USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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: B 11 MET CE :methyl -117:sc= -2.65 (180deg=-7.47!) USER MOD Set 1.2: B 30 MET CE :methyl -149:sc= -3.34 (180deg=-7.21!) USER MOD Set 2.1: A 32 SER OG : rot 51:sc= 1.24 USER MOD Set 2.2: A 36 GLN : amide:sc= 0.963 K(o=2.2,f=-0.88) USER MOD Set 3.1: A 11 MET CE :methyl -109:sc= -2.03 (180deg=-7.33!) USER MOD Set 3.2: A 30 MET CE :methyl 174:sc= -5.47! (180deg=-5.33!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= 0.0952 K(o=0.095,f=-2!) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0.42 (180deg=0.108) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0317) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.573 K(o=0.57,f=-4.2!) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 6 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-7.5e-05) USER MOD Single : B 8 ASN : amide:sc=-0.000906 X(o=-0.00091,f=-0.38) USER MOD Single : B 13 MET CE :methyl 137:sc= -0.211 (180deg=-0.972) USER MOD Single : B 18 LYS NZ :NH3+ -164:sc= 0.401 (180deg=0.287) USER MOD Single : B 20 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.00283) USER MOD Single : B 26 ASN : amide:sc= 1.13 K(o=1.1,f=-0.14) USER MOD Single : B 29 SER OG : rot 32:sc= 0.535 USER MOD Single : B 31 ASN : amide:sc= 0.529 K(o=0.53,f=-2.6!) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.61) USER MOD Single : B 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.252 -12.705 -5.366 1.00 0.00 N ATOM 26 CA ASP A 4 12.801 -12.390 -5.441 1.00 0.00 C ATOM 27 C ASP A 4 11.905 -13.460 -4.727 1.00 0.00 C ATOM 28 O ASP A 4 11.304 -14.292 -5.418 1.00 0.00 O ATOM 29 CB ASP A 4 12.357 -12.057 -6.892 1.00 0.00 C ATOM 30 CG ASP A 4 12.653 -13.042 -8.027 1.00 0.00 C ATOM 31 OD1 ASP A 4 11.998 -14.228 -7.887 1.00 0.00 O ATOM 32 OD2 ASP A 4 13.400 -12.774 -8.962 1.00 0.00 O ATOM 0 HA ASP A 4 12.642 -11.477 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.279 -11.898 -6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.815 -11.105 -7.161 1.00 0.00 H new ATOM 33 N PRO A 5 11.797 -13.523 -3.372 1.00 0.00 N ATOM 34 CA PRO A 5 11.343 -14.753 -2.676 1.00 0.00 C ATOM 35 C PRO A 5 9.851 -14.716 -2.245 1.00 0.00 C ATOM 36 O PRO A 5 9.247 -13.659 -2.027 1.00 0.00 O ATOM 37 CB PRO A 5 12.338 -14.838 -1.494 1.00 0.00 C ATOM 38 CG PRO A 5 13.308 -13.672 -1.693 1.00 0.00 C ATOM 39 CD PRO A 5 12.496 -12.631 -2.430 1.00 0.00 C ATOM 0 HA PRO A 5 11.356 -15.638 -3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.820 -14.759 -0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.866 -15.792 -1.493 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.672 -13.290 -0.739 1.00 0.00 H new ATOM 0 HG3 PRO A 5 14.182 -13.976 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.813 -12.087 -1.777 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.116 -11.888 -2.932 1.00 0.00 H new ATOM 40 N HIS A 6 9.303 -15.923 -2.111 1.00 0.00 N ATOM 41 CA HIS A 6 7.888 -16.156 -1.750 1.00 0.00 C ATOM 42 C HIS A 6 7.587 -15.928 -0.236 1.00 0.00 C ATOM 43 O HIS A 6 8.222 -16.520 0.644 1.00 0.00 O ATOM 44 CB HIS A 6 7.567 -17.637 -2.120 1.00 0.00 C ATOM 45 CG HIS A 6 7.505 -17.975 -3.608 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.616 -18.237 -4.395 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.330 -18.065 -4.360 1.00 0.00 C ATOM 48 CE1 HIS A 6 7.990 -18.462 -5.595 1.00 0.00 C ATOM 49 NE2 HIS A 6 6.623 -18.382 -5.675 1.00 0.00 N ATOM 0 H HIS A 6 9.830 -16.785 -2.250 1.00 0.00 H new ATOM 0 HA HIS A 6 7.269 -15.440 -2.292 1.00 0.00 H new ATOM 0 HB2 HIS A 6 8.321 -18.274 -1.658 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.609 -17.900 -1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.335 -17.909 -3.970 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.571 -18.701 -6.473 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.002 -18.517 -6.473 1.00 0.00 H new ATOM 50 N PHE A 7 6.455 -15.288 0.072 1.00 0.00 N ATOM 51 CA PHE A 7 5.415 -16.002 0.851 1.00 0.00 C ATOM 52 C PHE A 7 4.118 -16.165 -0.002 1.00 0.00 C ATOM 53 O PHE A 7 3.904 -15.555 -1.056 1.00 0.00 O ATOM 54 CB PHE A 7 5.273 -15.428 2.288 1.00 0.00 C ATOM 55 CG PHE A 7 4.682 -14.027 2.528 1.00 0.00 C ATOM 56 CD1 PHE A 7 5.459 -12.865 2.390 1.00 0.00 C ATOM 57 CD2 PHE A 7 3.394 -13.915 3.070 1.00 0.00 C ATOM 58 CE1 PHE A 7 4.971 -11.641 2.825 1.00 0.00 C ATOM 59 CE2 PHE A 7 2.915 -12.684 3.480 1.00 0.00 C ATOM 60 CZ PHE A 7 3.712 -11.566 3.394 1.00 0.00 C ATOM 0 H PHE A 7 6.232 -14.327 -0.186 1.00 0.00 H new ATOM 0 HA PHE A 7 5.719 -17.029 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.664 -16.133 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.267 -15.436 2.734 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.441 -12.924 1.943 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.773 -14.793 3.168 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.572 -10.750 2.720 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.911 -12.600 3.869 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.352 -10.621 3.774 1.00 0.00 H new ATOM 61 N ASN A 8 3.229 -17.049 0.440 1.00 0.00 N ATOM 62 CA ASN A 8 1.820 -17.033 -0.014 1.00 0.00 C ATOM 63 C ASN A 8 1.021 -15.970 0.810 1.00 0.00 C ATOM 64 O ASN A 8 0.417 -16.303 1.833 1.00 0.00 O ATOM 65 CB ASN A 8 1.267 -18.491 -0.010 1.00 0.00 C ATOM 66 CG ASN A 8 1.375 -19.357 1.260 1.00 0.00 C ATOM 67 OD1 ASN A 8 2.056 -19.062 2.234 1.00 0.00 O ATOM 68 ND2 ASN A 8 0.747 -20.502 1.269 1.00 0.00 N ATOM 0 H ASN A 8 3.446 -17.787 1.109 1.00 0.00 H new ATOM 0 HA ASN A 8 1.713 -16.704 -1.048 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.211 -18.437 -0.276 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.771 -19.030 -0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.831 -21.124 2.073 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.172 -20.775 0.472 1.00 0.00 H new ATOM 69 N PHE A 9 0.972 -14.693 0.347 1.00 0.00 N ATOM 70 CA PHE A 9 -0.093 -13.762 0.784 1.00 0.00 C ATOM 71 C PHE A 9 -1.479 -14.241 0.260 1.00 0.00 C ATOM 72 O PHE A 9 -1.659 -15.300 -0.332 1.00 0.00 O ATOM 73 CB PHE A 9 0.327 -12.312 0.424 1.00 0.00 C ATOM 74 CG PHE A 9 -0.404 -11.184 1.184 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.440 -11.166 2.589 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.748 -10.012 0.501 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.772 -10.010 3.274 1.00 0.00 C ATOM 78 CE2 PHE A 9 -1.143 -8.874 1.188 1.00 0.00 C ATOM 79 CZ PHE A 9 -1.051 -8.856 2.563 1.00 0.00 C ATOM 0 H PHE A 9 1.641 -14.295 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.218 -13.759 1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.397 -12.210 0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.169 -12.164 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.206 -12.065 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.705 -9.994 -0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.813 -10.009 4.353 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.518 -8.014 0.653 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.199 -7.927 3.094 1.00 0.00 H new ATOM 80 N ARG A 10 -2.498 -13.626 0.799 1.00 0.00 N ATOM 81 CA ARG A 10 -3.497 -14.350 1.632 1.00 0.00 C ATOM 82 C ARG A 10 -4.202 -13.280 2.479 1.00 0.00 C ATOM 83 O ARG A 10 -3.587 -12.673 3.365 1.00 0.00 O ATOM 84 CB ARG A 10 -2.928 -15.495 2.521 1.00 0.00 C ATOM 85 CG ARG A 10 -3.893 -16.221 3.474 1.00 0.00 C ATOM 86 CD ARG A 10 -5.156 -16.838 2.857 1.00 0.00 C ATOM 87 NE ARG A 10 -5.801 -17.781 3.814 1.00 0.00 N ATOM 88 CZ ARG A 10 -6.722 -17.471 4.718 1.00 0.00 C ATOM 89 NH1 ARG A 10 -7.207 -16.281 4.904 1.00 0.00 N ATOM 90 NH2 ARG A 10 -7.154 -18.423 5.468 1.00 0.00 N ATOM 0 H ARG A 10 -2.682 -12.628 0.693 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.180 -14.879 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.487 -16.242 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.117 -15.080 3.120 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.339 -17.015 3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.204 -15.514 4.243 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.858 -16.049 2.587 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.898 -17.364 1.938 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.507 -18.757 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.880 -15.502 4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.915 -16.125 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.788 -19.368 5.353 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.862 -18.232 6.177 1.00 0.00 H new ATOM 91 N MET A 11 -5.473 -13.025 2.172 1.00 0.00 N ATOM 92 CA MET A 11 -6.157 -11.827 2.752 1.00 0.00 C ATOM 93 C MET A 11 -7.409 -12.207 3.630 1.00 0.00 C ATOM 94 O MET A 11 -7.662 -13.383 3.919 1.00 0.00 O ATOM 95 CB MET A 11 -6.398 -10.809 1.594 1.00 0.00 C ATOM 96 CG MET A 11 -5.188 -10.272 0.767 1.00 0.00 C ATOM 97 SD MET A 11 -4.538 -11.523 -0.370 1.00 0.00 S ATOM 98 CE MET A 11 -3.303 -10.618 -1.335 1.00 0.00 C ATOM 0 H MET A 11 -6.048 -13.595 1.552 1.00 0.00 H new ATOM 0 HA MET A 11 -5.526 -11.327 3.487 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.091 -11.273 0.892 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.908 -9.946 2.021 1.00 0.00 H new ATOM 0 HG2 MET A 11 -5.497 -9.393 0.201 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.397 -9.953 1.446 1.00 0.00 H new ATOM 0 HE1 MET A 11 -3.668 -10.477 -2.352 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.124 -9.646 -0.876 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.373 -11.185 -1.359 1.00 0.00 H new ATOM 99 N PRO A 12 -8.266 -11.240 4.033 1.00 0.00 N ATOM 100 CA PRO A 12 -9.737 -11.445 3.886 1.00 0.00 C ATOM 101 C PRO A 12 -10.353 -10.771 2.614 1.00 0.00 C ATOM 102 O PRO A 12 -9.739 -9.954 1.908 1.00 0.00 O ATOM 103 CB PRO A 12 -10.296 -10.967 5.241 1.00 0.00 C ATOM 104 CG PRO A 12 -9.282 -9.948 5.757 1.00 0.00 C ATOM 105 CD PRO A 12 -7.938 -10.473 5.252 1.00 0.00 C ATOM 0 HA PRO A 12 -10.008 -12.483 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.282 -10.517 5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.407 -11.799 5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.490 -8.949 5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.301 -9.882 6.845 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.251 -9.655 5.032 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.454 -11.104 5.998 1.00 0.00 H new ATOM 106 N MET A 13 -11.558 -11.249 2.250 1.00 0.00 N ATOM 107 CA MET A 13 -12.134 -11.033 0.885 1.00 0.00 C ATOM 108 C MET A 13 -12.337 -9.555 0.414 1.00 0.00 C ATOM 109 O MET A 13 -12.087 -9.273 -0.758 1.00 0.00 O ATOM 110 CB MET A 13 -13.372 -11.958 0.759 1.00 0.00 C ATOM 111 CG MET A 13 -14.138 -11.940 -0.585 1.00 0.00 C ATOM 112 SD MET A 13 -13.088 -11.834 -2.058 1.00 0.00 S ATOM 113 CE MET A 13 -12.199 -13.394 -2.084 1.00 0.00 C ATOM 0 H MET A 13 -12.160 -11.788 2.872 1.00 0.00 H new ATOM 0 HA MET A 13 -11.380 -11.316 0.151 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.049 -12.981 0.949 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.073 -11.693 1.550 1.00 0.00 H new ATOM 0 HG2 MET A 13 -14.745 -12.843 -0.653 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.825 -11.094 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.534 -13.420 -2.948 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.612 -13.493 -1.171 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.910 -14.217 -2.149 1.00 0.00 H new ATOM 114 N GLU A 14 -12.667 -8.598 1.298 1.00 0.00 N ATOM 115 CA GLU A 14 -12.570 -7.151 0.956 1.00 0.00 C ATOM 116 C GLU A 14 -11.141 -6.611 0.615 1.00 0.00 C ATOM 117 O GLU A 14 -11.037 -5.867 -0.348 1.00 0.00 O ATOM 118 CB GLU A 14 -13.346 -6.271 1.973 1.00 0.00 C ATOM 119 CG GLU A 14 -12.639 -5.981 3.323 1.00 0.00 C ATOM 120 CD GLU A 14 -13.452 -5.117 4.280 1.00 0.00 C ATOM 121 OE1 GLU A 14 -13.267 -3.782 4.062 1.00 0.00 O ATOM 122 OE2 GLU A 14 -14.183 -5.584 5.147 1.00 0.00 O ATOM 0 H GLU A 14 -13.000 -8.786 2.244 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.073 -7.065 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.572 -5.318 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.299 -6.755 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.410 -6.928 3.811 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.688 -5.487 3.124 1.00 0.00 H new ATOM 123 N VAL A 15 -10.047 -6.960 1.319 1.00 0.00 N ATOM 124 CA VAL A 15 -8.654 -6.565 0.915 1.00 0.00 C ATOM 125 C VAL A 15 -8.252 -7.117 -0.464 1.00 0.00 C ATOM 126 O VAL A 15 -7.722 -6.351 -1.258 1.00 0.00 O ATOM 127 CB VAL A 15 -7.553 -7.022 1.931 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.412 -6.006 2.001 1.00 0.00 C ATOM 129 CG2 VAL A 15 -7.969 -7.328 3.381 1.00 0.00 C ATOM 0 H VAL A 15 -10.085 -7.515 2.174 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.699 -5.476 0.890 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.265 -7.981 1.501 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.662 -6.349 2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.956 -5.903 1.016 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.803 -5.041 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.093 -7.630 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.407 -6.436 3.830 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.702 -8.134 3.387 1.00 0.00 H new ATOM 130 N ARG A 16 -8.447 -8.413 -0.749 1.00 0.00 N ATOM 131 CA ARG A 16 -8.181 -8.909 -2.110 1.00 0.00 C ATOM 132 C ARG A 16 -9.194 -8.468 -3.193 1.00 0.00 C ATOM 133 O ARG A 16 -8.727 -8.183 -4.280 1.00 0.00 O ATOM 134 CB ARG A 16 -7.910 -10.412 -2.128 1.00 0.00 C ATOM 135 CG ARG A 16 -6.902 -10.794 -3.231 1.00 0.00 C ATOM 136 CD ARG A 16 -7.201 -12.153 -3.842 1.00 0.00 C ATOM 137 NE ARG A 16 -6.158 -12.439 -4.845 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.102 -13.541 -5.587 1.00 0.00 C ATOM 139 NH1 ARG A 16 -6.893 -14.565 -5.447 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.214 -13.591 -6.514 1.00 0.00 N ATOM 0 H ARG A 16 -8.775 -9.114 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.262 -8.403 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.524 -10.724 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -8.845 -10.949 -2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.918 -10.035 -4.013 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.895 -10.800 -2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.211 -12.924 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.187 -12.154 -4.306 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.427 -11.741 -4.979 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.617 -14.556 -4.729 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.789 -15.377 -6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.584 -12.802 -6.659 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.139 -14.419 -7.105 1.00 0.00 H new ATOM 141 N GLU A 17 -10.502 -8.284 -2.965 1.00 0.00 N ATOM 142 CA GLU A 17 -11.321 -7.455 -3.896 1.00 0.00 C ATOM 143 C GLU A 17 -10.839 -5.975 -4.048 1.00 0.00 C ATOM 144 O GLU A 17 -10.774 -5.486 -5.165 1.00 0.00 O ATOM 145 CB GLU A 17 -12.812 -7.473 -3.510 1.00 0.00 C ATOM 146 CG GLU A 17 -13.558 -8.798 -3.787 1.00 0.00 C ATOM 147 CD GLU A 17 -15.044 -8.735 -3.459 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.756 -8.141 -4.459 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.531 -9.163 -2.419 1.00 0.00 O ATOM 0 H GLU A 17 -11.013 -8.678 -2.175 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.183 -7.929 -4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.897 -7.245 -2.448 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.318 -6.672 -4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.436 -9.062 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.098 -9.595 -3.202 1.00 0.00 H new ATOM 150 N LYS A 18 -10.463 -5.266 -2.979 1.00 0.00 N ATOM 151 CA LYS A 18 -9.838 -3.924 -3.075 1.00 0.00 C ATOM 152 C LYS A 18 -8.443 -3.889 -3.786 1.00 0.00 C ATOM 153 O LYS A 18 -8.287 -3.115 -4.724 1.00 0.00 O ATOM 154 CB LYS A 18 -9.951 -3.231 -1.701 1.00 0.00 C ATOM 155 CG LYS A 18 -11.365 -2.883 -1.157 1.00 0.00 C ATOM 156 CD LYS A 18 -11.425 -2.262 0.264 1.00 0.00 C ATOM 157 CE LYS A 18 -10.602 -2.947 1.369 1.00 0.00 C ATOM 158 NZ LYS A 18 -10.914 -2.344 2.681 1.00 0.00 N ATOM 0 H LYS A 18 -10.579 -5.597 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.397 -3.312 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.462 -3.871 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.378 -2.305 -1.749 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.837 -2.190 -1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.965 -3.793 -1.157 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.097 -1.225 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.468 -2.246 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.822 -4.014 1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.538 -2.845 1.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.079 -2.404 3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.177 -1.346 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.706 -2.856 3.119 1.00 0.00 H new ATOM 159 N LEU A 19 -7.481 -4.746 -3.423 1.00 0.00 N ATOM 160 CA LEU A 19 -6.167 -4.921 -4.103 1.00 0.00 C ATOM 161 C LEU A 19 -6.254 -5.532 -5.547 1.00 0.00 C ATOM 162 O LEU A 19 -5.532 -5.104 -6.446 1.00 0.00 O ATOM 163 CB LEU A 19 -5.299 -5.612 -3.005 1.00 0.00 C ATOM 164 CG LEU A 19 -3.754 -5.542 -3.027 1.00 0.00 C ATOM 165 CD1 LEU A 19 -3.087 -4.161 -2.884 1.00 0.00 C ATOM 166 CD2 LEU A 19 -3.265 -6.475 -1.891 1.00 0.00 C ATOM 0 H LEU A 19 -7.588 -5.365 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.675 -3.999 -4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.620 -5.205 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.567 -6.668 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.455 -5.840 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.004 -4.275 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.410 -3.515 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.375 -3.714 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.176 -6.467 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.660 -6.125 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.615 -7.490 -2.078 1.00 0.00 H new ATOM 167 N LYS A 20 -7.146 -6.510 -5.790 1.00 0.00 N ATOM 168 CA LYS A 20 -7.332 -7.175 -7.089 1.00 0.00 C ATOM 169 C LYS A 20 -8.351 -6.450 -8.024 1.00 0.00 C ATOM 170 O LYS A 20 -8.196 -6.581 -9.230 1.00 0.00 O ATOM 171 CB LYS A 20 -7.708 -8.655 -6.892 1.00 0.00 C ATOM 172 CG LYS A 20 -7.610 -9.544 -8.144 1.00 0.00 C ATOM 173 CD LYS A 20 -7.908 -11.029 -7.884 1.00 0.00 C ATOM 174 CE LYS A 20 -9.207 -11.319 -7.114 1.00 0.00 C ATOM 175 NZ LYS A 20 -9.447 -12.773 -7.075 1.00 0.00 N ATOM 0 H LYS A 20 -7.772 -6.867 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.372 -7.119 -7.603 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.062 -9.075 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.729 -8.704 -6.514 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.305 -9.171 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.608 -9.454 -8.563 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.951 -11.546 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.074 -11.457 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.136 -10.925 -6.100 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.046 -10.815 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.443 -12.954 -6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.233 -13.185 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.835 -13.207 -6.355 1.00 0.00 H new ATOM 176 N PHE A 21 -9.349 -5.670 -7.545 1.00 0.00 N ATOM 177 CA PHE A 21 -9.945 -4.567 -8.348 1.00 0.00 C ATOM 178 C PHE A 21 -8.892 -3.499 -8.621 1.00 0.00 C ATOM 179 O PHE A 21 -8.453 -3.567 -9.745 1.00 0.00 O ATOM 180 CB PHE A 21 -11.218 -3.908 -7.760 1.00 0.00 C ATOM 181 CG PHE A 21 -12.472 -4.760 -7.697 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.785 -5.711 -8.669 1.00 0.00 C ATOM 183 CD2 PHE A 21 -13.312 -4.588 -6.601 1.00 0.00 C ATOM 184 CE1 PHE A 21 -13.874 -6.546 -8.494 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.408 -5.415 -6.427 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.697 -6.404 -7.373 1.00 0.00 C ATOM 0 H PHE A 21 -9.757 -5.779 -6.617 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.280 -5.046 -9.268 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.988 -3.570 -6.750 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.442 -3.019 -8.350 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.177 -5.795 -9.558 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -13.108 -3.807 -5.884 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -14.089 -7.310 -9.226 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -15.041 -5.297 -5.560 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.550 -7.053 -7.238 1.00 0.00 H new ATOM 187 N ARG A 22 -8.417 -2.602 -7.738 1.00 0.00 N ATOM 188 CA ARG A 22 -7.175 -1.780 -7.960 1.00 0.00 C ATOM 189 C ARG A 22 -6.236 -2.267 -9.146 1.00 0.00 C ATOM 190 O ARG A 22 -6.300 -1.671 -10.222 1.00 0.00 O ATOM 191 CB ARG A 22 -6.559 -1.599 -6.537 1.00 0.00 C ATOM 192 CG ARG A 22 -5.254 -0.786 -6.397 1.00 0.00 C ATOM 193 CD ARG A 22 -5.353 0.730 -6.223 1.00 0.00 C ATOM 194 NE ARG A 22 -5.265 1.188 -4.817 1.00 0.00 N ATOM 195 CZ ARG A 22 -5.616 2.405 -4.398 1.00 0.00 C ATOM 196 NH1 ARG A 22 -6.186 3.312 -5.135 1.00 0.00 N ATOM 197 NH2 ARG A 22 -5.362 2.721 -3.183 1.00 0.00 N ATOM 0 H ARG A 22 -8.871 -2.414 -6.844 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.390 -0.796 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.313 -1.127 -5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.377 -2.592 -6.126 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.707 -1.183 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.647 -0.979 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.557 1.203 -6.798 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.298 1.072 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.913 0.529 -4.123 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.397 3.115 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.422 4.220 -4.735 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.904 2.050 -2.567 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.618 3.644 -2.832 1.00 0.00 H new ATOM 198 N ALA A 23 -5.718 -3.514 -9.072 1.00 0.00 N ATOM 199 CA ALA A 23 -5.254 -4.320 -10.247 1.00 0.00 C ATOM 200 C ALA A 23 -6.190 -4.505 -11.511 1.00 0.00 C ATOM 201 O ALA A 23 -5.971 -3.839 -12.522 1.00 0.00 O ATOM 202 CB ALA A 23 -4.718 -5.629 -9.628 1.00 0.00 C ATOM 0 H ALA A 23 -5.605 -4.005 -8.185 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.499 -3.738 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.355 -6.284 -10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.901 -5.400 -8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.519 -6.128 -9.083 1.00 0.00 H new ATOM 203 N GLU A 24 -7.188 -5.403 -11.469 1.00 0.00 N ATOM 204 CA GLU A 24 -8.145 -5.701 -12.589 1.00 0.00 C ATOM 205 C GLU A 24 -9.182 -4.603 -13.015 1.00 0.00 C ATOM 206 O GLU A 24 -9.502 -4.482 -14.198 1.00 0.00 O ATOM 207 CB GLU A 24 -8.908 -7.026 -12.292 1.00 0.00 C ATOM 208 CG GLU A 24 -8.034 -8.289 -12.090 1.00 0.00 C ATOM 209 CD GLU A 24 -8.800 -9.607 -12.140 1.00 0.00 C ATOM 210 OE1 GLU A 24 -9.053 -10.007 -13.415 1.00 0.00 O ATOM 211 OE2 GLU A 24 -9.144 -10.245 -11.152 1.00 0.00 O ATOM 0 H GLU A 24 -7.371 -5.967 -10.639 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.479 -5.762 -13.450 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.511 -6.880 -11.396 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.598 -7.215 -13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.259 -8.305 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.528 -8.214 -11.127 1.00 0.00 H new ATOM 229 N ARG A 28 -3.062 -3.377 -13.870 1.00 0.00 N ATOM 230 CA ARG A 28 -1.918 -4.036 -13.164 1.00 0.00 C ATOM 231 C ARG A 28 -2.461 -5.434 -12.692 1.00 0.00 C ATOM 232 O ARG A 28 -3.666 -5.633 -12.534 1.00 0.00 O ATOM 233 CB ARG A 28 -1.358 -3.045 -12.092 1.00 0.00 C ATOM 234 CG ARG A 28 -0.800 -1.670 -12.568 1.00 0.00 C ATOM 235 CD ARG A 28 -0.025 -0.752 -11.576 1.00 0.00 C ATOM 236 NE ARG A 28 -0.848 -0.107 -10.520 1.00 0.00 N ATOM 237 CZ ARG A 28 -0.449 0.691 -9.545 1.00 0.00 C ATOM 238 NH1 ARG A 28 0.750 1.130 -9.391 1.00 0.00 N ATOM 239 NH2 ARG A 28 -1.333 1.054 -8.690 1.00 0.00 N ATOM 0 HA ARG A 28 -1.036 -4.253 -13.767 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.155 -2.849 -11.374 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.561 -3.557 -11.552 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.138 -1.865 -13.412 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.643 -1.094 -12.950 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.753 -1.344 -11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.477 0.029 -12.148 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.848 -0.305 -10.552 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.479 0.864 -10.053 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.972 1.744 -8.607 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.295 0.727 -8.781 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.074 1.670 -7.919 1.00 0.00 H new ATOM 240 N SER A 29 -1.629 -6.469 -12.557 1.00 0.00 N ATOM 241 CA SER A 29 -2.142 -7.867 -12.362 1.00 0.00 C ATOM 242 C SER A 29 -1.555 -8.365 -11.033 1.00 0.00 C ATOM 243 O SER A 29 -0.343 -8.509 -10.980 1.00 0.00 O ATOM 244 CB SER A 29 -1.748 -8.711 -13.595 1.00 0.00 C ATOM 245 OG SER A 29 -2.273 -10.035 -13.480 1.00 0.00 O ATOM 0 H SER A 29 -0.612 -6.390 -12.576 1.00 0.00 H new ATOM 0 HA SER A 29 -3.228 -7.934 -12.293 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.127 -8.240 -14.502 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.662 -8.750 -13.685 1.00 0.00 H new ATOM 0 HG SER A 29 -2.017 -10.558 -14.268 1.00 0.00 H new ATOM 246 N MET A 30 -2.309 -8.474 -9.925 1.00 0.00 N ATOM 247 CA MET A 30 -1.795 -8.098 -8.574 1.00 0.00 C ATOM 248 C MET A 30 -0.325 -8.417 -8.162 1.00 0.00 C ATOM 249 O MET A 30 0.319 -7.558 -7.594 1.00 0.00 O ATOM 250 CB MET A 30 -2.690 -8.670 -7.474 1.00 0.00 C ATOM 251 CG MET A 30 -3.595 -7.731 -6.712 1.00 0.00 C ATOM 252 SD MET A 30 -3.128 -7.925 -4.997 1.00 0.00 S ATOM 253 CE MET A 30 -4.670 -8.497 -4.384 1.00 0.00 C ATOM 0 H MET A 30 -3.270 -8.815 -9.926 1.00 0.00 H new ATOM 0 HA MET A 30 -1.812 -7.013 -8.677 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.317 -9.439 -7.925 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.046 -9.168 -6.750 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.463 -6.701 -7.043 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.644 -7.983 -6.866 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.563 -8.781 -3.337 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.413 -7.704 -4.470 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.994 -9.362 -4.964 1.00 0.00 H new ATOM 254 N ASN A 31 0.273 -9.584 -8.387 1.00 0.00 N ATOM 255 CA ASN A 31 1.758 -9.698 -8.257 1.00 0.00 C ATOM 256 C ASN A 31 2.573 -8.517 -8.963 1.00 0.00 C ATOM 257 O ASN A 31 3.277 -7.793 -8.262 1.00 0.00 O ATOM 258 CB ASN A 31 2.157 -11.148 -8.629 1.00 0.00 C ATOM 259 CG ASN A 31 3.594 -11.587 -8.362 1.00 0.00 C ATOM 260 OD1 ASN A 31 4.201 -12.264 -9.180 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.176 -11.270 -7.236 1.00 0.00 N ATOM 0 H ASN A 31 -0.208 -10.444 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 31 2.062 -9.535 -7.223 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.495 -11.825 -8.089 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.957 -11.287 -9.692 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.127 -11.587 -7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.679 -10.706 -6.546 1.00 0.00 H new ATOM 262 N SER A 32 2.244 -8.155 -10.223 1.00 0.00 N ATOM 263 CA SER A 32 2.269 -6.731 -10.706 1.00 0.00 C ATOM 264 C SER A 32 1.596 -5.638 -9.811 1.00 0.00 C ATOM 265 O SER A 32 2.338 -4.861 -9.211 1.00 0.00 O ATOM 266 CB SER A 32 1.933 -6.662 -12.219 1.00 0.00 C ATOM 267 OG SER A 32 1.802 -5.314 -12.687 1.00 0.00 O ATOM 0 H SER A 32 1.955 -8.824 -10.937 1.00 0.00 H new ATOM 0 HA SER A 32 3.304 -6.413 -10.578 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.716 -7.166 -12.786 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.005 -7.201 -12.408 1.00 0.00 H new ATOM 0 HG SER A 32 2.589 -4.796 -12.418 1.00 0.00 H new ATOM 268 N GLU A 33 0.263 -5.508 -9.689 1.00 0.00 N ATOM 269 CA GLU A 33 -0.311 -4.340 -8.941 1.00 0.00 C ATOM 270 C GLU A 33 -0.028 -4.196 -7.433 1.00 0.00 C ATOM 271 O GLU A 33 0.409 -3.121 -7.025 1.00 0.00 O ATOM 272 CB GLU A 33 -1.835 -4.279 -9.020 1.00 0.00 C ATOM 273 CG GLU A 33 -2.398 -2.862 -8.734 1.00 0.00 C ATOM 274 CD GLU A 33 -2.635 -2.524 -7.267 1.00 0.00 C ATOM 275 OE1 GLU A 33 -3.183 -3.275 -6.465 1.00 0.00 O ATOM 276 OE2 GLU A 33 -2.172 -1.285 -6.962 1.00 0.00 O ATOM 0 H GLU A 33 -0.423 -6.157 -10.074 1.00 0.00 H new ATOM 0 HA GLU A 33 0.220 -3.547 -9.468 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.155 -4.598 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.259 -4.984 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.708 -2.127 -9.149 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.341 -2.752 -9.269 1.00 0.00 H new ATOM 277 N LEU A 34 -0.345 -5.233 -6.613 1.00 0.00 N ATOM 278 CA LEU A 34 0.164 -5.396 -5.235 1.00 0.00 C ATOM 279 C LEU A 34 1.636 -4.898 -5.223 1.00 0.00 C ATOM 280 O LEU A 34 1.865 -3.945 -4.506 1.00 0.00 O ATOM 281 CB LEU A 34 0.001 -6.881 -4.770 1.00 0.00 C ATOM 282 CG LEU A 34 -0.331 -7.272 -3.300 1.00 0.00 C ATOM 283 CD1 LEU A 34 -0.030 -8.728 -2.913 1.00 0.00 C ATOM 284 CD2 LEU A 34 0.190 -6.449 -2.123 1.00 0.00 C ATOM 0 H LEU A 34 -0.970 -5.986 -6.900 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.405 -4.804 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.781 -7.317 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.931 -7.390 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.392 -7.049 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.299 -8.890 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.610 -9.400 -3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.033 -8.928 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.155 -6.891 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.280 -6.440 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.182 -5.427 -2.200 1.00 0.00 H new ATOM 285 N LEU A 35 2.585 -5.355 -6.102 1.00 0.00 N ATOM 286 CA LEU A 35 3.959 -4.799 -6.073 1.00 0.00 C ATOM 287 C LEU A 35 4.083 -3.302 -6.387 1.00 0.00 C ATOM 288 O LEU A 35 4.715 -2.575 -5.633 1.00 0.00 O ATOM 289 CB LEU A 35 4.942 -5.557 -6.994 1.00 0.00 C ATOM 290 CG LEU A 35 5.590 -6.821 -6.421 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.584 -7.327 -7.451 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.310 -6.490 -5.100 1.00 0.00 C ATOM 0 H LEU A 35 2.425 -6.075 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 35 4.227 -4.940 -5.026 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.411 -5.831 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.737 -4.869 -7.283 1.00 0.00 H new ATOM 0 HG LEU A 35 4.838 -7.582 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.067 -8.230 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.061 -7.553 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.338 -6.562 -7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.768 -7.394 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.082 -5.743 -5.284 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.590 -6.099 -4.381 1.00 0.00 H new ATOM 293 N GLN A 36 3.518 -2.847 -7.497 1.00 0.00 N ATOM 294 CA GLN A 36 3.628 -1.424 -7.904 1.00 0.00 C ATOM 295 C GLN A 36 2.964 -0.423 -6.926 1.00 0.00 C ATOM 296 O GLN A 36 3.571 0.627 -6.688 1.00 0.00 O ATOM 297 CB GLN A 36 3.129 -1.226 -9.354 1.00 0.00 C ATOM 298 CG GLN A 36 4.088 -1.594 -10.507 1.00 0.00 C ATOM 299 CD GLN A 36 4.309 -3.079 -10.768 1.00 0.00 C ATOM 300 OE1 GLN A 36 3.782 -3.687 -11.695 1.00 0.00 O ATOM 301 NE2 GLN A 36 5.081 -3.710 -9.930 1.00 0.00 N ATOM 0 H GLN A 36 2.978 -3.427 -8.139 1.00 0.00 H new ATOM 0 HA GLN A 36 4.691 -1.186 -7.863 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.218 -1.812 -9.477 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.852 -0.178 -9.472 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.708 -1.141 -11.423 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.056 -1.137 -10.303 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.519 -3.204 -9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.248 -4.710 -10.044 1.00 0.00 H new ATOM 302 N ILE A 37 1.820 -0.752 -6.286 1.00 0.00 N ATOM 303 CA ILE A 37 1.425 -0.023 -5.066 1.00 0.00 C ATOM 304 C ILE A 37 2.274 -0.370 -3.815 1.00 0.00 C ATOM 305 O ILE A 37 2.521 0.578 -3.141 1.00 0.00 O ATOM 306 CB ILE A 37 -0.104 -0.106 -4.771 1.00 0.00 C ATOM 307 CG1 ILE A 37 -0.586 1.031 -3.834 1.00 0.00 C ATOM 308 CG2 ILE A 37 -0.474 -1.475 -4.164 1.00 0.00 C ATOM 309 CD1 ILE A 37 -2.099 1.272 -3.820 1.00 0.00 C ATOM 0 H ILE A 37 1.178 -1.488 -6.580 1.00 0.00 H new ATOM 0 HA ILE A 37 1.649 1.019 -5.294 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.612 0.013 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.262 0.804 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.090 1.956 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.546 -1.508 -3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.209 -2.267 -4.864 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.071 -1.619 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.331 2.087 -3.134 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.435 1.535 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.609 0.366 -3.493 1.00 0.00 H new ATOM 310 N VAL A 38 2.660 -1.585 -3.429 1.00 0.00 N ATOM 311 CA VAL A 38 3.442 -1.927 -2.181 1.00 0.00 C ATOM 312 C VAL A 38 4.881 -1.348 -2.163 1.00 0.00 C ATOM 313 O VAL A 38 5.288 -0.722 -1.182 1.00 0.00 O ATOM 314 CB VAL A 38 3.605 -3.478 -2.134 1.00 0.00 C ATOM 315 CG1 VAL A 38 4.739 -4.214 -1.381 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.306 -4.163 -1.745 1.00 0.00 C ATOM 0 H VAL A 38 2.441 -2.413 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 38 2.890 -1.504 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 38 3.934 -3.576 -3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.621 -5.290 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.704 -3.904 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.692 -3.966 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.456 -5.242 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.995 -3.819 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.534 -3.920 -2.475 1.00 0.00 H new ATOM 317 N GLN A 39 5.651 -1.572 -3.267 1.00 0.00 N ATOM 318 CA GLN A 39 6.819 -0.741 -3.618 1.00 0.00 C ATOM 319 C GLN A 39 6.435 0.737 -3.489 1.00 0.00 C ATOM 320 O GLN A 39 6.973 1.314 -2.553 1.00 0.00 O ATOM 321 CB GLN A 39 7.311 -1.032 -5.064 1.00 0.00 C ATOM 322 CG GLN A 39 8.007 -2.377 -5.332 1.00 0.00 C ATOM 323 CD GLN A 39 8.404 -2.607 -6.790 1.00 0.00 C ATOM 324 OE1 GLN A 39 7.930 -3.508 -7.470 1.00 0.00 O ATOM 325 NE2 GLN A 39 9.296 -1.813 -7.323 1.00 0.00 N ATOM 0 H GLN A 39 5.474 -2.329 -3.927 1.00 0.00 H new ATOM 0 HA GLN A 39 7.634 -0.982 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.451 -0.962 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.000 -0.237 -5.349 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.901 -2.439 -4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.344 -3.183 -5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 39 9.701 -1.057 -6.771 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.587 -1.949 -8.291 1.00 0.00 H new ATOM 326 N ASP A 40 5.400 1.274 -4.195 1.00 0.00 N ATOM 327 CA ASP A 40 4.795 2.574 -3.770 1.00 0.00 C ATOM 328 C ASP A 40 4.671 2.867 -2.247 1.00 0.00 C ATOM 329 O ASP A 40 5.204 3.852 -1.727 1.00 0.00 O ATOM 330 CB ASP A 40 3.627 3.130 -4.625 1.00 0.00 C ATOM 331 CG ASP A 40 3.472 4.643 -4.475 1.00 0.00 C ATOM 332 OD1 ASP A 40 4.400 5.329 -5.202 1.00 0.00 O ATOM 333 OD2 ASP A 40 2.652 5.162 -3.727 1.00 0.00 O ATOM 0 H ASP A 40 4.981 0.852 -5.024 1.00 0.00 H new ATOM 0 HA ASP A 40 5.636 3.207 -4.051 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.798 2.886 -5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.699 2.640 -4.331 1.00 0.00 H new ATOM 334 N ALA A 41 3.999 1.945 -1.582 1.00 0.00 N ATOM 335 CA ALA A 41 3.204 2.236 -0.394 1.00 0.00 C ATOM 336 C ALA A 41 3.927 2.281 0.969 1.00 0.00 C ATOM 337 O ALA A 41 3.489 2.969 1.893 1.00 0.00 O ATOM 338 CB ALA A 41 1.962 1.330 -0.505 1.00 0.00 C ATOM 0 H ALA A 41 3.987 0.961 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 41 2.916 3.287 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.314 1.493 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.418 1.569 -1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.274 0.286 -0.531 1.00 0.00 H new ATOM 566 N PRO B 5 -8.852 -16.561 -0.231 1.00 0.00 N ATOM 567 CA PRO B 5 -7.735 -17.474 -0.560 1.00 0.00 C ATOM 568 C PRO B 5 -6.297 -16.839 -0.531 1.00 0.00 C ATOM 569 O PRO B 5 -6.057 -15.702 -0.082 1.00 0.00 O ATOM 570 CB PRO B 5 -8.223 -18.009 -1.934 1.00 0.00 C ATOM 571 CG PRO B 5 -9.709 -17.651 -2.018 1.00 0.00 C ATOM 572 CD PRO B 5 -9.816 -16.348 -1.316 1.00 0.00 C ATOM 0 HA PRO B 5 -7.557 -18.253 0.181 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -7.664 -17.553 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -8.076 -19.086 -2.009 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -10.041 -17.573 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -10.328 -18.411 -1.541 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -9.545 -15.507 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -10.823 -16.156 -0.946 1.00 0.00 H new ATOM 573 N HIS B 6 -5.349 -17.662 -0.994 1.00 0.00 N ATOM 574 CA HIS B 6 -3.915 -17.302 -1.118 1.00 0.00 C ATOM 575 C HIS B 6 -3.570 -16.815 -2.582 1.00 0.00 C ATOM 576 O HIS B 6 -4.037 -17.413 -3.559 1.00 0.00 O ATOM 577 CB HIS B 6 -3.065 -18.580 -0.830 1.00 0.00 C ATOM 578 CG HIS B 6 -3.128 -19.194 0.569 1.00 0.00 C ATOM 579 ND1 HIS B 6 -4.095 -20.109 0.958 1.00 0.00 N ATOM 580 CD2 HIS B 6 -2.243 -18.935 1.626 1.00 0.00 C ATOM 581 CE1 HIS B 6 -3.722 -20.286 2.266 1.00 0.00 C ATOM 582 NE2 HIS B 6 -2.601 -19.665 2.745 1.00 0.00 N ATOM 0 H HIS B 6 -5.551 -18.614 -1.300 1.00 0.00 H new ATOM 0 HA HIS B 6 -3.697 -16.498 -0.415 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -3.366 -19.347 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -2.023 -18.340 -1.041 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -1.401 -18.261 1.574 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -4.312 -20.914 2.917 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -2.158 -19.723 3.662 1.00 0.00 H new ATOM 583 N PHE B 7 -2.649 -15.851 -2.780 1.00 0.00 N ATOM 584 CA PHE B 7 -1.732 -15.875 -3.961 1.00 0.00 C ATOM 585 C PHE B 7 -0.219 -15.706 -3.563 1.00 0.00 C ATOM 586 O PHE B 7 0.146 -15.225 -2.484 1.00 0.00 O ATOM 587 CB PHE B 7 -2.252 -14.934 -5.091 1.00 0.00 C ATOM 588 CG PHE B 7 -1.830 -13.455 -5.073 1.00 0.00 C ATOM 589 CD1 PHE B 7 -0.608 -13.069 -5.645 1.00 0.00 C ATOM 590 CD2 PHE B 7 -2.654 -12.469 -4.515 1.00 0.00 C ATOM 591 CE1 PHE B 7 -0.215 -11.745 -5.619 1.00 0.00 C ATOM 592 CE2 PHE B 7 -2.279 -11.135 -4.562 1.00 0.00 C ATOM 593 CZ PHE B 7 -1.070 -10.781 -5.142 1.00 0.00 C ATOM 0 H PHE B 7 -2.513 -15.056 -2.156 1.00 0.00 H new ATOM 0 HA PHE B 7 -1.752 -16.873 -4.398 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -1.935 -15.356 -6.045 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.341 -14.967 -5.074 1.00 0.00 H new ATOM 0 HD1 PHE B 7 0.028 -13.810 -6.107 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -3.586 -12.749 -4.046 1.00 0.00 H new ATOM 0 HE1 PHE B 7 0.766 -11.467 -5.974 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.926 -10.375 -4.149 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.798 -9.739 -5.219 1.00 0.00 H new ATOM 594 N ASN B 8 0.689 -16.071 -4.479 1.00 0.00 N ATOM 595 CA ASN B 8 2.146 -15.805 -4.325 1.00 0.00 C ATOM 596 C ASN B 8 2.548 -14.286 -4.298 1.00 0.00 C ATOM 597 O ASN B 8 2.660 -13.626 -5.334 1.00 0.00 O ATOM 598 CB ASN B 8 2.915 -16.619 -5.409 1.00 0.00 C ATOM 599 CG ASN B 8 2.607 -16.336 -6.888 1.00 0.00 C ATOM 600 OD1 ASN B 8 1.599 -16.780 -7.423 1.00 0.00 O ATOM 601 ND2 ASN B 8 3.438 -15.612 -7.594 1.00 0.00 N ATOM 0 H ASN B 8 0.448 -16.555 -5.344 1.00 0.00 H new ATOM 0 HA ASN B 8 2.438 -16.143 -3.331 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.981 -16.454 -5.254 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.726 -17.677 -5.227 1.00 0.00 H new ATOM 0 HD21 ASN B 8 3.242 -15.424 -8.577 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.281 -15.236 -7.161 1.00 0.00 H new ATOM 602 N PHE B 9 2.848 -13.755 -3.108 1.00 0.00 N ATOM 603 CA PHE B 9 3.612 -12.516 -2.943 1.00 0.00 C ATOM 604 C PHE B 9 4.801 -12.807 -2.010 1.00 0.00 C ATOM 605 O PHE B 9 4.666 -12.810 -0.790 1.00 0.00 O ATOM 606 CB PHE B 9 2.597 -11.453 -2.459 1.00 0.00 C ATOM 607 CG PHE B 9 2.989 -10.076 -2.945 1.00 0.00 C ATOM 608 CD1 PHE B 9 2.915 -9.780 -4.314 1.00 0.00 C ATOM 609 CD2 PHE B 9 3.202 -9.036 -2.037 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.074 -8.482 -4.748 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.431 -7.753 -2.480 1.00 0.00 C ATOM 612 CZ PHE B 9 3.260 -7.479 -3.815 1.00 0.00 C ATOM 0 H PHE B 9 2.564 -14.178 -2.224 1.00 0.00 H new ATOM 0 HA PHE B 9 4.068 -12.124 -3.852 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.601 -11.702 -2.824 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.549 -11.459 -1.370 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.733 -10.570 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE B 9 3.187 -9.241 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE B 9 3.054 -8.251 -5.803 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.738 -6.979 -1.793 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.271 -6.451 -4.145 1.00 0.00 H new ATOM 613 N ARG B 10 6.060 -12.920 -2.416 1.00 0.00 N ATOM 614 CA ARG B 10 6.598 -13.054 -3.800 1.00 0.00 C ATOM 615 C ARG B 10 6.993 -11.651 -4.342 1.00 0.00 C ATOM 616 O ARG B 10 6.180 -10.921 -4.914 1.00 0.00 O ATOM 617 CB ARG B 10 5.931 -14.003 -4.821 1.00 0.00 C ATOM 618 CG ARG B 10 6.931 -14.792 -5.704 1.00 0.00 C ATOM 619 CD ARG B 10 7.934 -14.001 -6.562 1.00 0.00 C ATOM 620 NE ARG B 10 7.248 -13.239 -7.637 1.00 0.00 N ATOM 621 CZ ARG B 10 7.852 -12.611 -8.639 1.00 0.00 C ATOM 622 NH1 ARG B 10 9.138 -12.597 -8.826 1.00 0.00 N ATOM 623 NH2 ARG B 10 7.117 -11.989 -9.489 1.00 0.00 N ATOM 0 H ARG B 10 6.817 -12.922 -1.733 1.00 0.00 H new ATOM 0 HA ARG B 10 7.483 -13.676 -3.667 1.00 0.00 H new ATOM 0 HB2 ARG B 10 5.301 -14.712 -4.283 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.275 -13.420 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG B 10 7.502 -15.452 -5.050 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.352 -15.429 -6.373 1.00 0.00 H new ATOM 0 HD2 ARG B 10 8.494 -13.314 -5.928 1.00 0.00 H new ATOM 0 HD3 ARG B 10 8.656 -14.687 -7.005 1.00 0.00 H new ATOM 0 HE ARG B 10 6.230 -13.195 -7.603 1.00 0.00 H new ATOM 0 HH11 ARG B 10 9.753 -13.091 -8.179 1.00 0.00 H new ATOM 0 HH12 ARG B 10 9.532 -12.092 -9.620 1.00 0.00 H new ATOM 0 HH21 ARG B 10 6.103 -11.988 -9.382 1.00 0.00 H new ATOM 0 HH22 ARG B 10 7.548 -11.496 -10.271 1.00 0.00 H new ATOM 624 N MET B 11 8.237 -11.257 -4.045 1.00 0.00 N ATOM 625 CA MET B 11 8.643 -9.831 -4.065 1.00 0.00 C ATOM 626 C MET B 11 10.152 -9.704 -4.463 1.00 0.00 C ATOM 627 O MET B 11 10.978 -10.254 -3.726 1.00 0.00 O ATOM 628 CB MET B 11 8.418 -9.271 -2.630 1.00 0.00 C ATOM 629 CG MET B 11 7.035 -8.699 -2.295 1.00 0.00 C ATOM 630 SD MET B 11 6.940 -8.514 -0.512 1.00 0.00 S ATOM 631 CE MET B 11 5.637 -9.681 -0.102 1.00 0.00 C ATOM 0 H MET B 11 8.986 -11.899 -3.787 1.00 0.00 H new ATOM 0 HA MET B 11 8.058 -9.272 -4.796 1.00 0.00 H new ATOM 0 HB2 MET B 11 8.630 -10.071 -1.921 1.00 0.00 H new ATOM 0 HB3 MET B 11 9.156 -8.487 -2.457 1.00 0.00 H new ATOM 0 HG2 MET B 11 6.889 -7.738 -2.788 1.00 0.00 H new ATOM 0 HG3 MET B 11 6.249 -9.364 -2.653 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.792 -9.145 0.330 1.00 0.00 H new ATOM 0 HE2 MET B 11 5.315 -10.199 -1.005 1.00 0.00 H new ATOM 0 HE3 MET B 11 6.013 -10.408 0.618 1.00 0.00 H new ATOM 632 N PRO B 12 10.593 -8.951 -5.521 1.00 0.00 N ATOM 633 CA PRO B 12 12.013 -8.520 -5.690 1.00 0.00 C ATOM 634 C PRO B 12 12.764 -8.051 -4.411 1.00 0.00 C ATOM 635 O PRO B 12 12.158 -7.474 -3.500 1.00 0.00 O ATOM 636 CB PRO B 12 11.905 -7.436 -6.779 1.00 0.00 C ATOM 637 CG PRO B 12 10.672 -7.831 -7.592 1.00 0.00 C ATOM 638 CD PRO B 12 9.706 -8.393 -6.551 1.00 0.00 C ATOM 0 HA PRO B 12 12.647 -9.365 -5.959 1.00 0.00 H new ATOM 0 HB2 PRO B 12 11.791 -6.444 -6.342 1.00 0.00 H new ATOM 0 HB3 PRO B 12 12.799 -7.409 -7.402 1.00 0.00 H new ATOM 0 HG2 PRO B 12 10.245 -6.973 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO B 12 10.916 -8.574 -8.352 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.059 -7.616 -6.144 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.057 -9.158 -6.978 1.00 0.00 H new ATOM 639 N MET B 13 14.062 -8.373 -4.306 1.00 0.00 N ATOM 640 CA MET B 13 14.761 -8.361 -2.987 1.00 0.00 C ATOM 641 C MET B 13 14.749 -7.038 -2.148 1.00 0.00 C ATOM 642 O MET B 13 14.635 -7.115 -0.923 1.00 0.00 O ATOM 643 CB MET B 13 16.158 -8.985 -3.201 1.00 0.00 C ATOM 644 CG MET B 13 17.095 -9.120 -1.982 1.00 0.00 C ATOM 645 SD MET B 13 16.307 -9.672 -0.445 1.00 0.00 S ATOM 646 CE MET B 13 15.345 -11.132 -0.876 1.00 0.00 C ATOM 0 H MET B 13 14.650 -8.642 -5.095 1.00 0.00 H new ATOM 0 HA MET B 13 14.162 -8.966 -2.306 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.016 -9.980 -3.623 1.00 0.00 H new ATOM 0 HB3 MET B 13 16.676 -8.390 -3.954 1.00 0.00 H new ATOM 0 HG2 MET B 13 17.890 -9.822 -2.234 1.00 0.00 H new ATOM 0 HG3 MET B 13 17.567 -8.154 -1.801 1.00 0.00 H new ATOM 0 HE1 MET B 13 15.480 -11.896 -0.110 1.00 0.00 H new ATOM 0 HE2 MET B 13 14.290 -10.866 -0.941 1.00 0.00 H new ATOM 0 HE3 MET B 13 15.682 -11.519 -1.838 1.00 0.00 H new ATOM 647 N GLU B 14 14.744 -5.846 -2.776 1.00 0.00 N ATOM 648 CA GLU B 14 14.348 -4.596 -2.069 1.00 0.00 C ATOM 649 C GLU B 14 12.893 -4.567 -1.498 1.00 0.00 C ATOM 650 O GLU B 14 12.760 -4.291 -0.318 1.00 0.00 O ATOM 651 CB GLU B 14 14.752 -3.316 -2.860 1.00 0.00 C ATOM 652 CG GLU B 14 13.873 -2.917 -4.079 1.00 0.00 C ATOM 653 CD GLU B 14 14.165 -1.551 -4.704 1.00 0.00 C ATOM 654 OE1 GLU B 14 13.903 -0.523 -3.848 1.00 0.00 O ATOM 655 OE2 GLU B 14 14.545 -1.397 -5.860 1.00 0.00 O ATOM 0 H GLU B 14 15.003 -5.715 -3.754 1.00 0.00 H new ATOM 0 HA GLU B 14 14.947 -4.598 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU B 14 14.760 -2.478 -2.163 1.00 0.00 H new ATOM 0 HB3 GLU B 14 15.775 -3.447 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU B 14 13.990 -3.679 -4.850 1.00 0.00 H new ATOM 0 HG3 GLU B 14 12.828 -2.936 -3.769 1.00 0.00 H new ATOM 656 N VAL B 15 11.812 -4.875 -2.236 1.00 0.00 N ATOM 657 CA VAL B 15 10.412 -4.896 -1.686 1.00 0.00 C ATOM 658 C VAL B 15 10.219 -5.862 -0.506 1.00 0.00 C ATOM 659 O VAL B 15 9.564 -5.486 0.457 1.00 0.00 O ATOM 660 CB VAL B 15 9.326 -5.262 -2.762 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.036 -4.469 -2.492 1.00 0.00 C ATOM 662 CG2 VAL B 15 9.722 -5.146 -4.255 1.00 0.00 C ATOM 0 H VAL B 15 11.865 -5.117 -3.225 1.00 0.00 H new ATOM 0 HA VAL B 15 10.274 -3.870 -1.344 1.00 0.00 H new ATOM 0 HB VAL B 15 9.186 -6.334 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.287 -4.727 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.658 -4.716 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.248 -3.401 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL B 15 8.875 -5.430 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.008 -4.118 -4.477 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.562 -5.809 -4.461 1.00 0.00 H new ATOM 663 N ARG B 16 10.729 -7.095 -0.580 1.00 0.00 N ATOM 664 CA ARG B 16 10.680 -7.989 0.581 1.00 0.00 C ATOM 665 C ARG B 16 11.678 -7.681 1.718 1.00 0.00 C ATOM 666 O ARG B 16 11.253 -7.820 2.852 1.00 0.00 O ATOM 667 CB ARG B 16 10.698 -9.465 0.167 1.00 0.00 C ATOM 668 CG ARG B 16 9.643 -10.238 0.996 1.00 0.00 C ATOM 669 CD ARG B 16 10.124 -11.643 1.237 1.00 0.00 C ATOM 670 NE ARG B 16 9.163 -12.385 2.083 1.00 0.00 N ATOM 671 CZ ARG B 16 9.308 -13.661 2.427 1.00 0.00 C ATOM 672 NH1 ARG B 16 10.226 -14.449 1.953 1.00 0.00 N ATOM 673 NH2 ARG B 16 8.497 -14.147 3.292 1.00 0.00 N ATOM 0 H ARG B 16 11.171 -7.490 -1.410 1.00 0.00 H new ATOM 0 HA ARG B 16 9.713 -7.774 1.036 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.482 -9.559 -0.897 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.689 -9.889 0.330 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.471 -9.733 1.947 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.690 -10.254 0.467 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.251 -12.158 0.285 1.00 0.00 H new ATOM 0 HD3 ARG B 16 11.101 -11.621 1.720 1.00 0.00 H new ATOM 0 HE ARG B 16 8.340 -11.888 2.423 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.897 -14.098 1.270 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.276 -15.419 2.264 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.768 -13.558 3.695 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.581 -15.123 3.578 1.00 0.00 H new ATOM 674 N GLU B 17 12.913 -7.194 1.526 1.00 0.00 N ATOM 675 CA GLU B 17 13.632 -6.552 2.671 1.00 0.00 C ATOM 676 C GLU B 17 12.941 -5.255 3.212 1.00 0.00 C ATOM 677 O GLU B 17 12.869 -5.079 4.421 1.00 0.00 O ATOM 678 CB GLU B 17 15.095 -6.245 2.308 1.00 0.00 C ATOM 679 CG GLU B 17 16.035 -7.470 2.243 1.00 0.00 C ATOM 680 CD GLU B 17 17.469 -7.111 1.868 1.00 0.00 C ATOM 681 OE1 GLU B 17 17.877 -7.023 0.715 1.00 0.00 O ATOM 682 OE2 GLU B 17 18.251 -6.895 2.959 1.00 0.00 O ATOM 0 H GLU B 17 13.425 -7.221 0.644 1.00 0.00 H new ATOM 0 HA GLU B 17 13.596 -7.287 3.475 1.00 0.00 H new ATOM 0 HB2 GLU B 17 15.113 -5.743 1.341 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.493 -5.542 3.040 1.00 0.00 H new ATOM 0 HG2 GLU B 17 16.035 -7.971 3.211 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.644 -8.181 1.516 1.00 0.00 H new ATOM 683 N LYS B 18 12.385 -4.377 2.368 1.00 0.00 N ATOM 684 CA LYS B 18 11.535 -3.252 2.810 1.00 0.00 C ATOM 685 C LYS B 18 10.229 -3.689 3.559 1.00 0.00 C ATOM 686 O LYS B 18 10.082 -3.344 4.728 1.00 0.00 O ATOM 687 CB LYS B 18 11.331 -2.281 1.629 1.00 0.00 C ATOM 688 CG LYS B 18 12.522 -1.508 0.999 1.00 0.00 C ATOM 689 CD LYS B 18 12.144 -0.582 -0.193 1.00 0.00 C ATOM 690 CE LYS B 18 11.311 -1.224 -1.318 1.00 0.00 C ATOM 691 NZ LYS B 18 11.152 -0.331 -2.479 1.00 0.00 N ATOM 0 H LYS B 18 12.509 -4.422 1.357 1.00 0.00 H new ATOM 0 HA LYS B 18 12.056 -2.703 3.594 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.864 -2.852 0.827 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.605 -1.535 1.954 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.995 -0.904 1.774 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.265 -2.229 0.659 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.590 0.271 0.199 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.064 -0.192 -0.628 1.00 0.00 H new ATOM 0 HE2 LYS B 18 11.790 -2.150 -1.638 1.00 0.00 H new ATOM 0 HE3 LYS B 18 10.328 -1.491 -0.931 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 10.380 -0.680 -3.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 10.928 0.630 -2.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.036 -0.312 -3.026 1.00 0.00 H new ATOM 692 N LEU B 19 9.314 -4.453 2.942 1.00 0.00 N ATOM 693 CA LEU B 19 8.092 -5.005 3.588 1.00 0.00 C ATOM 694 C LEU B 19 8.351 -5.965 4.793 1.00 0.00 C ATOM 695 O LEU B 19 7.624 -5.901 5.785 1.00 0.00 O ATOM 696 CB LEU B 19 7.228 -5.542 2.414 1.00 0.00 C ATOM 697 CG LEU B 19 5.704 -5.727 2.598 1.00 0.00 C ATOM 698 CD1 LEU B 19 4.848 -4.489 2.893 1.00 0.00 C ATOM 699 CD2 LEU B 19 5.217 -6.337 1.276 1.00 0.00 C ATOM 0 H LEU B 19 9.396 -4.715 1.960 1.00 0.00 H new ATOM 0 HA LEU B 19 7.534 -4.242 4.130 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.373 -4.868 1.570 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.639 -6.509 2.124 1.00 0.00 H new ATOM 0 HG LEU B 19 5.578 -6.331 3.497 1.00 0.00 H new ATOM 0 HD11 LEU B 19 3.804 -4.785 2.995 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.186 -4.025 3.820 1.00 0.00 H new ATOM 0 HD13 LEU B 19 4.945 -3.776 2.074 1.00 0.00 H new ATOM 0 HD21 LEU B 19 4.140 -6.500 1.325 1.00 0.00 H new ATOM 0 HD22 LEU B 19 5.444 -5.656 0.456 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.721 -7.289 1.107 1.00 0.00 H new ATOM 700 N LYS B 20 9.393 -6.815 4.736 1.00 0.00 N ATOM 701 CA LYS B 20 9.749 -7.768 5.798 1.00 0.00 C ATOM 702 C LYS B 20 10.650 -7.168 6.922 1.00 0.00 C ATOM 703 O LYS B 20 10.500 -7.608 8.056 1.00 0.00 O ATOM 704 CB LYS B 20 10.378 -9.047 5.215 1.00 0.00 C ATOM 705 CG LYS B 20 10.299 -10.301 6.104 1.00 0.00 C ATOM 706 CD LYS B 20 10.813 -11.596 5.439 1.00 0.00 C ATOM 707 CE LYS B 20 12.077 -11.450 4.576 1.00 0.00 C ATOM 708 NZ LYS B 20 12.519 -12.772 4.096 1.00 0.00 N ATOM 0 H LYS B 20 10.022 -6.858 3.934 1.00 0.00 H new ATOM 0 HA LYS B 20 8.806 -8.024 6.280 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.891 -9.268 4.265 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.427 -8.846 4.996 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.874 -10.122 7.013 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.263 -10.451 6.407 1.00 0.00 H new ATOM 0 HD2 LYS B 20 11.013 -12.329 6.221 1.00 0.00 H new ATOM 0 HD3 LYS B 20 10.016 -12.003 4.817 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.874 -10.796 3.728 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.871 -10.981 5.157 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.493 -12.703 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.487 -13.455 4.880 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 11.890 -13.092 3.332 1.00 0.00 H new ATOM 709 N PHE B 21 11.544 -6.174 6.678 1.00 0.00 N ATOM 710 CA PHE B 21 12.038 -5.275 7.760 1.00 0.00 C ATOM 711 C PHE B 21 10.887 -4.442 8.298 1.00 0.00 C ATOM 712 O PHE B 21 10.443 -4.861 9.338 1.00 0.00 O ATOM 713 CB PHE B 21 13.211 -4.336 7.380 1.00 0.00 C ATOM 714 CG PHE B 21 14.543 -4.971 7.056 1.00 0.00 C ATOM 715 CD1 PHE B 21 14.960 -6.185 7.601 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.340 -4.318 6.121 1.00 0.00 C ATOM 717 CE1 PHE B 21 16.111 -6.791 7.134 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.496 -4.917 5.657 1.00 0.00 C ATOM 719 CZ PHE B 21 16.889 -6.164 6.154 1.00 0.00 C ATOM 0 H PHE B 21 11.934 -5.975 5.757 1.00 0.00 H new ATOM 0 HA PHE B 21 12.444 -5.949 8.514 1.00 0.00 H new ATOM 0 HB2 PHE B 21 12.902 -3.746 6.517 1.00 0.00 H new ATOM 0 HB3 PHE B 21 13.363 -3.639 8.204 1.00 0.00 H new ATOM 0 HD1 PHE B 21 14.384 -6.651 8.387 1.00 0.00 H new ATOM 0 HD2 PHE B 21 15.055 -3.342 5.757 1.00 0.00 H new ATOM 0 HE1 PHE B 21 16.411 -7.751 7.527 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.097 -4.421 4.909 1.00 0.00 H new ATOM 0 HZ PHE B 21 17.786 -6.639 5.784 1.00 0.00 H new ATOM 720 N ARG B 22 10.350 -3.372 7.701 1.00 0.00 N ATOM 721 CA ARG B 22 9.095 -2.695 8.167 1.00 0.00 C ATOM 722 C ARG B 22 8.138 -3.549 9.099 1.00 0.00 C ATOM 723 O ARG B 22 8.082 -3.247 10.288 1.00 0.00 O ATOM 724 CB ARG B 22 8.532 -2.019 6.890 1.00 0.00 C ATOM 725 CG ARG B 22 7.594 -0.817 7.094 1.00 0.00 C ATOM 726 CD ARG B 22 6.200 -1.207 7.587 1.00 0.00 C ATOM 727 NE ARG B 22 5.177 -0.263 7.091 1.00 0.00 N ATOM 728 CZ ARG B 22 4.906 0.943 7.570 1.00 0.00 C ATOM 729 NH1 ARG B 22 5.519 1.495 8.574 1.00 0.00 N ATOM 730 NH2 ARG B 22 3.972 1.596 6.984 1.00 0.00 N ATOM 0 H ARG B 22 10.762 -2.936 6.876 1.00 0.00 H new ATOM 0 HA ARG B 22 9.275 -1.930 8.922 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.374 -1.692 6.280 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.996 -2.774 6.315 1.00 0.00 H new ATOM 0 HG2 ARG B 22 8.046 -0.132 7.811 1.00 0.00 H new ATOM 0 HG3 ARG B 22 7.499 -0.276 6.152 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.961 -2.216 7.251 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.187 -1.222 8.677 1.00 0.00 H new ATOM 0 HE ARG B 22 4.620 -0.573 6.295 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.268 0.994 9.052 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.251 2.429 8.884 1.00 0.00 H new ATOM 0 HH21 ARG B 22 3.480 1.182 6.192 1.00 0.00 H new ATOM 0 HH22 ARG B 22 3.720 2.529 7.310 1.00 0.00 H new ATOM 731 N ALA B 23 7.732 -4.768 8.676 1.00 0.00 N ATOM 732 CA ALA B 23 7.310 -5.876 9.589 1.00 0.00 C ATOM 733 C ALA B 23 8.271 -6.300 10.779 1.00 0.00 C ATOM 734 O ALA B 23 8.039 -5.898 11.919 1.00 0.00 O ATOM 735 CB ALA B 23 6.921 -7.037 8.647 1.00 0.00 C ATOM 0 H ALA B 23 7.685 -5.020 7.689 1.00 0.00 H new ATOM 0 HA ALA B 23 6.483 -5.514 10.200 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.598 -7.893 9.239 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.108 -6.719 7.995 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.783 -7.319 8.042 1.00 0.00 H new ATOM 736 N GLU B 24 9.315 -7.111 10.529 1.00 0.00 N ATOM 737 CA GLU B 24 10.298 -7.601 11.552 1.00 0.00 C ATOM 738 C GLU B 24 11.242 -6.564 12.265 1.00 0.00 C ATOM 739 O GLU B 24 11.542 -6.713 13.450 1.00 0.00 O ATOM 740 CB GLU B 24 11.140 -8.756 10.931 1.00 0.00 C ATOM 741 CG GLU B 24 10.397 -9.999 10.354 1.00 0.00 C ATOM 742 CD GLU B 24 9.414 -10.737 11.264 1.00 0.00 C ATOM 743 OE1 GLU B 24 9.929 -10.995 12.496 1.00 0.00 O ATOM 744 OE2 GLU B 24 8.291 -11.082 10.910 1.00 0.00 O ATOM 0 H GLU B 24 9.516 -7.461 9.592 1.00 0.00 H new ATOM 0 HA GLU B 24 9.660 -7.922 12.376 1.00 0.00 H new ATOM 0 HB2 GLU B 24 11.744 -8.331 10.129 1.00 0.00 H new ATOM 0 HB3 GLU B 24 11.830 -9.110 11.697 1.00 0.00 H new ATOM 0 HG2 GLU B 24 9.853 -9.679 9.465 1.00 0.00 H new ATOM 0 HG3 GLU B 24 11.150 -10.715 10.026 1.00 0.00 H new ATOM 745 N ALA B 25 11.690 -5.518 11.556 1.00 0.00 N ATOM 746 CA ALA B 25 12.085 -4.206 12.132 1.00 0.00 C ATOM 747 C ALA B 25 11.182 -3.658 13.318 1.00 0.00 C ATOM 748 O ALA B 25 11.712 -3.220 14.340 1.00 0.00 O ATOM 749 CB ALA B 25 12.003 -3.141 11.016 1.00 0.00 C ATOM 0 H ALA B 25 11.793 -5.552 10.542 1.00 0.00 H new ATOM 0 HA ALA B 25 13.081 -4.376 12.540 1.00 0.00 H new ATOM 0 HB1 ALA B 25 12.289 -2.169 11.419 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.679 -3.411 10.205 1.00 0.00 H new ATOM 0 HB3 ALA B 25 10.983 -3.090 10.636 1.00 0.00 H new ATOM 750 N ASN B 26 9.831 -3.632 13.133 1.00 0.00 N ATOM 751 CA ASN B 26 8.872 -3.027 14.106 1.00 0.00 C ATOM 752 C ASN B 26 8.200 -4.010 15.138 1.00 0.00 C ATOM 753 O ASN B 26 8.082 -3.677 16.319 1.00 0.00 O ATOM 754 CB ASN B 26 7.900 -2.139 13.253 1.00 0.00 C ATOM 755 CG ASN B 26 6.421 -2.499 13.121 1.00 0.00 C ATOM 756 OD1 ASN B 26 5.573 -2.111 13.914 1.00 0.00 O ATOM 757 ND2 ASN B 26 6.073 -3.188 12.078 1.00 0.00 N ATOM 0 H ASN B 26 9.377 -4.028 12.310 1.00 0.00 H new ATOM 0 HA ASN B 26 9.411 -2.410 14.826 1.00 0.00 H new ATOM 0 HB2 ASN B 26 7.948 -1.129 13.661 1.00 0.00 H new ATOM 0 HB3 ASN B 26 8.310 -2.095 12.244 1.00 0.00 H new ATOM 0 HD21 ASN B 26 5.090 -3.408 11.917 1.00 0.00 H new ATOM 0 HD22 ASN B 26 6.782 -3.510 11.419 1.00 0.00 H new ATOM 758 N GLY B 27 7.685 -5.159 14.673 1.00 0.00 N ATOM 759 CA GLY B 27 6.684 -5.983 15.424 1.00 0.00 C ATOM 760 C GLY B 27 5.369 -6.414 14.707 1.00 0.00 C ATOM 761 O GLY B 27 4.446 -6.873 15.381 1.00 0.00 O ATOM 0 H GLY B 27 7.941 -5.555 13.769 1.00 0.00 H new ATOM 0 HA2 GLY B 27 7.189 -6.889 15.758 1.00 0.00 H new ATOM 0 HA3 GLY B 27 6.404 -5.426 16.318 1.00 0.00 H new ATOM 762 N ARG B 28 5.265 -6.316 13.374 1.00 0.00 N ATOM 763 CA ARG B 28 4.161 -6.915 12.569 1.00 0.00 C ATOM 764 C ARG B 28 4.847 -8.046 11.729 1.00 0.00 C ATOM 765 O ARG B 28 6.046 -8.012 11.453 1.00 0.00 O ATOM 766 CB ARG B 28 3.448 -5.748 11.827 1.00 0.00 C ATOM 767 CG ARG B 28 2.796 -4.646 12.721 1.00 0.00 C ATOM 768 CD ARG B 28 1.966 -3.550 12.012 1.00 0.00 C ATOM 769 NE ARG B 28 2.728 -2.692 11.074 1.00 0.00 N ATOM 770 CZ ARG B 28 3.142 -1.452 11.311 1.00 0.00 C ATOM 771 NH1 ARG B 28 3.053 -0.848 12.458 1.00 0.00 N ATOM 772 NH2 ARG B 28 3.670 -0.813 10.335 1.00 0.00 N ATOM 0 H ARG B 28 5.948 -5.815 12.806 1.00 0.00 H new ATOM 0 HA ARG B 28 3.346 -7.402 13.105 1.00 0.00 H new ATOM 0 HB2 ARG B 28 4.173 -5.268 11.170 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.672 -6.173 11.190 1.00 0.00 H new ATOM 0 HG2 ARG B 28 2.150 -5.140 13.447 1.00 0.00 H new ATOM 0 HG3 ARG B 28 3.591 -4.155 13.283 1.00 0.00 H new ATOM 0 HD2 ARG B 28 1.154 -4.028 11.464 1.00 0.00 H new ATOM 0 HD3 ARG B 28 1.508 -2.915 12.771 1.00 0.00 H new ATOM 0 HE ARG B 28 2.955 -3.090 10.163 1.00 0.00 H new ATOM 0 HH11 ARG B 28 2.641 -1.329 13.257 1.00 0.00 H new ATOM 0 HH12 ARG B 28 3.395 0.108 12.559 1.00 0.00 H new ATOM 0 HH21 ARG B 28 3.758 -1.259 9.422 1.00 0.00 H new ATOM 0 HH22 ARG B 28 4.002 0.142 10.471 1.00 0.00 H new ATOM 773 N SER B 29 4.157 -9.136 11.393 1.00 0.00 N ATOM 774 CA SER B 29 4.838 -10.351 10.829 1.00 0.00 C ATOM 775 C SER B 29 4.259 -10.538 9.421 1.00 0.00 C ATOM 776 O SER B 29 3.059 -10.767 9.363 1.00 0.00 O ATOM 777 CB SER B 29 4.630 -11.562 11.773 1.00 0.00 C ATOM 778 OG SER B 29 3.261 -11.966 11.869 1.00 0.00 O ATOM 0 H SER B 29 3.146 -9.225 11.491 1.00 0.00 H new ATOM 0 HA SER B 29 5.920 -10.245 10.754 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.227 -12.401 11.416 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.999 -11.309 12.767 1.00 0.00 H new ATOM 0 HG SER B 29 2.807 -11.787 11.019 1.00 0.00 H new ATOM 779 N MET B 30 4.973 -10.315 8.304 1.00 0.00 N ATOM 780 CA MET B 30 4.365 -9.658 7.102 1.00 0.00 C ATOM 781 C MET B 30 2.928 -10.078 6.662 1.00 0.00 C ATOM 782 O MET B 30 2.143 -9.192 6.405 1.00 0.00 O ATOM 783 CB MET B 30 5.206 -9.813 5.833 1.00 0.00 C ATOM 784 CG MET B 30 6.561 -9.177 5.740 1.00 0.00 C ATOM 785 SD MET B 30 7.459 -10.059 4.450 1.00 0.00 S ATOM 786 CE MET B 30 7.269 -8.873 3.124 1.00 0.00 C ATOM 0 H MET B 30 5.955 -10.569 8.195 1.00 0.00 H new ATOM 0 HA MET B 30 4.322 -8.641 7.491 1.00 0.00 H new ATOM 0 HB2 MET B 30 5.339 -10.881 5.663 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.612 -9.429 5.004 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.476 -8.118 5.497 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.086 -9.244 6.693 1.00 0.00 H new ATOM 0 HE1 MET B 30 7.241 -9.397 2.169 1.00 0.00 H new ATOM 0 HE2 MET B 30 6.341 -8.319 3.262 1.00 0.00 H new ATOM 0 HE3 MET B 30 8.110 -8.180 3.133 1.00 0.00 H new ATOM 787 N ASN B 31 2.460 -11.329 6.617 1.00 0.00 N ATOM 788 CA ASN B 31 0.982 -11.572 6.494 1.00 0.00 C ATOM 789 C ASN B 31 0.062 -10.722 7.477 1.00 0.00 C ATOM 790 O ASN B 31 -0.852 -10.060 6.994 1.00 0.00 O ATOM 791 CB ASN B 31 0.680 -13.093 6.462 1.00 0.00 C ATOM 792 CG ASN B 31 -0.388 -13.507 5.451 1.00 0.00 C ATOM 793 OD1 ASN B 31 -0.147 -14.299 4.553 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.556 -12.928 5.493 1.00 0.00 N ATOM 0 H ASN B 31 3.037 -12.169 6.660 1.00 0.00 H new ATOM 0 HA ASN B 31 0.682 -11.166 5.528 1.00 0.00 H new ATOM 0 HB2 ASN B 31 1.602 -13.629 6.237 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.363 -13.408 7.456 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.256 -13.139 4.781 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -1.770 -12.265 6.238 1.00 0.00 H new ATOM 795 N SER B 32 0.439 -10.575 8.762 1.00 0.00 N ATOM 796 CA SER B 32 0.205 -9.331 9.565 1.00 0.00 C ATOM 797 C SER B 32 0.696 -7.953 8.996 1.00 0.00 C ATOM 798 O SER B 32 -0.182 -7.148 8.687 1.00 0.00 O ATOM 799 CB SER B 32 0.576 -9.614 11.043 1.00 0.00 C ATOM 800 OG SER B 32 0.489 -8.445 11.864 1.00 0.00 O ATOM 0 H SER B 32 0.916 -11.309 9.285 1.00 0.00 H new ATOM 0 HA SER B 32 -0.863 -9.128 9.481 1.00 0.00 H new ATOM 0 HB2 SER B 32 -0.087 -10.383 11.440 1.00 0.00 H new ATOM 0 HB3 SER B 32 1.590 -10.012 11.090 1.00 0.00 H new ATOM 0 HG SER B 32 0.730 -8.674 12.786 1.00 0.00 H new ATOM 801 N GLU B 33 1.997 -7.614 8.847 1.00 0.00 N ATOM 802 CA GLU B 33 2.376 -6.248 8.319 1.00 0.00 C ATOM 803 C GLU B 33 1.916 -5.895 6.882 1.00 0.00 C ATOM 804 O GLU B 33 1.234 -4.896 6.708 1.00 0.00 O ATOM 805 CB GLU B 33 3.880 -5.980 8.293 1.00 0.00 C ATOM 806 CG GLU B 33 4.317 -4.488 8.402 1.00 0.00 C ATOM 807 CD GLU B 33 3.648 -3.412 7.555 1.00 0.00 C ATOM 808 OE1 GLU B 33 4.041 -3.458 6.254 1.00 0.00 O ATOM 809 OE2 GLU B 33 2.847 -2.598 7.993 1.00 0.00 O ATOM 0 H GLU B 33 2.784 -8.224 9.069 1.00 0.00 H new ATOM 0 HA GLU B 33 1.842 -5.637 9.047 1.00 0.00 H new ATOM 0 HB2 GLU B 33 4.340 -6.532 9.112 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.284 -6.388 7.367 1.00 0.00 H new ATOM 0 HG2 GLU B 33 4.196 -4.195 9.445 1.00 0.00 H new ATOM 0 HG3 GLU B 33 5.384 -4.451 8.182 1.00 0.00 H new ATOM 810 N LEU B 34 2.336 -6.666 5.855 1.00 0.00 N ATOM 811 CA LEU B 34 1.747 -6.672 4.504 1.00 0.00 C ATOM 812 C LEU B 34 0.221 -6.440 4.602 1.00 0.00 C ATOM 813 O LEU B 34 -0.182 -5.401 4.112 1.00 0.00 O ATOM 814 CB LEU B 34 2.107 -7.995 3.770 1.00 0.00 C ATOM 815 CG LEU B 34 2.509 -8.001 2.278 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.301 -9.357 1.595 1.00 0.00 C ATOM 817 CD2 LEU B 34 1.851 -6.969 1.336 1.00 0.00 C ATOM 0 H LEU B 34 3.115 -7.318 5.949 1.00 0.00 H new ATOM 0 HA LEU B 34 2.163 -5.858 3.910 1.00 0.00 H new ATOM 0 HB2 LEU B 34 2.928 -8.452 4.322 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.248 -8.658 3.870 1.00 0.00 H new ATOM 0 HG LEU B 34 3.558 -7.729 2.393 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.604 -9.288 0.550 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.903 -10.114 2.098 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.248 -9.635 1.650 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.236 -7.101 0.325 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.771 -7.115 1.334 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.081 -5.961 1.683 1.00 0.00 H new ATOM 818 N LEU B 35 -0.611 -7.239 5.336 1.00 0.00 N ATOM 819 CA LEU B 35 -2.055 -6.901 5.425 1.00 0.00 C ATOM 820 C LEU B 35 -2.394 -5.553 6.063 1.00 0.00 C ATOM 821 O LEU B 35 -3.191 -4.803 5.515 1.00 0.00 O ATOM 822 CB LEU B 35 -2.926 -7.962 6.135 1.00 0.00 C ATOM 823 CG LEU B 35 -3.500 -9.077 5.256 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.490 -9.831 6.137 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.247 -8.461 4.044 1.00 0.00 C ATOM 0 H LEU B 35 -0.323 -8.074 5.846 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.298 -6.859 4.363 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.329 -8.422 6.922 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.756 -7.451 6.622 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.717 -9.730 4.872 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.938 -10.645 5.567 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -3.969 -10.239 7.003 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.272 -9.149 6.472 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.653 -9.259 3.423 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -5.061 -7.830 4.401 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.553 -7.861 3.456 1.00 0.00 H new ATOM 826 N GLN B 36 -1.816 -5.286 7.220 1.00 0.00 N ATOM 827 CA GLN B 36 -1.940 -3.988 7.888 1.00 0.00 C ATOM 828 C GLN B 36 -1.512 -2.764 6.995 1.00 0.00 C ATOM 829 O GLN B 36 -2.354 -1.888 6.813 1.00 0.00 O ATOM 830 CB GLN B 36 -1.228 -4.187 9.260 1.00 0.00 C ATOM 831 CG GLN B 36 -1.620 -3.179 10.365 1.00 0.00 C ATOM 832 CD GLN B 36 -1.506 -1.723 9.962 1.00 0.00 C ATOM 833 OE1 GLN B 36 -2.504 -1.023 9.851 1.00 0.00 O ATOM 834 NE2 GLN B 36 -0.330 -1.277 9.596 1.00 0.00 N ATOM 0 H GLN B 36 -1.245 -5.960 7.730 1.00 0.00 H new ATOM 0 HA GLN B 36 -2.972 -3.688 8.069 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -1.442 -5.194 9.618 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -0.151 -4.127 9.103 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -2.647 -3.378 10.672 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -0.988 -3.351 11.236 1.00 0.00 H new ATOM 0 HE21 GLN B 36 0.494 -1.871 9.694 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -0.238 -0.336 9.213 1.00 0.00 H new ATOM 835 N ILE B 37 -0.316 -2.703 6.371 1.00 0.00 N ATOM 836 CA ILE B 37 -0.023 -1.661 5.338 1.00 0.00 C ATOM 837 C ILE B 37 -0.878 -1.730 4.039 1.00 0.00 C ATOM 838 O ILE B 37 -0.929 -0.727 3.371 1.00 0.00 O ATOM 839 CB ILE B 37 1.496 -1.579 4.949 1.00 0.00 C ATOM 840 CG1 ILE B 37 1.904 -0.143 4.498 1.00 0.00 C ATOM 841 CG2 ILE B 37 1.854 -2.652 3.884 1.00 0.00 C ATOM 842 CD1 ILE B 37 3.341 0.042 3.997 1.00 0.00 C ATOM 0 H ILE B 37 0.455 -3.345 6.553 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.318 -0.749 5.857 1.00 0.00 H new ATOM 0 HB ILE B 37 2.080 -1.798 5.843 1.00 0.00 H new ATOM 0 HG12 ILE B 37 1.225 0.170 3.705 1.00 0.00 H new ATOM 0 HG13 ILE B 37 1.747 0.534 5.338 1.00 0.00 H new ATOM 0 HG21 ILE B 37 2.911 -2.575 3.631 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.648 -3.645 4.284 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.254 -2.490 2.989 1.00 0.00 H new ATOM 0 HD11 ILE B 37 3.497 1.083 3.715 1.00 0.00 H new ATOM 0 HD12 ILE B 37 4.040 -0.228 4.789 1.00 0.00 H new ATOM 0 HD13 ILE B 37 3.510 -0.598 3.131 1.00 0.00 H new ATOM 843 N VAL B 38 -1.338 -2.887 3.572 1.00 0.00 N ATOM 844 CA VAL B 38 -2.157 -3.081 2.343 1.00 0.00 C ATOM 845 C VAL B 38 -3.637 -2.592 2.569 1.00 0.00 C ATOM 846 O VAL B 38 -4.203 -1.870 1.756 1.00 0.00 O ATOM 847 CB VAL B 38 -2.104 -4.601 2.031 1.00 0.00 C ATOM 848 CG1 VAL B 38 -3.192 -5.284 1.209 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.767 -5.018 1.408 1.00 0.00 C ATOM 0 H VAL B 38 -1.150 -3.767 4.051 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.770 -2.496 1.509 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.274 -4.955 3.048 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.961 -6.345 1.110 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -4.153 -5.167 1.709 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -3.240 -4.829 0.220 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.777 -6.089 1.208 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.616 -4.476 0.475 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.044 -4.786 2.098 1.00 0.00 H new ATOM 850 N GLN B 39 -4.255 -2.985 3.702 1.00 0.00 N ATOM 851 CA GLN B 39 -5.380 -2.258 4.342 1.00 0.00 C ATOM 852 C GLN B 39 -5.099 -0.732 4.593 1.00 0.00 C ATOM 853 O GLN B 39 -5.934 0.085 4.203 1.00 0.00 O ATOM 854 CB GLN B 39 -5.721 -3.067 5.633 1.00 0.00 C ATOM 855 CG GLN B 39 -6.358 -4.470 5.400 1.00 0.00 C ATOM 856 CD GLN B 39 -6.684 -5.307 6.638 1.00 0.00 C ATOM 857 OE1 GLN B 39 -7.795 -5.783 6.827 1.00 0.00 O ATOM 858 NE2 GLN B 39 -5.730 -5.562 7.494 1.00 0.00 N ATOM 0 H GLN B 39 -3.985 -3.828 4.208 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.241 -2.214 3.676 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.807 -3.195 6.212 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -6.404 -2.474 6.242 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -7.279 -4.332 4.834 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.681 -5.048 4.771 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -4.798 -5.172 7.350 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -5.917 -6.151 8.306 1.00 0.00 H new ATOM 859 N ASP B 40 -3.899 -0.328 5.081 1.00 0.00 N ATOM 860 CA ASP B 40 -3.369 1.053 4.862 1.00 0.00 C ATOM 861 C ASP B 40 -3.302 1.557 3.379 1.00 0.00 C ATOM 862 O ASP B 40 -3.631 2.707 3.098 1.00 0.00 O ATOM 863 CB ASP B 40 -2.094 1.475 5.640 1.00 0.00 C ATOM 864 CG ASP B 40 -1.939 1.209 7.138 1.00 0.00 C ATOM 865 OD1 ASP B 40 -3.061 1.476 7.863 1.00 0.00 O ATOM 866 OD2 ASP B 40 -0.872 0.855 7.629 1.00 0.00 O ATOM 0 H ASP B 40 -3.280 -0.929 5.625 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.190 1.585 5.342 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -1.250 0.995 5.145 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -1.978 2.549 5.497 1.00 0.00 H new ATOM 867 N ALA B 41 -2.874 0.704 2.448 1.00 0.00 N ATOM 868 CA ALA B 41 -2.582 1.063 1.040 1.00 0.00 C ATOM 869 C ALA B 41 -3.831 1.404 0.166 1.00 0.00 C ATOM 870 O ALA B 41 -3.819 2.333 -0.641 1.00 0.00 O ATOM 871 CB ALA B 41 -1.653 -0.042 0.492 1.00 0.00 C ATOM 0 H ALA B 41 -2.713 -0.283 2.647 1.00 0.00 H new ATOM 0 HA ALA B 41 -2.069 2.024 0.994 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -1.405 0.173 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.738 -0.075 1.084 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -2.159 -1.006 0.552 1.00 0.00 H new ATOM 872 N LEU B 42 -4.903 0.651 0.404 1.00 0.00 N ATOM 873 CA LEU B 42 -6.251 0.847 -0.196 1.00 0.00 C ATOM 874 C LEU B 42 -7.153 1.871 0.570 1.00 0.00 C ATOM 875 O LEU B 42 -7.896 2.618 -0.070 1.00 0.00 O ATOM 876 CB LEU B 42 -6.938 -0.545 -0.333 1.00 0.00 C ATOM 877 CG LEU B 42 -6.074 -1.708 -0.894 1.00 0.00 C ATOM 878 CD1 LEU B 42 -6.528 -3.080 -0.394 1.00 0.00 C ATOM 879 CD2 LEU B 42 -5.945 -1.612 -2.415 1.00 0.00 C ATOM 0 H LEU B 42 -4.871 -0.145 1.041 1.00 0.00 H new ATOM 0 HA LEU B 42 -6.115 1.299 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -7.305 -0.840 0.650 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -7.810 -0.430 -0.977 1.00 0.00 H new ATOM 0 HG LEU B 42 -5.067 -1.596 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -5.887 -3.853 -0.819 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -6.461 -3.111 0.694 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -7.560 -3.255 -0.699 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -5.335 -2.438 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -6.935 -1.663 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.472 -0.667 -2.681 1.00 0.00 H new