USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 56 LYS NZ :NH3+ -133:sc= -1.39 (180deg=0) USER MOD Set 1.2: A 73 MET CE :methyl 172:sc= -0.158 (180deg=0) USER MOD Set 2.1: A 43 THR OG1 : rot -73:sc= 0.758 USER MOD Set 2.2: A 46 SER OG : rot -160:sc= 0.683 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 71 THR OG1 : rot -170:sc= -0.0756 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.113 (180deg=-0.84) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -3.01 X(o=-3,f=-2.7!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.497 USER MOD Single : A 29 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.29) USER MOD Single : A 35 HIS :FLIP no HD1:sc= -1.87! C(o=-6.2!,f=-1.9!) USER MOD Single : A 36 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.53) USER MOD Single : A 48 GLN : amide:sc= -0.0667 X(o=-0.067,f=-0.39) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -25:sc= 0.0501 USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.513) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.886 -5.836 -5.334 1.00 0.00 N ATOM 2 CA MET A 1 -23.619 -5.168 -5.744 1.00 0.00 C ATOM 3 C MET A 1 -22.615 -5.244 -4.600 1.00 0.00 C ATOM 4 O MET A 1 -22.924 -5.748 -3.520 1.00 0.00 O ATOM 5 CB MET A 1 -23.905 -3.707 -6.094 1.00 0.00 C ATOM 6 CG MET A 1 -24.661 -3.047 -4.940 1.00 0.00 C ATOM 7 SD MET A 1 -24.924 -1.296 -5.312 1.00 0.00 S ATOM 8 CE MET A 1 -25.689 -0.851 -3.734 1.00 0.00 C ATOM 0 H1 MET A 1 -25.694 -5.344 -5.767 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.874 -6.827 -5.650 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.976 -5.804 -4.298 1.00 0.00 H new ATOM 0 HA MET A 1 -23.204 -5.669 -6.618 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.971 -3.177 -6.282 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.494 -3.649 -7.009 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.619 -3.545 -4.787 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.096 -3.152 -4.014 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.941 0.210 -3.738 1.00 0.00 H new ATOM 0 HE2 MET A 1 -26.596 -1.439 -3.591 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.992 -1.055 -2.921 1.00 0.00 H new ATOM 18 N VAL A 2 -21.411 -4.739 -4.845 1.00 0.00 N ATOM 19 CA VAL A 2 -20.365 -4.753 -3.828 1.00 0.00 C ATOM 20 C VAL A 2 -19.213 -3.839 -4.238 1.00 0.00 C ATOM 21 O VAL A 2 -18.305 -3.577 -3.448 1.00 0.00 O ATOM 22 CB VAL A 2 -19.851 -6.183 -3.630 1.00 0.00 C ATOM 23 CG1 VAL A 2 -19.421 -6.764 -4.979 1.00 0.00 C ATOM 24 CG2 VAL A 2 -18.655 -6.176 -2.670 1.00 0.00 C ATOM 0 H VAL A 2 -21.136 -4.318 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 2 -20.783 -4.389 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 2 -20.647 -6.796 -3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -19.056 -7.781 -4.837 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -20.273 -6.776 -5.658 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -18.627 -6.149 -5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -18.293 -7.195 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -17.858 -5.561 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -18.963 -5.767 -1.708 1.00 0.00 H new ATOM 34 N THR A 3 -19.257 -3.358 -5.476 1.00 0.00 N ATOM 35 CA THR A 3 -18.211 -2.474 -5.979 1.00 0.00 C ATOM 36 C THR A 3 -16.853 -3.170 -5.920 1.00 0.00 C ATOM 37 O THR A 3 -16.032 -2.869 -5.055 1.00 0.00 O ATOM 38 CB THR A 3 -18.163 -1.191 -5.144 1.00 0.00 C ATOM 39 OG1 THR A 3 -19.479 -0.679 -4.991 1.00 0.00 O ATOM 40 CG2 THR A 3 -17.289 -0.153 -5.849 1.00 0.00 C ATOM 0 H THR A 3 -19.999 -3.563 -6.145 1.00 0.00 H new ATOM 0 HA THR A 3 -18.438 -2.224 -7.015 1.00 0.00 H new ATOM 0 HB THR A 3 -17.741 -1.411 -4.163 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.451 0.141 -4.455 1.00 0.00 H new ATOM 0 HG21 THR A 3 -17.256 0.759 -5.254 1.00 0.00 H new ATOM 0 HG22 THR A 3 -16.279 -0.547 -5.966 1.00 0.00 H new ATOM 0 HG23 THR A 3 -17.708 0.069 -6.830 1.00 0.00 H new ATOM 48 N PRO A 4 -16.606 -4.096 -6.812 1.00 0.00 N ATOM 49 CA PRO A 4 -15.322 -4.849 -6.846 1.00 0.00 C ATOM 50 C PRO A 4 -14.203 -4.042 -7.505 1.00 0.00 C ATOM 51 O PRO A 4 -14.319 -3.628 -8.659 1.00 0.00 O ATOM 52 CB PRO A 4 -15.672 -6.099 -7.659 1.00 0.00 C ATOM 53 CG PRO A 4 -16.750 -5.654 -8.601 1.00 0.00 C ATOM 54 CD PRO A 4 -17.521 -4.532 -7.886 1.00 0.00 C ATOM 0 HA PRO A 4 -14.942 -5.079 -5.851 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -14.804 -6.475 -8.201 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.019 -6.906 -7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.323 -5.295 -9.537 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -17.413 -6.482 -8.850 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -17.756 -3.713 -8.566 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -18.467 -4.893 -7.482 1.00 0.00 H new ATOM 62 N VAL A 5 -13.124 -3.825 -6.760 1.00 0.00 N ATOM 63 CA VAL A 5 -11.987 -3.066 -7.272 1.00 0.00 C ATOM 64 C VAL A 5 -11.083 -3.959 -8.117 1.00 0.00 C ATOM 65 O VAL A 5 -10.500 -3.510 -9.103 1.00 0.00 O ATOM 66 CB VAL A 5 -11.184 -2.480 -6.108 1.00 0.00 C ATOM 67 CG1 VAL A 5 -10.684 -3.613 -5.211 1.00 0.00 C ATOM 68 CG2 VAL A 5 -9.988 -1.699 -6.655 1.00 0.00 C ATOM 0 H VAL A 5 -13.012 -4.162 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 5 -12.366 -2.257 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.821 -1.812 -5.529 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -10.112 -3.196 -4.382 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.535 -4.170 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.048 -4.282 -5.790 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -9.416 -1.282 -5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -9.351 -2.367 -7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.343 -0.891 -7.294 1.00 0.00 H new ATOM 78 N ASN A 6 -10.971 -5.226 -7.722 1.00 0.00 N ATOM 79 CA ASN A 6 -10.134 -6.182 -8.448 1.00 0.00 C ATOM 80 C ASN A 6 -10.741 -7.579 -8.375 1.00 0.00 C ATOM 81 O ASN A 6 -11.625 -7.839 -7.560 1.00 0.00 O ATOM 82 CB ASN A 6 -8.724 -6.199 -7.850 1.00 0.00 C ATOM 83 CG ASN A 6 -8.150 -4.786 -7.829 1.00 0.00 C ATOM 84 OD1 ASN A 6 -8.128 -4.109 -8.857 1.00 0.00 O ATOM 85 ND2 ASN A 6 -7.682 -4.297 -6.713 1.00 0.00 N ATOM 0 H ASN A 6 -11.446 -5.614 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.079 -5.876 -9.493 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.754 -6.603 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.079 -6.854 -8.436 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.297 -3.353 -6.692 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -7.701 -4.859 -5.862 1.00 0.00 H new ATOM 92 N MET A 7 -10.265 -8.473 -9.237 1.00 0.00 N ATOM 93 CA MET A 7 -10.776 -9.838 -9.262 1.00 0.00 C ATOM 94 C MET A 7 -10.229 -10.643 -8.085 1.00 0.00 C ATOM 95 O MET A 7 -10.934 -11.472 -7.509 1.00 0.00 O ATOM 96 CB MET A 7 -10.393 -10.517 -10.582 1.00 0.00 C ATOM 97 CG MET A 7 -8.929 -10.220 -10.912 1.00 0.00 C ATOM 98 SD MET A 7 -8.391 -11.284 -12.274 1.00 0.00 S ATOM 99 CE MET A 7 -6.793 -10.490 -12.570 1.00 0.00 C ATOM 0 H MET A 7 -9.533 -8.279 -9.921 1.00 0.00 H new ATOM 0 HA MET A 7 -11.862 -9.800 -9.179 1.00 0.00 H new ATOM 0 HB2 MET A 7 -10.547 -11.593 -10.506 1.00 0.00 H new ATOM 0 HB3 MET A 7 -11.036 -10.159 -11.386 1.00 0.00 H new ATOM 0 HG2 MET A 7 -8.812 -9.172 -11.187 1.00 0.00 H new ATOM 0 HG3 MET A 7 -8.305 -10.391 -10.035 1.00 0.00 H new ATOM 0 HE1 MET A 7 -6.281 -10.997 -13.387 1.00 0.00 H new ATOM 0 HE2 MET A 7 -6.950 -9.444 -12.834 1.00 0.00 H new ATOM 0 HE3 MET A 7 -6.184 -10.550 -11.668 1.00 0.00 H new ATOM 109 N SER A 8 -8.968 -10.394 -7.732 1.00 0.00 N ATOM 110 CA SER A 8 -8.323 -11.096 -6.617 1.00 0.00 C ATOM 111 C SER A 8 -7.887 -10.102 -5.546 1.00 0.00 C ATOM 112 O SER A 8 -7.384 -9.023 -5.859 1.00 0.00 O ATOM 113 CB SER A 8 -7.100 -11.858 -7.128 1.00 0.00 C ATOM 114 OG SER A 8 -7.505 -12.774 -8.137 1.00 0.00 O ATOM 0 H SER A 8 -8.371 -9.712 -8.200 1.00 0.00 H new ATOM 0 HA SER A 8 -9.038 -11.795 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.364 -11.161 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.621 -12.392 -6.307 1.00 0.00 H new ATOM 0 HG SER A 8 -6.723 -13.263 -8.468 1.00 0.00 H new ATOM 120 N ARG A 9 -8.076 -10.470 -4.283 1.00 0.00 N ATOM 121 CA ARG A 9 -7.692 -9.602 -3.188 1.00 0.00 C ATOM 122 C ARG A 9 -6.173 -9.534 -3.089 1.00 0.00 C ATOM 123 O ARG A 9 -5.611 -8.503 -2.749 1.00 0.00 O ATOM 124 CB ARG A 9 -8.287 -10.123 -1.877 1.00 0.00 C ATOM 125 CG ARG A 9 -7.628 -11.453 -1.497 1.00 0.00 C ATOM 126 CD ARG A 9 -8.374 -12.070 -0.314 1.00 0.00 C ATOM 127 NE ARG A 9 -7.633 -13.211 0.212 1.00 0.00 N ATOM 128 CZ ARG A 9 -8.014 -13.820 1.330 1.00 0.00 C ATOM 129 NH1 ARG A 9 -9.068 -13.398 1.974 1.00 0.00 N ATOM 130 NH2 ARG A 9 -7.336 -14.837 1.784 1.00 0.00 N ATOM 0 H ARG A 9 -8.490 -11.358 -3.999 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.077 -8.599 -3.374 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.135 -9.392 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.363 -10.258 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.644 -12.135 -2.347 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.582 -11.292 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.509 -11.324 0.469 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.369 -12.387 -0.628 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.809 -13.547 -0.286 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.598 -12.602 1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.362 -13.864 2.832 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.512 -15.166 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.630 -15.303 2.642 1.00 0.00 H new ATOM 144 N GLU A 10 -5.512 -10.639 -3.401 1.00 0.00 N ATOM 145 CA GLU A 10 -4.056 -10.678 -3.348 1.00 0.00 C ATOM 146 C GLU A 10 -3.462 -9.465 -4.070 1.00 0.00 C ATOM 147 O GLU A 10 -2.408 -8.963 -3.685 1.00 0.00 O ATOM 148 CB GLU A 10 -3.559 -11.980 -3.976 1.00 0.00 C ATOM 149 CG GLU A 10 -2.038 -11.936 -4.153 1.00 0.00 C ATOM 150 CD GLU A 10 -1.512 -13.335 -4.462 1.00 0.00 C ATOM 151 OE1 GLU A 10 -1.959 -13.911 -5.440 1.00 0.00 O ATOM 152 OE2 GLU A 10 -0.670 -13.808 -3.716 1.00 0.00 O ATOM 0 H GLU A 10 -5.953 -11.512 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.732 -10.641 -2.308 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.835 -12.825 -3.345 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.040 -12.133 -4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.776 -11.253 -4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.568 -11.553 -3.247 1.00 0.00 H new ATOM 159 N THR A 11 -4.157 -8.986 -5.101 1.00 0.00 N ATOM 160 CA THR A 11 -3.691 -7.814 -5.843 1.00 0.00 C ATOM 161 C THR A 11 -3.863 -6.589 -4.961 1.00 0.00 C ATOM 162 O THR A 11 -3.172 -5.583 -5.100 1.00 0.00 O ATOM 163 CB THR A 11 -4.511 -7.648 -7.125 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.470 -8.857 -7.871 1.00 0.00 O ATOM 165 CG2 THR A 11 -3.931 -6.510 -7.965 1.00 0.00 C ATOM 0 H THR A 11 -5.033 -9.384 -5.439 1.00 0.00 H new ATOM 0 HA THR A 11 -2.643 -7.937 -6.114 1.00 0.00 H new ATOM 0 HB THR A 11 -5.543 -7.413 -6.866 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.996 -8.753 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.517 -6.395 -8.877 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.964 -5.583 -7.393 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.898 -6.740 -8.225 1.00 0.00 H new ATOM 173 N ALA A 12 -4.797 -6.728 -4.040 1.00 0.00 N ATOM 174 CA ALA A 12 -5.113 -5.689 -3.075 1.00 0.00 C ATOM 175 C ALA A 12 -4.133 -5.752 -1.903 1.00 0.00 C ATOM 176 O ALA A 12 -3.282 -4.878 -1.734 1.00 0.00 O ATOM 177 CB ALA A 12 -6.552 -5.889 -2.585 1.00 0.00 C ATOM 0 H ALA A 12 -5.363 -7.571 -3.938 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.024 -4.708 -3.542 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.800 -5.114 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.236 -5.827 -3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.644 -6.868 -2.115 1.00 0.00 H new ATOM 183 N LEU A 13 -4.272 -6.800 -1.106 1.00 0.00 N ATOM 184 CA LEU A 13 -3.421 -7.020 0.062 1.00 0.00 C ATOM 185 C LEU A 13 -1.973 -6.589 -0.199 1.00 0.00 C ATOM 186 O LEU A 13 -1.266 -6.191 0.724 1.00 0.00 O ATOM 187 CB LEU A 13 -3.433 -8.518 0.411 1.00 0.00 C ATOM 188 CG LEU A 13 -4.726 -8.919 1.152 1.00 0.00 C ATOM 189 CD1 LEU A 13 -5.970 -8.341 0.466 1.00 0.00 C ATOM 190 CD2 LEU A 13 -4.841 -10.447 1.150 1.00 0.00 C ATOM 0 H LEU A 13 -4.976 -7.524 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.813 -6.420 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.339 -9.106 -0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.569 -8.754 1.032 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.673 -8.525 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.862 -8.644 1.015 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.905 -7.253 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.029 -8.715 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.751 -10.744 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.877 -10.808 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.977 -10.878 1.656 1.00 0.00 H new ATOM 202 N ARG A 14 -1.523 -6.715 -1.444 1.00 0.00 N ATOM 203 CA ARG A 14 -0.139 -6.381 -1.787 1.00 0.00 C ATOM 204 C ARG A 14 0.084 -4.879 -1.980 1.00 0.00 C ATOM 205 O ARG A 14 1.123 -4.353 -1.581 1.00 0.00 O ATOM 206 CB ARG A 14 0.266 -7.124 -3.067 1.00 0.00 C ATOM 207 CG ARG A 14 0.500 -8.606 -2.754 1.00 0.00 C ATOM 208 CD ARG A 14 1.004 -9.329 -4.007 1.00 0.00 C ATOM 209 NE ARG A 14 0.145 -9.024 -5.153 1.00 0.00 N ATOM 210 CZ ARG A 14 0.424 -8.027 -5.995 1.00 0.00 C ATOM 211 NH1 ARG A 14 1.473 -7.274 -5.802 1.00 0.00 N ATOM 212 NH2 ARG A 14 -0.362 -7.798 -7.011 1.00 0.00 N ATOM 0 H ARG A 14 -2.088 -7.043 -2.227 1.00 0.00 H new ATOM 0 HA ARG A 14 0.481 -6.692 -0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.514 -7.021 -3.821 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.172 -6.683 -3.483 1.00 0.00 H new ATOM 0 HG2 ARG A 14 1.227 -8.706 -1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.426 -9.064 -2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.029 -9.026 -4.222 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.020 -10.405 -3.832 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.689 -9.589 -5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 14 2.085 -7.446 -5.004 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.681 -6.514 -6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.186 -8.380 -7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.152 -7.037 -7.657 1.00 0.00 H new ATOM 226 N ILE A 15 -0.866 -4.191 -2.602 1.00 0.00 N ATOM 227 CA ILE A 15 -0.707 -2.763 -2.841 1.00 0.00 C ATOM 228 C ILE A 15 -0.614 -1.986 -1.533 1.00 0.00 C ATOM 229 O ILE A 15 -0.223 -0.819 -1.528 1.00 0.00 O ATOM 230 CB ILE A 15 -1.880 -2.248 -3.675 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.836 -2.903 -5.066 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.783 -0.725 -3.818 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.225 -2.857 -5.702 1.00 0.00 C ATOM 0 H ILE A 15 -1.740 -4.590 -2.945 1.00 0.00 H new ATOM 0 HA ILE A 15 0.225 -2.610 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.818 -2.500 -3.181 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.118 -2.384 -5.700 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.498 -3.936 -4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.621 -0.361 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.812 -0.264 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.847 -0.465 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.190 -3.322 -6.687 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.932 -3.396 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.545 -1.820 -5.802 1.00 0.00 H new ATOM 245 N ALA A 16 -0.984 -2.627 -0.425 1.00 0.00 N ATOM 246 CA ALA A 16 -0.945 -1.969 0.878 1.00 0.00 C ATOM 247 C ALA A 16 0.291 -2.367 1.672 1.00 0.00 C ATOM 248 O ALA A 16 0.657 -1.695 2.634 1.00 0.00 O ATOM 249 CB ALA A 16 -2.212 -2.293 1.664 1.00 0.00 C ATOM 0 H ALA A 16 -1.311 -3.593 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.893 -0.893 0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.175 -1.798 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.083 -1.942 1.111 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.285 -3.371 1.809 1.00 0.00 H new ATOM 255 N LEU A 17 0.950 -3.436 1.258 1.00 0.00 N ATOM 256 CA LEU A 17 2.164 -3.859 1.944 1.00 0.00 C ATOM 257 C LEU A 17 3.273 -2.871 1.592 1.00 0.00 C ATOM 258 O LEU A 17 4.161 -2.596 2.399 1.00 0.00 O ATOM 259 CB LEU A 17 2.548 -5.298 1.520 1.00 0.00 C ATOM 260 CG LEU A 17 2.139 -6.335 2.593 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.157 -6.327 3.745 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.720 -6.037 3.136 1.00 0.00 C ATOM 0 H LEU A 17 0.674 -4.018 0.467 1.00 0.00 H new ATOM 0 HA LEU A 17 2.008 -3.868 3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.063 -5.541 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.623 -5.353 1.350 1.00 0.00 H new ATOM 0 HG LEU A 17 2.128 -7.322 2.131 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.862 -7.060 4.496 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.145 -6.580 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.187 -5.336 4.197 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.455 -6.780 3.889 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.703 -5.044 3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.001 -6.078 2.318 1.00 0.00 H new ATOM 274 N ALA A 18 3.193 -2.334 0.380 1.00 0.00 N ATOM 275 CA ALA A 18 4.171 -1.365 -0.090 1.00 0.00 C ATOM 276 C ALA A 18 4.255 -0.190 0.877 1.00 0.00 C ATOM 277 O ALA A 18 5.342 0.282 1.195 1.00 0.00 O ATOM 278 CB ALA A 18 3.772 -0.874 -1.484 1.00 0.00 C ATOM 0 H ALA A 18 2.460 -2.555 -0.294 1.00 0.00 H new ATOM 0 HA ALA A 18 5.151 -1.840 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.504 -0.148 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.738 -1.719 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.789 -0.405 -1.437 1.00 0.00 H new ATOM 284 N ALA A 19 3.098 0.279 1.342 1.00 0.00 N ATOM 285 CA ALA A 19 3.067 1.404 2.283 1.00 0.00 C ATOM 286 C ALA A 19 4.205 1.265 3.300 1.00 0.00 C ATOM 287 O ALA A 19 4.791 2.256 3.733 1.00 0.00 O ATOM 288 CB ALA A 19 1.716 1.471 3.004 1.00 0.00 C ATOM 0 H ALA A 19 2.182 -0.093 1.090 1.00 0.00 H new ATOM 0 HA ALA A 19 3.201 2.329 1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.715 2.312 3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.919 1.603 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.552 0.546 3.556 1.00 0.00 H new ATOM 294 N ARG A 20 4.517 0.019 3.657 1.00 0.00 N ATOM 295 CA ARG A 20 5.593 -0.250 4.605 1.00 0.00 C ATOM 296 C ARG A 20 6.942 0.127 3.994 1.00 0.00 C ATOM 297 O ARG A 20 7.795 0.709 4.663 1.00 0.00 O ATOM 298 CB ARG A 20 5.600 -1.732 4.987 1.00 0.00 C ATOM 299 CG ARG A 20 6.592 -1.961 6.129 1.00 0.00 C ATOM 300 CD ARG A 20 6.646 -3.453 6.468 1.00 0.00 C ATOM 301 NE ARG A 20 7.579 -3.689 7.565 1.00 0.00 N ATOM 302 CZ ARG A 20 8.886 -3.813 7.346 1.00 0.00 C ATOM 303 NH1 ARG A 20 9.357 -3.712 6.136 1.00 0.00 N ATOM 304 NH2 ARG A 20 9.695 -4.034 8.345 1.00 0.00 N ATOM 0 H ARG A 20 4.043 -0.813 3.306 1.00 0.00 H new ATOM 0 HA ARG A 20 5.425 0.351 5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.601 -2.045 5.291 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.876 -2.339 4.125 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.582 -1.607 5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.291 -1.389 7.006 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.653 -3.806 6.744 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.954 -4.021 5.591 1.00 0.00 H new ATOM 0 HE ARG A 20 7.223 -3.760 8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.724 -3.538 5.355 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.359 -3.807 5.969 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.326 -4.112 9.293 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.697 -4.129 8.179 1.00 0.00 H new ATOM 318 N ALA A 21 7.127 -0.205 2.717 1.00 0.00 N ATOM 319 CA ALA A 21 8.374 0.108 2.022 1.00 0.00 C ATOM 320 C ALA A 21 8.672 1.589 2.111 1.00 0.00 C ATOM 321 O ALA A 21 9.730 2.047 1.676 1.00 0.00 O ATOM 322 CB ALA A 21 8.254 -0.247 0.543 1.00 0.00 C ATOM 0 H ALA A 21 6.433 -0.688 2.146 1.00 0.00 H new ATOM 0 HA ALA A 21 9.170 -0.468 2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.189 -0.010 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.045 -1.312 0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.442 0.327 0.096 1.00 0.00 H new ATOM 328 N LEU A 22 7.725 2.338 2.653 1.00 0.00 N ATOM 329 CA LEU A 22 7.861 3.779 2.779 1.00 0.00 C ATOM 330 C LEU A 22 7.878 4.158 4.266 1.00 0.00 C ATOM 331 O LEU A 22 7.254 3.479 5.081 1.00 0.00 O ATOM 332 CB LEU A 22 6.665 4.455 2.088 1.00 0.00 C ATOM 333 CG LEU A 22 6.289 3.720 0.783 1.00 0.00 C ATOM 334 CD1 LEU A 22 4.970 4.290 0.249 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.403 3.893 -0.268 1.00 0.00 C ATOM 0 H LEU A 22 6.847 1.967 3.015 1.00 0.00 H new ATOM 0 HA LEU A 22 8.789 4.108 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.809 4.465 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.909 5.494 1.867 1.00 0.00 H new ATOM 0 HG LEU A 22 6.172 2.656 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.698 3.776 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.184 4.145 0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.088 5.355 0.049 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.125 3.370 -1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.539 4.953 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.335 3.479 0.118 1.00 0.00 H new ATOM 347 N PRO A 23 8.562 5.211 4.644 1.00 0.00 N ATOM 348 CA PRO A 23 8.623 5.641 6.074 1.00 0.00 C ATOM 349 C PRO A 23 7.234 5.907 6.668 1.00 0.00 C ATOM 350 O PRO A 23 6.690 5.068 7.386 1.00 0.00 O ATOM 351 CB PRO A 23 9.485 6.921 6.050 1.00 0.00 C ATOM 352 CG PRO A 23 9.490 7.369 4.621 1.00 0.00 C ATOM 353 CD PRO A 23 9.354 6.102 3.779 1.00 0.00 C ATOM 0 HA PRO A 23 9.045 4.863 6.711 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.067 7.689 6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.497 6.720 6.403 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.667 8.057 4.425 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.412 7.899 4.382 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.850 6.299 2.833 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.326 5.671 3.538 1.00 0.00 H new ATOM 361 N GLY A 24 6.676 7.089 6.384 1.00 0.00 N ATOM 362 CA GLY A 24 5.360 7.464 6.920 1.00 0.00 C ATOM 363 C GLY A 24 4.315 7.654 5.822 1.00 0.00 C ATOM 364 O GLY A 24 3.202 8.103 6.096 1.00 0.00 O ATOM 0 H GLY A 24 7.109 7.798 5.792 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.020 6.693 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.454 8.387 7.492 1.00 0.00 H new ATOM 368 N THR A 25 4.658 7.311 4.584 1.00 0.00 N ATOM 369 CA THR A 25 3.705 7.461 3.488 1.00 0.00 C ATOM 370 C THR A 25 2.634 6.381 3.573 1.00 0.00 C ATOM 371 O THR A 25 2.940 5.192 3.659 1.00 0.00 O ATOM 372 CB THR A 25 4.415 7.374 2.137 1.00 0.00 C ATOM 373 OG1 THR A 25 5.504 8.288 2.116 1.00 0.00 O ATOM 374 CG2 THR A 25 3.428 7.721 1.022 1.00 0.00 C ATOM 0 H THR A 25 5.568 6.935 4.317 1.00 0.00 H new ATOM 0 HA THR A 25 3.237 8.442 3.575 1.00 0.00 H new ATOM 0 HB THR A 25 4.791 6.362 1.984 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.961 8.232 1.251 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.932 7.660 0.058 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.595 7.018 1.041 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.052 8.733 1.171 1.00 0.00 H new ATOM 382 N THR A 26 1.374 6.806 3.563 1.00 0.00 N ATOM 383 CA THR A 26 0.259 5.884 3.657 1.00 0.00 C ATOM 384 C THR A 26 0.000 5.198 2.313 1.00 0.00 C ATOM 385 O THR A 26 0.548 5.590 1.284 1.00 0.00 O ATOM 386 CB THR A 26 -0.989 6.664 4.122 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.577 7.894 4.699 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.759 5.859 5.166 1.00 0.00 C ATOM 0 H THR A 26 1.105 7.787 3.490 1.00 0.00 H new ATOM 0 HA THR A 26 0.494 5.103 4.380 1.00 0.00 H new ATOM 0 HB THR A 26 -1.636 6.845 3.264 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.365 8.396 4.995 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.637 6.422 5.485 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.074 4.909 4.733 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.117 5.670 6.026 1.00 0.00 H new ATOM 396 N VAL A 27 -0.830 4.165 2.351 1.00 0.00 N ATOM 397 CA VAL A 27 -1.160 3.404 1.152 1.00 0.00 C ATOM 398 C VAL A 27 -1.847 4.281 0.114 1.00 0.00 C ATOM 399 O VAL A 27 -1.355 4.445 -1.004 1.00 0.00 O ATOM 400 CB VAL A 27 -2.101 2.245 1.502 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.265 1.342 0.279 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.540 1.421 2.671 1.00 0.00 C ATOM 0 H VAL A 27 -1.288 3.834 3.200 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.225 3.023 0.741 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.066 2.656 1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.933 0.516 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.686 1.918 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.292 0.947 -0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.224 0.604 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.568 1.013 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.430 2.060 3.547 1.00 0.00 H new ATOM 412 N GLY A 28 -2.999 4.822 0.486 1.00 0.00 N ATOM 413 CA GLY A 28 -3.769 5.659 -0.422 1.00 0.00 C ATOM 414 C GLY A 28 -3.114 7.017 -0.644 1.00 0.00 C ATOM 415 O GLY A 28 -3.728 7.912 -1.225 1.00 0.00 O ATOM 0 H GLY A 28 -3.419 4.697 1.407 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.879 5.149 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.772 5.802 -0.020 1.00 0.00 H new ATOM 419 N GLN A 29 -1.870 7.182 -0.188 1.00 0.00 N ATOM 420 CA GLN A 29 -1.174 8.458 -0.364 1.00 0.00 C ATOM 421 C GLN A 29 -0.237 8.391 -1.566 1.00 0.00 C ATOM 422 O GLN A 29 0.086 9.416 -2.165 1.00 0.00 O ATOM 423 CB GLN A 29 -0.372 8.798 0.901 1.00 0.00 C ATOM 424 CG GLN A 29 -1.306 9.383 1.966 1.00 0.00 C ATOM 425 CD GLN A 29 -1.706 10.805 1.585 1.00 0.00 C ATOM 426 OE1 GLN A 29 -0.845 11.655 1.359 1.00 0.00 O ATOM 427 NE2 GLN A 29 -2.971 11.116 1.502 1.00 0.00 N ATOM 0 H GLN A 29 -1.333 6.463 0.297 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.916 9.237 -0.539 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.116 7.902 1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.415 9.513 0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.195 8.760 2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.809 9.384 2.936 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.683 10.410 1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.247 12.065 1.249 1.00 0.00 H new ATOM 436 N LEU A 30 0.204 7.182 -1.911 1.00 0.00 N ATOM 437 CA LEU A 30 1.119 7.001 -3.039 1.00 0.00 C ATOM 438 C LEU A 30 0.368 6.643 -4.320 1.00 0.00 C ATOM 439 O LEU A 30 0.918 6.760 -5.415 1.00 0.00 O ATOM 440 CB LEU A 30 2.132 5.895 -2.704 1.00 0.00 C ATOM 441 CG LEU A 30 3.208 5.775 -3.822 1.00 0.00 C ATOM 442 CD1 LEU A 30 4.589 5.517 -3.204 1.00 0.00 C ATOM 443 CD2 LEU A 30 2.869 4.611 -4.772 1.00 0.00 C ATOM 0 H LEU A 30 -0.054 6.320 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 30 1.639 7.944 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.614 6.113 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.613 4.943 -2.588 1.00 0.00 H new ATOM 0 HG LEU A 30 3.221 6.711 -4.380 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.333 5.435 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.852 6.343 -2.543 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.564 4.589 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.631 4.541 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.838 3.679 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.897 4.789 -5.233 1.00 0.00 H new ATOM 455 N LEU A 31 -0.879 6.194 -4.190 1.00 0.00 N ATOM 456 CA LEU A 31 -1.676 5.811 -5.359 1.00 0.00 C ATOM 457 C LEU A 31 -2.456 7.013 -5.903 1.00 0.00 C ATOM 458 O LEU A 31 -2.462 7.272 -7.106 1.00 0.00 O ATOM 459 CB LEU A 31 -2.652 4.691 -4.947 1.00 0.00 C ATOM 460 CG LEU A 31 -2.987 3.787 -6.142 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.950 2.687 -5.684 1.00 0.00 C ATOM 462 CD2 LEU A 31 -3.643 4.615 -7.258 1.00 0.00 C ATOM 0 H LEU A 31 -1.358 6.086 -3.296 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.012 5.457 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.211 4.095 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.568 5.129 -4.550 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.071 3.339 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.192 2.041 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.480 2.096 -4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.864 3.140 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.878 3.967 -8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.560 5.069 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.957 5.398 -7.581 1.00 0.00 H new ATOM 474 N GLU A 32 -3.112 7.740 -5.005 1.00 0.00 N ATOM 475 CA GLU A 32 -3.899 8.909 -5.396 1.00 0.00 C ATOM 476 C GLU A 32 -3.148 9.773 -6.411 1.00 0.00 C ATOM 477 O GLU A 32 -3.763 10.514 -7.176 1.00 0.00 O ATOM 478 CB GLU A 32 -4.231 9.749 -4.157 1.00 0.00 C ATOM 479 CG GLU A 32 -5.307 9.043 -3.325 1.00 0.00 C ATOM 480 CD GLU A 32 -6.671 9.219 -3.982 1.00 0.00 C ATOM 481 OE1 GLU A 32 -6.729 9.862 -5.017 1.00 0.00 O ATOM 482 OE2 GLU A 32 -7.638 8.708 -3.441 1.00 0.00 O ATOM 0 H GLU A 32 -3.116 7.543 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.818 8.555 -5.862 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.334 9.899 -3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.581 10.736 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.071 7.983 -3.235 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.325 9.453 -2.315 1.00 0.00 H new ATOM 489 N ILE A 33 -1.823 9.683 -6.405 1.00 0.00 N ATOM 490 CA ILE A 33 -1.008 10.476 -7.322 1.00 0.00 C ATOM 491 C ILE A 33 -1.514 10.363 -8.760 1.00 0.00 C ATOM 492 O ILE A 33 -1.423 11.317 -9.532 1.00 0.00 O ATOM 493 CB ILE A 33 0.451 10.020 -7.250 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.891 9.915 -5.782 1.00 0.00 C ATOM 495 CG2 ILE A 33 1.339 11.030 -7.981 1.00 0.00 C ATOM 496 CD1 ILE A 33 0.546 11.206 -5.029 1.00 0.00 C ATOM 0 H ILE A 33 -1.292 9.075 -5.782 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.082 11.520 -7.018 1.00 0.00 H new ATOM 0 HB ILE A 33 0.546 9.043 -7.724 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.398 9.066 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.964 9.731 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.378 10.705 -7.930 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.031 11.097 -9.024 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.241 12.008 -7.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.864 11.117 -3.990 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.059 12.047 -5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.531 11.372 -5.066 1.00 0.00 H new ATOM 508 N LEU A 34 -2.048 9.200 -9.119 1.00 0.00 N ATOM 509 CA LEU A 34 -2.559 9.001 -10.471 1.00 0.00 C ATOM 510 C LEU A 34 -3.607 10.064 -10.796 1.00 0.00 C ATOM 511 O LEU A 34 -3.968 10.264 -11.955 1.00 0.00 O ATOM 512 CB LEU A 34 -3.174 7.603 -10.599 1.00 0.00 C ATOM 513 CG LEU A 34 -3.379 7.240 -12.084 1.00 0.00 C ATOM 514 CD1 LEU A 34 -2.020 7.062 -12.795 1.00 0.00 C ATOM 515 CD2 LEU A 34 -4.187 5.937 -12.177 1.00 0.00 C ATOM 0 H LEU A 34 -2.138 8.392 -8.503 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.733 9.091 -11.177 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.524 6.868 -10.125 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.129 7.569 -10.075 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.920 8.049 -12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.187 6.806 -13.841 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.453 7.991 -12.735 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.458 6.263 -12.312 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.335 5.675 -13.225 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.644 5.136 -11.676 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.156 6.075 -11.697 1.00 0.00 H new ATOM 527 N HIS A 35 -4.089 10.743 -9.760 1.00 0.00 N ATOM 528 CA HIS A 35 -5.095 11.783 -9.940 1.00 0.00 C ATOM 529 C HIS A 35 -6.381 11.188 -10.509 1.00 0.00 C ATOM 530 O HIS A 35 -6.917 10.221 -9.968 1.00 0.00 O ATOM 531 CB HIS A 35 -4.561 12.875 -10.876 1.00 0.00 C ATOM 532 CG HIS A 35 -5.414 14.111 -10.754 1.00 0.00 C ATOM 533 ND1 HIS A 35 -6.741 14.340 -11.022 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 -4.905 15.320 -10.304 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 -7.053 15.667 -10.743 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 -5.913 16.213 -10.315 1.00 0.00 N flip ATOM 0 H HIS A 35 -3.801 10.593 -8.793 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.316 12.225 -8.969 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.527 13.109 -10.624 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.566 12.519 -11.906 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.886 15.511 -10.000 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.012 16.151 -10.850 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -5.817 17.188 -10.031 1.00 0.00 H new ATOM 545 N GLN A 36 -6.873 11.770 -11.600 1.00 0.00 N ATOM 546 CA GLN A 36 -8.099 11.286 -12.224 1.00 0.00 C ATOM 547 C GLN A 36 -9.224 11.207 -11.197 1.00 0.00 C ATOM 548 O GLN A 36 -9.248 10.311 -10.354 1.00 0.00 O ATOM 549 CB GLN A 36 -7.871 9.904 -12.838 1.00 0.00 C ATOM 550 CG GLN A 36 -6.834 10.005 -13.958 1.00 0.00 C ATOM 551 CD GLN A 36 -7.399 10.811 -15.124 1.00 0.00 C ATOM 552 OE1 GLN A 36 -7.225 12.028 -15.182 1.00 0.00 O ATOM 553 NE2 GLN A 36 -8.071 10.201 -16.062 1.00 0.00 N ATOM 0 H GLN A 36 -6.445 12.570 -12.066 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.382 11.986 -13.010 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.528 9.207 -12.073 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.808 9.510 -13.231 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.927 10.480 -13.583 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.555 9.007 -14.297 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.215 9.192 -16.013 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.453 10.733 -16.844 1.00 0.00 H new ATOM 562 N ARG A 37 -10.151 12.153 -11.273 1.00 0.00 N ATOM 563 CA ARG A 37 -11.275 12.187 -10.345 1.00 0.00 C ATOM 564 C ARG A 37 -11.944 10.819 -10.250 1.00 0.00 C ATOM 565 O ARG A 37 -11.952 10.195 -9.189 1.00 0.00 O ATOM 566 CB ARG A 37 -12.294 13.225 -10.813 1.00 0.00 C ATOM 567 CG ARG A 37 -11.653 14.617 -10.781 1.00 0.00 C ATOM 568 CD ARG A 37 -12.672 15.664 -11.237 1.00 0.00 C ATOM 569 NE ARG A 37 -13.448 15.157 -12.363 1.00 0.00 N ATOM 570 CZ ARG A 37 -14.642 15.656 -12.657 1.00 0.00 C ATOM 571 NH1 ARG A 37 -15.141 16.620 -11.934 1.00 0.00 N ATOM 572 NH2 ARG A 37 -15.319 15.180 -13.666 1.00 0.00 N ATOM 0 H ARG A 37 -10.148 12.904 -11.964 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.900 12.457 -9.358 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.631 12.991 -11.823 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.174 13.203 -10.170 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.308 14.846 -9.773 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.778 14.640 -11.430 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.338 15.917 -10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.158 16.581 -11.524 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.066 14.404 -12.936 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.614 16.990 -11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.059 17.004 -12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.931 14.424 -14.229 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.237 15.564 -13.891 1.00 0.00 H new ATOM 586 N ILE A 38 -12.509 10.361 -11.364 1.00 0.00 N ATOM 587 CA ILE A 38 -13.185 9.065 -11.391 1.00 0.00 C ATOM 588 C ILE A 38 -12.334 7.996 -10.715 1.00 0.00 C ATOM 589 O ILE A 38 -11.107 8.014 -10.807 1.00 0.00 O ATOM 590 CB ILE A 38 -13.480 8.655 -12.836 1.00 0.00 C ATOM 591 CG1 ILE A 38 -14.356 7.400 -12.836 1.00 0.00 C ATOM 592 CG2 ILE A 38 -12.167 8.363 -13.567 1.00 0.00 C ATOM 593 CD1 ILE A 38 -14.866 7.134 -14.254 1.00 0.00 C ATOM 0 H ILE A 38 -12.513 10.862 -12.253 1.00 0.00 H new ATOM 0 HA ILE A 38 -14.123 9.159 -10.845 1.00 0.00 H new ATOM 0 HB ILE A 38 -14.002 9.466 -13.345 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.784 6.544 -12.477 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -15.196 7.530 -12.154 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.380 8.071 -14.595 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -11.543 9.257 -13.565 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -11.642 7.553 -13.062 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -15.490 6.240 -14.255 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -15.453 7.987 -14.595 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -14.019 6.985 -14.923 1.00 0.00 H new ATOM 605 N GLU A 39 -12.997 7.073 -10.026 1.00 0.00 N ATOM 606 CA GLU A 39 -12.297 6.002 -9.325 1.00 0.00 C ATOM 607 C GLU A 39 -11.889 4.891 -10.290 1.00 0.00 C ATOM 608 O GLU A 39 -10.721 4.773 -10.658 1.00 0.00 O ATOM 609 CB GLU A 39 -13.193 5.424 -8.226 1.00 0.00 C ATOM 610 CG GLU A 39 -13.885 6.562 -7.471 1.00 0.00 C ATOM 611 CD GLU A 39 -14.777 5.992 -6.375 1.00 0.00 C ATOM 612 OE1 GLU A 39 -14.239 5.463 -5.415 1.00 0.00 O ATOM 613 OE2 GLU A 39 -15.986 6.088 -6.512 1.00 0.00 O ATOM 0 H GLU A 39 -14.013 7.044 -9.938 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.395 6.421 -8.879 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.938 4.759 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.598 4.826 -7.536 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.139 7.227 -7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.480 7.159 -8.162 1.00 0.00 H new ATOM 620 N GLY A 40 -12.858 4.071 -10.688 1.00 0.00 N ATOM 621 CA GLY A 40 -12.584 2.967 -11.600 1.00 0.00 C ATOM 622 C GLY A 40 -11.749 1.892 -10.906 1.00 0.00 C ATOM 623 O GLY A 40 -11.117 2.154 -9.884 1.00 0.00 O ATOM 0 H GLY A 40 -13.832 4.150 -10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.522 2.537 -11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.054 3.336 -12.478 1.00 0.00 H new ATOM 627 N PRO A 41 -11.731 0.696 -11.438 1.00 0.00 N ATOM 628 CA PRO A 41 -10.951 -0.436 -10.851 1.00 0.00 C ATOM 629 C PRO A 41 -9.452 -0.301 -11.124 1.00 0.00 C ATOM 630 O PRO A 41 -9.037 -0.119 -12.268 1.00 0.00 O ATOM 631 CB PRO A 41 -11.533 -1.665 -11.561 1.00 0.00 C ATOM 632 CG PRO A 41 -11.966 -1.151 -12.896 1.00 0.00 C ATOM 633 CD PRO A 41 -12.451 0.283 -12.658 1.00 0.00 C ATOM 0 HA PRO A 41 -11.034 -0.483 -9.765 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.789 -2.455 -11.661 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -12.372 -2.085 -11.006 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.141 -1.171 -13.608 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.762 -1.768 -13.313 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.214 0.931 -13.502 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.531 0.323 -12.519 1.00 0.00 H new ATOM 641 N LEU A 42 -8.647 -0.401 -10.067 1.00 0.00 N ATOM 642 CA LEU A 42 -7.195 -0.297 -10.208 1.00 0.00 C ATOM 643 C LEU A 42 -6.603 -1.666 -10.533 1.00 0.00 C ATOM 644 O LEU A 42 -6.325 -2.462 -9.637 1.00 0.00 O ATOM 645 CB LEU A 42 -6.578 0.237 -8.907 1.00 0.00 C ATOM 646 CG LEU A 42 -6.807 1.755 -8.787 1.00 0.00 C ATOM 647 CD1 LEU A 42 -5.973 2.521 -9.835 1.00 0.00 C ATOM 648 CD2 LEU A 42 -8.297 2.064 -8.984 1.00 0.00 C ATOM 0 H LEU A 42 -8.971 -0.553 -9.112 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.969 0.393 -11.021 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.021 -0.273 -8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.510 0.021 -8.889 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.491 2.078 -7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.152 3.591 -9.731 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.914 2.313 -9.680 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.263 2.201 -10.836 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.460 3.138 -8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.611 1.726 -9.972 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.880 1.547 -8.221 1.00 0.00 H new ATOM 660 N THR A 43 -6.419 -1.934 -11.823 1.00 0.00 N ATOM 661 CA THR A 43 -5.867 -3.215 -12.260 1.00 0.00 C ATOM 662 C THR A 43 -4.346 -3.219 -12.156 1.00 0.00 C ATOM 663 O THR A 43 -3.739 -2.259 -11.682 1.00 0.00 O ATOM 664 CB THR A 43 -6.272 -3.497 -13.710 1.00 0.00 C ATOM 665 OG1 THR A 43 -5.343 -2.874 -14.585 1.00 0.00 O ATOM 666 CG2 THR A 43 -7.672 -2.942 -13.975 1.00 0.00 C ATOM 0 H THR A 43 -6.642 -1.287 -12.580 1.00 0.00 H new ATOM 0 HA THR A 43 -6.267 -3.991 -11.608 1.00 0.00 H new ATOM 0 HB THR A 43 -6.275 -4.573 -13.882 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.489 -1.905 -14.581 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.955 -3.146 -15.008 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.386 -3.419 -13.303 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.675 -1.866 -13.803 1.00 0.00 H new ATOM 674 N GLU A 44 -3.742 -4.313 -12.608 1.00 0.00 N ATOM 675 CA GLU A 44 -2.290 -4.451 -12.573 1.00 0.00 C ATOM 676 C GLU A 44 -1.649 -3.610 -13.672 1.00 0.00 C ATOM 677 O GLU A 44 -0.496 -3.195 -13.556 1.00 0.00 O ATOM 678 CB GLU A 44 -1.911 -5.924 -12.760 1.00 0.00 C ATOM 679 CG GLU A 44 -0.393 -6.060 -12.901 1.00 0.00 C ATOM 680 CD GLU A 44 0.012 -7.524 -12.766 1.00 0.00 C ATOM 681 OE1 GLU A 44 -0.860 -8.338 -12.509 1.00 0.00 O ATOM 682 OE2 GLU A 44 1.188 -7.810 -12.919 1.00 0.00 O ATOM 0 H GLU A 44 -4.234 -5.115 -13.002 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.925 -4.100 -11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.259 -6.509 -11.908 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.404 -6.325 -13.645 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.073 -5.673 -13.868 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.107 -5.464 -12.138 1.00 0.00 H new ATOM 689 N GLU A 45 -2.405 -3.365 -14.739 1.00 0.00 N ATOM 690 CA GLU A 45 -1.903 -2.575 -15.858 1.00 0.00 C ATOM 691 C GLU A 45 -2.035 -1.085 -15.561 1.00 0.00 C ATOM 692 O GLU A 45 -1.202 -0.281 -15.979 1.00 0.00 O ATOM 693 CB GLU A 45 -2.688 -2.913 -17.128 1.00 0.00 C ATOM 694 CG GLU A 45 -1.937 -2.382 -18.353 1.00 0.00 C ATOM 695 CD GLU A 45 -2.647 -2.817 -19.631 1.00 0.00 C ATOM 696 OE1 GLU A 45 -3.792 -2.435 -19.810 1.00 0.00 O ATOM 697 OE2 GLU A 45 -2.033 -3.524 -20.413 1.00 0.00 O ATOM 0 H GLU A 45 -3.362 -3.700 -14.852 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.850 -2.815 -16.006 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.820 -3.992 -17.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.684 -2.472 -17.080 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.880 -1.294 -18.311 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.913 -2.755 -18.352 1.00 0.00 H new ATOM 704 N SER A 46 -3.089 -0.726 -14.837 1.00 0.00 N ATOM 705 CA SER A 46 -3.327 0.669 -14.486 1.00 0.00 C ATOM 706 C SER A 46 -2.116 1.254 -13.765 1.00 0.00 C ATOM 707 O SER A 46 -1.665 2.354 -14.082 1.00 0.00 O ATOM 708 CB SER A 46 -4.558 0.775 -13.585 1.00 0.00 C ATOM 709 OG SER A 46 -5.608 -0.011 -14.131 1.00 0.00 O ATOM 0 H SER A 46 -3.789 -1.378 -14.483 1.00 0.00 H new ATOM 0 HA SER A 46 -3.497 1.232 -15.404 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.317 0.432 -12.579 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.873 1.815 -13.501 1.00 0.00 H new ATOM 0 HG SER A 46 -6.466 0.288 -13.763 1.00 0.00 H new ATOM 715 N LEU A 47 -1.600 0.513 -12.793 1.00 0.00 N ATOM 716 CA LEU A 47 -0.444 0.967 -12.028 1.00 0.00 C ATOM 717 C LEU A 47 0.764 1.166 -12.942 1.00 0.00 C ATOM 718 O LEU A 47 1.559 2.083 -12.742 1.00 0.00 O ATOM 719 CB LEU A 47 -0.105 -0.058 -10.939 1.00 0.00 C ATOM 720 CG LEU A 47 -1.153 0.000 -9.804 1.00 0.00 C ATOM 721 CD1 LEU A 47 -1.213 -1.352 -9.086 1.00 0.00 C ATOM 722 CD2 LEU A 47 -0.772 1.086 -8.786 1.00 0.00 C ATOM 0 H LEU A 47 -1.960 -0.400 -12.516 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.690 1.922 -11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.079 -1.060 -11.368 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.888 0.143 -10.537 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.125 0.234 -10.239 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.953 -1.307 -8.287 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.494 -2.129 -9.797 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.235 -1.583 -8.663 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.517 1.117 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.204 0.858 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.732 2.054 -9.285 1.00 0.00 H new ATOM 734 N GLN A 48 0.895 0.302 -13.945 1.00 0.00 N ATOM 735 CA GLN A 48 2.012 0.399 -14.881 1.00 0.00 C ATOM 736 C GLN A 48 1.736 1.468 -15.930 1.00 0.00 C ATOM 737 O GLN A 48 1.487 1.159 -17.094 1.00 0.00 O ATOM 738 CB GLN A 48 2.237 -0.946 -15.571 1.00 0.00 C ATOM 739 CG GLN A 48 2.438 -2.031 -14.513 1.00 0.00 C ATOM 740 CD GLN A 48 2.495 -3.403 -15.175 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.417 -3.687 -15.940 1.00 0.00 O ATOM 742 NE2 GLN A 48 1.559 -4.275 -14.924 1.00 0.00 N ATOM 0 H GLN A 48 0.249 -0.466 -14.130 1.00 0.00 H new ATOM 0 HA GLN A 48 2.907 0.673 -14.322 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.383 -1.191 -16.202 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.109 -0.892 -16.223 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.360 -1.846 -13.962 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.623 -2.001 -13.790 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.797 -4.037 -14.290 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.589 -5.196 -15.362 1.00 0.00 H new ATOM 751 N GLY A 49 1.786 2.727 -15.509 1.00 0.00 N ATOM 752 CA GLY A 49 1.541 3.842 -16.420 1.00 0.00 C ATOM 753 C GLY A 49 2.257 5.096 -15.941 1.00 0.00 C ATOM 754 O GLY A 49 2.184 6.147 -16.577 1.00 0.00 O ATOM 0 H GLY A 49 1.993 3.001 -14.549 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.884 3.582 -17.421 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.470 4.033 -16.489 1.00 0.00 H new ATOM 758 N VAL A 50 2.957 4.977 -14.811 1.00 0.00 N ATOM 759 CA VAL A 50 3.699 6.105 -14.236 1.00 0.00 C ATOM 760 C VAL A 50 5.173 5.721 -14.073 1.00 0.00 C ATOM 761 O VAL A 50 5.553 4.581 -14.335 1.00 0.00 O ATOM 762 CB VAL A 50 3.054 6.498 -12.875 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.756 5.808 -11.691 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.122 8.020 -12.681 1.00 0.00 C ATOM 0 H VAL A 50 3.027 4.112 -14.275 1.00 0.00 H new ATOM 0 HA VAL A 50 3.651 6.969 -14.899 1.00 0.00 H new ATOM 0 HB VAL A 50 2.015 6.168 -12.899 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.277 6.108 -10.759 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.683 4.726 -11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.806 6.101 -11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.668 8.286 -11.726 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.163 8.342 -12.690 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.583 8.514 -13.489 1.00 0.00 H new ATOM 774 N SER A 51 6.000 6.672 -13.637 1.00 0.00 N ATOM 775 CA SER A 51 7.429 6.417 -13.433 1.00 0.00 C ATOM 776 C SER A 51 7.750 6.601 -11.959 1.00 0.00 C ATOM 777 O SER A 51 6.965 7.208 -11.243 1.00 0.00 O ATOM 778 CB SER A 51 8.263 7.388 -14.269 1.00 0.00 C ATOM 779 OG SER A 51 8.121 7.062 -15.646 1.00 0.00 O ATOM 0 H SER A 51 5.707 7.624 -13.418 1.00 0.00 H new ATOM 0 HA SER A 51 7.668 5.400 -13.743 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.937 8.413 -14.090 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.311 7.331 -13.976 1.00 0.00 H new ATOM 0 HG SER A 51 8.653 7.683 -16.186 1.00 0.00 H new ATOM 785 N VAL A 52 8.894 6.087 -11.510 1.00 0.00 N ATOM 786 CA VAL A 52 9.274 6.217 -10.103 1.00 0.00 C ATOM 787 C VAL A 52 9.294 7.691 -9.675 1.00 0.00 C ATOM 788 O VAL A 52 8.832 8.036 -8.587 1.00 0.00 O ATOM 789 CB VAL A 52 10.655 5.564 -9.865 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.337 6.169 -8.628 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.477 4.056 -9.642 1.00 0.00 C ATOM 0 H VAL A 52 9.566 5.584 -12.090 1.00 0.00 H new ATOM 0 HA VAL A 52 8.531 5.701 -9.495 1.00 0.00 H new ATOM 0 HB VAL A 52 11.277 5.747 -10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.307 5.695 -8.479 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.475 7.240 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.713 6.002 -7.750 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.451 3.596 -9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.842 3.889 -8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.012 3.611 -10.521 1.00 0.00 H new ATOM 801 N THR A 53 9.856 8.545 -10.519 1.00 0.00 N ATOM 802 CA THR A 53 9.959 9.967 -10.203 1.00 0.00 C ATOM 803 C THR A 53 8.590 10.585 -9.902 1.00 0.00 C ATOM 804 O THR A 53 8.507 11.590 -9.213 1.00 0.00 O ATOM 805 CB THR A 53 10.621 10.709 -11.376 1.00 0.00 C ATOM 806 OG1 THR A 53 12.022 10.474 -11.346 1.00 0.00 O ATOM 807 CG2 THR A 53 10.356 12.217 -11.270 1.00 0.00 C ATOM 0 H THR A 53 10.246 8.282 -11.424 1.00 0.00 H new ATOM 0 HA THR A 53 10.570 10.068 -9.306 1.00 0.00 H new ATOM 0 HB THR A 53 10.201 10.342 -12.312 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.449 10.944 -12.093 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.831 12.730 -12.107 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.282 12.400 -11.294 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.767 12.594 -10.334 1.00 0.00 H new ATOM 815 N ASP A 54 7.531 10.004 -10.426 1.00 0.00 N ATOM 816 CA ASP A 54 6.197 10.548 -10.199 1.00 0.00 C ATOM 817 C ASP A 54 5.720 10.258 -8.777 1.00 0.00 C ATOM 818 O ASP A 54 4.942 11.019 -8.203 1.00 0.00 O ATOM 819 CB ASP A 54 5.214 9.938 -11.189 1.00 0.00 C ATOM 820 CG ASP A 54 3.861 10.632 -11.075 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.156 10.358 -10.117 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.550 11.428 -11.945 1.00 0.00 O ATOM 0 H ASP A 54 7.560 9.165 -11.006 1.00 0.00 H new ATOM 0 HA ASP A 54 6.245 11.628 -10.339 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.599 10.037 -12.204 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.103 8.872 -10.993 1.00 0.00 H new ATOM 827 N LEU A 55 6.157 9.129 -8.238 1.00 0.00 N ATOM 828 CA LEU A 55 5.740 8.705 -6.900 1.00 0.00 C ATOM 829 C LEU A 55 6.231 9.657 -5.808 1.00 0.00 C ATOM 830 O LEU A 55 5.426 10.286 -5.128 1.00 0.00 O ATOM 831 CB LEU A 55 6.265 7.294 -6.595 1.00 0.00 C ATOM 832 CG LEU A 55 5.558 6.248 -7.477 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.826 6.543 -8.953 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.098 4.853 -7.127 1.00 0.00 C ATOM 0 H LEU A 55 6.800 8.487 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 55 4.650 8.713 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.341 7.255 -6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.103 7.060 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 55 4.484 6.287 -7.297 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.323 5.799 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.448 7.535 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.899 6.506 -9.143 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.603 4.105 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.172 4.822 -7.310 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.902 4.640 -6.076 1.00 0.00 H new ATOM 846 N LYS A 56 7.550 9.735 -5.622 1.00 0.00 N ATOM 847 CA LYS A 56 8.119 10.588 -4.571 1.00 0.00 C ATOM 848 C LYS A 56 7.628 12.034 -4.655 1.00 0.00 C ATOM 849 O LYS A 56 7.413 12.681 -3.630 1.00 0.00 O ATOM 850 CB LYS A 56 9.647 10.570 -4.654 1.00 0.00 C ATOM 851 CG LYS A 56 10.235 11.548 -3.634 1.00 0.00 C ATOM 852 CD LYS A 56 11.713 11.221 -3.376 1.00 0.00 C ATOM 853 CE LYS A 56 12.448 11.042 -4.707 1.00 0.00 C ATOM 854 NZ LYS A 56 13.918 11.140 -4.483 1.00 0.00 N ATOM 0 H LYS A 56 8.239 9.226 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 56 7.784 10.180 -3.617 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.019 9.563 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.969 10.842 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.140 12.570 -4.002 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.674 11.492 -2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.176 12.022 -2.800 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.795 10.312 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.200 10.075 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.126 11.804 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.336 11.772 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.100 11.521 -3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.345 10.195 -4.565 1.00 0.00 H new ATOM 868 N ILE A 57 7.463 12.541 -5.865 1.00 0.00 N ATOM 869 CA ILE A 57 7.011 13.918 -6.044 1.00 0.00 C ATOM 870 C ILE A 57 5.508 14.007 -5.813 1.00 0.00 C ATOM 871 O ILE A 57 4.962 15.086 -5.591 1.00 0.00 O ATOM 872 CB ILE A 57 7.382 14.419 -7.451 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.484 13.741 -8.497 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.852 14.072 -7.723 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.900 14.148 -9.918 1.00 0.00 C ATOM 0 H ILE A 57 7.632 12.030 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 57 7.509 14.556 -5.314 1.00 0.00 H new ATOM 0 HB ILE A 57 7.238 15.498 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.548 12.658 -8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.444 14.018 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.130 14.421 -8.717 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.484 14.556 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.987 12.992 -7.667 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.251 13.656 -10.642 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.812 15.229 -10.027 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.933 13.848 -10.095 1.00 0.00 H new ATOM 887 N GLY A 58 4.845 12.857 -5.878 1.00 0.00 N ATOM 888 CA GLY A 58 3.403 12.801 -5.683 1.00 0.00 C ATOM 889 C GLY A 58 3.021 13.160 -4.248 1.00 0.00 C ATOM 890 O GLY A 58 2.015 13.831 -4.017 1.00 0.00 O ATOM 0 H GLY A 58 5.283 11.955 -6.064 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.914 13.487 -6.374 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.041 11.800 -5.918 1.00 0.00 H new ATOM 894 N LEU A 59 3.824 12.708 -3.288 1.00 0.00 N ATOM 895 CA LEU A 59 3.545 12.992 -1.884 1.00 0.00 C ATOM 896 C LEU A 59 3.862 14.446 -1.568 1.00 0.00 C ATOM 897 O LEU A 59 2.993 15.189 -1.112 1.00 0.00 O ATOM 898 CB LEU A 59 4.372 12.080 -0.965 1.00 0.00 C ATOM 899 CG LEU A 59 4.075 10.591 -1.236 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.564 10.322 -1.161 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.612 10.175 -2.621 1.00 0.00 C ATOM 0 H LEU A 59 4.662 12.151 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 59 2.486 12.803 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.434 12.274 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.151 12.313 0.077 1.00 0.00 H new ATOM 0 HG LEU A 59 4.578 9.999 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.372 9.267 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.197 10.581 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.049 10.927 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.393 9.121 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.133 10.777 -3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.690 10.332 -2.655 1.00 0.00 H new ATOM 913 N ALA A 60 5.100 14.858 -1.821 1.00 0.00 N ATOM 914 CA ALA A 60 5.489 16.237 -1.563 1.00 0.00 C ATOM 915 C ALA A 60 4.810 17.154 -2.573 1.00 0.00 C ATOM 916 O ALA A 60 4.413 18.272 -2.244 1.00 0.00 O ATOM 917 CB ALA A 60 7.009 16.383 -1.665 1.00 0.00 C ATOM 0 H ALA A 60 5.840 14.266 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 60 5.178 16.515 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.289 17.418 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.487 15.734 -0.931 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.335 16.101 -2.666 1.00 0.00 H new ATOM 923 N GLY A 61 4.665 16.661 -3.805 1.00 0.00 N ATOM 924 CA GLY A 61 4.012 17.432 -4.866 1.00 0.00 C ATOM 925 C GLY A 61 5.024 18.008 -5.853 1.00 0.00 C ATOM 926 O GLY A 61 4.734 18.128 -7.044 1.00 0.00 O ATOM 0 H GLY A 61 4.989 15.737 -4.092 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.308 16.793 -5.399 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.434 18.243 -4.423 1.00 0.00 H new ATOM 930 N SER A 62 6.209 18.374 -5.360 1.00 0.00 N ATOM 931 CA SER A 62 7.245 18.946 -6.227 1.00 0.00 C ATOM 932 C SER A 62 8.609 18.350 -5.920 1.00 0.00 C ATOM 933 O SER A 62 9.058 18.351 -4.776 1.00 0.00 O ATOM 934 CB SER A 62 7.300 20.462 -6.039 1.00 0.00 C ATOM 935 OG SER A 62 6.070 21.033 -6.463 1.00 0.00 O ATOM 0 H SER A 62 6.474 18.287 -4.379 1.00 0.00 H new ATOM 0 HA SER A 62 6.989 18.710 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.485 20.704 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.126 20.881 -6.613 1.00 0.00 H new ATOM 0 HG SER A 62 6.102 22.005 -6.342 1.00 0.00 H new ATOM 941 N GLU A 63 9.268 17.858 -6.964 1.00 0.00 N ATOM 942 CA GLU A 63 10.589 17.267 -6.815 1.00 0.00 C ATOM 943 C GLU A 63 11.562 18.280 -6.224 1.00 0.00 C ATOM 944 O GLU A 63 12.732 17.975 -5.997 1.00 0.00 O ATOM 945 CB GLU A 63 11.102 16.786 -8.179 1.00 0.00 C ATOM 946 CG GLU A 63 12.211 15.745 -7.987 1.00 0.00 C ATOM 947 CD GLU A 63 12.681 15.229 -9.343 1.00 0.00 C ATOM 948 OE1 GLU A 63 11.839 15.030 -10.203 1.00 0.00 O ATOM 949 OE2 GLU A 63 13.876 15.040 -9.500 1.00 0.00 O ATOM 0 H GLU A 63 8.909 17.858 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 63 10.516 16.416 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.282 16.354 -8.753 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.482 17.632 -8.752 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.048 16.188 -7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.843 14.917 -7.381 1.00 0.00 H new ATOM 956 N GLU A 64 11.072 19.485 -5.971 1.00 0.00 N ATOM 957 CA GLU A 64 11.910 20.527 -5.403 1.00 0.00 C ATOM 958 C GLU A 64 12.069 20.336 -3.898 1.00 0.00 C ATOM 959 O GLU A 64 13.171 20.471 -3.365 1.00 0.00 O ATOM 960 CB GLU A 64 11.294 21.899 -5.683 1.00 0.00 C ATOM 961 CG GLU A 64 11.046 22.050 -7.184 1.00 0.00 C ATOM 962 CD GLU A 64 10.532 23.452 -7.489 1.00 0.00 C ATOM 963 OE1 GLU A 64 11.333 24.372 -7.471 1.00 0.00 O ATOM 964 OE2 GLU A 64 9.345 23.586 -7.736 1.00 0.00 O ATOM 0 H GLU A 64 10.107 19.762 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 64 12.894 20.466 -5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.357 22.007 -5.136 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.961 22.687 -5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.969 21.864 -7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.321 21.307 -7.518 1.00 0.00 H new ATOM 971 N ASP A 65 10.963 20.054 -3.202 1.00 0.00 N ATOM 972 CA ASP A 65 10.999 19.888 -1.745 1.00 0.00 C ATOM 973 C ASP A 65 11.041 18.422 -1.308 1.00 0.00 C ATOM 974 O ASP A 65 11.208 18.143 -0.124 1.00 0.00 O ATOM 975 CB ASP A 65 9.762 20.548 -1.131 1.00 0.00 C ATOM 976 CG ASP A 65 9.838 22.062 -1.298 1.00 0.00 C ATOM 977 OD1 ASP A 65 10.509 22.695 -0.499 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.220 22.568 -2.221 1.00 0.00 O ATOM 0 H ASP A 65 10.040 19.937 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 65 11.917 20.360 -1.395 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.861 20.166 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.692 20.294 -0.073 1.00 0.00 H new ATOM 983 N VAL A 66 10.881 17.483 -2.237 1.00 0.00 N ATOM 984 CA VAL A 66 10.902 16.073 -1.848 1.00 0.00 C ATOM 985 C VAL A 66 12.116 15.775 -0.973 1.00 0.00 C ATOM 986 O VAL A 66 12.094 14.852 -0.158 1.00 0.00 O ATOM 987 CB VAL A 66 10.928 15.148 -3.069 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.579 15.179 -3.781 1.00 0.00 C ATOM 989 CG2 VAL A 66 12.006 15.594 -4.046 1.00 0.00 C ATOM 0 H VAL A 66 10.740 17.661 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 66 9.987 15.884 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 66 11.141 14.136 -2.725 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.609 14.518 -4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.799 14.845 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.364 16.196 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.013 14.928 -4.909 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.800 16.612 -4.375 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.978 15.562 -3.555 1.00 0.00 H new ATOM 999 N ASP A 67 13.176 16.553 -1.152 1.00 0.00 N ATOM 1000 CA ASP A 67 14.398 16.356 -0.380 1.00 0.00 C ATOM 1001 C ASP A 67 14.098 16.304 1.116 1.00 0.00 C ATOM 1002 O ASP A 67 14.743 15.566 1.860 1.00 0.00 O ATOM 1003 CB ASP A 67 15.385 17.489 -0.664 1.00 0.00 C ATOM 1004 CG ASP A 67 14.682 18.836 -0.535 1.00 0.00 C ATOM 1005 OD1 ASP A 67 13.468 18.840 -0.405 1.00 0.00 O ATOM 1006 OD2 ASP A 67 15.367 19.846 -0.567 1.00 0.00 O ATOM 0 H ASP A 67 13.215 17.322 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 67 14.837 15.405 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.221 17.437 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.799 17.380 -1.667 1.00 0.00 H new ATOM 1011 N MET A 68 13.121 17.094 1.554 1.00 0.00 N ATOM 1012 CA MET A 68 12.756 17.124 2.969 1.00 0.00 C ATOM 1013 C MET A 68 11.840 15.951 3.313 1.00 0.00 C ATOM 1014 O MET A 68 11.696 15.583 4.479 1.00 0.00 O ATOM 1015 CB MET A 68 12.068 18.462 3.306 1.00 0.00 C ATOM 1016 CG MET A 68 10.578 18.426 2.923 1.00 0.00 C ATOM 1017 SD MET A 68 9.618 17.769 4.311 1.00 0.00 S ATOM 1018 CE MET A 68 7.977 17.987 3.579 1.00 0.00 C ATOM 0 H MET A 68 12.573 17.715 0.959 1.00 0.00 H new ATOM 0 HA MET A 68 13.663 17.034 3.566 1.00 0.00 H new ATOM 0 HB2 MET A 68 12.169 18.669 4.371 1.00 0.00 H new ATOM 0 HB3 MET A 68 12.564 19.274 2.775 1.00 0.00 H new ATOM 0 HG2 MET A 68 10.232 19.428 2.669 1.00 0.00 H new ATOM 0 HG3 MET A 68 10.433 17.805 2.039 1.00 0.00 H new ATOM 0 HE1 MET A 68 7.217 17.639 4.279 1.00 0.00 H new ATOM 0 HE2 MET A 68 7.813 19.042 3.361 1.00 0.00 H new ATOM 0 HE3 MET A 68 7.911 17.411 2.656 1.00 0.00 H new ATOM 1028 N LEU A 69 11.223 15.373 2.288 1.00 0.00 N ATOM 1029 CA LEU A 69 10.320 14.248 2.486 1.00 0.00 C ATOM 1030 C LEU A 69 11.082 13.039 3.023 1.00 0.00 C ATOM 1031 O LEU A 69 12.075 12.609 2.438 1.00 0.00 O ATOM 1032 CB LEU A 69 9.643 13.895 1.158 1.00 0.00 C ATOM 1033 CG LEU A 69 8.451 12.952 1.395 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.326 13.679 2.164 1.00 0.00 C ATOM 1035 CD2 LEU A 69 7.921 12.473 0.038 1.00 0.00 C ATOM 0 H LEU A 69 11.332 15.664 1.316 1.00 0.00 H new ATOM 0 HA LEU A 69 9.561 14.528 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.302 14.805 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.363 13.420 0.491 1.00 0.00 H new ATOM 0 HG LEU A 69 8.781 12.101 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.492 12.995 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.705 14.018 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.986 14.538 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.075 11.803 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.600 13.332 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.711 11.943 -0.494 1.00 0.00 H new ATOM 1047 N ASP A 70 10.611 12.500 4.144 1.00 0.00 N ATOM 1048 CA ASP A 70 11.256 11.345 4.760 1.00 0.00 C ATOM 1049 C ASP A 70 11.453 10.223 3.747 1.00 0.00 C ATOM 1050 O ASP A 70 12.314 9.361 3.922 1.00 0.00 O ATOM 1051 CB ASP A 70 10.408 10.834 5.926 1.00 0.00 C ATOM 1052 CG ASP A 70 10.262 11.925 6.981 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.273 12.325 7.534 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.142 12.344 7.220 1.00 0.00 O ATOM 0 H ASP A 70 9.789 12.842 4.642 1.00 0.00 H new ATOM 0 HA ASP A 70 12.234 11.659 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.425 10.531 5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.873 9.951 6.365 1.00 0.00 H new ATOM 1059 N THR A 71 10.650 10.237 2.689 1.00 0.00 N ATOM 1060 CA THR A 71 10.748 9.211 1.658 1.00 0.00 C ATOM 1061 C THR A 71 12.108 9.297 0.951 1.00 0.00 C ATOM 1062 O THR A 71 12.392 10.302 0.298 1.00 0.00 O ATOM 1063 CB THR A 71 9.628 9.399 0.626 1.00 0.00 C ATOM 1064 OG1 THR A 71 8.422 9.740 1.294 1.00 0.00 O ATOM 1065 CG2 THR A 71 9.425 8.106 -0.169 1.00 0.00 C ATOM 0 H THR A 71 9.930 10.941 2.523 1.00 0.00 H new ATOM 0 HA THR A 71 10.650 8.233 2.130 1.00 0.00 H new ATOM 0 HB THR A 71 9.905 10.199 -0.061 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.676 9.706 0.660 1.00 0.00 H new ATOM 0 HG21 THR A 71 8.628 8.249 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 71 10.349 7.848 -0.686 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.153 7.299 0.512 1.00 0.00 H new ATOM 1073 N PRO A 72 12.959 8.293 1.046 1.00 0.00 N ATOM 1074 CA PRO A 72 14.288 8.336 0.373 1.00 0.00 C ATOM 1075 C PRO A 72 14.147 8.146 -1.139 1.00 0.00 C ATOM 1076 O PRO A 72 13.101 8.450 -1.709 1.00 0.00 O ATOM 1077 CB PRO A 72 15.064 7.188 1.038 1.00 0.00 C ATOM 1078 CG PRO A 72 14.018 6.203 1.441 1.00 0.00 C ATOM 1079 CD PRO A 72 12.768 7.023 1.783 1.00 0.00 C ATOM 0 HA PRO A 72 14.798 9.293 0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.781 6.743 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.629 7.540 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.814 5.500 0.634 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.346 5.616 2.299 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.858 6.512 1.469 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.684 7.193 2.856 1.00 0.00 H new ATOM 1087 N MET A 73 15.200 7.648 -1.782 1.00 0.00 N ATOM 1088 CA MET A 73 15.189 7.423 -3.229 1.00 0.00 C ATOM 1089 C MET A 73 15.242 5.930 -3.523 1.00 0.00 C ATOM 1090 O MET A 73 15.282 5.518 -4.680 1.00 0.00 O ATOM 1091 CB MET A 73 16.396 8.122 -3.871 1.00 0.00 C ATOM 1092 CG MET A 73 16.126 8.388 -5.357 1.00 0.00 C ATOM 1093 SD MET A 73 17.504 9.326 -6.061 1.00 0.00 S ATOM 1094 CE MET A 73 16.892 10.977 -5.640 1.00 0.00 C ATOM 0 H MET A 73 16.075 7.391 -1.325 1.00 0.00 H new ATOM 0 HA MET A 73 14.270 7.835 -3.647 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.597 9.062 -3.357 1.00 0.00 H new ATOM 0 HB3 MET A 73 17.286 7.502 -3.761 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.004 7.445 -5.890 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.196 8.944 -5.475 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.662 11.717 -5.859 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.001 11.196 -6.228 1.00 0.00 H new ATOM 0 HE3 MET A 73 16.645 11.014 -4.579 1.00 0.00 H new ATOM 1104 N SER A 74 15.249 5.125 -2.460 1.00 0.00 N ATOM 1105 CA SER A 74 15.303 3.668 -2.594 1.00 0.00 C ATOM 1106 C SER A 74 13.969 3.044 -2.193 1.00 0.00 C ATOM 1107 O SER A 74 13.679 1.901 -2.547 1.00 0.00 O ATOM 1108 CB SER A 74 16.414 3.105 -1.707 1.00 0.00 C ATOM 1109 OG SER A 74 16.415 1.685 -1.796 1.00 0.00 O ATOM 0 H SER A 74 15.218 5.457 -1.496 1.00 0.00 H new ATOM 0 HA SER A 74 15.509 3.425 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.380 3.501 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.262 3.416 -0.673 1.00 0.00 H new ATOM 0 HG SER A 74 15.521 1.372 -2.047 1.00 0.00 H new ATOM 1115 N ALA A 75 13.157 3.800 -1.458 1.00 0.00 N ATOM 1116 CA ALA A 75 11.859 3.306 -1.024 1.00 0.00 C ATOM 1117 C ALA A 75 10.910 3.200 -2.209 1.00 0.00 C ATOM 1118 O ALA A 75 10.064 2.309 -2.261 1.00 0.00 O ATOM 1119 CB ALA A 75 11.266 4.247 0.021 1.00 0.00 C ATOM 0 H ALA A 75 13.375 4.749 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 75 11.993 2.317 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.294 3.870 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.934 4.303 0.881 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.145 5.241 -0.411 1.00 0.00 H new ATOM 1125 N LEU A 76 11.056 4.108 -3.167 1.00 0.00 N ATOM 1126 CA LEU A 76 10.200 4.075 -4.339 1.00 0.00 C ATOM 1127 C LEU A 76 10.490 2.810 -5.133 1.00 0.00 C ATOM 1128 O LEU A 76 9.575 2.088 -5.529 1.00 0.00 O ATOM 1129 CB LEU A 76 10.423 5.296 -5.237 1.00 0.00 C ATOM 1130 CG LEU A 76 10.421 6.611 -4.429 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.302 6.597 -3.384 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.779 6.858 -3.731 1.00 0.00 C ATOM 0 H LEU A 76 11.745 4.860 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 76 9.163 4.088 -4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.373 5.193 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.643 5.335 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 76 10.249 7.423 -5.135 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.316 7.532 -2.824 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.339 6.487 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.453 5.762 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.736 7.793 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.991 6.036 -3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.568 6.919 -4.481 1.00 0.00 H new ATOM 1144 N LYS A 77 11.776 2.539 -5.348 1.00 0.00 N ATOM 1145 CA LYS A 77 12.171 1.345 -6.080 1.00 0.00 C ATOM 1146 C LYS A 77 11.574 0.122 -5.399 1.00 0.00 C ATOM 1147 O LYS A 77 11.178 -0.842 -6.056 1.00 0.00 O ATOM 1148 CB LYS A 77 13.696 1.217 -6.120 1.00 0.00 C ATOM 1149 CG LYS A 77 14.278 2.252 -7.091 1.00 0.00 C ATOM 1150 CD LYS A 77 14.020 3.671 -6.560 1.00 0.00 C ATOM 1151 CE LYS A 77 15.030 4.648 -7.171 1.00 0.00 C ATOM 1152 NZ LYS A 77 15.153 4.384 -8.633 1.00 0.00 N ATOM 0 H LYS A 77 12.550 3.123 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 77 11.803 1.419 -7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.109 1.368 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.978 0.212 -6.433 1.00 0.00 H new ATOM 0 HG2 LYS A 77 15.349 2.089 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.825 2.135 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.005 3.982 -6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.102 3.682 -5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 77 14.707 5.675 -7.002 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.000 4.535 -6.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 15.567 5.215 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 15.766 3.558 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 14.211 4.195 -9.032 1.00 0.00 H new ATOM 1166 N ASP A 78 11.509 0.179 -4.071 1.00 0.00 N ATOM 1167 CA ASP A 78 10.957 -0.913 -3.292 1.00 0.00 C ATOM 1168 C ASP A 78 9.450 -1.005 -3.523 1.00 0.00 C ATOM 1169 O ASP A 78 8.944 -2.037 -3.962 1.00 0.00 O ATOM 1170 CB ASP A 78 11.258 -0.683 -1.801 1.00 0.00 C ATOM 1171 CG ASP A 78 12.684 -1.123 -1.477 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.600 -0.590 -2.081 1.00 0.00 O ATOM 1173 OD2 ASP A 78 12.837 -1.987 -0.629 1.00 0.00 O ATOM 0 H ASP A 78 11.833 0.972 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 78 11.414 -1.852 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.130 0.371 -1.555 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.549 -1.241 -1.189 1.00 0.00 H new ATOM 1178 N ALA A 79 8.741 0.077 -3.217 1.00 0.00 N ATOM 1179 CA ALA A 79 7.292 0.107 -3.386 1.00 0.00 C ATOM 1180 C ALA A 79 6.891 -0.052 -4.853 1.00 0.00 C ATOM 1181 O ALA A 79 6.203 -1.010 -5.207 1.00 0.00 O ATOM 1182 CB ALA A 79 6.739 1.428 -2.846 1.00 0.00 C ATOM 0 H ALA A 79 9.143 0.941 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 79 6.873 -0.731 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.657 1.448 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.982 1.518 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 79 7.184 2.259 -3.393 1.00 0.00 H new ATOM 1188 N VAL A 80 7.298 0.905 -5.697 1.00 0.00 N ATOM 1189 CA VAL A 80 6.954 0.876 -7.126 1.00 0.00 C ATOM 1190 C VAL A 80 6.922 -0.555 -7.664 1.00 0.00 C ATOM 1191 O VAL A 80 6.219 -0.852 -8.628 1.00 0.00 O ATOM 1192 CB VAL A 80 7.952 1.715 -7.934 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.233 0.916 -8.179 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.343 2.103 -9.291 1.00 0.00 C ATOM 0 H VAL A 80 7.864 1.706 -5.417 1.00 0.00 H new ATOM 0 HA VAL A 80 5.957 1.302 -7.234 1.00 0.00 H new ATOM 0 HB VAL A 80 8.183 2.616 -7.365 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.935 1.521 -8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.683 0.648 -7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.995 0.009 -8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.061 2.698 -9.855 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.100 1.201 -9.852 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.436 2.686 -9.130 1.00 0.00 H new ATOM 1204 N ARG A 81 7.696 -1.429 -7.027 1.00 0.00 N ATOM 1205 CA ARG A 81 7.762 -2.825 -7.441 1.00 0.00 C ATOM 1206 C ARG A 81 6.515 -3.577 -6.992 1.00 0.00 C ATOM 1207 O ARG A 81 5.805 -4.175 -7.799 1.00 0.00 O ATOM 1208 CB ARG A 81 8.994 -3.501 -6.837 1.00 0.00 C ATOM 1209 CG ARG A 81 9.220 -4.848 -7.528 1.00 0.00 C ATOM 1210 CD ARG A 81 10.309 -5.636 -6.794 1.00 0.00 C ATOM 1211 NE ARG A 81 11.620 -5.061 -7.068 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.266 -5.329 -8.199 1.00 0.00 C ATOM 1213 NH1 ARG A 81 11.724 -6.114 -9.092 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.441 -4.808 -8.418 1.00 0.00 N ATOM 0 H ARG A 81 8.283 -1.196 -6.226 1.00 0.00 H new ATOM 0 HA ARG A 81 7.827 -2.850 -8.529 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.870 -2.864 -6.960 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.855 -3.647 -5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.292 -5.420 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.511 -4.689 -8.566 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.116 -5.624 -5.721 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.288 -6.679 -7.110 1.00 0.00 H new ATOM 0 HE ARG A 81 12.049 -4.442 -6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.805 -6.522 -8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.220 -6.319 -9.959 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.865 -4.195 -7.722 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.936 -5.014 -9.286 1.00 0.00 H new ATOM 1228 N ILE A 82 6.284 -3.565 -5.687 1.00 0.00 N ATOM 1229 CA ILE A 82 5.153 -4.270 -5.101 1.00 0.00 C ATOM 1230 C ILE A 82 3.835 -3.999 -5.848 1.00 0.00 C ATOM 1231 O ILE A 82 3.055 -4.928 -6.055 1.00 0.00 O ATOM 1232 CB ILE A 82 5.031 -3.904 -3.611 1.00 0.00 C ATOM 1233 CG1 ILE A 82 6.126 -4.631 -2.818 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.660 -4.327 -3.075 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.193 -4.064 -1.400 1.00 0.00 C ATOM 0 H ILE A 82 6.868 -3.072 -5.011 1.00 0.00 H new ATOM 0 HA ILE A 82 5.342 -5.339 -5.196 1.00 0.00 H new ATOM 0 HB ILE A 82 5.143 -2.825 -3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.916 -5.700 -2.784 1.00 0.00 H new ATOM 0 HG13 ILE A 82 7.089 -4.511 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.585 -4.063 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.877 -3.815 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.541 -5.405 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.971 -4.581 -0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.424 -3.000 -1.444 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.232 -4.207 -0.905 1.00 0.00 H new ATOM 1247 N LEU A 83 3.570 -2.753 -6.264 1.00 0.00 N ATOM 1248 CA LEU A 83 2.314 -2.487 -6.988 1.00 0.00 C ATOM 1249 C LEU A 83 2.466 -2.907 -8.448 1.00 0.00 C ATOM 1250 O LEU A 83 1.501 -3.337 -9.080 1.00 0.00 O ATOM 1251 CB LEU A 83 1.832 -0.999 -6.919 1.00 0.00 C ATOM 1252 CG LEU A 83 2.572 -0.172 -5.853 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.733 -0.941 -4.527 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.917 0.260 -6.402 1.00 0.00 C ATOM 0 H LEU A 83 4.176 -1.945 -6.122 1.00 0.00 H new ATOM 0 HA LEU A 83 1.547 -3.077 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.973 -0.533 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.763 -0.979 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 83 1.973 0.709 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.261 -0.317 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.749 -1.197 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.303 -1.854 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.445 0.846 -5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.507 -0.621 -6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.768 0.866 -7.296 1.00 0.00 H new ATOM 1266 N TRP A 84 3.678 -2.783 -8.978 1.00 0.00 N ATOM 1267 CA TRP A 84 3.920 -3.164 -10.371 1.00 0.00 C ATOM 1268 C TRP A 84 3.345 -4.556 -10.639 1.00 0.00 C ATOM 1269 O TRP A 84 2.982 -4.882 -11.769 1.00 0.00 O ATOM 1270 CB TRP A 84 5.445 -3.152 -10.654 1.00 0.00 C ATOM 1271 CG TRP A 84 5.791 -2.164 -11.728 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.616 -2.414 -12.768 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.346 -0.785 -11.877 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.705 -1.279 -13.551 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.940 -0.248 -13.044 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.494 0.043 -11.124 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.695 1.064 -13.450 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.245 1.363 -11.531 1.00 0.00 C ATOM 1279 CH2 TRP A 84 4.846 1.872 -12.692 1.00 0.00 C ATOM 0 H TRP A 84 4.495 -2.430 -8.479 1.00 0.00 H new ATOM 0 HA TRP A 84 3.428 -2.450 -11.031 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.985 -2.903 -9.740 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.769 -4.148 -10.955 1.00 0.00 H new ATOM 0 HD1 TRP A 84 7.123 -3.349 -12.957 1.00 0.00 H new ATOM 0 HE1 TRP A 84 7.267 -1.211 -14.400 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.029 -0.339 -10.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.159 1.452 -14.345 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 3.587 1.990 -10.947 1.00 0.00 H new ATOM 0 HH2 TRP A 84 4.652 2.889 -12.999 1.00 0.00 H new ATOM 1290 N GLY A 85 3.284 -5.374 -9.592 1.00 0.00 N ATOM 1291 CA GLY A 85 2.774 -6.737 -9.715 1.00 0.00 C ATOM 1292 C GLY A 85 3.929 -7.715 -9.895 1.00 0.00 C ATOM 1293 O GLY A 85 3.728 -8.876 -10.250 1.00 0.00 O ATOM 0 H GLY A 85 3.581 -5.118 -8.650 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.200 -7.000 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.095 -6.804 -10.565 1.00 0.00 H new ATOM 1297 N GLU A 86 5.145 -7.228 -9.640 1.00 0.00 N ATOM 1298 CA GLU A 86 6.353 -8.046 -9.763 1.00 0.00 C ATOM 1299 C GLU A 86 6.987 -8.245 -8.392 1.00 0.00 C ATOM 1300 O GLU A 86 8.100 -8.758 -8.282 1.00 0.00 O ATOM 1301 CB GLU A 86 7.354 -7.360 -10.696 1.00 0.00 C ATOM 1302 CG GLU A 86 6.785 -7.320 -12.116 1.00 0.00 C ATOM 1303 CD GLU A 86 7.851 -6.831 -13.089 1.00 0.00 C ATOM 1304 OE1 GLU A 86 9.015 -6.857 -12.725 1.00 0.00 O ATOM 1305 OE2 GLU A 86 7.488 -6.437 -14.186 1.00 0.00 O ATOM 0 H GLU A 86 5.319 -6.267 -9.346 1.00 0.00 H new ATOM 0 HA GLU A 86 6.082 -9.017 -10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.558 -6.348 -10.346 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.302 -7.898 -10.688 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.442 -8.313 -12.408 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.918 -6.660 -12.151 1.00 0.00 H new ATOM 1312 N ALA A 87 6.261 -7.819 -7.355 1.00 0.00 N ATOM 1313 CA ALA A 87 6.723 -7.927 -5.970 1.00 0.00 C ATOM 1314 C ALA A 87 7.682 -9.105 -5.770 1.00 0.00 C ATOM 1315 O ALA A 87 8.645 -9.006 -5.011 1.00 0.00 O ATOM 1316 CB ALA A 87 5.506 -8.087 -5.050 1.00 0.00 C ATOM 0 H ALA A 87 5.340 -7.391 -7.452 1.00 0.00 H new ATOM 0 HA ALA A 87 7.272 -7.018 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.840 -8.168 -4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.855 -7.219 -5.154 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.957 -8.987 -5.326 1.00 0.00 H new ATOM 1322 N GLU A 88 7.412 -10.214 -6.453 1.00 0.00 N ATOM 1323 CA GLU A 88 8.265 -11.393 -6.334 1.00 0.00 C ATOM 1324 C GLU A 88 9.648 -11.111 -6.912 1.00 0.00 C ATOM 1325 O GLU A 88 9.781 -10.418 -7.921 1.00 0.00 O ATOM 1326 CB GLU A 88 7.633 -12.582 -7.064 1.00 0.00 C ATOM 1327 CG GLU A 88 7.226 -12.164 -8.478 1.00 0.00 C ATOM 1328 CD GLU A 88 6.881 -13.398 -9.305 1.00 0.00 C ATOM 1329 OE1 GLU A 88 7.786 -13.961 -9.898 1.00 0.00 O ATOM 1330 OE2 GLU A 88 5.716 -13.762 -9.331 1.00 0.00 O ATOM 0 H GLU A 88 6.620 -10.321 -7.087 1.00 0.00 H new ATOM 0 HA GLU A 88 8.367 -11.637 -5.277 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.340 -13.411 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 88 6.761 -12.936 -6.514 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.368 -11.493 -8.435 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.039 -11.613 -8.952 1.00 0.00 H new ATOM 1337 N VAL A 89 10.674 -11.651 -6.263 1.00 0.00 N ATOM 1338 CA VAL A 89 12.047 -11.449 -6.717 1.00 0.00 C ATOM 1339 C VAL A 89 12.292 -12.165 -8.042 1.00 0.00 C ATOM 1340 O VAL A 89 11.637 -13.160 -8.353 1.00 0.00 O ATOM 1341 CB VAL A 89 13.024 -11.969 -5.662 1.00 0.00 C ATOM 1342 CG1 VAL A 89 14.460 -11.721 -6.127 1.00 0.00 C ATOM 1343 CG2 VAL A 89 12.784 -11.235 -4.340 1.00 0.00 C ATOM 0 H VAL A 89 10.583 -12.228 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 89 12.206 -10.381 -6.866 1.00 0.00 H new ATOM 0 HB VAL A 89 12.868 -13.038 -5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 89 15.155 -12.092 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 89 14.633 -12.242 -7.069 1.00 0.00 H new ATOM 0 HG13 VAL A 89 14.617 -10.652 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.480 -11.605 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.940 -10.166 -4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.761 -11.411 -4.007 1.00 0.00 H new ATOM 1353 N ASP A 90 13.240 -11.648 -8.821 1.00 0.00 N ATOM 1354 CA ASP A 90 13.569 -12.240 -10.115 1.00 0.00 C ATOM 1355 C ASP A 90 14.565 -13.385 -9.946 1.00 0.00 C ATOM 1356 O ASP A 90 14.493 -14.144 -8.980 1.00 0.00 O ATOM 1357 CB ASP A 90 14.166 -11.171 -11.035 1.00 0.00 C ATOM 1358 CG ASP A 90 15.506 -10.696 -10.482 1.00 0.00 C ATOM 1359 OD1 ASP A 90 15.658 -10.699 -9.272 1.00 0.00 O ATOM 1360 OD2 ASP A 90 16.358 -10.337 -11.277 1.00 0.00 O ATOM 0 H ASP A 90 13.791 -10.824 -8.580 1.00 0.00 H new ATOM 0 HA ASP A 90 12.655 -12.636 -10.558 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.300 -11.576 -12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 90 13.480 -10.329 -11.121 1.00 0.00 H new ATOM 1365 N SER A 91 15.492 -13.505 -10.893 1.00 0.00 N ATOM 1366 CA SER A 91 16.494 -14.564 -10.841 1.00 0.00 C ATOM 1367 C SER A 91 17.413 -14.381 -9.637 1.00 0.00 C ATOM 1368 O SER A 91 17.177 -13.522 -8.787 1.00 0.00 O ATOM 1369 CB SER A 91 17.324 -14.558 -12.125 1.00 0.00 C ATOM 1370 OG SER A 91 17.906 -13.273 -12.301 1.00 0.00 O ATOM 0 H SER A 91 15.570 -12.886 -11.700 1.00 0.00 H new ATOM 0 HA SER A 91 15.979 -15.520 -10.744 1.00 0.00 H new ATOM 0 HB2 SER A 91 18.103 -15.319 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 91 16.695 -14.805 -12.980 1.00 0.00 H new ATOM 0 HG SER A 91 18.440 -13.266 -13.122 1.00 0.00 H new ATOM 1376 N LEU A 92 18.461 -15.199 -9.569 1.00 0.00 N ATOM 1377 CA LEU A 92 19.410 -15.129 -8.463 1.00 0.00 C ATOM 1378 C LEU A 92 20.423 -14.001 -8.705 1.00 0.00 C ATOM 1379 O LEU A 92 20.733 -13.686 -9.854 1.00 0.00 O ATOM 1380 CB LEU A 92 20.158 -16.463 -8.335 1.00 0.00 C ATOM 1381 CG LEU A 92 19.239 -17.555 -7.757 1.00 0.00 C ATOM 1382 CD1 LEU A 92 18.874 -17.246 -6.293 1.00 0.00 C ATOM 1383 CD2 LEU A 92 17.959 -17.660 -8.599 1.00 0.00 C ATOM 0 H LEU A 92 18.673 -15.915 -10.264 1.00 0.00 H new ATOM 0 HA LEU A 92 18.861 -14.927 -7.543 1.00 0.00 H new ATOM 0 HB2 LEU A 92 20.527 -16.773 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU A 92 21.028 -16.336 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 92 19.773 -18.504 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.224 -18.031 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 92 19.783 -17.199 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 92 18.356 -16.288 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.313 -18.434 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.435 -16.704 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.219 -17.916 -9.626 1.00 0.00 H new ATOM 1395 N PRO A 93 20.950 -13.393 -7.662 1.00 0.00 N ATOM 1396 CA PRO A 93 21.945 -12.293 -7.801 1.00 0.00 C ATOM 1397 C PRO A 93 22.919 -12.526 -8.957 1.00 0.00 C ATOM 1398 O PRO A 93 22.888 -11.812 -9.960 1.00 0.00 O ATOM 1399 CB PRO A 93 22.668 -12.312 -6.452 1.00 0.00 C ATOM 1400 CG PRO A 93 21.631 -12.760 -5.469 1.00 0.00 C ATOM 1401 CD PRO A 93 20.660 -13.674 -6.240 1.00 0.00 C ATOM 0 HA PRO A 93 21.477 -11.336 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 93 23.518 -12.994 -6.468 1.00 0.00 H new ATOM 0 HB3 PRO A 93 23.055 -11.326 -6.197 1.00 0.00 H new ATOM 0 HG2 PRO A 93 22.090 -13.296 -4.638 1.00 0.00 H new ATOM 0 HG3 PRO A 93 21.104 -11.905 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 93 20.826 -14.724 -6.000 1.00 0.00 H new ATOM 0 HD3 PRO A 93 19.622 -13.451 -5.993 1.00 0.00 H new ATOM 1409 N GLN A 94 23.787 -13.521 -8.806 1.00 0.00 N ATOM 1410 CA GLN A 94 24.770 -13.831 -9.839 1.00 0.00 C ATOM 1411 C GLN A 94 24.073 -14.202 -11.153 1.00 0.00 C ATOM 1412 O GLN A 94 22.961 -14.729 -11.136 1.00 0.00 O ATOM 1413 CB GLN A 94 25.655 -14.993 -9.377 1.00 0.00 C ATOM 1414 CG GLN A 94 24.782 -16.073 -8.734 1.00 0.00 C ATOM 1415 CD GLN A 94 25.589 -17.354 -8.554 1.00 0.00 C ATOM 1416 OE1 GLN A 94 25.786 -18.104 -9.511 1.00 0.00 O ATOM 1417 NE2 GLN A 94 26.070 -17.652 -7.378 1.00 0.00 N ATOM 0 H GLN A 94 23.830 -14.123 -7.984 1.00 0.00 H new ATOM 0 HA GLN A 94 25.387 -12.948 -10.010 1.00 0.00 H new ATOM 0 HB2 GLN A 94 26.201 -15.408 -10.224 1.00 0.00 H new ATOM 0 HB3 GLN A 94 26.398 -14.637 -8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 94 24.413 -15.727 -7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 94 23.910 -16.267 -9.358 1.00 0.00 H new ATOM 0 HE21 GLN A 94 25.906 -17.029 -6.587 1.00 0.00 H new ATOM 0 HE22 GLN A 94 26.610 -18.508 -7.250 1.00 0.00 H new ATOM 1426 N PRO A 95 24.695 -13.949 -12.285 1.00 0.00 N ATOM 1427 CA PRO A 95 24.099 -14.281 -13.616 1.00 0.00 C ATOM 1428 C PRO A 95 24.139 -15.783 -13.898 1.00 0.00 C ATOM 1429 O PRO A 95 25.211 -16.367 -14.053 1.00 0.00 O ATOM 1430 CB PRO A 95 24.982 -13.505 -14.602 1.00 0.00 C ATOM 1431 CG PRO A 95 26.315 -13.430 -13.932 1.00 0.00 C ATOM 1432 CD PRO A 95 26.025 -13.321 -12.433 1.00 0.00 C ATOM 0 HA PRO A 95 23.045 -14.012 -13.682 1.00 0.00 H new ATOM 0 HB2 PRO A 95 25.049 -14.016 -15.562 1.00 0.00 H new ATOM 0 HB3 PRO A 95 24.580 -12.511 -14.798 1.00 0.00 H new ATOM 0 HG2 PRO A 95 26.913 -14.315 -14.151 1.00 0.00 H new ATOM 0 HG3 PRO A 95 26.881 -12.568 -14.284 1.00 0.00 H new ATOM 0 HD2 PRO A 95 26.780 -13.838 -11.841 1.00 0.00 H new ATOM 0 HD3 PRO A 95 26.016 -12.283 -12.102 1.00 0.00 H new ATOM 1440 N VAL A 96 22.965 -16.400 -13.963 1.00 0.00 N ATOM 1441 CA VAL A 96 22.880 -17.832 -14.228 1.00 0.00 C ATOM 1442 C VAL A 96 23.073 -18.113 -15.715 1.00 0.00 C ATOM 1443 O VAL A 96 23.456 -19.224 -16.042 1.00 0.00 O ATOM 1444 CB VAL A 96 21.519 -18.365 -13.779 1.00 0.00 C ATOM 1445 CG1 VAL A 96 21.394 -18.233 -12.261 1.00 0.00 C ATOM 1446 CG2 VAL A 96 20.408 -17.558 -14.453 1.00 0.00 C ATOM 1447 OXT VAL A 96 22.834 -17.213 -16.503 1.00 0.00 O ATOM 0 H VAL A 96 22.065 -15.936 -13.837 1.00 0.00 H new ATOM 0 HA VAL A 96 23.669 -18.334 -13.669 1.00 0.00 H new ATOM 0 HB VAL A 96 21.430 -19.414 -14.061 1.00 0.00 H new ATOM 0 HG11 VAL A 96 20.424 -18.613 -11.941 1.00 0.00 H new ATOM 0 HG12 VAL A 96 22.185 -18.808 -11.779 1.00 0.00 H new ATOM 0 HG13 VAL A 96 21.484 -17.184 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 96 19.437 -17.937 -14.133 1.00 0.00 H new ATOM 0 HG22 VAL A 96 20.498 -16.509 -14.171 1.00 0.00 H new ATOM 0 HG23 VAL A 96 20.496 -17.652 -15.535 1.00 0.00 H new TER 1457 VAL A 96