 7.286 7.745 1.00 0.00 C ATOM 390 OD1 ASN A 23 13.116 7.058 7.720 1.00 0.00 O ATOM 391 ND2 ASN A 23 11.319 7.740 8.836 1.00 0.00 N ATOM 0 H ASN A 23 9.738 6.123 4.599 1.00 0.00 H new ATOM 0 HA ASN A 23 11.896 5.110 6.102 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.542 7.517 5.637 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.089 7.508 6.616 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.868 7.908 9.679 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.315 7.923 8.835 1.00 0.00 H new ATOM 398 N LEU A 24 8.914 4.947 7.573 1.00 0.00 N ATOM 399 CA LEU A 24 8.146 4.330 8.658 1.00 0.00 C ATOM 400 C LEU A 24 8.271 2.805 8.598 1.00 0.00 C ATOM 401 O LEU A 24 8.409 2.163 9.633 1.00 0.00 O ATOM 402 CB LEU A 24 6.669 4.763 8.612 1.00 0.00 C ATOM 403 CG LEU A 24 6.431 6.272 8.832 1.00 0.00 C ATOM 404 CD1 LEU A 24 4.973 6.602 8.510 1.00 0.00 C ATOM 405 CD2 LEU A 24 6.837 6.774 10.223 1.00 0.00 C ATOM 0 H LEU A 24 8.331 5.465 6.916 1.00 0.00 H new ATOM 0 HA LEU A 24 8.560 4.674 9.606 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.252 4.481 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.118 4.208 9.371 1.00 0.00 H new ATOM 0 HG LEU A 24 7.090 6.808 8.149 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.799 7.667 8.664 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.763 6.346 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.317 6.029 9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.638 7.843 10.296 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.262 6.245 10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.900 6.591 10.380 1.00 0.00 H new ATOM 417 N LEU A 25 8.272 2.219 7.398 1.00 0.00 N ATOM 418 CA LEU A 25 8.546 0.798 7.181 1.00 0.00 C ATOM 419 C LEU A 25 9.948 0.438 7.669 1.00 0.00 C ATOM 420 O LEU A 25 10.127 -0.555 8.374 1.00 0.00 O ATOM 421 CB LEU A 25 8.378 0.474 5.687 1.00 0.00 C ATOM 422 CG LEU A 25 6.902 0.249 5.328 1.00 0.00 C ATOM 423 CD1 LEU A 25 6.660 0.528 3.848 1.00 0.00 C ATOM 424 CD2 LEU A 25 6.479 -1.185 5.663 1.00 0.00 C ATOM 0 H LEU A 25 8.079 2.728 6.536 1.00 0.00 H new ATOM 0 HA LEU A 25 7.838 0.200 7.755 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.780 1.291 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.955 -0.417 5.439 1.00 0.00 H new ATOM 0 HG LEU A 25 6.301 0.941 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.608 0.363 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.923 1.562 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.275 -0.141 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.430 -1.325 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.091 -1.887 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.614 -1.365 6.730 1.00 0.00 H new ATOM 436 N LYS A 26 10.949 1.256 7.341 1.00 0.00 N ATOM 437 CA LYS A 26 12.309 1.072 7.842 1.00 0.00 C ATOM 438 C LYS A 26 12.372 1.238 9.371 1.00 0.00 C ATOM 439 O LYS A 26 13.223 0.620 10.017 1.00 0.00 O ATOM 440 CB LYS A 26 13.239 2.047 7.103 1.00 0.00 C ATOM 441 CG LYS A 26 13.397 1.747 5.596 1.00 0.00 C ATOM 442 CD LYS A 26 14.590 0.842 5.275 1.00 0.00 C ATOM 443 CE LYS A 26 15.893 1.624 5.453 1.00 0.00 C ATOM 444 NZ LYS A 26 17.083 0.773 5.294 1.00 0.00 N ATOM 0 H LYS A 26 10.840 2.060 6.724 1.00 0.00 H new ATOM 0 HA LYS A 26 12.643 0.054 7.643 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.855 3.060 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.222 2.021 7.573 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.485 1.276 5.230 1.00 0.00 H new ATOM 0 HG3 LYS A 26 13.509 2.687 5.056 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.585 -0.029 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 26 14.513 0.472 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 26 15.929 2.435 4.725 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.907 2.082 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.940 1.347 5.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.064 0.014 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.087 0.356 4.341 1.00 0.00 H new ATOM 458 N GLU A 27 11.491 2.022 9.999 1.00 0.00 N ATOM 459 CA GLU A 27 11.393 2.107 11.463 1.00 0.00 C ATOM 460 C GLU A 27 10.795 0.828 12.073 1.00 0.00 C ATOM 461 O GLU A 27 10.799 0.679 13.295 1.00 0.00 O ATOM 462 CB GLU A 27 10.582 3.332 11.930 1.00 0.00 C ATOM 463 CG GLU A 27 11.055 4.666 11.333 1.00 0.00 C ATOM 464 CD GLU A 27 11.250 5.755 12.380 1.00 0.00 C ATOM 465 OE1 GLU A 27 10.292 6.502 12.678 1.00 0.00 O ATOM 466 OE2 GLU A 27 12.392 5.904 12.880 1.00 0.00 O ATOM 0 H GLU A 27 10.824 2.617 9.508 1.00 0.00 H new ATOM 0 HA GLU A 27 12.416 2.221 11.821 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.535 3.181 11.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.634 3.395 13.017 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.995 4.507 10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.327 5.005 10.596 1.00 0.00 H new ATOM 473 N LEU A 28 10.290 -0.098 11.253 1.00 0.00 N ATOM 474 CA LEU A 28 9.597 -1.319 11.655 1.00 0.00 C ATOM 475 C LEU A 28 10.300 -2.576 11.135 1.00 0.00 C ATOM 476 O LEU A 28 9.786 -3.684 11.293 1.00 0.00 O ATOM 477 CB LEU A 28 8.140 -1.248 11.179 1.00 0.00 C ATOM 478 CG LEU A 28 7.330 -0.137 11.864 1.00 0.00 C ATOM 479 CD1 LEU A 28 5.995 0.018 11.140 1.00 0.00 C ATOM 480 CD2 LEU A 28 7.089 -0.434 13.346 1.00 0.00 C ATOM 0 H LEU A 28 10.359 -0.009 10.239 1.00 0.00 H new ATOM 0 HA LEU A 28 9.616 -1.391 12.742 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.125 -1.087 10.101 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.657 -2.207 11.365 1.00 0.00 H new ATOM 0 HG LEU A 28 7.903 0.789 11.809 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.411 0.805 11.618 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.175 0.282 10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.445 -0.922 11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.513 0.377 13.791 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.536 -1.368 13.445 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.046 -0.523 13.860 1.00 0.00 H new ATOM 492 N GLY A 29 11.488 -2.421 10.548 1.00 0.00 N ATOM 493 CA GLY A 29 12.312 -3.528 10.105 1.00 0.00 C ATOM 494 C GLY A 29 11.811 -4.092 8.785 1.00 0.00 C ATOM 495 O GLY A 29 11.688 -5.311 8.653 1.00 0.00 O ATOM 0 H GLY A 29 11.903 -1.507 10.368 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.344 -3.195 9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 29 12.311 -4.312 10.862 1.00 0.00 H new ATOM 499 N PHE A 30 11.536 -3.226 7.807 1.00 0.00 N ATOM 500 CA PHE A 30 11.218 -3.602 6.438 1.00 0.00 C ATOM 501 C PHE A 30 12.073 -2.748 5.513 1.00 0.00 C ATOM 502 O PHE A 30 11.871 -1.537 5.419 1.00 0.00 O ATOM 503 CB PHE A 30 9.719 -3.441 6.167 1.00 0.00 C ATOM 504 CG PHE A 30 8.867 -4.287 7.085 1.00 0.00 C ATOM 505 CD1 PHE A 30 8.753 -5.671 6.868 1.00 0.00 C ATOM 506 CD2 PHE A 30 8.257 -3.703 8.209 1.00 0.00 C ATOM 507 CE1 PHE A 30 8.011 -6.467 7.759 1.00 0.00 C ATOM 508 CE2 PHE A 30 7.541 -4.503 9.111 1.00 0.00 C ATOM 509 CZ PHE A 30 7.413 -5.883 8.887 1.00 0.00 C ATOM 0 H PHE A 30 11.530 -2.217 7.955 1.00 0.00 H new ATOM 0 HA PHE A 30 11.443 -4.654 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.443 -2.393 6.285 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.510 -3.711 5.132 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.236 -6.124 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.340 -2.639 8.378 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.901 -7.526 7.576 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.086 -4.055 9.982 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.855 -6.494 9.581 1.00 0.00 H new ATOM 519 N ASN A 31 13.062 -3.368 4.861 1.00 0.00 N ATOM 520 CA ASN A 31 14.011 -2.678 3.989 1.00 0.00 C ATOM 521 C ASN A 31 14.043 -3.226 2.566 1.00 0.00 C ATOM 522 O ASN A 31 14.629 -2.584 1.697 1.00 0.00 O ATOM 523 CB ASN A 31 15.417 -2.636 4.602 1.00 0.00 C ATOM 524 CG ASN A 31 16.289 -3.820 4.206 1.00 0.00 C ATOM 525 OD1 ASN A 31 17.153 -3.699 3.343 1.00 0.00 O ATOM 526 ND2 ASN A 31 16.117 -4.967 4.828 1.00 0.00 N ATOM 0 H ASN A 31 13.226 -4.373 4.926 1.00 0.00 H new ATOM 0 HA ASN A 31 13.644 -1.655 3.909 1.00 0.00 H new ATOM 0 HB2 ASN A 31 15.910 -1.713 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 31 15.330 -2.606 5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 31 16.705 -5.767 4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 31 15.396 -5.056 5.544 1.00 0.00 H new ATOM 533 N ASN A 32 13.363 -4.337 2.282 1.00 0.00 N ATOM 534 CA ASN A 32 13.082 -4.801 0.917 1.00 0.00 C ATOM 535 C ASN A 32 11.912 -3.976 0.360 1.00 0.00 C ATOM 536 O ASN A 32 10.909 -4.511 -0.103 1.00 0.00 O ATOM 537 CB ASN A 32 12.765 -6.309 0.894 1.00 0.00 C ATOM 538 CG ASN A 32 13.978 -7.189 1.159 1.00 0.00 C ATOM 539 OD1 ASN A 32 14.471 -7.866 0.269 1.00 0.00 O ATOM 540 ND2 ASN A 32 14.496 -7.235 2.375 1.00 0.00 N ATOM 0 H ASN A 32 12.985 -4.952 3.003 1.00 0.00 H new ATOM 0 HA ASN A 32 13.963 -4.659 0.291 1.00 0.00 H new ATOM 0 HB2 ASN A 32 12.001 -6.523 1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.343 -6.569 -0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.301 -7.832 2.564 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.091 -6.673 3.124 1.00 0.00 H new ATOM 547 N VAL A 33 11.984 -2.656 0.477 1.00 0.00 N ATOM 548 CA VAL A 33 10.993 -1.735 -0.055 1.00 0.00 C ATOM 549 C VAL A 33 11.249 -1.532 -1.548 1.00 0.00 C ATOM 550 O VAL A 33 12.372 -1.724 -2.029 1.00 0.00 O ATOM 551 CB VAL A 33 11.033 -0.405 0.728 1.00 0.00 C ATOM 552 CG1 VAL A 33 10.313 -0.580 2.076 1.00 0.00 C ATOM 553 CG2 VAL A 33 12.477 0.089 0.945 1.00 0.00 C ATOM 0 H VAL A 33 12.753 -2.187 0.956 1.00 0.00 H new ATOM 0 HA VAL A 33 9.991 -2.148 0.064 1.00 0.00 H new ATOM 0 HB VAL A 33 10.520 0.354 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.342 0.359 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.276 -0.866 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.811 -1.357 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.461 1.027 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.036 -0.657 1.510 1.00 0.00 H new ATOM 0 HG23 VAL A 33 12.957 0.247 -0.021 1.00 0.00 H new ATOM 563 N GLU A 34 10.231 -1.078 -2.263 1.00 0.00 N ATOM 564 CA GLU A 34 10.285 -0.576 -3.622 1.00 0.00 C ATOM 565 C GLU A 34 9.261 0.540 -3.735 1.00 0.00 C ATOM 566 O GLU A 34 8.404 0.710 -2.864 1.00 0.00 O ATOM 567 CB GLU A 34 9.966 -1.702 -4.619 1.00 0.00 C ATOM 568 CG GLU A 34 10.913 -1.814 -5.827 1.00 0.00 C ATOM 569 CD GLU A 34 12.406 -1.897 -5.479 1.00 0.00 C ATOM 570 OE1 GLU A 34 13.017 -0.822 -5.264 1.00 0.00 O ATOM 571 OE2 GLU A 34 12.977 -3.013 -5.489 1.00 0.00 O ATOM 0 H GLU A 34 9.285 -1.050 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 34 11.282 -0.203 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.978 -2.651 -4.083 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.951 -1.558 -4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.640 -2.699 -6.402 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.754 -0.952 -6.475 1.00 0.00 H new ATOM 578 N GLU A 35 9.319 1.272 -4.835 1.00 0.00 N ATOM 579 CA GLU A 35 8.407 2.358 -5.141 1.00 0.00 C ATOM 580 C GLU A 35 7.944 2.163 -6.584 1.00 0.00 C ATOM 581 O GLU A 35 8.555 1.380 -7.318 1.00 0.00 O ATOM 582 CB GLU A 35 9.138 3.692 -4.929 1.00 0.00 C ATOM 583 CG GLU A 35 9.482 3.980 -3.455 1.00 0.00 C ATOM 584 CD GLU A 35 10.630 4.978 -3.325 1.00 0.00 C ATOM 585 OE1 GLU A 35 10.437 6.174 -3.654 1.00 0.00 O ATOM 586 OE2 GLU A 35 11.736 4.594 -2.863 1.00 0.00 O ATOM 0 H GLU A 35 10.022 1.122 -5.559 1.00 0.00 H new ATOM 0 HA GLU A 35 7.532 2.366 -4.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.058 3.690 -5.514 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.518 4.502 -5.313 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.601 4.371 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.751 3.049 -2.956 1.00 0.00 H new ATOM 593 N ALA A 36 6.896 2.865 -7.011 1.00 0.00 N ATOM 594 CA ALA A 36 6.449 2.881 -8.398 1.00 0.00 C ATOM 595 C ALA A 36 6.106 4.311 -8.796 1.00 0.00 C ATOM 596 O ALA A 36 6.011 5.195 -7.944 1.00 0.00 O ATOM 597 CB ALA A 36 5.240 1.954 -8.590 1.00 0.00 C ATOM 0 H ALA A 36 6.328 3.445 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 36 7.250 2.513 -9.040 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.923 1.981 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.517 0.935 -8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.421 2.287 -7.953 1.00 0.00 H new ATOM 603 N GLU A 37 5.905 4.519 -10.092 1.00 0.00 N ATOM 604 CA GLU A 37 5.586 5.816 -10.666 1.00 0.00 C ATOM 605 C GLU A 37 4.117 6.182 -10.417 1.00 0.00 C ATOM 606 O GLU A 37 3.797 7.363 -10.255 1.00 0.00 O ATOM 607 CB GLU A 37 5.876 5.753 -12.174 1.00 0.00 C ATOM 608 CG GLU A 37 7.331 5.363 -12.505 1.00 0.00 C ATOM 609 CD GLU A 37 8.193 6.564 -12.879 1.00 0.00 C ATOM 610 OE1 GLU A 37 8.138 7.031 -14.044 1.00 0.00 O ATOM 611 OE2 GLU A 37 8.942 7.054 -12.000 1.00 0.00 O ATOM 0 H GLU A 37 5.961 3.773 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 37 6.196 6.587 -10.195 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.201 5.032 -12.636 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.658 6.724 -12.619 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.772 4.858 -11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.333 4.649 -13.329 1.00 0.00 H new ATOM 618 N ASP A 38 3.217 5.193 -10.389 1.00 0.00 N ATOM 619 CA ASP A 38 1.761 5.301 -10.215 1.00 0.00 C ATOM 620 C ASP A 38 1.167 3.893 -10.200 1.00 0.00 C ATOM 621 O ASP A 38 1.911 2.924 -10.337 1.00 0.00 O ATOM 622 CB ASP A 38 1.071 6.183 -11.286 1.00 0.00 C ATOM 623 CG ASP A 38 0.628 5.468 -12.565 1.00 0.00 C ATOM 624 OD1 ASP A 38 1.351 4.573 -13.059 1.00 0.00 O ATOM 625 OD2 ASP A 38 -0.441 5.845 -13.101 1.00 0.00 O ATOM 0 H ASP A 38 3.508 4.221 -10.495 1.00 0.00 H new ATOM 0 HA ASP A 38 1.576 5.806 -9.267 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.196 6.650 -10.834 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.755 6.986 -11.561 1.00 0.00 H new ATOM 630 N GLY A 39 -0.150 3.761 -10.012 1.00 0.00 N ATOM 631 CA GLY A 39 -0.859 2.492 -10.044 1.00 0.00 C ATOM 632 C GLY A 39 -0.573 1.633 -11.282 1.00 0.00 C ATOM 633 O GLY A 39 -0.467 0.416 -11.144 1.00 0.00 O ATOM 0 H GLY A 39 -0.761 4.557 -9.829 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.596 1.921 -9.153 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.930 2.688 -9.993 1.00 0.00 H new ATOM 637 N VAL A 40 -0.428 2.211 -12.479 1.00 0.00 N ATOM 638 CA VAL A 40 -0.169 1.412 -13.678 1.00 0.00 C ATOM 639 C VAL A 40 1.204 0.747 -13.530 1.00 0.00 C ATOM 640 O VAL A 40 1.347 -0.457 -13.764 1.00 0.00 O ATOM 641 CB VAL A 40 -0.271 2.269 -14.961 1.00 0.00 C ATOM 642 CG1 VAL A 40 -0.182 1.379 -16.211 1.00 0.00 C ATOM 643 CG2 VAL A 40 -1.591 3.056 -15.042 1.00 0.00 C ATOM 0 H VAL A 40 -0.485 3.216 -12.641 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.929 0.637 -13.778 1.00 0.00 H new ATOM 0 HB VAL A 40 0.560 2.973 -14.920 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.256 1.999 -17.105 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.771 0.850 -16.214 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.998 0.657 -16.202 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.610 3.640 -15.962 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.430 2.360 -15.036 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.669 3.725 -14.185 1.00 0.00 H new ATOM 653 N ASP A 41 2.206 1.510 -13.087 1.00 0.00 N ATOM 654 CA ASP A 41 3.523 0.962 -12.793 1.00 0.00 C ATOM 655 C ASP A 41 3.447 -0.008 -11.611 1.00 0.00 C ATOM 656 O ASP A 41 4.097 -1.048 -11.638 1.00 0.00 O ATOM 657 CB ASP A 41 4.532 2.081 -12.515 1.00 0.00 C ATOM 658 CG ASP A 41 5.964 1.559 -12.358 1.00 0.00 C ATOM 659 OD1 ASP A 41 6.353 0.542 -12.983 1.00 0.00 O ATOM 660 OD2 ASP A 41 6.723 2.192 -11.593 1.00 0.00 O ATOM 0 H ASP A 41 2.125 2.514 -12.925 1.00 0.00 H new ATOM 0 HA ASP A 41 3.867 0.411 -13.668 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.500 2.804 -13.330 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.241 2.610 -11.608 1.00 0.00 H new ATOM 665 N ALA A 42 2.625 0.271 -10.590 1.00 0.00 N ATOM 666 CA ALA A 42 2.473 -0.562 -9.415 1.00 0.00 C ATOM 667 C ALA A 42 2.029 -1.958 -9.816 1.00 0.00 C ATOM 668 O ALA A 42 2.667 -2.934 -9.429 1.00 0.00 O ATOM 669 CB ALA A 42 1.473 0.069 -8.439 1.00 0.00 C ATOM 0 H ALA A 42 2.038 1.105 -10.569 1.00 0.00 H new ATOM 0 HA ALA A 42 3.437 -0.640 -8.911 1.00 0.00 H new ATOM 0 HB1 ALA A 42 1.370 -0.569 -7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.833 1.051 -8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.504 0.174 -8.928 1.00 0.00 H new ATOM 675 N LEU A 43 0.975 -2.053 -10.630 1.00 0.00 N ATOM 676 CA LEU A 43 0.484 -3.311 -11.170 1.00 0.00 C ATOM 677 C LEU A 43 1.610 -4.047 -11.904 1.00 0.00 C ATOM 678 O LEU A 43 1.808 -5.255 -11.729 1.00 0.00 O ATOM 679 CB LEU A 43 -0.699 -3.027 -12.104 1.00 0.00 C ATOM 680 CG LEU A 43 -1.539 -4.297 -12.316 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.591 -4.444 -11.211 1.00 0.00 C ATOM 682 CD2 LEU A 43 -2.211 -4.248 -13.690 1.00 0.00 C ATOM 0 H LEU A 43 0.435 -1.243 -10.933 1.00 0.00 H new ATOM 0 HA LEU A 43 0.143 -3.955 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.322 -2.239 -11.681 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.332 -2.663 -13.064 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.880 -5.164 -12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.174 -5.349 -11.381 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.095 -4.509 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.254 -3.579 -11.222 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.805 -5.150 -13.837 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.859 -3.373 -13.747 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.448 -4.186 -14.466 1.00 0.00 H new ATOM 694 N ASN A 44 2.388 -3.298 -12.693 1.00 0.00 N ATOM 695 CA ASN A 44 3.515 -3.839 -13.437 1.00 0.00 C ATOM 696 C ASN A 44 4.663 -4.306 -12.535 1.00 0.00 C ATOM 697 O ASN A 44 5.433 -5.175 -12.945 1.00 0.00 O ATOM 698 CB ASN A 44 4.023 -2.828 -14.475 1.00 0.00 C ATOM 699 CG ASN A 44 4.848 -3.537 -15.541 1.00 0.00 C ATOM 700 OD1 ASN A 44 4.524 -4.653 -15.938 1.00 0.00 O ATOM 701 ND2 ASN A 44 5.889 -2.923 -16.073 1.00 0.00 N ATOM 0 H ASN A 44 2.248 -2.297 -12.829 1.00 0.00 H new ATOM 0 HA ASN A 44 3.143 -4.724 -13.954 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.179 -2.317 -14.938 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.628 -2.065 -13.985 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.424 -3.376 -16.814 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.158 -1.996 -15.743 1.00 0.00 H new ATOM 708 N LYS A 45 4.799 -3.779 -11.311 1.00 0.00 N ATOM 709 CA LYS A 45 5.654 -4.392 -10.293 1.00 0.00 C ATOM 710 C LYS A 45 5.057 -5.736 -9.910 1.00 0.00 C ATOM 711 O LYS A 45 5.760 -6.739 -9.976 1.00 0.00 O ATOM 712 CB LYS A 45 5.838 -3.534 -9.028 1.00 0.00 C ATOM 713 CG LYS A 45 6.995 -2.540 -9.128 1.00 0.00 C ATOM 714 CD LYS A 45 6.620 -1.335 -9.978 1.00 0.00 C ATOM 715 CE LYS A 45 7.670 -0.247 -9.828 1.00 0.00 C ATOM 716 NZ LYS A 45 8.888 -0.488 -10.618 1.00 0.00 N ATOM 0 H LYS A 45 4.326 -2.929 -11.004 1.00 0.00 H new ATOM 0 HA LYS A 45 6.647 -4.498 -10.731 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.916 -2.987 -8.832 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.006 -4.191 -8.175 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.279 -2.208 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.865 -3.035 -9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.536 -1.629 -11.024 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.644 -0.955 -9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.237 0.708 -10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.941 -0.159 -8.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.559 0.292 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.325 -1.383 -10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.642 -0.544 -11.627 1.00 0.00 H new ATOM 730 N LEU A 46 3.782 -5.779 -9.503 1.00 0.00 N ATOM 731 CA LEU A 46 3.203 -6.994 -8.914 1.00 0.00 C ATOM 732 C LEU A 46 3.382 -8.172 -9.863 1.00 0.00 C ATOM 733 O LEU A 46 3.843 -9.228 -9.430 1.00 0.00 O ATOM 734 CB LEU A 46 1.713 -6.884 -8.535 1.00 0.00 C ATOM 735 CG LEU A 46 1.228 -5.495 -8.129 1.00 0.00 C ATOM 736 CD1 LEU A 46 -0.278 -5.489 -7.954 1.00 0.00 C ATOM 737 CD2 LEU A 46 1.893 -4.903 -6.881 1.00 0.00 C ATOM 0 H LEU A 46 3.135 -4.993 -9.570 1.00 0.00 H new ATOM 0 HA LEU A 46 3.748 -7.144 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.117 -7.222 -9.382 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.516 -7.571 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 46 1.528 -4.849 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.607 -4.491 -7.665 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.755 -5.770 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.557 -6.202 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.477 -3.916 -6.681 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.709 -5.555 -6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.967 -4.817 -7.047 1.00 0.00 H new ATOM 749 N GLN A 47 3.050 -7.999 -11.147 1.00 0.00 N ATOM 750 CA GLN A 47 3.179 -9.088 -12.113 1.00 0.00 C ATOM 751 C GLN A 47 4.617 -9.299 -12.620 1.00 0.00 C ATOM 752 O GLN A 47 4.839 -10.195 -13.431 1.00 0.00 O ATOM 753 CB GLN A 47 2.113 -8.951 -13.213 1.00 0.00 C ATOM 754 CG GLN A 47 2.371 -7.860 -14.260 1.00 0.00 C ATOM 755 CD GLN A 47 1.158 -7.665 -15.172 1.00 0.00 C ATOM 756 OE1 GLN A 47 0.564 -6.589 -15.211 1.00 0.00 O ATOM 757 NE2 GLN A 47 0.740 -8.682 -15.912 1.00 0.00 N ATOM 0 H GLN A 47 2.694 -7.125 -11.535 1.00 0.00 H new ATOM 0 HA GLN A 47 2.973 -10.026 -11.597 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.024 -9.908 -13.727 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.152 -8.753 -12.739 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.606 -6.921 -13.759 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.240 -8.128 -14.860 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.234 -9.574 -15.879 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.075 -8.573 -16.515 1.00 0.00 H new ATOM 766 N ALA A 48 5.608 -8.526 -12.157 1.00 0.00 N ATOM 767 CA ALA A 48 7.025 -8.863 -12.301 1.00 0.00 C ATOM 768 C ALA A 48 7.500 -9.811 -11.188 1.00 0.00 C ATOM 769 O ALA A 48 8.484 -10.530 -11.393 1.00 0.00 O ATOM 770 CB ALA A 48 7.873 -7.592 -12.320 1.00 0.00 C ATOM 0 H ALA A 48 5.445 -7.645 -11.670 1.00 0.00 H new ATOM 0 HA ALA A 48 7.147 -9.385 -13.250 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.925 -7.858 -12.428 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.570 -6.965 -13.158 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.730 -7.046 -11.388 1.00 0.00 H new ATOM 776 N GLY A 49 6.792 -9.874 -10.057 1.00 0.00 N ATOM 777 CA GLY A 49 6.930 -10.910 -9.038 1.00 0.00 C ATOM 778 C GLY A 49 7.708 -10.459 -7.802 1.00 0.00 C ATOM 779 O GLY A 49 8.580 -9.593 -7.868 1.00 0.00 O ATOM 0 H GLY A 49 6.083 -9.180 -9.821 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.937 -11.239 -8.731 1.00 0.00 H new ATOM 0 HA3 GLY A 49 7.431 -11.773 -9.476 1.00 0.00 H new ATOM 783 N GLY A 50 7.438 -11.106 -6.668 1.00 0.00 N ATOM 784 CA GLY A 50 8.096 -10.938 -5.376 1.00 0.00 C ATOM 785 C GLY A 50 7.424 -9.902 -4.473 1.00 0.00 C ATOM 786 O GLY A 50 7.701 -9.854 -3.271 1.00 0.00 O ATOM 0 H GLY A 50 6.701 -11.810 -6.627 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.115 -11.898 -4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.133 -10.645 -5.542 1.00 0.00 H new ATOM 790 N TYR A 51 6.528 -9.077 -5.008 1.00 0.00 N ATOM 791 CA TYR A 51 5.816 -8.055 -4.262 1.00 0.00 C ATOM 792 C TYR A 51 4.746 -8.740 -3.434 1.00 0.00 C ATOM 793 O TYR A 51 3.926 -9.494 -3.963 1.00 0.00 O ATOM 794 CB TYR A 51 5.231 -6.996 -5.206 1.00 0.00 C ATOM 795 CG TYR A 51 6.313 -6.307 -6.009 1.00 0.00 C ATOM 796 CD1 TYR A 51 6.820 -6.911 -7.173 1.00 0.00 C ATOM 797 CD2 TYR A 51 6.888 -5.115 -5.540 1.00 0.00 C ATOM 798 CE1 TYR A 51 7.913 -6.349 -7.850 1.00 0.00 C ATOM 799 CE2 TYR A 51 7.963 -4.530 -6.228 1.00 0.00 C ATOM 800 CZ TYR A 51 8.488 -5.153 -7.378 1.00 0.00 C ATOM 801 OH TYR A 51 9.524 -4.583 -8.039 1.00 0.00 O ATOM 0 H TYR A 51 6.274 -9.105 -5.996 1.00 0.00 H new ATOM 0 HA TYR A 51 6.497 -7.524 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.518 -7.466 -5.883 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.680 -6.255 -4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.364 -7.815 -7.549 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.502 -4.646 -4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.312 -6.832 -8.730 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.388 -3.602 -5.876 1.00 0.00 H new ATOM 0 HH TYR A 51 9.458 -4.792 -8.994 1.00 0.00 H new ATOM 811 N GLY A 52 4.783 -8.499 -2.128 1.00 0.00 N ATOM 812 CA GLY A 52 3.854 -9.074 -1.171 1.00 0.00 C ATOM 813 C GLY A 52 3.113 -8.009 -0.376 1.00 0.00 C ATOM 814 O GLY A 52 2.267 -8.360 0.437 1.00 0.00 O ATOM 0 H GLY A 52 5.476 -7.885 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.133 -9.699 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.398 -9.724 -0.485 1.00 0.00 H new ATOM 818 N PHE A 53 3.405 -6.726 -0.591 1.00 0.00 N ATOM 819 CA PHE A 53 2.681 -5.619 0.007 1.00 0.00 C ATOM 820 C PHE A 53 2.517 -4.533 -1.038 1.00 0.00 C ATOM 821 O PHE A 53 3.462 -4.266 -1.786 1.00 0.00 O ATOM 822 CB PHE A 53 3.421 -5.105 1.248 1.00 0.00 C ATOM 823 CG PHE A 53 2.757 -5.507 2.544 1.00 0.00 C ATOM 824 CD1 PHE A 53 3.021 -6.759 3.127 1.00 0.00 C ATOM 825 CD2 PHE A 53 1.885 -4.609 3.181 1.00 0.00 C ATOM 826 CE1 PHE A 53 2.451 -7.099 4.364 1.00 0.00 C ATOM 827 CE2 PHE A 53 1.334 -4.938 4.428 1.00 0.00 C ATOM 828 CZ PHE A 53 1.623 -6.178 5.026 1.00 0.00 C ATOM 0 H PHE A 53 4.168 -6.428 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 53 1.695 -5.945 0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.443 -5.485 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.484 -4.018 1.201 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.665 -7.462 2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.639 -3.668 2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 53 2.648 -8.065 4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.685 -4.236 4.931 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.209 -6.421 5.993 1.00 0.00 H new ATOM 838 N VAL A 54 1.326 -3.939 -1.088 1.00 0.00 N ATOM 839 CA VAL A 54 0.934 -3.007 -2.134 1.00 0.00 C ATOM 840 C VAL A 54 0.357 -1.792 -1.414 1.00 0.00 C ATOM 841 O VAL A 54 -0.847 -1.677 -1.194 1.00 0.00 O ATOM 842 CB VAL A 54 -0.045 -3.681 -3.118 1.00 0.00 C ATOM 843 CG1 VAL A 54 -0.067 -2.967 -4.473 1.00 0.00 C ATOM 844 CG2 VAL A 54 0.280 -5.146 -3.379 1.00 0.00 C ATOM 0 H VAL A 54 0.598 -4.097 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 54 1.771 -2.691 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.017 -3.612 -2.630 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.768 -3.471 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.379 -1.932 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.930 -2.989 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.446 -5.561 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.281 -5.227 -3.804 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.238 -5.701 -2.442 1.00 0.00 H new ATOM 854 N ILE A 55 1.246 -0.937 -0.928 1.00 0.00 N ATOM 855 CA ILE A 55 0.914 0.262 -0.187 1.00 0.00 C ATOM 856 C ILE A 55 0.879 1.381 -1.225 1.00 0.00 C ATOM 857 O ILE A 55 1.822 1.496 -2.014 1.00 0.00 O ATOM 858 CB ILE A 55 1.897 0.431 1.004 1.00 0.00 C ATOM 859 CG1 ILE A 55 2.159 -0.937 1.698 1.00 0.00 C ATOM 860 CG2 ILE A 55 1.369 1.470 1.995 1.00 0.00 C ATOM 861 CD1 ILE A 55 2.994 -0.912 2.979 1.00 0.00 C ATOM 0 H ILE A 55 2.251 -1.068 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.058 0.246 0.305 1.00 0.00 H new ATOM 0 HB ILE A 55 2.850 0.794 0.619 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.195 -1.390 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.655 -1.592 0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.071 1.574 2.822 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.257 2.430 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.401 1.147 2.379 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.103 -1.927 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.979 -0.498 2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.496 -0.294 3.726 1.00 0.00 H new ATOM 873 N SER A 56 -0.217 2.135 -1.311 1.00 0.00 N ATOM 874 CA SER A 56 -0.322 3.196 -2.297 1.00 0.00 C ATOM 875 C SER A 56 -1.125 4.367 -1.753 1.00 0.00 C ATOM 876 O SER A 56 -1.879 4.224 -0.790 1.00 0.00 O ATOM 877 CB SER A 56 -0.919 2.639 -3.599 1.00 0.00 C ATOM 878 OG SER A 56 -2.294 2.315 -3.497 1.00 0.00 O ATOM 0 H SER A 56 -1.036 2.028 -0.712 1.00 0.00 H new ATOM 0 HA SER A 56 0.674 3.577 -2.521 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.785 3.373 -4.394 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.364 1.747 -3.891 1.00 0.00 H new ATOM 0 HG SER A 56 -2.821 3.139 -3.437 1.00 0.00 H new ATOM 884 N ASP A 57 -1.029 5.504 -2.437 1.00 0.00 N ATOM 885 CA ASP A 57 -2.000 6.577 -2.308 1.00 0.00 C ATOM 886 C ASP A 57 -3.357 6.128 -2.837 1.00 0.00 C ATOM 887 O ASP A 57 -3.532 5.011 -3.344 1.00 0.00 O ATOM 888 CB ASP A 57 -1.564 7.818 -3.102 1.00 0.00 C ATOM 889 CG ASP A 57 -1.876 9.114 -2.355 1.00 0.00 C ATOM 890 OD1 ASP A 57 -3.073 9.474 -2.202 1.00 0.00 O ATOM 891 OD2 ASP A 57 -0.927 9.784 -1.894 1.00 0.00 O ATOM 0 H ASP A 57 -0.275 5.703 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.069 6.827 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.494 7.763 -3.302 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.068 7.826 -4.068 1.00 0.00 H new ATOM 896 N TRP A 58 -4.311 7.046 -2.753 1.00 0.00 N ATOM 897 CA TRP A 58 -5.486 7.020 -3.575 1.00 0.00 C ATOM 898 C TRP A 58 -5.186 7.806 -4.850 1.00 0.00 C ATOM 899 O TRP A 58 -5.501 7.335 -5.936 1.00 0.00 O ATOM 900 CB TRP A 58 -6.667 7.625 -2.820 1.00 0.00 C ATOM 901 CG TRP A 58 -7.979 7.351 -3.478 1.00 0.00 C ATOM 902 CD1 TRP A 58 -8.361 7.769 -4.703 1.00 0.00 C ATOM 903 CD2 TRP A 58 -9.055 6.506 -2.999 1.00 0.00 C ATOM 904 NE1 TRP A 58 -9.615 7.281 -4.997 1.00 0.00 N ATOM 905 CE2 TRP A 58 -10.100 6.508 -3.971 1.00 0.00 C ATOM 906 CE3 TRP A 58 -9.253 5.746 -1.832 1.00 0.00 C ATOM 907 CZ2 TRP A 58 -11.307 5.825 -3.777 1.00 0.00 C ATOM 908 CZ3 TRP A 58 -10.445 5.036 -1.638 1.00 0.00 C ATOM 909 CH2 TRP A 58 -11.469 5.092 -2.595 1.00 0.00 C ATOM 0 H TRP A 58 -4.279 7.831 -2.103 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.753 5.995 -3.832 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -6.685 7.227 -1.805 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -6.526 8.703 -2.738 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -7.770 8.394 -5.356 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.118 7.469 -5.864 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -8.480 5.710 -1.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -12.091 5.863 -4.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -10.576 4.442 -0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -12.394 4.563 -2.418 1.00 0.00 H new ATOM 920 N ASN A 59 -4.653 9.033 -4.750 1.00 0.00 N ATOM 921 CA ASN A 59 -4.482 9.892 -5.924 1.00 0.00 C ATOM 922 C ASN A 59 -3.350 9.354 -6.796 1.00 0.00 C ATOM 923 O ASN A 59 -2.285 9.035 -6.282 1.00 0.00 O ATOM 924 CB ASN A 59 -4.142 11.345 -5.543 1.00 0.00 C ATOM 925 CG ASN A 59 -5.219 12.129 -4.804 1.00 0.00 C ATOM 926 OD1 ASN A 59 -4.897 13.024 -4.028 1.00 0.00 O ATOM 927 ND2 ASN A 59 -6.503 11.882 -5.022 1.00 0.00 N ATOM 0 H ASN A 59 -4.336 9.448 -3.874 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.431 9.887 -6.460 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.245 11.333 -4.924 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.893 11.887 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.217 12.434 -4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.777 11.140 -5.666 1.00 0.00 H new ATOM 934 N MET A 60 -3.538 9.342 -8.114 1.00 0.00 N ATOM 935 CA MET A 60 -2.482 9.083 -9.090 1.00 0.00 C ATOM 936 C MET A 60 -2.763 9.893 -10.357 1.00 0.00 C ATOM 937 O MET A 60 -3.878 10.393 -10.530 1.00 0.00 O ATOM 938 CB MET A 60 -2.432 7.584 -9.431 1.00 0.00 C ATOM 939 CG MET A 60 -1.655 6.764 -8.398 1.00 0.00 C ATOM 940 SD MET A 60 -2.657 5.970 -7.124 1.00 0.00 S ATOM 941 CE MET A 60 -1.334 5.580 -5.970 1.00 0.00 C ATOM 0 H MET A 60 -4.447 9.516 -8.542 1.00 0.00 H new ATOM 0 HA MET A 60 -1.520 9.378 -8.670 1.00 0.00 H new ATOM 0 HB2 MET A 60 -3.449 7.199 -9.503 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.972 7.454 -10.411 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.088 5.994 -8.922 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.931 7.417 -7.911 1.00 0.00 H new ATOM 0 HE1 MET A 60 -1.762 5.291 -5.010 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.738 4.757 -6.364 1.00 0.00 H new ATOM 0 HE3 MET A 60 -0.699 6.455 -5.836 1.00 0.00 H new ATOM 951 N PRO A 61 -1.803 10.011 -11.286 1.00 0.00 N ATOM 952 CA PRO A 61 -2.049 10.625 -12.583 1.00 0.00 C ATOM 953 C PRO A 61 -2.982 9.790 -13.474 1.00 0.00 C ATOM 954 O PRO A 61 -3.611 10.363 -14.362 1.00 0.00 O ATOM 955 CB PRO A 61 -0.667 10.820 -13.212 1.00 0.00 C ATOM 956 CG PRO A 61 0.199 9.760 -12.529 1.00 0.00 C ATOM 957 CD PRO A 61 -0.390 9.708 -11.125 1.00 0.00 C ATOM 0 HA PRO A 61 -2.575 11.573 -12.470 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -0.696 10.677 -14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -0.284 11.825 -13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 61 0.133 8.796 -13.033 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.252 10.042 -12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.248 8.725 -10.676 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.094 10.431 -10.469 1.00 0.00 H new ATOM 965 N ASN A 62 -3.115 8.471 -13.270 1.00 0.00 N ATOM 966 CA ASN A 62 -4.040 7.641 -14.046 1.00 0.00 C ATOM 967 C ASN A 62 -4.748 6.630 -13.156 1.00 0.00 C ATOM 968 O ASN A 62 -5.891 6.874 -12.758 1.00 0.00 O ATOM 969 CB ASN A 62 -3.343 6.953 -15.233 1.00 0.00 C ATOM 970 CG ASN A 62 -3.202 7.882 -16.428 1.00 0.00 C ATOM 971 OD1 ASN A 62 -4.197 8.310 -17.008 1.00 0.00 O ATOM 972 ND2 ASN A 62 -1.987 8.174 -16.857 1.00 0.00 N ATOM 0 H ASN A 62 -2.587 7.955 -12.566 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.795 8.306 -14.465 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.356 6.608 -14.924 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.912 6.070 -15.525 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.865 8.763 -17.681 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.171 7.811 -16.364 1.00 0.00 H new ATOM 979 N MET A 63 -4.112 5.490 -12.875 1.00 0.00 N ATOM 980 CA MET A 63 -4.713 4.418 -12.089 1.00 0.00 C ATOM 981 C MET A 63 -4.634 4.827 -10.626 1.00 0.00 C ATOM 982 O MET A 63 -3.584 4.670 -10.008 1.00 0.00 O ATOM 983 CB MET A 63 -4.014 3.080 -12.376 1.00 0.00 C ATOM 984 CG MET A 63 -4.578 1.929 -11.533 1.00 0.00 C ATOM 985 SD MET A 63 -3.843 0.304 -11.873 1.00 0.00 S ATOM 986 CE MET A 63 -4.662 -0.137 -13.428 1.00 0.00 C ATOM 0 H MET A 63 -3.163 5.287 -13.189 1.00 0.00 H new ATOM 0 HA MET A 63 -5.758 4.267 -12.358 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.121 2.838 -13.433 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.947 3.182 -12.178 1.00 0.00 H new ATOM 0 HG2 MET A 63 -4.432 2.164 -10.479 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.653 1.868 -11.700 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.310 -1.113 -13.761 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.740 -0.174 -13.274 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.429 0.610 -14.187 1.00 0.00 H new ATOM 996 N ASP A 64 -5.726 5.403 -10.120 1.00 0.00 N ATOM 997 CA ASP A 64 -5.919 5.693 -8.702 1.00 0.00 C ATOM 998 C ASP A 64 -5.888 4.399 -7.886 1.00 0.00 C ATOM 999 O ASP A 64 -6.076 3.305 -8.425 1.00 0.00 O ATOM 1000 CB ASP A 64 -7.225 6.477 -8.489 1.00 0.00 C ATOM 1001 CG ASP A 64 -8.492 5.654 -8.678 1.00 0.00 C ATOM 1002 OD1 ASP A 64 -8.850 4.840 -7.798 1.00 0.00 O ATOM 1003 OD2 ASP A 64 -9.204 5.915 -9.676 1.00 0.00 O ATOM 0 H ASP A 64 -6.517 5.686 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.100 6.321 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.224 6.893 -7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.246 7.318 -9.182 1.00 0.00 H new ATOM 1008 N GLY A 65 -5.663 4.519 -6.578 1.00 0.00 N ATOM 1009 CA GLY A 65 -5.447 3.385 -5.690 1.00 0.00 C ATOM 1010 C GLY A 65 -6.644 2.440 -5.634 1.00 0.00 C ATOM 1011 O GLY A 65 -6.467 1.235 -5.445 1.00 0.00 O ATOM 0 H GLY A 65 -5.626 5.420 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.569 2.832 -6.022 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.232 3.751 -4.686 1.00 0.00 H new ATOM 1015 N LEU A 66 -7.866 2.951 -5.820 1.00 0.00 N ATOM 1016 CA LEU A 66 -9.056 2.111 -5.836 1.00 0.00 C ATOM 1017 C LEU A 66 -9.095 1.299 -7.118 1.00 0.00 C ATOM 1018 O LEU A 66 -9.438 0.121 -7.073 1.00 0.00 O ATOM 1019 CB LEU A 66 -10.339 2.952 -5.664 1.00 0.00 C ATOM 1020 CG LEU A 66 -11.316 2.377 -4.639 1.00 0.00 C ATOM 1021 CD1 LEU A 66 -11.979 1.077 -5.096 1.00 0.00 C ATOM 1022 CD2 LEU A 66 -10.630 2.187 -3.284 1.00 0.00 C ATOM 0 H LEU A 66 -8.051 3.944 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.009 1.424 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.063 3.963 -5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -10.842 3.033 -6.628 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.117 3.109 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.660 0.724 -4.321 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -12.537 1.257 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -11.214 0.323 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -11.343 1.777 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.791 1.500 -3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.266 3.149 -2.922 1.00 0.00 H new ATOM 1034 N GLU A 67 -8.716 1.892 -8.248 1.00 0.00 N ATOM 1035 CA GLU A 67 -8.582 1.169 -9.502 1.00 0.00 C ATOM 1036 C GLU A 67 -7.435 0.163 -9.417 1.00 0.00 C ATOM 1037 O GLU A 67 -7.587 -0.942 -9.928 1.00 0.00 O ATOM 1038 CB GLU A 67 -8.407 2.134 -10.682 1.00 0.00 C ATOM 1039 CG GLU A 67 -9.655 2.993 -10.925 1.00 0.00 C ATOM 1040 CD GLU A 67 -10.826 2.212 -11.520 1.00 0.00 C ATOM 1041 OE1 GLU A 67 -11.562 1.520 -10.775 1.00 0.00 O ATOM 1042 OE2 GLU A 67 -11.058 2.323 -12.747 1.00 0.00 O ATOM 0 H GLU A 67 -8.494 2.885 -8.316 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.502 0.612 -9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.553 2.784 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.180 1.564 -11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.968 3.440 -9.981 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.397 3.813 -11.595 1.00 0.00 H new ATOM 1049 N LEU A 68 -6.321 0.477 -8.746 1.00 0.00 N ATOM 1050 CA LEU A 68 -5.228 -0.471 -8.515 1.00 0.00 C ATOM 1051 C LEU A 68 -5.751 -1.681 -7.739 1.00 0.00 C ATOM 1052 O LEU A 68 -5.634 -2.806 -8.221 1.00 0.00 O ATOM 1053 CB LEU A 68 -4.051 0.226 -7.808 1.00 0.00 C ATOM 1054 CG LEU A 68 -2.862 -0.703 -7.483 1.00 0.00 C ATOM 1055 CD1 LEU A 68 -2.195 -1.289 -8.737 1.00 0.00 C ATOM 1056 CD2 LEU A 68 -1.819 0.073 -6.671 1.00 0.00 C ATOM 0 H LEU A 68 -6.153 1.400 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.846 -0.835 -9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.697 1.042 -8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.412 0.672 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.259 -1.541 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.367 -1.933 -8.441 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.925 -1.872 -9.299 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.819 -0.479 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.978 -0.581 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.467 0.926 -7.251 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.269 0.426 -5.743 1.00 0.00 H new ATOM 1068 N LEU A 69 -6.394 -1.465 -6.585 1.00 0.00 N ATOM 1069 CA LEU A 69 -7.076 -2.507 -5.808 1.00 0.00 C ATOM 1070 C LEU A 69 -8.035 -3.297 -6.692 1.00 0.00 C ATOM 1071 O LEU A 69 -8.003 -4.524 -6.692 1.00 0.00 O ATOM 1072 CB LEU A 69 -7.807 -1.871 -4.610 1.00 0.00 C ATOM 1073 CG LEU A 69 -9.045 -2.610 -4.051 1.00 0.00 C ATOM 1074 CD1 LEU A 69 -8.873 -4.067 -3.607 1.00 0.00 C ATOM 1075 CD2 LEU A 69 -9.509 -1.841 -2.818 1.00 0.00 C ATOM 0 H LEU A 69 -6.456 -0.541 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.335 -3.208 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.088 -1.759 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.118 -0.867 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.739 -2.646 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.825 -4.450 -3.239 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.543 -4.669 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.129 -4.120 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.384 -2.331 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.708 -1.821 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.767 -0.821 -3.101 1.00 0.00 H new ATOM 1087 N LYS A 70 -8.918 -2.621 -7.423 1.00 0.00 N ATOM 1088 CA LYS A 70 -9.938 -3.286 -8.220 1.00 0.00 C ATOM 1089 C LYS A 70 -9.342 -4.044 -9.401 1.00 0.00 C ATOM 1090 O LYS A 70 -9.961 -5.016 -9.838 1.00 0.00 O ATOM 1091 CB LYS A 70 -10.985 -2.267 -8.675 1.00 0.00 C ATOM 1092 CG LYS A 70 -11.963 -1.966 -7.531 1.00 0.00 C ATOM 1093 CD LYS A 70 -13.124 -1.091 -8.021 1.00 0.00 C ATOM 1094 CE LYS A 70 -14.325 -1.258 -7.080 1.00 0.00 C ATOM 1095 NZ LYS A 70 -15.604 -0.926 -7.734 1.00 0.00 N ATOM 0 H LYS A 70 -8.945 -1.603 -7.478 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.425 -4.033 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.494 -1.348 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.529 -2.654 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.352 -2.900 -7.124 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.437 -1.460 -6.721 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.817 -0.046 -8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.402 -1.373 -9.036 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.361 -2.286 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.190 -0.619 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.383 -1.055 -7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.583 0.063 -8.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.749 -1.552 -8.552 1.00 0.00 H new ATOM 1109 N THR A 71 -8.171 -3.657 -9.890 1.00 0.00 N ATOM 1110 CA THR A 71 -7.417 -4.430 -10.857 1.00 0.00 C ATOM 1111 C THR A 71 -6.855 -5.663 -10.154 1.00 0.00 C ATOM 1112 O THR A 71 -7.096 -6.766 -10.622 1.00 0.00 O ATOM 1113 CB THR A 71 -6.334 -3.555 -11.505 1.00 0.00 C ATOM 1114 OG1 THR A 71 -6.910 -2.367 -12.012 1.00 0.00 O ATOM 1115 CG2 THR A 71 -5.682 -4.261 -12.693 1.00 0.00 C ATOM 0 H THR A 71 -7.716 -2.785 -9.620 1.00 0.00 H new ATOM 0 HA THR A 71 -8.056 -4.771 -11.672 1.00 0.00 H new ATOM 0 HB THR A 71 -5.593 -3.348 -10.733 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.141 -1.772 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.921 -3.614 -13.128 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.220 -5.189 -12.356 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.440 -4.485 -13.444 1.00 0.00 H new ATOM 1123 N ILE A 72 -6.190 -5.504 -9.002 1.00 0.00 N ATOM 1124 CA ILE A 72 -5.556 -6.580 -8.229 1.00 0.00 C ATOM 1125 C ILE A 72 -6.632 -7.618 -7.858 1.00 0.00 C ATOM 1126 O ILE A 72 -6.378 -8.818 -7.812 1.00 0.00 O ATOM 1127 CB ILE A 72 -4.896 -5.942 -6.979 1.00 0.00 C ATOM 1128 CG1 ILE A 72 -3.572 -5.296 -7.424 1.00 0.00 C ATOM 1129 CG2 ILE A 72 -4.534 -6.952 -5.862 1.00 0.00 C ATOM 1130 CD1 ILE A 72 -3.027 -4.312 -6.382 1.00 0.00 C ATOM 0 H ILE A 72 -6.075 -4.589 -8.567 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.784 -7.095 -8.800 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.624 -5.241 -6.572 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.833 -6.076 -7.606 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.724 -4.774 -8.369 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -4.078 -6.422 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -5.438 -7.457 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.831 -7.689 -6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.092 -3.882 -6.741 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.753 -3.516 -6.219 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.848 -4.838 -5.444 1.00 0.00 H new ATOM 1142 N ARG A 73 -7.874 -7.182 -7.651 1.00 0.00 N ATOM 1143 CA ARG A 73 -9.040 -8.021 -7.382 1.00 0.00 C ATOM 1144 C ARG A 73 -9.318 -9.033 -8.507 1.00 0.00 C ATOM 1145 O ARG A 73 -10.054 -10.002 -8.295 1.00 0.00 O ATOM 1146 CB ARG A 73 -10.234 -7.074 -7.183 1.00 0.00 C ATOM 1147 CG ARG A 73 -11.349 -7.679 -6.337 1.00 0.00 C ATOM 1148 CD ARG A 73 -12.433 -6.614 -6.112 1.00 0.00 C ATOM 1149 NE ARG A 73 -13.441 -7.094 -5.165 1.00 0.00 N ATOM 1150 CZ ARG A 73 -14.280 -8.113 -5.368 1.00 0.00 C ATOM 1151 NH1 ARG A 73 -14.475 -8.621 -6.587 1.00 0.00 N ATOM 1152 NH2 ARG A 73 -14.896 -8.638 -4.321 1.00 0.00 N ATOM 0 H ARG A 73 -8.105 -6.189 -7.667 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.859 -8.624 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.886 -6.156 -6.710 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.636 -6.798 -8.158 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.773 -8.549 -6.838 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.953 -8.023 -5.381 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.978 -5.699 -5.733 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -12.908 -6.365 -7.061 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.508 -6.607 -4.271 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.978 -8.231 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.121 -9.400 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.725 -8.264 -3.388 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.542 -9.417 -4.447 1.00 0.00 H new ATOM 1166 N ALA A 74 -8.797 -8.789 -9.709 1.00 0.00 N ATOM 1167 CA ALA A 74 -9.199 -9.367 -10.970 1.00 0.00 C ATOM 1168 C ALA A 74 -8.025 -9.402 -11.957 1.00 0.00 C ATOM 1169 O ALA A 74 -8.178 -9.009 -13.115 1.00 0.00 O ATOM 1170 CB ALA A 74 -10.348 -8.495 -11.474 1.00 0.00 C ATOM 0 H ALA A 74 -8.026 -8.131 -9.824 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.518 -10.404 -10.861 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.703 -8.878 -12.431 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.163 -8.514 -10.751 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.999 -7.470 -11.600 1.00 0.00 H new ATOM 1176 N ASP A 75 -6.850 -9.832 -11.503 1.00 0.00 N ATOM 1177 CA ASP A 75 -5.608 -9.861 -12.290 1.00 0.00 C ATOM 1178 C ASP A 75 -4.957 -11.246 -12.271 1.00 0.00 C ATOM 1179 O ASP A 75 -5.674 -12.247 -12.178 1.00 0.00 O ATOM 1180 CB ASP A 75 -4.672 -8.698 -11.922 1.00 0.00 C ATOM 1181 CG ASP A 75 -3.956 -8.907 -10.598 1.00 0.00 C ATOM 1182 OD1 ASP A 75 -4.274 -9.909 -9.909 1.00 0.00 O ATOM 1183 OD2 ASP A 75 -3.064 -8.091 -10.300 1.00 0.00 O ATOM 0 H ASP A 75 -6.726 -10.180 -10.552 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.860 -9.690 -13.337 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.932 -8.570 -12.712 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.250 -7.775 -11.874 1.00 0.00 H new ATOM 1188 N GLY A 76 -3.631 -11.325 -12.425 1.00 0.00 N ATOM 1189 CA GLY A 76 -2.766 -12.490 -12.340 1.00 0.00 C ATOM 1190 C GLY A 76 -2.732 -13.098 -10.939 1.00 0.00 C ATOM 1191 O GLY A 76 -1.663 -13.346 -10.381 1.00 0.00 O ATOM 0 H GLY A 76 -3.090 -10.486 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.107 -13.243 -13.050 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.755 -12.209 -12.634 1.00 0.00 H new ATOM 1195 N ALA A 77 -3.912 -13.364 -10.393 1.00 0.00 N ATOM 1196 CA ALA A 77 -4.191 -13.953 -9.096 1.00 0.00 C ATOM 1197 C ALA A 77 -3.653 -13.114 -7.933 1.00 0.00 C ATOM 1198 O ALA A 77 -3.498 -13.642 -6.828 1.00 0.00 O ATOM 1199 CB ALA A 77 -3.719 -15.414 -9.076 1.00 0.00 C ATOM 0 H ALA A 77 -4.774 -13.152 -10.895 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.270 -13.956 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.931 -15.851 -8.100 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.244 -15.977 -9.848 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.646 -15.452 -9.266 1.00 0.00 H new ATOM 1205 N MET A 78 -3.391 -11.819 -8.135 1.00 0.00 N ATOM 1206 CA MET A 78 -2.867 -10.972 -7.062 1.00 0.00 C ATOM 1207 C MET A 78 -3.902 -10.658 -5.983 1.00 0.00 C ATOM 1208 O MET A 78 -3.529 -10.024 -5.004 1.00 0.00 O ATOM 1209 CB MET A 78 -2.263 -9.677 -7.611 1.00 0.00 C ATOM 1210 CG MET A 78 -1.191 -9.911 -8.678 1.00 0.00 C ATOM 1211 SD MET A 78 0.287 -10.779 -8.100 1.00 0.00 S ATOM 1212 CE MET A 78 1.075 -11.052 -9.707 1.00 0.00 C ATOM 0 H MET A 78 -3.532 -11.339 -9.024 1.00 0.00 H new ATOM 0 HA MET A 78 -2.078 -11.555 -6.587 1.00 0.00 H new ATOM 0 HB2 MET A 78 -3.059 -9.064 -8.034 1.00 0.00 H new ATOM 0 HB3 MET A 78 -1.828 -9.110 -6.788 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.632 -10.481 -9.496 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.891 -8.946 -9.087 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.112 -11.351 -9.557 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.544 -11.838 -10.244 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.043 -10.131 -10.289 1.00 0.00 H new ATOM 1222 N SER A 79 -5.163 -11.096 -6.094 1.00 0.00 N ATOM 1223 CA SER A 79 -6.255 -10.582 -5.267 1.00 0.00 C ATOM 1224 C SER A 79 -6.009 -10.725 -3.755 1.00 0.00 C ATOM 1225 O SER A 79 -6.547 -9.949 -2.963 1.00 0.00 O ATOM 1226 CB SER A 79 -7.595 -11.205 -5.675 1.00 0.00 C ATOM 1227 OG SER A 79 -7.672 -12.581 -5.343 1.00 0.00 O ATOM 0 H SER A 79 -5.451 -11.814 -6.758 1.00 0.00 H new ATOM 0 HA SER A 79 -6.296 -9.510 -5.458 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.407 -10.669 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.737 -11.084 -6.749 1.00 0.00 H new ATOM 0 HG SER A 79 -8.543 -12.936 -5.619 1.00 0.00 H new ATOM 1233 N ALA A 80 -5.195 -11.702 -3.335 1.00 0.00 N ATOM 1234 CA ALA A 80 -4.835 -11.918 -1.939 1.00 0.00 C ATOM 1235 C ALA A 80 -3.962 -10.799 -1.356 1.00 0.00 C ATOM 1236 O ALA A 80 -3.858 -10.691 -0.133 1.00 0.00 O ATOM 1237 CB ALA A 80 -4.108 -13.259 -1.809 1.00 0.00 C ATOM 0 H ALA A 80 -4.764 -12.373 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.762 -11.920 -1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.836 -13.426 -0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.763 -14.062 -2.146 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.206 -13.245 -2.421 1.00 0.00 H new ATOM 1243 N LEU A 81 -3.311 -9.986 -2.193 1.00 0.00 N ATOM 1244 CA LEU A 81 -2.327 -8.991 -1.781 1.00 0.00 C ATOM 1245 C LEU A 81 -2.924 -8.018 -0.758 1.00 0.00 C ATOM 1246 O LEU A 81 -4.067 -7.589 -0.948 1.00 0.00 O ATOM 1247 CB LEU A 81 -1.825 -8.209 -3.014 1.00 0.00 C ATOM 1248 CG LEU A 81 -0.612 -8.837 -3.725 1.00 0.00 C ATOM 1249 CD1 LEU A 81 -0.243 -8.050 -4.994 1.00 0.00 C ATOM 1250 CD2 LEU A 81 0.615 -8.864 -2.806 1.00 0.00 C ATOM 0 H LEU A 81 -3.461 -10.005 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.491 -9.511 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.643 -8.121 -3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.563 -7.197 -2.704 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.897 -9.855 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.617 -8.517 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.088 -8.052 -5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.005 -7.023 -4.726 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.456 -9.313 -3.335 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.872 -7.846 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.390 -9.452 -1.916 1.00 0.00 H new ATOM 1262 N PRO A 82 -2.184 -7.637 0.299 1.00 0.00 N ATOM 1263 CA PRO A 82 -2.576 -6.559 1.185 1.00 0.00 C ATOM 1264 C PRO A 82 -2.407 -5.232 0.436 1.00 0.00 C ATOM 1265 O PRO A 82 -1.290 -4.727 0.281 1.00 0.00 O ATOM 1266 CB PRO A 82 -1.700 -6.686 2.432 1.00 0.00 C ATOM 1267 CG PRO A 82 -0.424 -7.308 1.885 1.00 0.00 C ATOM 1268 CD PRO A 82 -0.898 -8.171 0.713 1.00 0.00 C ATOM 0 HA PRO A 82 -3.620 -6.601 1.496 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.512 -5.717 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.165 -7.316 3.190 1.00 0.00 H new ATOM 0 HG2 PRO A 82 0.282 -6.545 1.557 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.083 -7.907 2.641 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.182 -8.137 -0.108 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.990 -9.215 1.013 1.00 0.00 H new ATOM 1276 N VAL A 83 -3.521 -4.710 -0.065 1.00 0.00 N ATOM 1277 CA VAL A 83 -3.637 -3.419 -0.719 1.00 0.00 C ATOM 1278 C VAL A 83 -4.025 -2.416 0.363 1.00 0.00 C ATOM 1279 O VAL A 83 -5.106 -2.521 0.958 1.00 0.00 O ATOM 1280 CB VAL A 83 -4.633 -3.476 -1.892 1.00 0.00 C ATOM 1281 CG1 VAL A 83 -3.983 -4.110 -3.126 1.00 0.00 C ATOM 1282 CG2 VAL A 83 -5.921 -4.244 -1.580 1.00 0.00 C ATOM 0 H VAL A 83 -4.412 -5.205 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.696 -3.111 -1.175 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.905 -2.438 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.705 -4.140 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.119 -3.518 -3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.662 -5.124 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.569 -4.238 -2.456 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.676 -5.273 -1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.435 -3.768 -0.745 1.00 0.00 H new ATOM 1292 N LEU A 84 -3.115 -1.502 0.686 1.00 0.00 N ATOM 1293 CA LEU A 84 -3.212 -0.631 1.845 1.00 0.00 C ATOM 1294 C LEU A 84 -3.211 0.818 1.373 1.00 0.00 C ATOM 1295 O LEU A 84 -2.211 1.305 0.848 1.00 0.00 O ATOM 1296 CB LEU A 84 -2.073 -0.958 2.819 1.00 0.00 C ATOM 1297 CG LEU A 84 -2.028 -0.033 4.049 1.00 0.00 C ATOM 1298 CD1 LEU A 84 -3.358 0.044 4.808 1.00 0.00 C ATOM 1299 CD2 LEU A 84 -0.932 -0.520 4.995 1.00 0.00 C ATOM 0 H LEU A 84 -2.272 -1.345 0.134 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.143 -0.790 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.178 -1.990 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.123 -0.891 2.289 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.821 0.973 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.252 0.713 5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.134 0.424 4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.635 -0.950 5.159 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.892 0.129 5.870 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.150 -1.541 5.310 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.029 -0.496 4.481 1.00 0.00 H new ATOM 1311 N MET A 85 -4.355 1.475 1.551 1.00 0.00 N ATOM 1312 CA MET A 85 -4.569 2.862 1.165 1.00 0.00 C ATOM 1313 C MET A 85 -3.856 3.729 2.205 1.00 0.00 C ATOM 1314 O MET A 85 -4.220 3.667 3.380 1.00 0.00 O ATOM 1315 CB MET A 85 -6.084 3.163 1.125 1.00 0.00 C ATOM 1316 CG MET A 85 -6.901 2.205 0.241 1.00 0.00 C ATOM 1317 SD MET A 85 -6.637 2.427 -1.536 1.00 0.00 S ATOM 1318 CE MET A 85 -7.398 0.896 -2.115 1.00 0.00 C ATOM 0 H MET A 85 -5.176 1.045 1.978 1.00 0.00 H new ATOM 0 HA MET A 85 -4.172 3.069 0.171 1.00 0.00 H new ATOM 0 HB2 MET A 85 -6.476 3.123 2.141 1.00 0.00 H new ATOM 0 HB3 MET A 85 -6.230 4.182 0.766 1.00 0.00 H new ATOM 0 HG2 MET A 85 -6.650 1.179 0.509 1.00 0.00 H new ATOM 0 HG3 MET A 85 -7.960 2.341 0.459 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.560 0.955 -3.191 1.00 0.00 H new ATOM 0 HE2 MET A 85 -6.740 0.056 -1.892 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.354 0.752 -1.612 1.00 0.00 H new ATOM 1328 N VAL A 86 -2.852 4.515 1.820 1.00 0.00 N ATOM 1329 CA VAL A 86 -2.124 5.437 2.686 1.00 0.00 C ATOM 1330 C VAL A 86 -2.089 6.767 1.952 1.00 0.00 C ATOM 1331 O VAL A 86 -1.400 6.908 0.950 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.712 4.909 3.025 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -0.004 5.836 4.020 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.760 3.503 3.628 1.00 0.00 C ATOM 0 H VAL A 86 -2.511 4.526 0.859 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.618 5.548 3.652 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.160 4.877 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.988 5.442 4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.090 6.832 3.586 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.586 5.894 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 86 0.253 3.168 3.852 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.348 3.521 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.219 2.817 2.916 1.00 0.00 H new ATOM 1344 N THR A 87 -2.911 7.719 2.383 1.00 0.00 N ATOM 1345 CA THR A 87 -3.214 8.888 1.576 1.00 0.00 C ATOM 1346 C THR A 87 -3.487 10.089 2.487 1.00 0.00 C ATOM 1347 O THR A 87 -3.537 9.976 3.717 1.00 0.00 O ATOM 1348 CB THR A 87 -4.380 8.496 0.637 1.00 0.00 C ATOM 1349 OG1 THR A 87 -4.751 9.557 -0.217 1.00 0.00 O ATOM 1350 CG2 THR A 87 -5.628 8.015 1.389 1.00 0.00 C ATOM 0 H THR A 87 -3.378 7.700 3.289 1.00 0.00 H new ATOM 0 HA THR A 87 -2.380 9.204 0.949 1.00 0.00 H new ATOM 0 HB THR A 87 -3.993 7.666 0.046 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.983 9.819 -0.766 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.407 7.756 0.672 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.378 7.138 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.987 8.809 2.044 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.662 11.269 1.897 1.00 0.00 N ATOM 1359 CA ALA A 88 -4.289 12.405 2.554 1.00 0.00 C ATOM 1360 C ALA A 88 -5.811 12.400 2.390 1.00 0.00 C ATOM 1361 O ALA A 88 -6.508 13.140 3.085 1.00 0.00 O ATOM 1362 CB ALA A 88 -3.709 13.686 1.963 1.00 0.00 C ATOM 0 H ALA A 88 -3.368 11.462 0.939 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.083 12.342 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.168 14.549 2.444 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.632 13.708 2.129 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.912 13.717 0.892 1.00 0.00 H new ATOM 1368 N GLU A 89 -6.319 11.581 1.473 1.00 0.00 N ATOM 1369 CA GLU A 89 -7.715 11.508 1.102 1.00 0.00 C ATOM 1370 C GLU A 89 -8.446 10.678 2.155 1.00 0.00 C ATOM 1371 O GLU A 89 -8.420 9.449 2.091 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.816 10.885 -0.305 1.00 0.00 C ATOM 1373 CG GLU A 89 -7.090 11.704 -1.394 1.00 0.00 C ATOM 1374 CD GLU A 89 -8.012 12.743 -2.021 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -8.186 13.841 -1.442 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -8.607 12.441 -3.084 1.00 0.00 O ATOM 0 H GLU A 89 -5.738 10.925 0.950 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.178 12.494 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.398 9.879 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -8.867 10.787 -0.576 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -6.223 12.201 -0.959 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.718 11.033 -2.168 1.00 0.00 H new ATOM 1383 N ALA A 90 -9.075 11.326 3.137 1.00 0.00 N ATOM 1384 CA ALA A 90 -10.091 10.691 3.964 1.00 0.00 C ATOM 1385 C ALA A 90 -11.266 10.370 3.035 1.00 0.00 C ATOM 1386 O ALA A 90 -11.251 9.340 2.378 1.00 0.00 O ATOM 1387 CB ALA A 90 -10.512 11.597 5.130 1.00 0.00 C ATOM 0 H ALA A 90 -8.893 12.300 3.377 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.709 9.781 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.272 11.092 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.645 11.814 5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.919 12.529 4.738 1.00 0.00 H new ATOM 1393 N LYS A 91 -12.240 11.285 2.923 1.00 0.00 N ATOM 1394 CA LYS A 91 -13.496 11.138 2.191 1.00 0.00 C ATOM 1395 C LYS A 91 -14.217 9.850 2.588 1.00 0.00 C ATOM 1396 O LYS A 91 -13.919 8.770 2.093 1.00 0.00 O ATOM 1397 CB LYS A 91 -13.241 11.313 0.683 1.00 0.00 C ATOM 1398 CG LYS A 91 -14.509 11.186 -0.178 1.00 0.00 C ATOM 1399 CD LYS A 91 -14.207 11.593 -1.626 1.00 0.00 C ATOM 1400 CE LYS A 91 -15.459 11.652 -2.504 1.00 0.00 C ATOM 1401 NZ LYS A 91 -15.107 11.687 -3.937 1.00 0.00 N ATOM 0 H LYS A 91 -12.163 12.199 3.369 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.193 11.929 2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.792 12.291 0.511 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -12.515 10.568 0.357 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -14.876 10.160 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.299 11.818 0.228 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.721 12.569 -1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.501 10.884 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -16.088 10.785 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -16.043 12.536 -2.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.976 11.727 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.527 12.528 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.570 10.831 -4.184 1.00 0.00 H new ATOM 1415 N LYS A 92 -15.239 9.965 3.443 1.00 0.00 N ATOM 1416 CA LYS A 92 -16.094 8.837 3.839 1.00 0.00 C ATOM 1417 C LYS A 92 -16.431 7.934 2.647 1.00 0.00 C ATOM 1418 O LYS A 92 -16.266 6.724 2.744 1.00 0.00 O ATOM 1419 CB LYS A 92 -17.395 9.337 4.501 1.00 0.00 C ATOM 1420 CG LYS A 92 -17.194 10.151 5.798 1.00 0.00 C ATOM 1421 CD LYS A 92 -18.001 11.462 5.876 1.00 0.00 C ATOM 1422 CE LYS A 92 -17.639 12.422 4.732 1.00 0.00 C ATOM 1423 NZ LYS A 92 -18.182 13.783 4.906 1.00 0.00 N ATOM 0 H LYS A 92 -15.499 10.848 3.883 1.00 0.00 H new ATOM 0 HA LYS A 92 -15.530 8.248 4.563 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -17.937 9.953 3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -18.026 8.477 4.724 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -17.464 9.524 6.648 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -16.135 10.387 5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -19.067 11.236 5.838 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -17.812 11.949 6.833 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.554 12.481 4.649 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -18.009 12.010 3.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -17.899 14.375 4.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.220 13.739 4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.810 14.195 5.785 1.00 0.00 H new ATOM 1437 N GLU A 93 -16.839 8.501 1.511 1.00 0.00 N ATOM 1438 CA GLU A 93 -17.180 7.734 0.314 1.00 0.00 C ATOM 1439 C GLU A 93 -16.002 6.929 -0.243 1.00 0.00 C ATOM 1440 O GLU A 93 -16.196 5.824 -0.745 1.00 0.00 O ATOM 1441 CB GLU A 93 -17.722 8.698 -0.739 1.00 0.00 C ATOM 1442 CG GLU A 93 -18.402 7.946 -1.888 1.00 0.00 C ATOM 1443 CD GLU A 93 -19.322 8.809 -2.752 1.00 0.00 C ATOM 1444 OE1 GLU A 93 -19.664 9.962 -2.396 1.00 0.00 O ATOM 1445 OE2 GLU A 93 -19.798 8.280 -3.780 1.00 0.00 O ATOM 0 H GLU A 93 -16.942 9.509 1.396 1.00 0.00 H new ATOM 0 HA GLU A 93 -17.936 6.998 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.435 9.381 -0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -16.907 9.306 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -17.633 7.507 -2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -18.982 7.121 -1.473 1.00 0.00 H new ATOM 1452 N ASN A 94 -14.782 7.460 -0.147 1.00 0.00 N ATOM 1453 CA ASN A 94 -13.571 6.731 -0.493 1.00 0.00 C ATOM 1454 C ASN A 94 -13.405 5.552 0.472 1.00 0.00 C ATOM 1455 O ASN A 94 -13.122 4.439 0.026 1.00 0.00 O ATOM 1456 CB ASN A 94 -12.318 7.629 -0.488 1.00 0.00 C ATOM 1457 CG ASN A 94 -12.053 8.354 -1.804 1.00 0.00 C ATOM 1458 OD1 ASN A 94 -12.932 8.507 -2.648 1.00 0.00 O ATOM 1459 ND2 ASN A 94 -10.841 8.854 -2.000 1.00 0.00 N ATOM 0 H ASN A 94 -14.610 8.413 0.175 1.00 0.00 H new ATOM 0 HA ASN A 94 -13.675 6.363 -1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -12.420 8.369 0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.449 7.018 -0.244 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.634 9.369 -2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.115 8.723 -1.295 1.00 0.00 H new ATOM 1466 N ILE A 95 -13.632 5.755 1.780 1.00 0.00 N ATOM 1467 CA ILE A 95 -13.616 4.653 2.752 1.00 0.00 C ATOM 1468 C ILE A 95 -14.627 3.577 2.333 1.00 0.00 C ATOM 1469 O ILE A 95 -14.267 2.395 2.379 1.00 0.00 O ATOM 1470 CB ILE A 95 -13.817 5.136 4.216 1.00 0.00 C ATOM 1471 CG1 ILE A 95 -12.507 5.716 4.795 1.00 0.00 C ATOM 1472 CG2 ILE A 95 -14.277 4.008 5.164 1.00 0.00 C ATOM 1473 CD1 ILE A 95 -12.287 7.186 4.419 1.00 0.00 C ATOM 0 H ILE A 95 -13.828 6.670 2.187 1.00 0.00 H new ATOM 0 HA ILE A 95 -12.622 4.206 2.743 1.00 0.00 H new ATOM 0 HB ILE A 95 -14.594 5.898 4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.523 5.623 5.881 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.664 5.125 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -14.400 4.407 6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -15.227 3.604 4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -13.529 3.215 5.176 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.351 7.537 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.241 7.281 3.334 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.113 7.787 4.801 1.00 0.00 H new ATOM 1485 N ILE A 96 -15.858 3.940 1.930 1.00 0.00 N ATOM 1486 CA ILE A 96 -16.815 2.968 1.419 1.00 0.00 C ATOM 1487 C ILE A 96 -16.221 2.270 0.204 1.00 0.00 C ATOM 1488 O ILE A 96 -16.167 1.047 0.223 1.00 0.00 O ATOM 1489 CB ILE A 96 -18.156 3.649 1.092 1.00 0.00 C ATOM 1490 CG1 ILE A 96 -18.949 3.884 2.393 1.00 0.00 C ATOM 1491 CG2 ILE A 96 -19.040 2.849 0.126 1.00 0.00 C ATOM 1492 CD1 ILE A 96 -19.350 5.345 2.505 1.00 0.00 C ATOM 0 H ILE A 96 -16.204 4.899 1.952 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.018 2.216 2.181 1.00 0.00 H new ATOM 0 HB ILE A 96 -17.903 4.587 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.838 3.253 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.344 3.598 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -19.967 3.394 -0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.512 2.707 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.270 1.877 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.910 5.499 3.428 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -18.456 5.968 2.515 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -19.973 5.618 1.653 1.00 0.00 H new ATOM 1504 N ALA A 97 -15.812 2.982 -0.850 1.00 0.00 N ATOM 1505 CA ALA A 97 -15.350 2.353 -2.088 1.00 0.00 C ATOM 1506 C ALA A 97 -14.220 1.360 -1.805 1.00 0.00 C ATOM 1507 O ALA A 97 -14.238 0.255 -2.350 1.00 0.00 O ATOM 1508 CB ALA A 97 -14.933 3.410 -3.116 1.00 0.00 C ATOM 0 H ALA A 97 -15.792 4.002 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.179 1.791 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -14.594 2.917 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -15.785 4.050 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -14.124 4.015 -2.708 1.00 0.00 H new ATOM 1514 N ALA A 98 -13.288 1.717 -0.916 1.00 0.00 N ATOM 1515 CA ALA A 98 -12.240 0.826 -0.442 1.00 0.00 C ATOM 1516 C ALA A 98 -12.852 -0.421 0.187 1.00 0.00 C ATOM 1517 O ALA A 98 -12.511 -1.533 -0.207 1.00 0.00 O ATOM 1518 CB ALA A 98 -11.320 1.564 0.539 1.00 0.00 C ATOM 0 H ALA A 98 -13.245 2.649 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 98 -11.632 0.505 -1.288 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.540 0.886 0.886 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.863 2.417 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.903 1.914 1.391 1.00 0.00 H new ATOM 1524 N ALA A 99 -13.753 -0.253 1.153 1.00 0.00 N ATOM 1525 CA ALA A 99 -14.393 -1.358 1.847 1.00 0.00 C ATOM 1526 C ALA A 99 -15.139 -2.277 0.873 1.00 0.00 C ATOM 1527 O ALA A 99 -14.962 -3.493 0.927 1.00 0.00 O ATOM 1528 CB ALA A 99 -15.343 -0.798 2.910 1.00 0.00 C ATOM 0 H ALA A 99 -14.059 0.665 1.476 1.00 0.00 H new ATOM 0 HA ALA A 99 -13.626 -1.964 2.329 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -15.827 -1.621 3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.778 -0.196 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.101 -0.178 2.431 1.00 0.00 H new ATOM 1534 N GLN A 100 -15.937 -1.702 -0.029 1.00 0.00 N ATOM 1535 CA GLN A 100 -16.701 -2.396 -1.057 1.00 0.00 C ATOM 1536 C GLN A 100 -15.761 -3.247 -1.912 1.00 0.00 C ATOM 1537 O GLN A 100 -15.932 -4.463 -2.016 1.00 0.00 O ATOM 1538 CB GLN A 100 -17.461 -1.386 -1.940 1.00 0.00 C ATOM 1539 CG GLN A 100 -18.552 -0.564 -1.225 1.00 0.00 C ATOM 1540 CD GLN A 100 -19.807 -0.375 -2.077 1.00 0.00 C ATOM 1541 OE1 GLN A 100 -20.435 0.785 -2.043 1.00 0.00 O flip ATOM 1542 NE2 GLN A 100 -20.270 -1.292 -2.752 1.00 0.00 N flip ATOM 0 H GLN A 100 -16.072 -0.691 -0.060 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.431 -3.046 -0.575 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.738 -0.696 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.922 -1.928 -2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.823 -1.061 -0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -18.148 0.413 -0.959 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -19.792 -2.193 -2.785 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -21.132 -1.152 -3.279 1.00 0.00 H new ATOM 1551 N ALA A 101 -14.743 -2.615 -2.504 1.00 0.00 N ATOM 1552 CA ALA A 101 -13.750 -3.283 -3.331 1.00 0.00 C ATOM 1553 C ALA A 101 -12.955 -4.333 -2.547 1.00 0.00 C ATOM 1554 O ALA A 101 -12.420 -5.256 -3.155 1.00 0.00 O ATOM 1555 CB ALA A 101 -12.807 -2.235 -3.918 1.00 0.00 C ATOM 0 H ALA A 101 -14.589 -1.610 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.271 -3.811 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.059 -2.726 -4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -13.377 -1.531 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -12.311 -1.698 -3.109 1.00 0.00 H new ATOM 1561 N GLY A 102 -12.914 -4.228 -1.218 1.00 0.00 N ATOM 1562 CA GLY A 102 -12.288 -5.199 -0.345 1.00 0.00 C ATOM 1563 C GLY A 102 -10.856 -4.813 -0.006 1.00 0.00 C ATOM 1564 O GLY A 102 -10.023 -5.710 0.150 1.00 0.00 O ATOM 0 H GLY A 102 -13.328 -3.443 -0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.868 -5.289 0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.297 -6.178 -0.824 1.00 0.00 H new ATOM 1568 N ALA A 103 -10.555 -3.513 0.107 1.00 0.00 N ATOM 1569 CA ALA A 103 -9.208 -3.047 0.409 1.00 0.00 C ATOM 1570 C ALA A 103 -8.798 -3.577 1.772 1.00 0.00 C ATOM 1571 O ALA A 103 -9.637 -3.729 2.669 1.00 0.00 O ATOM 1572 CB ALA A 103 -9.082 -1.518 0.388 1.00 0.00 C ATOM 0 H ALA A 103 -11.238 -2.764 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.548 -3.425 -0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.056 -1.234 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.346 -1.145 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.754 -1.087 1.130 1.00 0.00 H new ATOM 1578 N SER A 104 -7.507 -3.815 1.940 1.00 0.00 N ATOM 1579 CA SER A 104 -6.979 -4.470 3.118 1.00 0.00 C ATOM 1580 C SER A 104 -6.770 -3.482 4.268 1.00 0.00 C ATOM 1581 O SER A 104 -6.485 -3.912 5.386 1.00 0.00 O ATOM 1582 CB SER A 104 -5.691 -5.194 2.732 1.00 0.00 C ATOM 1583 OG SER A 104 -5.813 -5.792 1.455 1.00 0.00 O ATOM 0 H SER A 104 -6.795 -3.556 1.257 1.00 0.00 H new ATOM 0 HA SER A 104 -7.699 -5.200 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.859 -4.490 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 104 -5.461 -5.957 3.475 1.00 0.00 H new ATOM 0 HG SER A 104 -5.842 -6.767 1.552 1.00 0.00 H new ATOM 1589 N GLY A 105 -6.947 -2.176 4.043 1.00 0.00 N ATOM 1590 CA GLY A 105 -6.895 -1.190 5.109 1.00 0.00 C ATOM 1591 C GLY A 105 -6.764 0.226 4.565 1.00 0.00 C ATOM 1592 O GLY A 105 -6.589 0.428 3.358 1.00 0.00 O ATOM 0 H GLY A 105 -7.129 -1.782 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.797 -1.264 5.716 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.051 -1.407 5.764 1.00 0.00 H new ATOM 1596 N TYR A 106 -6.811 1.190 5.486 1.00 0.00 N ATOM 1597 CA TYR A 106 -6.769 2.615 5.205 1.00 0.00 C ATOM 1598 C TYR A 106 -5.860 3.294 6.230 1.00 0.00 C ATOM 1599 O TYR A 106 -5.788 2.857 7.381 1.00 0.00 O ATOM 1600 CB TYR A 106 -8.201 3.183 5.276 1.00 0.00 C ATOM 1601 CG TYR A 106 -8.531 4.217 4.218 1.00 0.00 C ATOM 1602 CD1 TYR A 106 -7.960 5.499 4.280 1.00 0.00 C ATOM 1603 CD2 TYR A 106 -9.415 3.897 3.167 1.00 0.00 C ATOM 1604 CE1 TYR A 106 -8.239 6.445 3.283 1.00 0.00 C ATOM 1605 CE2 TYR A 106 -9.728 4.857 2.188 1.00 0.00 C ATOM 1606 CZ TYR A 106 -9.132 6.138 2.236 1.00 0.00 C ATOM 1607 OH TYR A 106 -9.415 7.066 1.284 1.00 0.00 O ATOM 0 H TYR A 106 -6.882 0.986 6.483 1.00 0.00 H new ATOM 0 HA TYR A 106 -6.371 2.800 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.908 2.358 5.190 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.351 3.630 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -7.304 5.757 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.853 2.911 3.114 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -7.766 7.416 3.317 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.424 4.615 1.399 1.00 0.00 H new ATOM 0 HH TYR A 106 -8.919 7.890 1.472 1.00 0.00 H new ATOM 1617 N VAL A 107 -5.212 4.387 5.850 1.00 0.00 N ATOM 1618 CA VAL A 107 -4.513 5.356 6.678 1.00 0.00 C ATOM 1619 C VAL A 107 -4.812 6.711 6.033 1.00 0.00 C ATOM 1620 O VAL A 107 -4.782 6.828 4.806 1.00 0.00 O ATOM 1621 CB VAL A 107 -2.996 5.055 6.688 1.00 0.00 C ATOM 1622 CG1 VAL A 107 -2.187 6.182 7.339 1.00 0.00 C ATOM 1623 CG2 VAL A 107 -2.648 3.760 7.435 1.00 0.00 C ATOM 0 H VAL A 107 -5.159 4.639 4.863 1.00 0.00 H new ATOM 0 HA VAL A 107 -4.835 5.330 7.719 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.733 4.954 5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.128 5.926 7.323 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.345 7.109 6.787 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.513 6.314 8.371 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.570 3.603 7.408 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.977 3.838 8.471 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.150 2.918 6.957 1.00 0.00 H new ATOM 1633 N VAL A 108 -5.076 7.729 6.852 1.00 0.00 N ATOM 1634 CA VAL A 108 -5.146 9.113 6.404 1.00 0.00 C ATOM 1635 C VAL A 108 -4.050 9.858 7.164 1.00 0.00 C ATOM 1636 O VAL A 108 -3.796 9.551 8.334 1.00 0.00 O ATOM 1637 CB VAL A 108 -6.553 9.717 6.628 1.00 0.00 C ATOM 1638 CG1 VAL A 108 -6.683 11.082 5.931 1.00 0.00 C ATOM 1639 CG2 VAL A 108 -7.690 8.835 6.078 1.00 0.00 C ATOM 0 H VAL A 108 -5.248 7.612 7.851 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.983 9.195 5.329 1.00 0.00 H new ATOM 0 HB VAL A 108 -6.651 9.802 7.710 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -7.681 11.485 6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.939 11.769 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -6.521 10.961 4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -8.649 9.317 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -7.559 8.700 5.004 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -7.668 7.863 6.572 1.00 0.00 H new ATOM 1649 N LYS A 109 -3.383 10.824 6.528 1.00 0.00 N ATOM 1650 CA LYS A 109 -2.459 11.719 7.225 1.00 0.00 C ATOM 1651 C LYS A 109 -3.173 12.459 8.367 1.00 0.00 C ATOM 1652 O LYS A 109 -4.367 12.737 8.237 1.00 0.00 O ATOM 1653 CB LYS A 109 -1.803 12.700 6.226 1.00 0.00 C ATOM 1654 CG LYS A 109 -2.768 13.668 5.512 1.00 0.00 C ATOM 1655 CD LYS A 109 -2.643 15.162 5.850 1.00 0.00 C ATOM 1656 CE LYS A 109 -3.049 15.604 7.256 1.00 0.00 C ATOM 1657 NZ LYS A 109 -4.488 15.385 7.506 1.00 0.00 N ATOM 0 H LYS A 109 -3.467 11.006 5.528 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.664 11.123 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.056 13.288 6.759 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.273 12.120 5.470 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.629 13.552 4.437 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -3.788 13.355 5.737 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.606 15.457 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.247 15.720 5.134 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -2.464 15.054 7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.814 16.660 7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -4.764 15.862 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.041 15.773 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.674 14.365 7.591 1.00 0.00 H new ATOM 1671 N PRO A 110 -2.455 12.947 9.393 1.00 0.00 N ATOM 1672 CA PRO A 110 -1.087 12.577 9.732 1.00 0.00 C ATOM 1673 C PRO A 110 -1.062 11.160 10.310 1.00 0.00 C ATOM 1674 O PRO A 110 -2.053 10.685 10.867 1.00 0.00 O ATOM 1675 CB PRO A 110 -0.639 13.612 10.759 1.00 0.00 C ATOM 1676 CG PRO A 110 -1.934 13.974 11.484 1.00 0.00 C ATOM 1677 CD PRO A 110 -3.007 13.837 10.407 1.00 0.00 C ATOM 0 HA PRO A 110 -0.423 12.570 8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 110 0.104 13.203 11.444 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.188 14.482 10.282 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -2.123 13.305 12.323 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -1.898 14.987 11.886 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.927 13.428 10.824 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -3.255 14.808 9.979 1.00 0.00 H new ATOM 1685 N PHE A 111 0.071 10.473 10.187 1.00 0.00 N ATOM 1686 CA PHE A 111 0.186 9.050 10.479 1.00 0.00 C ATOM 1687 C PHE A 111 1.647 8.706 10.748 1.00 0.00 C ATOM 1688 O PHE A 111 2.543 9.454 10.346 1.00 0.00 O ATOM 1689 CB PHE A 111 -0.332 8.259 9.274 1.00 0.00 C ATOM 1690 CG PHE A 111 0.593 8.252 8.074 1.00 0.00 C ATOM 1691 CD1 PHE A 111 0.786 9.415 7.303 1.00 0.00 C ATOM 1692 CD2 PHE A 111 1.295 7.077 7.751 1.00 0.00 C ATOM 1693 CE1 PHE A 111 1.654 9.397 6.204 1.00 0.00 C ATOM 1694 CE2 PHE A 111 2.141 7.053 6.634 1.00 0.00 C ATOM 1695 CZ PHE A 111 2.305 8.208 5.850 1.00 0.00 C ATOM 0 H PHE A 111 0.946 10.896 9.877 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.402 8.795 11.360 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -0.511 7.229 9.583 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.294 8.673 8.971 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.263 10.324 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.182 6.194 8.363 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.821 10.297 5.631 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.667 6.146 6.375 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.934 8.179 4.973 1.00 0.00 H new ATOM 1705 N THR A 112 1.894 7.578 11.406 1.00 0.00 N ATOM 1706 CA THR A 112 3.218 7.219 11.893 1.00 0.00 C ATOM 1707 C THR A 112 3.407 5.703 11.856 1.00 0.00 C ATOM 1708 O THR A 112 2.508 4.958 11.445 1.00 0.00 O ATOM 1709 CB THR A 112 3.393 7.794 13.312 1.00 0.00 C ATOM 1710 OG1 THR A 112 2.251 7.491 14.091 1.00 0.00 O ATOM 1711 CG2 THR A 112 3.629 9.305 13.294 1.00 0.00 C ATOM 0 H THR A 112 1.176 6.885 11.617 1.00 0.00 H new ATOM 0 HA THR A 112 3.988 7.645 11.250 1.00 0.00 H new ATOM 0 HB THR A 112 4.276 7.332 13.753 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.364 7.856 14.993 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.747 9.667 14.315 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.532 9.525 12.724 1.00 0.00 H new ATOM 0 HG23 THR A 112 2.777 9.801 12.829 1.00 0.00 H new ATOM 1719 N ALA A 113 4.580 5.231 12.286 1.00 0.00 N ATOM 1720 CA ALA A 113 4.884 3.814 12.381 1.00 0.00 C ATOM 1721 C ALA A 113 3.876 3.137 13.321 1.00 0.00 C ATOM 1722 O ALA A 113 3.492 2.003 13.062 1.00 0.00 O ATOM 1723 CB ALA A 113 6.354 3.611 12.787 1.00 0.00 C ATOM 0 H ALA A 113 5.349 5.834 12.579 1.00 0.00 H new ATOM 0 HA ALA A 113 4.776 3.331 11.410 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.569 2.545 12.855 1.00 0.00 H new ATOM 0 HB2 ALA A 113 7.004 4.065 12.039 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.532 4.079 13.755 1.00 0.00 H new ATOM 1729 N ALA A 114 3.344 3.856 14.319 1.00 0.00 N ATOM 1730 CA ALA A 114 2.291 3.374 15.204 1.00 0.00 C ATOM 1731 C ALA A 114 0.941 3.104 14.525 1.00 0.00 C ATOM 1732 O ALA A 114 0.132 2.404 15.134 1.00 0.00 O ATOM 1733 CB ALA A 114 2.086 4.369 16.346 1.00 0.00 C ATOM 0 H ALA A 114 3.644 4.807 14.532 1.00 0.00 H new ATOM 0 HA ALA A 114 2.640 2.407 15.567 1.00 0.00 H new ATOM 0 HB1 ALA A 114 1.298 4.007 17.007 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.013 4.472 16.909 1.00 0.00 H new ATOM 0 HB3 ALA A 114 1.800 5.338 15.937 1.00 0.00 H new ATOM 1739 N THR A 115 0.647 3.622 13.321 1.00 0.00 N ATOM 1740 CA THR A 115 -0.476 3.081 12.548 1.00 0.00 C ATOM 1741 C THR A 115 0.035 2.043 11.554 1.00 0.00 C ATOM 1742 O THR A 115 -0.627 1.026 11.366 1.00 0.00 O ATOM 1743 CB THR A 115 -1.345 4.184 11.908 1.00 0.00 C ATOM 1744 OG1 THR A 115 -2.648 3.697 11.624 1.00 0.00 O ATOM 1745 CG2 THR A 115 -0.824 4.765 10.598 1.00 0.00 C ATOM 0 H THR A 115 1.153 4.388 12.876 1.00 0.00 H new ATOM 0 HA THR A 115 -1.156 2.571 13.230 1.00 0.00 H new ATOM 0 HB THR A 115 -1.330 4.973 12.660 1.00 0.00 H new ATOM 0 HG1 THR A 115 -3.184 4.412 11.220 1.00 0.00 H new ATOM 0 HG21 THR A 115 -1.513 5.530 10.240 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.158 5.209 10.762 1.00 0.00 H new ATOM 0 HG23 THR A 115 -0.744 3.972 9.855 1.00 0.00 H new ATOM 1753 N LEU A 116 1.209 2.261 10.944 1.00 0.00 N ATOM 1754 CA LEU A 116 1.778 1.356 9.949 1.00 0.00 C ATOM 1755 C LEU A 116 1.828 -0.065 10.533 1.00 0.00 C ATOM 1756 O LEU A 116 1.288 -0.989 9.930 1.00 0.00 O ATOM 1757 CB LEU A 116 3.156 1.896 9.507 1.00 0.00 C ATOM 1758 CG LEU A 116 3.769 1.371 8.192 1.00 0.00 C ATOM 1759 CD1 LEU A 116 3.852 -0.150 8.128 1.00 0.00 C ATOM 1760 CD2 LEU A 116 3.040 1.878 6.943 1.00 0.00 C ATOM 0 H LEU A 116 1.790 3.078 11.132 1.00 0.00 H new ATOM 0 HA LEU A 116 1.159 1.304 9.053 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.076 2.980 9.425 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.865 1.689 10.308 1.00 0.00 H new ATOM 0 HG LEU A 116 4.781 1.775 8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.292 -0.451 7.177 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.472 -0.515 8.947 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.851 -0.573 8.214 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.520 1.473 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.999 1.555 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.082 2.967 6.914 1.00 0.00 H new ATOM 1772 N GLU A 117 2.404 -0.229 11.725 1.00 0.00 N ATOM 1773 CA GLU A 117 2.556 -1.505 12.419 1.00 0.00 C ATOM 1774 C GLU A 117 1.213 -2.111 12.828 1.00 0.00 C ATOM 1775 O GLU A 117 1.047 -3.328 12.787 1.00 0.00 O ATOM 1776 CB GLU A 117 3.501 -1.334 13.623 1.00 0.00 C ATOM 1777 CG GLU A 117 2.934 -0.586 14.842 1.00 0.00 C ATOM 1778 CD GLU A 117 2.397 -1.541 15.909 1.00 0.00 C ATOM 1779 OE1 GLU A 117 3.213 -2.160 16.642 1.00 0.00 O ATOM 1780 OE2 GLU A 117 1.173 -1.696 16.057 1.00 0.00 O ATOM 0 H GLU A 117 2.791 0.554 12.252 1.00 0.00 H new ATOM 0 HA GLU A 117 3.002 -2.217 11.725 1.00 0.00 H new ATOM 0 HB2 GLU A 117 3.820 -2.324 13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.393 -0.807 13.284 1.00 0.00 H new ATOM 0 HG2 GLU A 117 3.713 0.040 15.277 1.00 0.00 H new ATOM 0 HG3 GLU A 117 2.134 0.080 14.518 1.00 0.00 H new ATOM 1787 N GLU A 118 0.234 -1.281 13.183 1.00 0.00 N ATOM 1788 CA GLU A 118 -1.065 -1.774 13.605 1.00 0.00 C ATOM 1789 C GLU A 118 -1.801 -2.335 12.389 1.00 0.00 C ATOM 1790 O GLU A 118 -2.432 -3.391 12.469 1.00 0.00 O ATOM 1791 CB GLU A 118 -1.839 -0.657 14.319 1.00 0.00 C ATOM 1792 CG GLU A 118 -3.202 -1.171 14.807 1.00 0.00 C ATOM 1793 CD GLU A 118 -3.885 -0.276 15.840 1.00 0.00 C ATOM 1794 OE1 GLU A 118 -3.425 0.853 16.117 1.00 0.00 O ATOM 1795 OE2 GLU A 118 -4.939 -0.683 16.381 1.00 0.00 O ATOM 0 H GLU A 118 0.321 -0.265 13.185 1.00 0.00 H new ATOM 0 HA GLU A 118 -0.959 -2.585 14.325 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.259 -0.289 15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -1.983 0.184 13.641 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -3.863 -1.282 13.947 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -3.069 -2.164 15.237 1.00 0.00 H new ATOM 1802 N LYS A 119 -1.702 -1.649 11.249 1.00 0.00 N ATOM 1803 CA LYS A 119 -2.238 -2.099 9.970 1.00 0.00 C ATOM 1804 C LYS A 119 -1.499 -3.361 9.518 1.00 0.00 C ATOM 1805 O LYS A 119 -2.165 -4.290 9.065 1.00 0.00 O ATOM 1806 CB LYS A 119 -2.149 -0.963 8.929 1.00 0.00 C ATOM 1807 CG LYS A 119 -2.924 0.310 9.318 1.00 0.00 C ATOM 1808 CD LYS A 119 -4.429 0.250 9.041 1.00 0.00 C ATOM 1809 CE LYS A 119 -5.211 1.154 10.010 1.00 0.00 C ATOM 1810 NZ LYS A 119 -4.821 2.575 9.943 1.00 0.00 N ATOM 0 H LYS A 119 -1.235 -0.744 11.192 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.292 -2.355 10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -1.101 -0.705 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.528 -1.329 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -2.771 0.503 10.380 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.502 1.156 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.625 0.558 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.778 -0.778 9.137 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.276 1.068 9.793 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.063 0.794 11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -5.496 3.146 10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.866 2.692 10.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.826 2.890 8.952 1.00 0.00 H new ATOM 1824 N LEU A 120 -0.173 -3.444 9.711 1.00 0.00 N ATOM 1825 CA LEU A 120 0.587 -4.662 9.440 1.00 0.00 C ATOM 1826 C LEU A 120 -0.052 -5.794 10.225 1.00 0.00 C ATOM 1827 O LEU A 120 -0.513 -6.757 9.626 1.00 0.00 O ATOM 1828 CB LEU A 120 2.082 -4.563 9.803 1.00 0.00 C ATOM 1829 CG LEU A 120 2.974 -3.728 8.875 1.00 0.00 C ATOM 1830 CD1 LEU A 120 4.402 -3.700 9.410 1.00 0.00 C ATOM 1831 CD2 LEU A 120 3.007 -4.255 7.443 1.00 0.00 C ATOM 0 H LEU A 120 0.394 -2.670 10.057 1.00 0.00 H new ATOM 0 HA LEU A 120 0.554 -4.837 8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.159 -4.149 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.488 -5.574 9.843 1.00 0.00 H new ATOM 0 HG LEU A 120 2.542 -2.728 8.855 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.028 -3.105 8.745 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.409 -3.258 10.406 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.791 -4.717 9.462 1.00 0.00 H new ATOM 0 HD21 LEU A 120 3.655 -3.622 6.837 1.00 0.00 H new ATOM 0 HD22 LEU A 120 3.391 -5.275 7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.999 -4.245 7.028 1.00 0.00 H new ATOM 1843 N ASN A 121 -0.151 -5.654 11.548 1.00 0.00 N ATOM 1844 CA ASN A 121 -0.712 -6.687 12.406 1.00 0.00 C ATOM 1845 C ASN A 121 -2.143 -7.073 12.001 1.00 0.00 C ATOM 1846 O ASN A 121 -2.509 -8.250 12.097 1.00 0.00 O ATOM 1847 CB ASN A 121 -0.638 -6.253 13.869 1.00 0.00 C ATOM 1848 CG ASN A 121 -1.060 -7.395 14.782 1.00 0.00 C ATOM 1849 OD1 ASN A 121 -0.518 -8.491 14.701 1.00 0.00 O ATOM 1850 ND2 ASN A 121 -2.012 -7.169 15.671 1.00 0.00 N ATOM 0 H ASN A 121 0.156 -4.821 12.050 1.00 0.00 H new ATOM 0 HA ASN A 121 -0.110 -7.587 12.280 1.00 0.00 H new ATOM 0 HB2 ASN A 121 0.378 -5.941 14.112 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -1.284 -5.390 14.032 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -2.306 -7.913 16.304 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -2.452 -6.250 15.724 1.00 0.00 H new ATOM 1857 N LYS A 122 -2.950 -6.122 11.499 1.00 0.00 N ATOM 1858 CA LYS A 122 -4.244 -6.447 10.893 1.00 0.00 C ATOM 1859 C LYS A 122 -4.021 -7.438 9.761 1.00 0.00 C ATOM 1860 O LYS A 122 -4.467 -8.568 9.895 1.00 0.00 O ATOM 1861 CB LYS A 122 -5.038 -5.230 10.385 1.00 0.00 C ATOM 1862 CG LYS A 122 -5.548 -4.291 11.484 1.00 0.00 C ATOM 1863 CD LYS A 122 -6.080 -2.979 10.889 1.00 0.00 C ATOM 1864 CE LYS A 122 -5.942 -1.815 11.877 1.00 0.00 C ATOM 1865 NZ LYS A 122 -7.120 -1.648 12.747 1.00 0.00 N ATOM 0 H LYS A 122 -2.726 -5.127 11.503 1.00 0.00 H new ATOM 0 HA LYS A 122 -4.859 -6.878 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -4.406 -4.660 9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -5.890 -5.586 9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -6.339 -4.784 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -4.742 -4.075 12.185 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -5.536 -2.747 9.974 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -7.128 -3.102 10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -5.060 -1.976 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -5.776 -0.893 11.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -6.965 -0.846 13.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -7.960 -1.465 12.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.267 -2.515 13.302 1.00 0.00 H new ATOM 1879 N ILE A 123 -3.393 -7.065 8.642 1.00 0.00 N ATOM 1880 CA ILE A 123 -3.357 -7.983 7.492 1.00 0.00 C ATOM 1881 C ILE A 123 -2.503 -9.242 7.742 1.00 0.00 C ATOM 1882 O ILE A 123 -2.757 -10.295 7.147 1.00 0.00 O ATOM 1883 CB ILE A 123 -2.987 -7.246 6.189 1.00 0.00 C ATOM 1884 CG1 ILE A 123 -1.653 -6.462 6.251 1.00 0.00 C ATOM 1885 CG2 ILE A 123 -4.192 -6.396 5.753 1.00 0.00 C ATOM 1886 CD1 ILE A 123 -1.727 -4.935 6.083 1.00 0.00 C ATOM 0 H ILE A 123 -2.919 -6.172 8.505 1.00 0.00 H new ATOM 0 HA ILE A 123 -4.372 -8.359 7.362 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.780 -7.990 5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.181 -6.674 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -0.994 -6.855 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.949 -5.866 4.832 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -5.052 -7.044 5.583 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -4.430 -5.674 6.534 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.724 -4.513 6.147 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.160 -4.696 5.111 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -2.350 -4.512 6.871 1.00 0.00 H new ATOM 1898 N PHE A 124 -1.546 -9.169 8.663 1.00 0.00 N ATOM 1899 CA PHE A 124 -0.776 -10.297 9.154 1.00 0.00 C ATOM 1900 C PHE A 124 -1.680 -11.347 9.775 1.00 0.00 C ATOM 1901 O PHE A 124 -1.505 -12.529 9.503 1.00 0.00 O ATOM 1902 CB PHE A 124 0.184 -9.820 10.236 1.00 0.00 C ATOM 1903 CG PHE A 124 1.433 -9.056 9.809 1.00 0.00 C ATOM 1904 CD1 PHE A 124 1.731 -8.789 8.455 1.00 0.00 C ATOM 1905 CD2 PHE A 124 2.344 -8.645 10.800 1.00 0.00 C ATOM 1906 CE1 PHE A 124 2.929 -8.147 8.102 1.00 0.00 C ATOM 1907 CE2 PHE A 124 3.545 -8.006 10.442 1.00 0.00 C ATOM 1908 CZ PHE A 124 3.844 -7.766 9.092 1.00 0.00 C ATOM 0 H PHE A 124 -1.279 -8.287 9.101 1.00 0.00 H new ATOM 0 HA PHE A 124 -0.240 -10.729 8.309 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.377 -9.184 10.921 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.506 -10.693 10.803 1.00 0.00 H new ATOM 0 HD1 PHE A 124 1.032 -9.081 7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 124 2.120 -8.821 11.842 1.00 0.00 H new ATOM 0 HE1 PHE A 124 3.146 -7.946 7.063 1.00 0.00 H new ATOM 0 HE2 PHE A 124 4.240 -7.699 11.209 1.00 0.00 H new ATOM 0 HZ PHE A 124 4.774 -7.290 8.818 1.00 0.00 H new ATOM 1918 N GLU A 125 -2.589 -10.959 10.665 1.00 0.00 N ATOM 1919 CA GLU A 125 -3.491 -11.922 11.279 1.00 0.00 C ATOM 1920 C GLU A 125 -4.644 -12.228 10.330 1.00 0.00 C ATOM 1921 O GLU A 125 -4.903 -13.383 9.994 1.00 0.00 O ATOM 1922 CB GLU A 125 -3.980 -11.353 12.616 1.00 0.00 C ATOM 1923 CG GLU A 125 -2.853 -11.302 13.658 1.00 0.00 C ATOM 1924 CD GLU A 125 -2.548 -12.688 14.224 1.00 0.00 C ATOM 1925 OE1 GLU A 125 -1.926 -13.531 13.534 1.00 0.00 O ATOM 1926 OE2 GLU A 125 -2.957 -12.959 15.380 1.00 0.00 O ATOM 0 H GLU A 125 -2.718 -9.995 10.973 1.00 0.00 H new ATOM 0 HA GLU A 125 -2.976 -12.863 11.474 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -4.378 -10.350 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -4.798 -11.966 12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -1.953 -10.888 13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -3.137 -10.631 14.469 1.00 0.00 H new ATOM 1933 N LYS A 126 -5.338 -11.180 9.892 1.00 0.00 N ATOM 1934 CA LYS A 126 -6.634 -11.235 9.261 1.00 0.00 C ATOM 1935 C LYS A 126 -6.510 -12.028 7.968 1.00 0.00 C ATOM 1936 O LYS A 126 -7.210 -13.024 7.807 1.00 0.00 O ATOM 1937 CB LYS A 126 -7.153 -9.786 9.118 1.00 0.00 C ATOM 1938 CG LYS A 126 -8.673 -9.672 9.163 1.00 0.00 C ATOM 1939 CD LYS A 126 -9.351 -10.235 7.924 1.00 0.00 C ATOM 1940 CE LYS A 126 -9.459 -9.205 6.796 1.00 0.00 C ATOM 1941 NZ LYS A 126 -10.272 -9.704 5.670 1.00 0.00 N ATOM 0 H LYS A 126 -4.985 -10.227 9.977 1.00 0.00 H new ATOM 0 HA LYS A 126 -7.384 -11.764 9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -6.728 -9.177 9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -6.794 -9.372 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -9.045 -10.197 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -8.949 -8.624 9.276 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -8.791 -11.100 7.569 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -10.349 -10.587 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -9.901 -8.287 7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -8.461 -8.952 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -10.320 -8.977 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -9.837 -10.566 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -11.232 -9.921 6.005 1.00 0.00 H new ATOM 1955 N LEU A 127 -5.662 -11.583 7.038 1.00 0.00 N ATOM 1956 CA LEU A 127 -5.383 -12.348 5.832 1.00 0.00 C ATOM 1957 C LEU A 127 -4.526 -13.547 6.237 1.00 0.00 C ATOM 1958 O LEU A 127 -4.891 -14.695 5.977 1.00 0.00 O ATOM 1959 CB LEU A 127 -4.682 -11.500 4.749 1.00 0.00 C ATOM 1960 CG LEU A 127 -5.136 -10.035 4.593 1.00 0.00 C ATOM 1961 CD1 LEU A 127 -4.508 -9.400 3.347 1.00 0.00 C ATOM 1962 CD2 LEU A 127 -6.653 -9.852 4.536 1.00 0.00 C ATOM 0 H LEU A 127 -5.160 -10.697 7.102 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.321 -12.679 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -3.613 -11.501 4.960 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -4.818 -11.999 3.790 1.00 0.00 H new ATOM 0 HG LEU A 127 -4.789 -9.533 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.843 -8.367 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.422 -9.423 3.435 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.812 -9.958 2.462 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.888 -8.793 4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -7.054 -10.403 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.100 -10.229 5.456 1.00 0.00 H new ATOM 1974 N GLY A 128 -3.409 -13.278 6.914 1.00 0.00 N ATOM 1975 CA GLY A 128 -2.382 -14.260 7.235 1.00 0.00 C ATOM 1976 C GLY A 128 -0.996 -13.830 6.754 1.00 0.00 C ATOM 1977 O GLY A 128 -0.124 -14.693 6.611 1.00 0.00 O ATOM 0 H GLY A 128 -3.191 -12.344 7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -2.357 -14.417 8.313 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -2.642 -15.216 6.780 1.00 0.00 H new ATOM 1981 N MET A 129 -0.803 -12.549 6.418 1.00 0.00 N ATOM 1982 CA MET A 129 0.350 -12.118 5.633 1.00 0.00 C ATOM 1983 C MET A 129 1.650 -12.368 6.372 1.00 0.00 C ATOM 1984 O MET A 129 1.842 -11.816 7.473 1.00 0.00 O ATOM 1985 CB MET A 129 0.193 -10.653 5.212 1.00 0.00 C ATOM 1986 CG MET A 129 -0.682 -10.535 3.962 1.00 0.00 C ATOM 1987 SD MET A 129 -0.081 -11.379 2.465 1.00 0.00 S ATOM 1988 CE MET A 129 1.615 -10.755 2.350 1.00 0.00 C ATOM 1989 OXT MET A 129 2.495 -13.108 5.818 1.00 0.00 O ATOM 0 H MET A 129 -1.436 -11.793 6.681 1.00 0.00 H new ATOM 0 HA MET A 129 0.392 -12.719 4.724 1.00 0.00 H new ATOM 0 HB2 MET A 129 -0.251 -10.082 6.027 1.00 0.00 H new ATOM 0 HB3 MET A 129 1.174 -10.219 5.017 1.00 0.00 H new ATOM 0 HG2 MET A 129 -1.671 -10.926 4.200 1.00 0.00 H new ATOM 0 HG3 MET A 129 -0.805 -9.477 3.731 1.00 0.00 H new ATOM 0 HE1 MET A 129 2.008 -10.950 1.352 1.00 0.00 H new ATOM 0 HE2 MET A 129 1.621 -9.681 2.539 1.00 0.00 H new ATOM 0 HE3 MET A 129 2.238 -11.257 3.090 1.00 0.00 H new TER 1999 MET A 129