USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 848 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 130 HIS : no HE2:sc= 0.99 K(o=2,f=-2.7) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 1.05 K(o=2,f=-6.9!) USER MOD Set 2.1: A 4 THR OG1 : rot -76:sc= 0.748 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.657 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.465 USER MOD Set 3.2: A 100 THR OG1 : rot -69:sc= 0.505 USER MOD Set 4.1: A 20 TYR OH : rot 15:sc= 0.0648 USER MOD Set 4.2: A 81 TYR OH : rot 156:sc= 0.527 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0343 (180deg=-0.357) USER MOD Single : A 1 MET N :NH3+ -168:sc=-0.00625 (180deg=-0.17) USER MOD Single : A 2 ASN : amide:sc=-0.00915 X(o=-0.0092,f=0) USER MOD Single : A 7 THR OG1 : rot -140:sc= -0.0873 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -76:sc= 0.148 USER MOD Single : A 22 THR OG1 : rot 56:sc= 1.13 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 34:sc= 0.56 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 120:sc= 0 USER MOD Single : A 71 THR OG1 : rot 173:sc= -0.461 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0.942 (180deg=0.858) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.27) USER MOD Single : A 116 GLN : amide:sc= -0.0793 X(o=-0.079,f=-0.43) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 125 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.5!) USER MOD Single : A 126 ASN : amide:sc= -0.0295 K(o=-0.03,f=-1.2!) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -35:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.809 12.199 13.872 1.00 0.00 N ATOM 2 CA MET A 1 -0.259 12.809 12.667 1.00 0.00 C ATOM 3 C MET A 1 -0.605 11.982 11.433 1.00 0.00 C ATOM 4 O MET A 1 -0.267 10.803 11.350 1.00 0.00 O ATOM 5 CB MET A 1 1.255 12.964 12.796 1.00 0.00 C ATOM 6 CG MET A 1 1.700 13.896 13.915 1.00 0.00 C ATOM 7 SD MET A 1 1.147 15.595 13.665 1.00 0.00 S ATOM 8 CE MET A 1 2.148 16.074 12.260 1.00 0.00 C ATOM 0 H1 MET A 1 -0.741 12.871 14.663 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.807 11.952 13.712 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.272 11.338 14.101 1.00 0.00 H new ATOM 0 HA MET A 1 -0.704 13.797 12.550 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.696 11.981 12.962 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.652 13.336 11.851 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.312 13.528 14.865 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.788 13.879 13.986 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.139 17.159 12.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.172 15.732 12.409 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.743 15.623 11.354 1.00 0.00 H new ATOM 20 N ASN A 2 -1.282 12.610 10.477 1.00 0.00 N ATOM 21 CA ASN A 2 -1.620 11.950 9.221 1.00 0.00 C ATOM 22 C ASN A 2 -0.580 12.258 8.148 1.00 0.00 C ATOM 23 O ASN A 2 -0.222 13.416 7.930 1.00 0.00 O ATOM 24 CB ASN A 2 -3.005 12.343 8.741 1.00 0.00 C ATOM 25 CG ASN A 2 -4.114 11.877 9.645 1.00 0.00 C ATOM 26 OD1 ASN A 2 -4.325 10.673 9.831 1.00 0.00 O ATOM 27 ND2 ASN A 2 -4.872 12.821 10.141 1.00 0.00 N ATOM 0 H ASN A 2 -1.607 13.574 10.548 1.00 0.00 H new ATOM 0 HA ASN A 2 -1.621 10.876 9.407 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.054 13.428 8.650 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.164 11.932 7.744 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -5.682 12.578 10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -4.653 13.800 9.957 1.00 0.00 H new ATOM 34 N ILE A 3 -0.100 11.215 7.480 1.00 0.00 N ATOM 35 CA ILE A 3 0.860 11.378 6.396 1.00 0.00 C ATOM 36 C ILE A 3 0.217 11.089 5.044 1.00 0.00 C ATOM 37 O ILE A 3 -0.467 10.079 4.872 1.00 0.00 O ATOM 38 CB ILE A 3 2.082 10.460 6.580 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.817 10.803 7.879 1.00 0.00 C ATOM 40 CG2 ILE A 3 3.019 10.576 5.388 1.00 0.00 C ATOM 41 CD1 ILE A 3 3.904 9.819 8.244 1.00 0.00 C ATOM 0 H ILE A 3 -0.360 10.247 7.671 1.00 0.00 H new ATOM 0 HA ILE A 3 1.192 12.416 6.423 1.00 0.00 H new ATOM 0 HB ILE A 3 1.734 9.429 6.643 1.00 0.00 H new ATOM 0 HG12 ILE A 3 3.256 11.796 7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.094 10.849 8.693 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.877 9.920 5.535 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.491 10.284 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.361 11.606 5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 3 4.378 10.129 9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.469 8.827 8.371 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.650 9.789 7.449 1.00 0.00 H new ATOM 53 N THR A 4 0.442 11.981 4.083 1.00 0.00 N ATOM 54 CA THR A 4 -0.051 11.784 2.726 1.00 0.00 C ATOM 55 C THR A 4 1.101 11.652 1.738 1.00 0.00 C ATOM 56 O THR A 4 2.030 12.460 1.739 1.00 0.00 O ATOM 57 CB THR A 4 -0.965 12.942 2.284 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.102 13.016 3.155 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.439 12.729 0.855 1.00 0.00 C ATOM 0 H THR A 4 0.963 12.847 4.221 1.00 0.00 H new ATOM 0 HA THR A 4 -0.629 10.860 2.731 1.00 0.00 H new ATOM 0 HB THR A 4 -0.399 13.872 2.334 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.730 12.296 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.084 13.556 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.577 12.684 0.189 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.996 11.794 0.792 1.00 0.00 H new ATOM 67 N VAL A 5 1.035 10.630 0.892 1.00 0.00 N ATOM 68 CA VAL A 5 2.055 10.412 -0.127 1.00 0.00 C ATOM 69 C VAL A 5 1.423 10.159 -1.492 1.00 0.00 C ATOM 70 O VAL A 5 0.311 9.643 -1.586 1.00 0.00 O ATOM 71 CB VAL A 5 2.970 9.228 0.233 1.00 0.00 C ATOM 72 CG1 VAL A 5 4.048 9.046 -0.826 1.00 0.00 C ATOM 73 CG2 VAL A 5 3.600 9.438 1.601 1.00 0.00 C ATOM 0 H VAL A 5 0.285 9.939 0.892 1.00 0.00 H new ATOM 0 HA VAL A 5 2.656 11.321 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 5 2.363 8.323 0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.686 8.205 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.581 8.851 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.651 9.952 -0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.244 8.591 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.192 10.353 1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.816 9.521 2.354 1.00 0.00 H new ATOM 83 N GLU A 6 2.142 10.527 -2.549 1.00 0.00 N ATOM 84 CA GLU A 6 1.621 10.410 -3.904 1.00 0.00 C ATOM 85 C GLU A 6 2.673 9.826 -4.843 1.00 0.00 C ATOM 86 O GLU A 6 3.848 10.191 -4.783 1.00 0.00 O ATOM 87 CB GLU A 6 1.152 11.772 -4.419 1.00 0.00 C ATOM 88 CG GLU A 6 -0.045 12.347 -3.677 1.00 0.00 C ATOM 89 CD GLU A 6 -0.423 13.700 -4.212 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.392 14.590 -4.151 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.481 13.818 -4.783 1.00 0.00 O ATOM 0 H GLU A 6 3.086 10.908 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 6 0.768 9.732 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.980 12.478 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.899 11.680 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.893 11.668 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.187 12.426 -2.615 1.00 0.00 H new ATOM 98 N THR A 7 2.243 8.916 -5.712 1.00 0.00 N ATOM 99 CA THR A 7 3.119 8.366 -6.738 1.00 0.00 C ATOM 100 C THR A 7 2.379 8.197 -8.060 1.00 0.00 C ATOM 101 O THR A 7 1.280 7.642 -8.102 1.00 0.00 O ATOM 102 CB THR A 7 3.705 7.007 -6.313 1.00 0.00 C ATOM 103 OG1 THR A 7 4.444 7.163 -5.094 1.00 0.00 O ATOM 104 CG2 THR A 7 4.627 6.461 -7.393 1.00 0.00 C ATOM 0 H THR A 7 1.293 8.545 -5.725 1.00 0.00 H new ATOM 0 HA THR A 7 3.935 9.077 -6.869 1.00 0.00 H new ATOM 0 HB THR A 7 2.884 6.306 -6.162 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.260 6.621 -5.134 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.031 5.500 -7.075 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.066 6.330 -8.318 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.445 7.161 -7.561 1.00 0.00 H new ATOM 112 N THR A 8 2.988 8.678 -9.140 1.00 0.00 N ATOM 113 CA THR A 8 2.385 8.582 -10.463 1.00 0.00 C ATOM 114 C THR A 8 3.081 7.521 -11.308 1.00 0.00 C ATOM 115 O THR A 8 4.286 7.595 -11.548 1.00 0.00 O ATOM 116 CB THR A 8 2.436 9.931 -11.206 1.00 0.00 C ATOM 117 OG1 THR A 8 1.690 10.911 -10.473 1.00 0.00 O ATOM 118 CG2 THR A 8 1.850 9.793 -12.602 1.00 0.00 C ATOM 0 H THR A 8 3.898 9.138 -9.124 1.00 0.00 H new ATOM 0 HA THR A 8 1.343 8.299 -10.315 1.00 0.00 H new ATOM 0 HB THR A 8 3.477 10.244 -11.290 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.724 11.769 -10.945 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.894 10.755 -13.112 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.423 9.057 -13.166 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.812 9.468 -12.530 1.00 0.00 H new ATOM 126 N VAL A 9 2.313 6.533 -11.759 1.00 0.00 N ATOM 127 CA VAL A 9 2.870 5.409 -12.501 1.00 0.00 C ATOM 128 C VAL A 9 2.251 5.305 -13.890 1.00 0.00 C ATOM 129 O VAL A 9 1.075 5.615 -14.081 1.00 0.00 O ATOM 130 CB VAL A 9 2.660 4.078 -11.754 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.366 4.107 -10.407 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.175 3.800 -11.571 1.00 0.00 C ATOM 0 H VAL A 9 1.303 6.489 -11.623 1.00 0.00 H new ATOM 0 HA VAL A 9 3.940 5.595 -12.597 1.00 0.00 H new ATOM 0 HB VAL A 9 3.091 3.275 -12.352 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.207 3.159 -9.893 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.434 4.263 -10.559 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.963 4.920 -9.803 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.044 2.856 -11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.722 4.606 -10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.693 3.738 -12.547 1.00 0.00 H new ATOM 142 N ALA A 10 3.050 4.869 -14.858 1.00 0.00 N ATOM 143 CA ALA A 10 2.570 4.687 -16.222 1.00 0.00 C ATOM 144 C ALA A 10 1.920 3.319 -16.397 1.00 0.00 C ATOM 145 O ALA A 10 2.510 2.410 -16.979 1.00 0.00 O ATOM 146 CB ALA A 10 3.712 4.861 -17.211 1.00 0.00 C ATOM 0 H ALA A 10 4.034 4.635 -14.723 1.00 0.00 H new ATOM 0 HA ALA A 10 1.814 5.447 -16.419 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.339 4.722 -18.226 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.130 5.863 -17.112 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.487 4.123 -17.005 1.00 0.00 H new ATOM 152 N ALA A 11 0.699 3.180 -15.888 1.00 0.00 N ATOM 153 CA ALA A 11 -0.031 1.921 -15.989 1.00 0.00 C ATOM 154 C ALA A 11 -1.533 2.146 -15.853 1.00 0.00 C ATOM 155 O ALA A 11 -1.987 3.091 -15.210 1.00 0.00 O ATOM 156 CB ALA A 11 0.457 0.942 -14.931 1.00 0.00 C ATOM 0 H ALA A 11 0.195 3.922 -15.402 1.00 0.00 H new ATOM 0 HA ALA A 11 0.158 1.497 -16.975 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.096 0.007 -15.018 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.520 0.750 -15.076 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.297 1.367 -13.940 1.00 0.00 H new ATOM 162 N PRO A 12 -2.323 1.257 -16.473 1.00 0.00 N ATOM 163 CA PRO A 12 -3.786 1.324 -16.414 1.00 0.00 C ATOM 164 C PRO A 12 -4.313 1.260 -14.986 1.00 0.00 C ATOM 165 O PRO A 12 -3.720 0.614 -14.122 1.00 0.00 O ATOM 166 CB PRO A 12 -4.245 0.119 -17.243 1.00 0.00 C ATOM 167 CG PRO A 12 -3.094 -0.172 -18.143 1.00 0.00 C ATOM 168 CD PRO A 12 -1.864 0.138 -17.332 1.00 0.00 C ATOM 0 HA PRO A 12 -4.168 2.269 -16.799 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.478 -0.735 -16.607 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.146 0.348 -17.812 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.100 -1.213 -18.465 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.135 0.440 -19.044 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.539 -0.720 -16.743 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.024 0.428 -17.963 1.00 0.00 H new ATOM 176 N VAL A 13 -5.431 1.937 -14.741 1.00 0.00 N ATOM 177 CA VAL A 13 -5.976 2.055 -13.393 1.00 0.00 C ATOM 178 C VAL A 13 -6.285 0.682 -12.804 1.00 0.00 C ATOM 179 O VAL A 13 -6.039 0.432 -11.625 1.00 0.00 O ATOM 180 CB VAL A 13 -7.255 2.913 -13.371 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.907 2.861 -11.998 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.938 4.350 -13.756 1.00 0.00 C ATOM 0 H VAL A 13 -5.977 2.412 -15.459 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.214 2.545 -12.787 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.956 2.507 -14.101 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.809 3.473 -12.000 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.168 1.830 -11.758 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.212 3.243 -11.250 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.853 4.942 -13.735 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.220 4.766 -13.049 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.514 4.373 -14.760 1.00 0.00 H new ATOM 192 N GLY A 14 -6.825 -0.204 -13.634 1.00 0.00 N ATOM 193 CA GLY A 14 -7.188 -1.531 -13.170 1.00 0.00 C ATOM 194 C GLY A 14 -5.984 -2.344 -12.740 1.00 0.00 C ATOM 195 O GLY A 14 -6.015 -3.018 -11.710 1.00 0.00 O ATOM 0 H GLY A 14 -7.018 -0.027 -14.620 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.881 -1.443 -12.333 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.714 -2.059 -13.965 1.00 0.00 H new ATOM 199 N LYS A 15 -4.919 -2.283 -13.532 1.00 0.00 N ATOM 200 CA LYS A 15 -3.695 -3.015 -13.226 1.00 0.00 C ATOM 201 C LYS A 15 -3.010 -2.434 -11.993 1.00 0.00 C ATOM 202 O LYS A 15 -2.476 -3.171 -11.162 1.00 0.00 O ATOM 203 CB LYS A 15 -2.741 -2.991 -14.421 1.00 0.00 C ATOM 204 CG LYS A 15 -3.199 -3.827 -15.608 1.00 0.00 C ATOM 205 CD LYS A 15 -2.172 -3.805 -16.730 1.00 0.00 C ATOM 206 CE LYS A 15 -2.646 -4.610 -17.932 1.00 0.00 C ATOM 207 NZ LYS A 15 -1.653 -4.592 -19.040 1.00 0.00 N ATOM 0 H LYS A 15 -4.878 -1.734 -14.391 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.964 -4.050 -13.015 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.612 -1.959 -14.747 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.763 -3.347 -14.097 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.368 -4.855 -15.288 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.152 -3.447 -15.977 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.982 -2.775 -17.032 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.227 -4.210 -16.368 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.832 -5.640 -17.628 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.594 -4.207 -18.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.014 -5.151 -19.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.494 -3.611 -19.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.756 -5.001 -18.709 1.00 0.00 H new ATOM 221 N VAL A 16 -3.028 -1.111 -11.877 1.00 0.00 N ATOM 222 CA VAL A 16 -2.442 -0.434 -10.726 1.00 0.00 C ATOM 223 C VAL A 16 -3.183 -0.791 -9.443 1.00 0.00 C ATOM 224 O VAL A 16 -2.565 -1.090 -8.420 1.00 0.00 O ATOM 225 CB VAL A 16 -2.451 1.096 -10.905 1.00 0.00 C ATOM 226 CG1 VAL A 16 -2.087 1.786 -9.600 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.491 1.508 -12.011 1.00 0.00 C ATOM 0 H VAL A 16 -3.443 -0.485 -12.567 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.409 -0.775 -10.652 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.457 1.404 -11.189 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.098 2.866 -9.744 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.811 1.515 -8.831 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.091 1.472 -9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.510 2.592 -12.124 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.481 1.187 -11.754 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.793 1.040 -12.948 1.00 0.00 H new ATOM 237 N TRP A 17 -4.509 -0.760 -9.504 1.00 0.00 N ATOM 238 CA TRP A 17 -5.335 -1.086 -8.347 1.00 0.00 C ATOM 239 C TRP A 17 -5.130 -2.537 -7.925 1.00 0.00 C ATOM 240 O TRP A 17 -4.984 -2.833 -6.739 1.00 0.00 O ATOM 241 CB TRP A 17 -6.811 -0.831 -8.654 1.00 0.00 C ATOM 242 CG TRP A 17 -7.717 -1.079 -7.485 1.00 0.00 C ATOM 243 CD1 TRP A 17 -8.008 -0.205 -6.480 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.450 -2.277 -7.203 1.00 0.00 C ATOM 245 NE1 TRP A 17 -8.875 -0.784 -5.588 1.00 0.00 N ATOM 246 CE2 TRP A 17 -9.162 -2.058 -6.010 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.571 -3.516 -7.844 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -9.981 -3.023 -5.445 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.392 -4.484 -7.277 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.078 -4.244 -6.113 1.00 0.00 C ATOM 0 H TRP A 17 -5.035 -0.513 -10.342 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.031 -0.441 -7.523 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.932 0.200 -8.985 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.117 -1.470 -9.483 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.614 0.797 -6.398 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.246 -0.340 -4.748 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.037 -3.716 -8.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.520 -2.838 -4.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.492 -5.444 -7.762 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.709 -5.019 -5.704 1.00 0.00 H new ATOM 261 N ARG A 18 -5.119 -3.438 -8.902 1.00 0.00 N ATOM 262 CA ARG A 18 -4.987 -4.862 -8.627 1.00 0.00 C ATOM 263 C ARG A 18 -3.603 -5.183 -8.069 1.00 0.00 C ATOM 264 O ARG A 18 -3.465 -5.979 -7.142 1.00 0.00 O ATOM 265 CB ARG A 18 -5.313 -5.716 -9.843 1.00 0.00 C ATOM 266 CG ARG A 18 -6.790 -5.798 -10.190 1.00 0.00 C ATOM 267 CD ARG A 18 -7.100 -6.675 -11.350 1.00 0.00 C ATOM 268 NE ARG A 18 -8.518 -6.827 -11.628 1.00 0.00 N ATOM 269 CZ ARG A 18 -9.027 -7.582 -12.622 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.238 -8.224 -13.455 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.340 -7.641 -12.752 1.00 0.00 N ATOM 0 H ARG A 18 -5.200 -3.206 -9.892 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.724 -5.114 -7.865 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.774 -5.318 -10.703 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.939 -6.725 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.336 -6.161 -9.319 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.158 -4.794 -10.401 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.610 -6.271 -12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.670 -7.660 -11.170 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.175 -6.327 -11.029 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.225 -8.155 -13.354 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.639 -8.791 -14.202 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.940 -7.123 -12.110 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.754 -8.204 -13.495 1.00 0.00 H new ATOM 285 N ALA A 19 -2.580 -4.555 -8.643 1.00 0.00 N ATOM 286 CA ALA A 19 -1.206 -4.785 -8.215 1.00 0.00 C ATOM 287 C ALA A 19 -0.961 -4.211 -6.824 1.00 0.00 C ATOM 288 O ALA A 19 -0.199 -4.770 -6.035 1.00 0.00 O ATOM 289 CB ALA A 19 -0.234 -4.182 -9.217 1.00 0.00 C ATOM 0 H ALA A 19 -2.678 -3.884 -9.405 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.041 -5.861 -8.168 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.789 -4.361 -8.885 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.385 -4.643 -10.193 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.408 -3.109 -9.292 1.00 0.00 H new ATOM 295 N TYR A 20 -1.613 -3.091 -6.529 1.00 0.00 N ATOM 296 CA TYR A 20 -1.442 -2.424 -5.244 1.00 0.00 C ATOM 297 C TYR A 20 -1.937 -3.306 -4.102 1.00 0.00 C ATOM 298 O TYR A 20 -1.495 -3.172 -2.960 1.00 0.00 O ATOM 299 CB TYR A 20 -2.180 -1.084 -5.232 1.00 0.00 C ATOM 300 CG TYR A 20 -2.062 -0.328 -3.928 1.00 0.00 C ATOM 301 CD1 TYR A 20 -0.914 0.388 -3.620 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.098 -0.333 -3.006 1.00 0.00 C ATOM 303 CE1 TYR A 20 -0.800 1.079 -2.430 1.00 0.00 C ATOM 304 CE2 TYR A 20 -2.997 0.355 -1.813 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.845 1.060 -1.528 1.00 0.00 C ATOM 306 OH TYR A 20 -1.738 1.748 -0.341 1.00 0.00 O ATOM 0 H TYR A 20 -2.264 -2.627 -7.162 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.377 -2.240 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.793 -0.460 -6.038 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.235 -1.260 -5.444 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.095 0.405 -4.324 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.000 -0.885 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.101 1.631 -2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.814 0.342 -1.107 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.987 2.375 -0.393 1.00 0.00 H new ATOM 316 N THR A 21 -2.856 -4.212 -4.419 1.00 0.00 N ATOM 317 CA THR A 21 -3.489 -5.048 -3.405 1.00 0.00 C ATOM 318 C THR A 21 -3.204 -6.524 -3.654 1.00 0.00 C ATOM 319 O THR A 21 -3.973 -7.394 -3.241 1.00 0.00 O ATOM 320 CB THR A 21 -5.012 -4.829 -3.362 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.575 -5.113 -4.649 1.00 0.00 O ATOM 322 CG2 THR A 21 -5.335 -3.394 -2.977 1.00 0.00 C ATOM 0 H THR A 21 -3.179 -4.386 -5.371 1.00 0.00 H new ATOM 0 HA THR A 21 -3.063 -4.755 -2.445 1.00 0.00 H new ATOM 0 HB THR A 21 -5.438 -5.499 -2.615 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.382 -4.372 -5.261 1.00 0.00 H new ATOM 0 HG21 THR A 21 -6.416 -3.259 -2.952 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.919 -3.179 -1.993 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.901 -2.714 -3.710 1.00 0.00 H new ATOM 330 N THR A 22 -2.093 -6.803 -4.328 1.00 0.00 N ATOM 331 CA THR A 22 -1.589 -8.165 -4.442 1.00 0.00 C ATOM 332 C THR A 22 -0.562 -8.464 -3.355 1.00 0.00 C ATOM 333 O THR A 22 0.432 -7.755 -3.194 1.00 0.00 O ATOM 334 CB THR A 22 -0.951 -8.418 -5.821 1.00 0.00 C ATOM 335 OG1 THR A 22 -1.933 -8.225 -6.846 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.408 -9.837 -5.905 1.00 0.00 C ATOM 0 H THR A 22 -1.525 -6.102 -4.804 1.00 0.00 H new ATOM 0 HA THR A 22 -2.445 -8.829 -4.322 1.00 0.00 H new ATOM 0 HB THR A 22 -0.128 -7.716 -5.959 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.314 -7.325 -6.769 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.039 -9.998 -6.886 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.348 -9.984 -5.133 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.221 -10.547 -5.756 1.00 0.00 H new ATOM 344 N PRO A 23 -0.805 -9.539 -2.590 1.00 0.00 N ATOM 345 CA PRO A 23 0.043 -9.908 -1.453 1.00 0.00 C ATOM 346 C PRO A 23 1.457 -10.282 -1.882 1.00 0.00 C ATOM 347 O PRO A 23 2.432 -9.928 -1.216 1.00 0.00 O ATOM 348 CB PRO A 23 -0.691 -11.093 -0.816 1.00 0.00 C ATOM 349 CG PRO A 23 -1.576 -11.607 -1.899 1.00 0.00 C ATOM 350 CD PRO A 23 -1.987 -10.393 -2.688 1.00 0.00 C ATOM 0 HA PRO A 23 0.183 -9.079 -0.759 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.008 -11.858 -0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.268 -10.781 0.054 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.050 -12.325 -2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -2.445 -12.120 -1.486 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.223 -10.642 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.870 -9.914 -2.266 1.00 0.00 H new ATOM 358 N GLU A 24 1.563 -10.997 -2.997 1.00 0.00 N ATOM 359 CA GLU A 24 2.863 -11.359 -3.551 1.00 0.00 C ATOM 360 C GLU A 24 3.657 -10.114 -3.934 1.00 0.00 C ATOM 361 O GLU A 24 4.881 -10.081 -3.807 1.00 0.00 O ATOM 362 CB GLU A 24 2.694 -12.272 -4.766 1.00 0.00 C ATOM 363 CG GLU A 24 2.206 -13.676 -4.435 1.00 0.00 C ATOM 364 CD GLU A 24 1.966 -14.480 -5.682 1.00 0.00 C ATOM 365 OE1 GLU A 24 2.108 -13.939 -6.752 1.00 0.00 O ATOM 366 OE2 GLU A 24 1.753 -15.664 -5.569 1.00 0.00 O ATOM 0 H GLU A 24 0.766 -11.337 -3.534 1.00 0.00 H new ATOM 0 HA GLU A 24 3.418 -11.898 -2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.990 -11.809 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.649 -12.346 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.943 -14.181 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.285 -13.616 -3.856 1.00 0.00 H new ATOM 373 N ASP A 25 2.952 -9.091 -4.405 1.00 0.00 N ATOM 374 CA ASP A 25 3.586 -7.836 -4.787 1.00 0.00 C ATOM 375 C ASP A 25 3.959 -7.016 -3.556 1.00 0.00 C ATOM 376 O ASP A 25 5.060 -6.471 -3.471 1.00 0.00 O ATOM 377 CB ASP A 25 2.665 -7.026 -5.703 1.00 0.00 C ATOM 378 CG ASP A 25 2.521 -7.591 -7.109 1.00 0.00 C ATOM 379 OD1 ASP A 25 3.293 -8.448 -7.467 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.549 -7.278 -7.756 1.00 0.00 O ATOM 0 H ASP A 25 1.940 -9.107 -4.531 1.00 0.00 H new ATOM 0 HA ASP A 25 4.501 -8.073 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.678 -6.967 -5.245 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.046 -6.007 -5.771 1.00 0.00 H new ATOM 385 N ILE A 26 3.035 -6.934 -2.605 1.00 0.00 N ATOM 386 CA ILE A 26 3.209 -6.071 -1.443 1.00 0.00 C ATOM 387 C ILE A 26 4.413 -6.503 -0.613 1.00 0.00 C ATOM 388 O ILE A 26 5.208 -5.673 -0.174 1.00 0.00 O ATOM 389 CB ILE A 26 1.955 -6.064 -0.550 1.00 0.00 C ATOM 390 CG1 ILE A 26 0.806 -5.332 -1.249 1.00 0.00 C ATOM 391 CG2 ILE A 26 2.263 -5.421 0.793 1.00 0.00 C ATOM 392 CD1 ILE A 26 -0.538 -5.534 -0.588 1.00 0.00 C ATOM 0 H ILE A 26 2.158 -7.455 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 26 3.376 -5.063 -1.822 1.00 0.00 H new ATOM 0 HB ILE A 26 1.648 -7.095 -0.374 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.030 -4.266 -1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.747 -5.672 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.366 -5.424 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.051 -5.983 1.293 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.593 -4.394 0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.301 -4.985 -1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.786 -6.595 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.498 -5.167 0.438 1.00 0.00 H new ATOM 604 N ALA A 40 6.313 -11.477 4.398 1.00 0.00 N ATOM 605 CA ALA A 40 5.291 -12.228 3.680 1.00 0.00 C ATOM 606 C ALA A 40 3.907 -11.639 3.920 1.00 0.00 C ATOM 607 O ALA A 40 3.592 -11.197 5.024 1.00 0.00 O ATOM 608 CB ALA A 40 5.324 -13.692 4.095 1.00 0.00 C ATOM 0 HA ALA A 40 5.506 -12.159 2.614 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.556 -14.242 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.303 -14.113 3.865 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.137 -13.771 5.166 1.00 0.00 H new ATOM 614 N ALA A 41 3.082 -11.634 2.878 1.00 0.00 N ATOM 615 CA ALA A 41 1.752 -11.041 2.958 1.00 0.00 C ATOM 616 C ALA A 41 0.697 -11.978 2.384 1.00 0.00 C ATOM 617 O ALA A 41 0.952 -12.703 1.420 1.00 0.00 O ATOM 618 CB ALA A 41 1.726 -9.705 2.231 1.00 0.00 C ATOM 0 H ALA A 41 3.311 -12.034 1.968 1.00 0.00 H new ATOM 0 HA ALA A 41 1.518 -10.875 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.727 -9.273 2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.446 -9.027 2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.986 -9.856 1.183 1.00 0.00 H new ATOM 624 N THR A 42 -0.491 -11.962 2.980 1.00 0.00 N ATOM 625 CA THR A 42 -1.650 -12.623 2.394 1.00 0.00 C ATOM 626 C THR A 42 -2.878 -11.722 2.436 1.00 0.00 C ATOM 627 O THR A 42 -3.236 -11.192 3.489 1.00 0.00 O ATOM 628 CB THR A 42 -1.970 -13.946 3.115 1.00 0.00 C ATOM 629 OG1 THR A 42 -0.837 -14.821 3.038 1.00 0.00 O ATOM 630 CG2 THR A 42 -3.174 -14.623 2.477 1.00 0.00 C ATOM 0 H THR A 42 -0.676 -11.498 3.869 1.00 0.00 H new ATOM 0 HA THR A 42 -1.397 -12.838 1.356 1.00 0.00 H new ATOM 0 HB THR A 42 -2.199 -13.728 4.158 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.041 -15.662 3.498 1.00 0.00 H new ATOM 0 HG21 THR A 42 -3.386 -15.556 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.040 -13.965 2.545 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.960 -14.834 1.429 1.00 0.00 H new ATOM 638 N VAL A 43 -3.522 -11.551 1.286 1.00 0.00 N ATOM 639 CA VAL A 43 -4.619 -10.600 1.159 1.00 0.00 C ATOM 640 C VAL A 43 -5.837 -11.251 0.511 1.00 0.00 C ATOM 641 O VAL A 43 -5.729 -11.897 -0.532 1.00 0.00 O ATOM 642 CB VAL A 43 -4.207 -9.367 0.333 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.387 -8.422 0.161 1.00 0.00 C ATOM 644 CG2 VAL A 43 -3.042 -8.647 0.996 1.00 0.00 C ATOM 0 H VAL A 43 -3.303 -12.059 0.429 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.875 -10.278 2.168 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.888 -9.704 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.078 -7.557 -0.425 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.195 -8.940 -0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.734 -8.092 1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.764 -7.778 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.336 -8.322 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.191 -9.324 1.070 1.00 0.00 H new ATOM 654 N ASP A 44 -6.997 -11.076 1.135 1.00 0.00 N ATOM 655 CA ASP A 44 -8.268 -11.364 0.481 1.00 0.00 C ATOM 656 C ASP A 44 -8.865 -10.099 -0.126 1.00 0.00 C ATOM 657 O ASP A 44 -9.333 -9.214 0.592 1.00 0.00 O ATOM 658 CB ASP A 44 -9.253 -11.990 1.471 1.00 0.00 C ATOM 659 CG ASP A 44 -10.599 -12.366 0.867 1.00 0.00 C ATOM 660 OD1 ASP A 44 -10.805 -12.092 -0.292 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.345 -13.060 1.515 1.00 0.00 O ATOM 0 H ASP A 44 -7.083 -10.736 2.093 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.080 -12.076 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.799 -12.883 1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.419 -11.291 2.291 1.00 0.00 H new ATOM 666 N LEU A 45 -8.847 -10.019 -1.451 1.00 0.00 N ATOM 667 CA LEU A 45 -9.158 -8.775 -2.147 1.00 0.00 C ATOM 668 C LEU A 45 -10.665 -8.619 -2.333 1.00 0.00 C ATOM 669 O LEU A 45 -11.237 -9.122 -3.301 1.00 0.00 O ATOM 670 CB LEU A 45 -8.444 -8.731 -3.504 1.00 0.00 C ATOM 671 CG LEU A 45 -8.657 -7.446 -4.314 1.00 0.00 C ATOM 672 CD1 LEU A 45 -8.281 -6.232 -3.475 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.827 -7.502 -5.587 1.00 0.00 C ATOM 0 H LEU A 45 -8.620 -10.801 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.803 -7.944 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -7.375 -8.864 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.781 -9.578 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.709 -7.359 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.436 -5.324 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.905 -6.200 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.233 -6.302 -3.183 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.980 -6.588 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.772 -7.597 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.134 -8.361 -6.184 1.00 0.00 H new ATOM 685 N ARG A 46 -11.300 -7.916 -1.401 1.00 0.00 N ATOM 686 CA ARG A 46 -12.732 -7.650 -1.488 1.00 0.00 C ATOM 687 C ARG A 46 -13.163 -6.643 -0.427 1.00 0.00 C ATOM 688 O ARG A 46 -12.491 -6.472 0.590 1.00 0.00 O ATOM 689 CB ARG A 46 -13.558 -8.926 -1.418 1.00 0.00 C ATOM 690 CG ARG A 46 -13.447 -9.690 -0.108 1.00 0.00 C ATOM 691 CD ARG A 46 -14.183 -10.980 -0.087 1.00 0.00 C ATOM 692 NE ARG A 46 -13.900 -11.816 1.069 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.552 -11.741 2.246 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.497 -10.849 2.441 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.200 -12.575 3.209 1.00 0.00 N ATOM 0 H ARG A 46 -10.847 -7.520 -0.577 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.922 -7.210 -2.467 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -14.605 -8.673 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.253 -9.584 -2.232 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.394 -9.883 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.820 -9.060 0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.253 -10.774 -0.118 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.940 -11.538 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.156 -12.508 0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.747 -10.200 1.695 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.980 -10.806 3.338 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.453 -13.251 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.675 -12.542 4.111 1.00 0.00 H new ATOM 709 N GLU A 47 -14.287 -5.977 -0.674 1.00 0.00 N ATOM 710 CA GLU A 47 -14.879 -5.085 0.318 1.00 0.00 C ATOM 711 C GLU A 47 -15.336 -5.865 1.547 1.00 0.00 C ATOM 712 O GLU A 47 -16.175 -6.759 1.452 1.00 0.00 O ATOM 713 CB GLU A 47 -16.054 -4.314 -0.287 1.00 0.00 C ATOM 714 CG GLU A 47 -16.640 -3.245 0.624 1.00 0.00 C ATOM 715 CD GLU A 47 -17.605 -2.364 -0.119 1.00 0.00 C ATOM 716 OE1 GLU A 47 -17.209 -1.768 -1.092 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.766 -2.372 0.217 1.00 0.00 O ATOM 0 H GLU A 47 -14.805 -6.038 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.116 -4.372 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.726 -3.844 -1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -16.841 -5.022 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.149 -3.719 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.836 -2.638 1.040 1.00 0.00 H new ATOM 724 N GLY A 48 -14.777 -5.518 2.703 1.00 0.00 N ATOM 725 CA GLY A 48 -14.991 -6.311 3.899 1.00 0.00 C ATOM 726 C GLY A 48 -13.961 -7.412 4.057 1.00 0.00 C ATOM 727 O GLY A 48 -13.881 -8.052 5.104 1.00 0.00 O ATOM 0 H GLY A 48 -14.180 -4.701 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.960 -5.660 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.987 -6.752 3.865 1.00 0.00 H new ATOM 731 N GLY A 49 -13.170 -7.635 3.011 1.00 0.00 N ATOM 732 CA GLY A 49 -12.186 -8.701 3.039 1.00 0.00 C ATOM 733 C GLY A 49 -11.069 -8.434 4.027 1.00 0.00 C ATOM 734 O GLY A 49 -10.716 -7.283 4.279 1.00 0.00 O ATOM 0 H GLY A 49 -13.194 -7.096 2.145 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.678 -9.639 3.297 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.763 -8.827 2.042 1.00 0.00 H new ATOM 738 N ALA A 50 -10.512 -9.502 4.591 1.00 0.00 N ATOM 739 CA ALA A 50 -9.437 -9.376 5.567 1.00 0.00 C ATOM 740 C ALA A 50 -8.078 -9.625 4.923 1.00 0.00 C ATOM 741 O ALA A 50 -7.976 -10.338 3.924 1.00 0.00 O ATOM 742 CB ALA A 50 -9.658 -10.338 6.724 1.00 0.00 C ATOM 0 H ALA A 50 -10.788 -10.463 4.388 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.447 -8.356 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.847 -10.232 7.445 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.607 -10.111 7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.678 -11.361 6.348 1.00 0.00 H new ATOM 748 N PHE A 51 -7.036 -9.035 5.500 1.00 0.00 N ATOM 749 CA PHE A 51 -5.673 -9.272 5.043 1.00 0.00 C ATOM 750 C PHE A 51 -4.693 -9.243 6.212 1.00 0.00 C ATOM 751 O PHE A 51 -4.997 -8.703 7.276 1.00 0.00 O ATOM 752 CB PHE A 51 -5.272 -8.235 3.991 1.00 0.00 C ATOM 753 CG PHE A 51 -5.316 -6.819 4.490 1.00 0.00 C ATOM 754 CD1 PHE A 51 -6.476 -6.068 4.387 1.00 0.00 C ATOM 755 CD2 PHE A 51 -4.195 -6.237 5.062 1.00 0.00 C ATOM 756 CE1 PHE A 51 -6.517 -4.764 4.844 1.00 0.00 C ATOM 757 CE2 PHE A 51 -4.234 -4.933 5.522 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.394 -4.197 5.413 1.00 0.00 C ATOM 0 H PHE A 51 -7.111 -8.389 6.286 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.637 -10.263 4.590 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.263 -8.456 3.642 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.935 -8.328 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.358 -6.507 3.945 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.282 -6.808 5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.427 -4.189 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.355 -4.491 5.967 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.425 -3.179 5.772 1.00 0.00 H new ATOM 768 N SER A 52 -3.517 -9.827 6.007 1.00 0.00 N ATOM 769 CA SER A 52 -2.527 -9.948 7.070 1.00 0.00 C ATOM 770 C SER A 52 -1.113 -9.928 6.500 1.00 0.00 C ATOM 771 O SER A 52 -0.864 -10.442 5.409 1.00 0.00 O ATOM 772 CB SER A 52 -2.762 -11.219 7.864 1.00 0.00 C ATOM 773 OG SER A 52 -1.804 -11.395 8.872 1.00 0.00 O ATOM 0 H SER A 52 -3.226 -10.224 5.114 1.00 0.00 H new ATOM 0 HA SER A 52 -2.635 -9.093 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.756 -11.189 8.310 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.741 -12.076 7.191 1.00 0.00 H new ATOM 0 HG SER A 52 -1.543 -10.521 9.231 1.00 0.00 H new ATOM 779 N SER A 53 -0.189 -9.331 7.246 1.00 0.00 N ATOM 780 CA SER A 53 1.209 -9.275 6.833 1.00 0.00 C ATOM 781 C SER A 53 2.125 -9.773 7.947 1.00 0.00 C ATOM 782 O SER A 53 2.075 -9.280 9.074 1.00 0.00 O ATOM 783 CB SER A 53 1.582 -7.861 6.431 1.00 0.00 C ATOM 784 OG SER A 53 2.924 -7.761 6.041 1.00 0.00 O ATOM 0 H SER A 53 -0.383 -8.879 8.140 1.00 0.00 H new ATOM 0 HA SER A 53 1.338 -9.929 5.971 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.941 -7.537 5.611 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.396 -7.186 7.267 1.00 0.00 H new ATOM 0 HG SER A 53 3.123 -6.835 5.788 1.00 0.00 H new ATOM 790 N ARG A 54 2.962 -10.754 7.622 1.00 0.00 N ATOM 791 CA ARG A 54 3.909 -11.300 8.586 1.00 0.00 C ATOM 792 C ARG A 54 5.320 -10.786 8.313 1.00 0.00 C ATOM 793 O ARG A 54 5.911 -11.089 7.275 1.00 0.00 O ATOM 794 CB ARG A 54 3.865 -12.820 8.638 1.00 0.00 C ATOM 795 CG ARG A 54 4.814 -13.454 9.642 1.00 0.00 C ATOM 796 CD ARG A 54 4.699 -14.931 9.747 1.00 0.00 C ATOM 797 NE ARG A 54 5.645 -15.546 10.663 1.00 0.00 N ATOM 798 CZ ARG A 54 5.763 -16.873 10.864 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.975 -17.724 10.246 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.678 -17.296 11.718 1.00 0.00 N ATOM 0 H ARG A 54 3.003 -11.186 6.699 1.00 0.00 H new ATOM 0 HA ARG A 54 3.608 -10.948 9.573 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.848 -13.132 8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.095 -13.210 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.838 -13.200 9.366 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.630 -13.017 10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.688 -15.182 10.067 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.837 -15.365 8.757 1.00 0.00 H new ATOM 0 HE ARG A 54 6.263 -14.930 11.191 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.261 -17.383 9.603 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.078 -18.726 10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.271 -16.624 12.204 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.791 -18.295 11.891 1.00 0.00 H new ATOM 964 N PHE A 66 0.868 -8.209 11.414 1.00 0.00 N ATOM 965 CA PHE A 66 -0.036 -7.114 11.080 1.00 0.00 C ATOM 966 C PHE A 66 -1.338 -7.645 10.487 1.00 0.00 C ATOM 967 O PHE A 66 -1.335 -8.599 9.710 1.00 0.00 O ATOM 968 CB PHE A 66 0.634 -6.145 10.105 1.00 0.00 C ATOM 969 CG PHE A 66 1.904 -5.537 10.630 1.00 0.00 C ATOM 970 CD1 PHE A 66 1.865 -4.444 11.482 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.139 -6.057 10.272 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.031 -3.883 11.965 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.307 -5.498 10.755 1.00 0.00 C ATOM 974 CZ PHE A 66 4.254 -4.412 11.600 1.00 0.00 C ATOM 0 HA PHE A 66 -0.272 -6.578 11.999 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.851 -6.672 9.176 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.067 -5.346 9.862 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.912 -4.026 11.771 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.188 -6.908 9.609 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.987 -3.031 12.628 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.262 -5.913 10.469 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.167 -3.975 11.977 1.00 0.00 H new ATOM 984 N ALA A 67 -2.450 -7.020 10.862 1.00 0.00 N ATOM 985 CA ALA A 67 -3.757 -7.420 10.359 1.00 0.00 C ATOM 986 C ALA A 67 -4.597 -6.203 9.986 1.00 0.00 C ATOM 987 O ALA A 67 -4.447 -5.132 10.569 1.00 0.00 O ATOM 988 CB ALA A 67 -4.484 -8.270 11.391 1.00 0.00 C ATOM 0 H ALA A 67 -2.471 -6.235 11.513 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.605 -8.015 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.459 -8.561 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.897 -9.163 11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.617 -7.695 12.307 1.00 0.00 H new ATOM 994 N GLY A 68 -5.483 -6.377 9.008 1.00 0.00 N ATOM 995 CA GLY A 68 -6.398 -5.313 8.638 1.00 0.00 C ATOM 996 C GLY A 68 -7.579 -5.820 7.836 1.00 0.00 C ATOM 997 O GLY A 68 -7.600 -6.973 7.403 1.00 0.00 O ATOM 0 H GLY A 68 -5.583 -7.236 8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.760 -4.819 9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.862 -4.563 8.056 1.00 0.00 H new ATOM 1001 N THR A 69 -8.571 -4.957 7.636 1.00 0.00 N ATOM 1002 CA THR A 69 -9.723 -5.293 6.808 1.00 0.00 C ATOM 1003 C THR A 69 -10.089 -4.139 5.883 1.00 0.00 C ATOM 1004 O THR A 69 -9.843 -2.975 6.198 1.00 0.00 O ATOM 1005 CB THR A 69 -10.947 -5.662 7.664 1.00 0.00 C ATOM 1006 OG1 THR A 69 -11.318 -4.541 8.479 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.635 -6.852 8.559 1.00 0.00 C ATOM 0 H THR A 69 -8.599 -4.019 8.037 1.00 0.00 H new ATOM 0 HA THR A 69 -9.439 -6.159 6.210 1.00 0.00 H new ATOM 0 HB THR A 69 -11.769 -5.927 6.999 1.00 0.00 H new ATOM 0 HG1 THR A 69 -12.099 -4.776 9.023 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.513 -7.098 9.157 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.364 -7.709 7.943 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.805 -6.603 9.220 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.682 -4.469 4.740 1.00 0.00 N ATOM 1016 CA TYR A 70 -11.167 -3.455 3.810 1.00 0.00 C ATOM 1017 C TYR A 70 -12.573 -2.999 4.187 1.00 0.00 C ATOM 1018 O TYR A 70 -13.409 -3.802 4.603 1.00 0.00 O ATOM 1019 CB TYR A 70 -11.160 -4.000 2.381 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.780 -4.347 1.871 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.858 -3.352 1.572 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.398 -5.670 1.689 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.595 -3.664 1.104 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.138 -5.993 1.224 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.241 -4.987 0.933 1.00 0.00 C ATOM 1026 OH TYR A 70 -5.983 -5.302 0.469 1.00 0.00 O ATOM 0 H TYR A 70 -10.838 -5.430 4.436 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.499 -2.595 3.867 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.788 -4.890 2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.608 -3.261 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.133 -2.316 1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.099 -6.460 1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.891 -2.878 0.874 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.857 -7.027 1.089 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.517 -5.850 1.134 1.00 0.00 H new ATOM 1036 N THR A 71 -12.828 -1.702 4.037 1.00 0.00 N ATOM 1037 CA THR A 71 -14.090 -1.117 4.468 1.00 0.00 C ATOM 1038 C THR A 71 -14.966 -0.757 3.274 1.00 0.00 C ATOM 1039 O THR A 71 -16.194 -0.812 3.352 1.00 0.00 O ATOM 1040 CB THR A 71 -13.865 0.141 5.327 1.00 0.00 C ATOM 1041 OG1 THR A 71 -13.219 1.150 4.539 1.00 0.00 O ATOM 1042 CG2 THR A 71 -13.000 -0.183 6.535 1.00 0.00 C ATOM 0 H THR A 71 -12.176 -1.038 3.620 1.00 0.00 H new ATOM 0 HA THR A 71 -14.596 -1.870 5.071 1.00 0.00 H new ATOM 0 HB THR A 71 -14.833 0.503 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.172 1.984 5.051 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.853 0.719 7.129 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.493 -0.942 7.143 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.033 -0.559 6.200 1.00 0.00 H new ATOM 1050 N LYS A 72 -14.329 -0.391 2.168 1.00 0.00 N ATOM 1051 CA LYS A 72 -15.040 0.165 1.023 1.00 0.00 C ATOM 1052 C LYS A 72 -14.186 0.088 -0.238 1.00 0.00 C ATOM 1053 O LYS A 72 -12.981 0.343 -0.201 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.450 1.613 1.297 1.00 0.00 C ATOM 1055 CG LYS A 72 -16.423 2.194 0.280 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.922 3.565 0.712 1.00 0.00 C ATOM 1057 CE LYS A 72 -18.005 4.081 -0.223 1.00 0.00 C ATOM 1058 NZ LYS A 72 -18.527 5.407 0.207 1.00 0.00 N ATOM 0 H LYS A 72 -13.320 -0.469 2.040 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.940 -0.429 0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.902 1.669 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.554 2.233 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.934 2.272 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.270 1.519 0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -17.313 3.508 1.728 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.089 4.268 0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.604 4.159 -1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.824 3.363 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -19.263 5.722 -0.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.933 5.327 1.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.751 6.099 0.218 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.816 -0.263 -1.355 1.00 0.00 N ATOM 1073 CA VAL A 73 -14.151 -0.228 -2.652 1.00 0.00 C ATOM 1074 C VAL A 73 -15.078 0.326 -3.728 1.00 0.00 C ATOM 1075 O VAL A 73 -16.184 -0.173 -3.927 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.664 -1.626 -3.077 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -13.002 -1.566 -4.445 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -12.701 -2.192 -2.044 1.00 0.00 C ATOM 0 H VAL A 73 -15.787 -0.575 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.287 0.428 -2.546 1.00 0.00 H new ATOM 0 HB VAL A 73 -14.528 -2.287 -3.141 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.664 -2.562 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.719 -1.202 -5.181 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -12.148 -0.890 -4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.367 -3.180 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -11.839 -1.531 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.206 -2.271 -1.081 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.615 1.360 -4.424 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.436 2.040 -5.419 1.00 0.00 C ATOM 1090 C VAL A 74 -14.709 2.138 -6.755 1.00 0.00 C ATOM 1091 O VAL A 74 -13.584 2.631 -6.826 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.832 3.455 -4.955 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.650 4.158 -6.028 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -16.610 3.390 -3.650 1.00 0.00 C ATOM 0 H VAL A 74 -13.676 1.745 -4.317 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.340 1.444 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.921 4.029 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.921 5.156 -5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -16.061 4.237 -6.941 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.555 3.585 -6.229 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.881 4.398 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.515 2.799 -3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.993 2.926 -2.881 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.360 1.665 -7.813 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.848 1.841 -9.167 1.00 0.00 C ATOM 1106 C GLU A 75 -13.369 1.472 -9.242 1.00 0.00 C ATOM 1107 O GLU A 75 -12.608 2.066 -10.003 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.056 3.283 -9.637 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.515 3.700 -9.758 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.639 5.124 -10.222 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.630 5.769 -10.376 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.733 5.533 -10.531 1.00 0.00 O ATOM 0 H GLU A 75 -16.243 1.157 -7.759 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.403 1.174 -9.826 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.555 3.955 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.573 3.410 -10.606 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.027 3.041 -10.459 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -17.010 3.585 -8.793 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.972 0.483 -8.446 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.565 0.120 -8.324 1.00 0.00 C ATOM 1121 C ASN A 76 -10.692 1.363 -8.174 1.00 0.00 C ATOM 1122 O ASN A 76 -9.609 1.446 -8.751 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.100 -0.710 -9.506 1.00 0.00 C ATOM 1124 CG ASN A 76 -11.913 -1.955 -9.728 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -11.938 -2.863 -8.888 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.512 -2.041 -10.888 1.00 0.00 N ATOM 0 H ASN A 76 -13.604 -0.080 -7.877 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.463 -0.487 -7.425 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.138 -0.097 -10.406 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.057 -0.990 -9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.029 -2.885 -11.134 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.462 -1.264 -11.547 1.00 0.00 H new ATOM 1133 N LYS A 77 -11.172 2.325 -7.394 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.726 3.707 -7.523 1.00 0.00 C ATOM 1135 C LYS A 77 -10.551 4.352 -6.152 1.00 0.00 C ATOM 1136 O LYS A 77 -9.721 5.245 -5.977 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.717 4.515 -8.363 1.00 0.00 C ATOM 1138 CG LYS A 77 -11.285 5.948 -8.641 1.00 0.00 C ATOM 1139 CD LYS A 77 -12.273 6.658 -9.555 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.895 8.118 -9.753 1.00 0.00 C ATOM 1141 NZ LYS A 77 -10.603 8.263 -10.477 1.00 0.00 N ATOM 0 H LYS A 77 -11.870 2.173 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.760 3.703 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.870 4.004 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.679 4.531 -7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.200 6.493 -7.701 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.296 5.949 -9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.304 6.154 -10.521 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.275 6.594 -9.130 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.683 8.625 -10.311 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -11.825 8.610 -8.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.439 9.266 -10.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.829 7.908 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.637 7.716 -11.361 1.00 0.00 H new ATOM 1155 N ARG A 78 -11.335 3.893 -5.181 1.00 0.00 N ATOM 1156 CA ARG A 78 -11.216 4.375 -3.811 1.00 0.00 C ATOM 1157 C ARG A 78 -11.349 3.224 -2.818 1.00 0.00 C ATOM 1158 O ARG A 78 -12.322 2.472 -2.850 1.00 0.00 O ATOM 1159 CB ARG A 78 -12.198 5.494 -3.506 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.224 5.947 -2.055 1.00 0.00 C ATOM 1161 CD ARG A 78 -13.273 6.951 -1.744 1.00 0.00 C ATOM 1162 NE ARG A 78 -13.034 8.268 -2.311 1.00 0.00 N ATOM 1163 CZ ARG A 78 -13.998 9.169 -2.587 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -15.266 8.887 -2.386 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -13.635 10.336 -3.089 1.00 0.00 N ATOM 0 H ARG A 78 -12.059 3.188 -5.319 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.219 4.802 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.956 6.351 -4.134 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.199 5.166 -3.787 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.372 5.075 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.250 6.366 -1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.231 6.581 -2.108 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.358 7.045 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.069 8.529 -2.514 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -15.533 7.975 -2.016 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.983 9.580 -2.600 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.649 10.534 -3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.341 11.039 -3.308 1.00 0.00 H new ATOM 1179 N ILE A 79 -10.363 3.094 -1.937 1.00 0.00 N ATOM 1180 CA ILE A 79 -10.252 1.917 -1.083 1.00 0.00 C ATOM 1181 C ILE A 79 -9.689 2.282 0.286 1.00 0.00 C ATOM 1182 O ILE A 79 -8.639 2.915 0.387 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.362 0.836 -1.724 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.384 -0.442 -0.882 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.938 1.346 -1.884 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -8.814 -1.651 -1.590 1.00 0.00 C ATOM 0 H ILE A 79 -9.630 3.789 -1.796 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.259 1.519 -0.963 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.757 0.604 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.821 -0.271 0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.412 -0.655 -0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.322 0.570 -2.338 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.938 2.230 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.532 1.605 -0.906 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.864 -2.517 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.391 -1.850 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.775 -1.459 -1.858 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.394 1.875 1.337 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.978 2.184 2.700 1.00 0.00 C ATOM 1200 C GLU A 80 -9.756 0.906 3.504 1.00 0.00 C ATOM 1201 O GLU A 80 -10.551 -0.031 3.433 1.00 0.00 O ATOM 1202 CB GLU A 80 -11.018 3.069 3.391 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.651 3.477 4.812 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.749 4.285 5.448 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.814 3.752 5.647 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.489 5.399 5.838 1.00 0.00 O ATOM 0 H GLU A 80 -11.255 1.331 1.271 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.034 2.727 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.166 3.969 2.794 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.971 2.540 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.458 2.586 5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.729 4.058 4.799 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.670 0.876 4.269 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.299 -0.315 5.023 1.00 0.00 C ATOM 1215 C TYR A 81 -7.559 0.060 6.304 1.00 0.00 C ATOM 1216 O TYR A 81 -7.115 1.196 6.467 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.436 -1.245 4.167 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.151 -0.611 3.678 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -4.998 -0.656 4.445 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -6.099 0.028 2.449 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -3.822 -0.078 4.004 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -4.929 0.609 1.996 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.793 0.553 2.777 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.625 1.128 2.331 1.00 0.00 O ATOM 0 H TYR A 81 -8.031 1.663 4.383 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.214 -0.840 5.296 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.193 -2.135 4.747 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.018 -1.575 3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.018 -1.151 5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.987 0.073 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -2.933 -0.120 4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.904 1.104 1.036 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.639 1.180 1.352 1.00 0.00 H new ATOM 1234 N ALA A 82 -7.430 -0.904 7.209 1.00 0.00 N ATOM 1235 CA ALA A 82 -6.744 -0.677 8.475 1.00 0.00 C ATOM 1236 C ALA A 82 -5.502 -1.554 8.592 1.00 0.00 C ATOM 1237 O ALA A 82 -5.531 -2.737 8.251 1.00 0.00 O ATOM 1238 CB ALA A 82 -7.688 -0.937 9.640 1.00 0.00 C ATOM 0 H ALA A 82 -7.792 -1.850 7.089 1.00 0.00 H new ATOM 0 HA ALA A 82 -6.425 0.365 8.505 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -7.163 -0.764 10.579 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.543 -0.264 9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.035 -1.970 9.603 1.00 0.00 H new ATOM 1244 N PHE A 83 -4.413 -0.967 9.075 1.00 0.00 N ATOM 1245 CA PHE A 83 -3.151 -1.686 9.203 1.00 0.00 C ATOM 1246 C PHE A 83 -2.676 -1.698 10.652 1.00 0.00 C ATOM 1247 O PHE A 83 -2.107 -0.723 11.140 1.00 0.00 O ATOM 1248 CB PHE A 83 -2.083 -1.062 8.302 1.00 0.00 C ATOM 1249 CG PHE A 83 -0.826 -1.878 8.196 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -0.794 -3.034 7.431 1.00 0.00 C ATOM 1251 CD2 PHE A 83 0.327 -1.491 8.863 1.00 0.00 C ATOM 1252 CE1 PHE A 83 0.362 -3.785 7.333 1.00 0.00 C ATOM 1253 CE2 PHE A 83 1.484 -2.239 8.766 1.00 0.00 C ATOM 1254 CZ PHE A 83 1.500 -3.388 8.000 1.00 0.00 C ATOM 0 H PHE A 83 -4.379 0.004 9.384 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.317 -2.716 8.887 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -2.499 -0.922 7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -1.832 -0.073 8.684 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.683 -3.351 6.906 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.320 -0.594 9.465 1.00 0.00 H new ATOM 0 HE1 PHE A 83 0.373 -4.683 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.376 -1.926 9.289 1.00 0.00 H new ATOM 0 HZ PHE A 83 2.404 -3.975 7.924 1.00 0.00 H new ATOM 1264 N GLY A 84 -2.917 -2.812 11.338 1.00 0.00 N ATOM 1265 CA GLY A 84 -2.605 -2.894 12.753 1.00 0.00 C ATOM 1266 C GLY A 84 -3.528 -2.043 13.602 1.00 0.00 C ATOM 1267 O GLY A 84 -4.749 -2.170 13.522 1.00 0.00 O ATOM 0 H GLY A 84 -3.323 -3.659 10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.673 -3.932 13.077 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.574 -2.577 12.913 1.00 0.00 H new ATOM 1271 N ASP A 85 -2.943 -1.172 14.418 1.00 0.00 N ATOM 1272 CA ASP A 85 -3.720 -0.237 15.222 1.00 0.00 C ATOM 1273 C ASP A 85 -3.882 1.097 14.499 1.00 0.00 C ATOM 1274 O ASP A 85 -4.326 2.083 15.087 1.00 0.00 O ATOM 1275 CB ASP A 85 -3.061 -0.024 16.587 1.00 0.00 C ATOM 1276 CG ASP A 85 -1.664 0.578 16.523 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -1.180 0.793 15.438 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -1.159 0.963 17.550 1.00 0.00 O ATOM 0 H ASP A 85 -1.933 -1.095 14.540 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.710 -0.666 15.376 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.697 0.627 17.186 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.008 -0.982 17.105 1.00 0.00 H new ATOM 1283 N ARG A 86 -3.516 1.121 13.223 1.00 0.00 N ATOM 1284 CA ARG A 86 -3.588 2.342 12.429 1.00 0.00 C ATOM 1285 C ARG A 86 -4.477 2.143 11.204 1.00 0.00 C ATOM 1286 O ARG A 86 -4.870 1.022 10.884 1.00 0.00 O ATOM 1287 CB ARG A 86 -2.209 2.859 12.043 1.00 0.00 C ATOM 1288 CG ARG A 86 -1.414 3.473 13.183 1.00 0.00 C ATOM 1289 CD ARG A 86 -0.083 4.002 12.787 1.00 0.00 C ATOM 1290 NE ARG A 86 0.923 2.980 12.546 1.00 0.00 N ATOM 1291 CZ ARG A 86 1.392 2.640 11.329 1.00 0.00 C ATOM 1292 NH1 ARG A 86 0.924 3.208 10.239 1.00 0.00 N ATOM 1293 NH2 ARG A 86 2.319 1.701 11.258 1.00 0.00 N ATOM 0 H ARG A 86 -3.166 0.308 12.716 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.044 3.110 13.054 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.633 2.036 11.620 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.324 3.605 11.256 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.997 4.282 13.622 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.276 2.721 13.960 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.198 4.601 11.884 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.276 4.670 13.570 1.00 0.00 H new ATOM 0 HE ARG A 86 1.300 2.486 13.355 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.195 3.918 10.307 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.290 2.939 9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.660 1.255 12.110 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.694 1.422 10.351 1.00 0.00 H new ATOM 1307 N THR A 87 -4.789 3.241 10.522 1.00 0.00 N ATOM 1308 CA THR A 87 -5.688 3.198 9.376 1.00 0.00 C ATOM 1309 C THR A 87 -5.082 3.912 8.174 1.00 0.00 C ATOM 1310 O THR A 87 -4.196 4.754 8.323 1.00 0.00 O ATOM 1311 CB THR A 87 -7.052 3.834 9.704 1.00 0.00 C ATOM 1312 OG1 THR A 87 -6.871 5.217 10.031 1.00 0.00 O ATOM 1313 CG2 THR A 87 -7.705 3.120 10.878 1.00 0.00 C ATOM 0 H THR A 87 -4.432 4.170 10.744 1.00 0.00 H new ATOM 0 HA THR A 87 -5.837 2.146 9.133 1.00 0.00 H new ATOM 0 HB THR A 87 -7.698 3.742 8.831 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.740 5.621 10.238 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.668 3.583 11.096 1.00 0.00 H new ATOM 0 HG22 THR A 87 -7.856 2.070 10.627 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.060 3.195 11.754 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.565 3.572 6.984 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.129 4.240 5.763 1.00 0.00 C ATOM 1323 C ALA A 88 -6.247 4.271 4.726 1.00 0.00 C ATOM 1324 O ALA A 88 -7.108 3.390 4.698 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.898 3.549 5.195 1.00 0.00 C ATOM 0 H ALA A 88 -6.258 2.838 6.839 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.872 5.269 6.012 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.583 4.058 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.091 3.583 5.927 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.137 2.510 4.967 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.228 5.290 3.873 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.210 5.407 2.802 1.00 0.00 C ATOM 1333 C LYS A 89 -6.538 5.801 1.489 1.00 0.00 C ATOM 1334 O LYS A 89 -5.769 6.761 1.437 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.287 6.428 3.171 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.439 6.514 2.179 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.525 7.459 2.671 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.666 7.563 1.670 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.770 8.426 2.172 1.00 0.00 N ATOM 0 H LYS A 89 -5.544 6.046 3.903 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.682 4.433 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.687 6.177 4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.824 7.411 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -9.066 6.857 1.214 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.862 5.521 2.023 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.910 7.107 3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.099 8.447 2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.289 7.967 0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.053 6.567 1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.527 8.470 1.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.148 8.028 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.407 9.384 2.352 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.834 5.053 0.432 1.00 0.00 N ATOM 1354 CA VAL A 90 -6.136 5.214 -0.839 1.00 0.00 C ATOM 1355 C VAL A 90 -7.103 5.603 -1.952 1.00 0.00 C ATOM 1356 O VAL A 90 -8.205 5.063 -2.046 1.00 0.00 O ATOM 1357 CB VAL A 90 -5.392 3.928 -1.244 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -4.623 4.142 -2.538 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.452 3.484 -0.133 1.00 0.00 C ATOM 0 H VAL A 90 -7.553 4.329 0.430 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.408 6.013 -0.698 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.129 3.141 -1.407 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.103 3.223 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.317 4.414 -3.333 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.896 4.943 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.935 2.574 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.721 4.269 0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.026 3.290 0.773 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.683 6.542 -2.794 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.463 6.922 -3.964 1.00 0.00 C ATOM 1371 C GLU A 91 -6.621 6.826 -5.234 1.00 0.00 C ATOM 1372 O GLU A 91 -5.419 7.088 -5.216 1.00 0.00 O ATOM 1373 CB GLU A 91 -8.018 8.339 -3.803 1.00 0.00 C ATOM 1374 CG GLU A 91 -9.041 8.491 -2.687 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.632 9.873 -2.671 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.891 10.814 -2.514 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.805 9.999 -2.930 1.00 0.00 O ATOM 0 H GLU A 91 -5.807 7.053 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.298 6.227 -4.052 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.189 9.021 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.476 8.646 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -9.835 7.755 -2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -8.568 8.284 -1.727 1.00 0.00 H new ATOM 1384 N PHE A 92 -7.263 6.447 -6.335 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.578 6.334 -7.618 1.00 0.00 C ATOM 1386 C PHE A 92 -7.177 7.297 -8.640 1.00 0.00 C ATOM 1387 O PHE A 92 -8.383 7.289 -8.887 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.651 4.898 -8.139 1.00 0.00 C ATOM 1389 CG PHE A 92 -6.004 3.891 -7.231 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.669 3.418 -6.110 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.729 3.414 -7.496 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -6.075 2.491 -5.274 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -4.133 2.487 -6.663 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.807 2.026 -5.550 1.00 0.00 C ATOM 0 H PHE A 92 -8.255 6.213 -6.364 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.532 6.599 -7.468 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.697 4.626 -8.282 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.173 4.851 -9.117 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.663 3.778 -5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -4.195 3.772 -8.364 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.605 2.131 -4.404 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.140 2.123 -6.882 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.342 1.303 -4.897 1.00 0.00 H new ATOM 1404 N LEU A 93 -6.324 8.127 -9.231 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.778 9.161 -10.153 1.00 0.00 C ATOM 1406 C LEU A 93 -6.205 8.936 -11.549 1.00 0.00 C ATOM 1407 O LEU A 93 -4.994 8.798 -11.719 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.385 10.548 -9.630 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.875 10.875 -8.213 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -6.313 12.216 -7.763 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -8.396 10.893 -8.194 1.00 0.00 C ATOM 0 H LEU A 93 -5.314 8.104 -9.088 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.865 9.106 -10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.298 10.632 -9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.775 11.301 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.525 10.110 -7.520 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.666 12.439 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.224 12.173 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.646 12.998 -8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.745 11.125 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.760 11.651 -8.888 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.775 9.916 -8.493 1.00 0.00 H new ATOM 1423 N GLU A 94 -7.086 8.900 -12.546 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.664 8.730 -13.931 1.00 0.00 C ATOM 1425 C GLU A 94 -6.133 10.040 -14.505 1.00 0.00 C ATOM 1426 O GLU A 94 -6.863 11.025 -14.608 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.823 8.209 -14.785 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.451 7.905 -16.229 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.634 7.388 -17.000 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.687 7.263 -16.422 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.517 7.224 -18.192 1.00 0.00 O ATOM 0 H GLU A 94 -8.094 8.986 -12.419 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.858 7.997 -13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.218 7.303 -14.326 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.625 8.947 -14.777 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.069 8.808 -16.706 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.648 7.168 -16.253 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.857 10.043 -14.875 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.257 11.192 -15.543 1.00 0.00 C ATOM 1440 C ALA A 95 -4.061 10.921 -17.031 1.00 0.00 C ATOM 1441 O ALA A 95 -4.000 9.774 -17.473 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.932 11.551 -14.889 1.00 0.00 C ATOM 0 H ALA A 95 -4.218 9.262 -14.724 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.938 12.037 -15.442 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.496 12.410 -15.398 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.099 11.797 -13.840 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.250 10.703 -14.959 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.958 11.999 -17.821 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.713 11.903 -19.263 1.00 0.00 C ATOM 1450 C PRO A 96 -2.356 11.282 -19.580 1.00 0.00 C ATOM 1451 O PRO A 96 -2.175 10.669 -20.631 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.802 13.352 -19.750 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.510 14.170 -18.538 1.00 0.00 C ATOM 1454 CD PRO A 96 -4.105 13.404 -17.387 1.00 0.00 C ATOM 0 HA PRO A 96 -4.431 11.249 -19.758 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.083 13.549 -20.545 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.790 13.576 -20.152 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -2.437 14.307 -18.406 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.951 15.164 -18.619 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.575 13.597 -16.455 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.149 13.669 -17.221 1.00 0.00 H new ATOM 1462 N GLN A 97 -1.407 11.446 -18.664 1.00 0.00 N ATOM 1463 CA GLN A 97 -0.043 10.983 -18.888 1.00 0.00 C ATOM 1464 C GLN A 97 0.233 9.705 -18.103 1.00 0.00 C ATOM 1465 O GLN A 97 1.262 9.057 -18.293 1.00 0.00 O ATOM 1466 CB GLN A 97 0.963 12.065 -18.488 1.00 0.00 C ATOM 1467 CG GLN A 97 0.870 13.337 -19.314 1.00 0.00 C ATOM 1468 CD GLN A 97 1.884 14.380 -18.887 1.00 0.00 C ATOM 1469 OE1 GLN A 97 2.789 14.099 -18.097 1.00 0.00 O ATOM 1470 NE2 GLN A 97 1.738 15.594 -19.406 1.00 0.00 N ATOM 0 H GLN A 97 -1.558 11.896 -17.761 1.00 0.00 H new ATOM 0 HA GLN A 97 0.068 10.770 -19.951 1.00 0.00 H new ATOM 0 HB2 GLN A 97 0.812 12.315 -17.438 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.971 11.660 -18.578 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.022 13.096 -20.366 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.134 13.752 -19.224 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.975 15.782 -20.056 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.389 16.338 -19.155 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.692 9.348 -17.217 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.486 8.202 -16.350 1.00 0.00 C ATOM 1481 C GLY A 98 -1.595 8.042 -15.327 1.00 0.00 C ATOM 1482 O GLY A 98 -2.655 8.654 -15.450 1.00 0.00 O ATOM 0 H GLY A 98 -1.580 9.832 -17.084 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.422 7.298 -16.956 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.468 8.308 -15.834 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.348 7.215 -14.316 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.268 7.089 -13.191 1.00 0.00 C ATOM 1488 C VAL A 99 -1.596 7.490 -11.884 1.00 0.00 C ATOM 1489 O VAL A 99 -0.492 7.039 -11.575 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.808 5.653 -13.061 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.644 5.511 -11.798 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.630 5.279 -14.286 1.00 0.00 C ATOM 0 H VAL A 99 -0.520 6.623 -14.253 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.102 7.763 -13.389 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.960 4.972 -12.993 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.018 4.490 -11.722 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.029 5.738 -10.927 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.485 6.203 -11.839 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.003 4.261 -14.177 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.471 5.966 -14.383 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.005 5.342 -15.177 1.00 0.00 H new ATOM 1502 N THR A 100 -2.270 8.341 -11.116 1.00 0.00 N ATOM 1503 CA THR A 100 -1.711 8.855 -9.871 1.00 0.00 C ATOM 1504 C THR A 100 -2.306 8.139 -8.664 1.00 0.00 C ATOM 1505 O THR A 100 -3.523 7.978 -8.564 1.00 0.00 O ATOM 1506 CB THR A 100 -1.949 10.370 -9.727 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.280 11.064 -10.788 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.424 10.866 -8.389 1.00 0.00 C ATOM 0 H THR A 100 -3.204 8.689 -11.334 1.00 0.00 H new ATOM 0 HA THR A 100 -0.638 8.668 -9.908 1.00 0.00 H new ATOM 0 HB THR A 100 -3.021 10.562 -9.778 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.310 11.000 -10.661 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.600 11.938 -8.304 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.940 10.348 -7.581 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.354 10.668 -8.322 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.441 7.710 -7.751 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.881 6.994 -6.558 1.00 0.00 C ATOM 1518 C VAL A 101 -1.652 7.826 -5.303 1.00 0.00 C ATOM 1519 O VAL A 101 -0.521 8.204 -4.993 1.00 0.00 O ATOM 1520 CB VAL A 101 -1.155 5.644 -6.409 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.661 4.900 -5.183 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -1.342 4.797 -7.659 1.00 0.00 C ATOM 0 H VAL A 101 -0.432 7.845 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.948 6.809 -6.677 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.090 5.838 -6.280 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.137 3.948 -5.093 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.478 5.500 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.731 4.717 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.822 3.847 -7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.404 4.612 -7.817 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.934 5.325 -8.521 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.730 8.106 -4.579 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.654 8.932 -3.380 1.00 0.00 C ATOM 1534 C ARG A 102 -3.003 8.118 -2.137 1.00 0.00 C ATOM 1535 O ARG A 102 -4.082 7.531 -2.050 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.510 10.184 -3.488 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.562 11.033 -2.228 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.393 12.259 -2.350 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.894 13.233 -3.306 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.592 14.298 -3.748 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.828 14.509 -3.355 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -4.007 15.113 -4.609 1.00 0.00 N ATOM 0 H ARG A 102 -3.668 7.773 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.622 9.270 -3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.131 10.796 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.526 9.891 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.950 10.425 -1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.547 11.322 -1.957 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.404 11.970 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.464 12.733 -1.371 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.949 13.102 -3.668 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.274 13.862 -2.705 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.341 15.320 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -3.054 14.927 -4.920 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.509 15.928 -4.962 1.00 0.00 H new ATOM 1556 N VAL A 103 -2.083 8.088 -1.179 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.290 7.341 0.056 1.00 0.00 C ATOM 1558 C VAL A 103 -2.191 8.253 1.274 1.00 0.00 C ATOM 1559 O VAL A 103 -1.200 8.960 1.454 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.271 6.195 0.200 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.538 5.401 1.470 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.318 5.283 -1.017 1.00 0.00 C ATOM 0 H VAL A 103 -1.187 8.572 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.293 6.918 0.004 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.273 6.629 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.809 4.595 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.455 6.059 2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.542 4.979 1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.591 4.479 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.317 4.858 -1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.079 5.858 -1.912 1.00 0.00 H new ATOM 1572 N SER A 104 -3.226 8.232 2.107 1.00 0.00 N ATOM 1573 CA SER A 104 -3.175 8.888 3.408 1.00 0.00 C ATOM 1574 C SER A 104 -3.268 7.867 4.537 1.00 0.00 C ATOM 1575 O SER A 104 -4.190 7.053 4.578 1.00 0.00 O ATOM 1576 CB SER A 104 -4.288 9.910 3.522 1.00 0.00 C ATOM 1577 OG SER A 104 -4.111 10.984 2.639 1.00 0.00 O ATOM 0 H SER A 104 -4.111 7.767 1.904 1.00 0.00 H new ATOM 0 HA SER A 104 -2.217 9.401 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.244 9.428 3.319 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.331 10.285 4.544 1.00 0.00 H new ATOM 0 HG SER A 104 -4.850 11.619 2.743 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.306 7.916 5.452 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.201 6.913 6.505 1.00 0.00 C ATOM 1585 C PHE A 105 -1.729 7.545 7.813 1.00 0.00 C ATOM 1586 O PHE A 105 -1.153 8.632 7.817 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.247 5.793 6.084 1.00 0.00 C ATOM 1588 CG PHE A 105 0.178 6.239 5.921 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.603 6.833 4.743 1.00 0.00 C ATOM 1590 CD2 PHE A 105 1.096 6.066 6.946 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.914 7.244 4.590 1.00 0.00 C ATOM 1592 CE2 PHE A 105 2.407 6.476 6.796 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.816 7.065 5.619 1.00 0.00 C ATOM 0 H PHE A 105 -1.588 8.640 5.486 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.191 6.487 6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.286 4.997 6.828 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.594 5.367 5.143 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.099 6.977 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.783 5.606 7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.232 7.705 3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.112 6.335 7.602 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.841 7.386 5.502 1.00 0.00 H new ATOM 1603 N VAL A 106 -1.979 6.854 8.921 1.00 0.00 N ATOM 1604 CA VAL A 106 -1.554 7.332 10.231 1.00 0.00 C ATOM 1605 C VAL A 106 -0.074 7.050 10.466 1.00 0.00 C ATOM 1606 O VAL A 106 0.406 5.948 10.203 1.00 0.00 O ATOM 1607 CB VAL A 106 -2.375 6.685 11.362 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -1.869 7.148 12.720 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -3.852 7.016 11.205 1.00 0.00 C ATOM 0 H VAL A 106 -2.473 5.962 8.937 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.722 8.409 10.243 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.255 5.604 11.299 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.461 6.681 13.507 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.823 6.864 12.835 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.960 8.232 12.792 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.417 6.551 12.013 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.989 8.097 11.242 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.210 6.638 10.247 1.00 0.00 H new ATOM 1619 N ALA A 107 0.642 8.053 10.961 1.00 0.00 N ATOM 1620 CA ALA A 107 2.059 7.903 11.267 1.00 0.00 C ATOM 1621 C ALA A 107 2.268 6.954 12.442 1.00 0.00 C ATOM 1622 O ALA A 107 1.559 7.027 13.445 1.00 0.00 O ATOM 1623 CB ALA A 107 2.683 9.258 11.563 1.00 0.00 C ATOM 0 H ALA A 107 0.264 8.979 11.159 1.00 0.00 H new ATOM 0 HA ALA A 107 2.550 7.474 10.394 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.741 9.129 11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 107 2.574 9.906 10.694 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.181 9.711 12.418 1.00 0.00 H new ATOM 1629 N GLU A 108 3.248 6.063 12.311 1.00 0.00 N ATOM 1630 CA GLU A 108 3.562 5.113 13.370 1.00 0.00 C ATOM 1631 C GLU A 108 4.261 5.809 14.535 1.00 0.00 C ATOM 1632 O GLU A 108 5.274 6.486 14.352 1.00 0.00 O ATOM 1633 CB GLU A 108 4.436 3.978 12.831 1.00 0.00 C ATOM 1634 CG GLU A 108 4.901 2.986 13.889 1.00 0.00 C ATOM 1635 CD GLU A 108 3.739 2.414 14.650 1.00 0.00 C ATOM 1636 OE1 GLU A 108 2.937 1.738 14.051 1.00 0.00 O ATOM 1637 OE2 GLU A 108 3.711 2.556 15.850 1.00 0.00 O ATOM 0 H GLU A 108 3.837 5.981 11.482 1.00 0.00 H new ATOM 0 HA GLU A 108 2.625 4.691 13.734 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.879 3.439 12.065 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.311 4.409 12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.459 2.180 13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.583 3.481 14.580 1.00 0.00 H new ATOM 1644 N THR A 109 3.713 5.637 15.735 1.00 0.00 N ATOM 1645 CA THR A 109 4.241 6.306 16.918 1.00 0.00 C ATOM 1646 C THR A 109 5.631 5.788 17.267 1.00 0.00 C ATOM 1647 O THR A 109 6.439 6.502 17.860 1.00 0.00 O ATOM 1648 CB THR A 109 3.314 6.119 18.133 1.00 0.00 C ATOM 1649 OG1 THR A 109 3.188 4.723 18.431 1.00 0.00 O ATOM 1650 CG2 THR A 109 1.937 6.699 17.847 1.00 0.00 C ATOM 0 H THR A 109 2.905 5.041 15.913 1.00 0.00 H new ATOM 0 HA THR A 109 4.301 7.368 16.679 1.00 0.00 H new ATOM 0 HB THR A 109 3.747 6.642 18.986 1.00 0.00 H new ATOM 0 HG1 THR A 109 2.599 4.606 19.206 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.295 6.558 18.717 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.028 7.764 17.632 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.500 6.191 16.987 1.00 0.00 H new ATOM 1658 N GLU A 110 5.904 4.539 16.896 1.00 0.00 N ATOM 1659 CA GLU A 110 7.174 3.905 17.229 1.00 0.00 C ATOM 1660 C GLU A 110 8.306 4.474 16.378 1.00 0.00 C ATOM 1661 O GLU A 110 9.483 4.283 16.685 1.00 0.00 O ATOM 1662 CB GLU A 110 7.082 2.389 17.040 1.00 0.00 C ATOM 1663 CG GLU A 110 6.184 1.683 18.046 1.00 0.00 C ATOM 1664 CD GLU A 110 6.082 0.213 17.750 1.00 0.00 C ATOM 1665 OE1 GLU A 110 6.675 -0.224 16.793 1.00 0.00 O ATOM 1666 OE2 GLU A 110 5.506 -0.493 18.543 1.00 0.00 O ATOM 0 H GLU A 110 5.263 3.948 16.366 1.00 0.00 H new ATOM 0 HA GLU A 110 7.392 4.116 18.276 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.714 2.182 16.035 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.084 1.965 17.106 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.578 1.827 19.052 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.190 2.130 18.026 1.00 0.00 H new ATOM 1673 N TYR A 111 7.941 5.174 15.310 1.00 0.00 N ATOM 1674 CA TYR A 111 8.925 5.733 14.390 1.00 0.00 C ATOM 1675 C TYR A 111 8.641 7.207 14.120 1.00 0.00 C ATOM 1676 O TYR A 111 7.498 7.663 14.162 1.00 0.00 O ATOM 1677 CB TYR A 111 8.939 4.949 13.077 1.00 0.00 C ATOM 1678 CG TYR A 111 9.402 3.516 13.223 1.00 0.00 C ATOM 1679 CD1 TYR A 111 8.497 2.499 13.494 1.00 0.00 C ATOM 1680 CD2 TYR A 111 10.741 3.184 13.088 1.00 0.00 C ATOM 1681 CE1 TYR A 111 8.914 1.189 13.630 1.00 0.00 C ATOM 1682 CE2 TYR A 111 11.170 1.877 13.221 1.00 0.00 C ATOM 1683 CZ TYR A 111 10.253 0.882 13.491 1.00 0.00 C ATOM 1684 OH TYR A 111 10.673 -0.422 13.624 1.00 0.00 O ATOM 0 H TYR A 111 6.971 5.368 15.060 1.00 0.00 H new ATOM 0 HA TYR A 111 9.907 5.652 14.857 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.936 4.955 12.651 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.589 5.460 12.367 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.449 2.736 13.600 1.00 0.00 H new ATOM 0 HD2 TYR A 111 11.461 3.960 12.875 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.197 0.410 13.844 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.217 1.636 13.114 1.00 0.00 H new ATOM 0 HH TYR A 111 11.644 -0.468 13.496 1.00 0.00 H new ATOM 1694 N PRO A 112 9.705 7.971 13.833 1.00 0.00 N ATOM 1695 CA PRO A 112 9.589 9.388 13.472 1.00 0.00 C ATOM 1696 C PRO A 112 8.648 9.611 12.294 1.00 0.00 C ATOM 1697 O PRO A 112 8.604 8.807 11.362 1.00 0.00 O ATOM 1698 CB PRO A 112 11.025 9.802 13.140 1.00 0.00 C ATOM 1699 CG PRO A 112 11.876 8.833 13.888 1.00 0.00 C ATOM 1700 CD PRO A 112 11.127 7.527 13.841 1.00 0.00 C ATOM 0 HA PRO A 112 9.156 9.982 14.277 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.215 9.751 12.068 1.00 0.00 H new ATOM 0 HB3 PRO A 112 11.224 10.828 13.451 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.860 8.739 13.430 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.033 9.159 14.916 1.00 0.00 H new ATOM 0 HD2 PRO A 112 11.376 6.948 12.952 1.00 0.00 H new ATOM 0 HD3 PRO A 112 11.351 6.899 14.703 1.00 0.00 H new ATOM 1708 N VAL A 113 7.897 10.706 12.340 1.00 0.00 N ATOM 1709 CA VAL A 113 6.945 11.026 11.285 1.00 0.00 C ATOM 1710 C VAL A 113 7.634 11.106 9.927 1.00 0.00 C ATOM 1711 O VAL A 113 7.148 10.555 8.941 1.00 0.00 O ATOM 1712 CB VAL A 113 6.221 12.356 11.562 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.387 12.770 10.359 1.00 0.00 C ATOM 1714 CG2 VAL A 113 5.345 12.239 12.800 1.00 0.00 C ATOM 0 H VAL A 113 7.930 11.387 13.098 1.00 0.00 H new ATOM 0 HA VAL A 113 6.211 10.221 11.269 1.00 0.00 H new ATOM 0 HB VAL A 113 6.973 13.125 11.742 1.00 0.00 H new ATOM 0 HG11 VAL A 113 4.882 13.712 10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.036 12.894 9.492 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.644 12.000 10.149 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.841 13.189 12.980 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.601 11.457 12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.964 11.987 13.661 1.00 0.00 H new ATOM 1724 N GLU A 114 8.770 11.796 9.886 1.00 0.00 N ATOM 1725 CA GLU A 114 9.515 11.965 8.644 1.00 0.00 C ATOM 1726 C GLU A 114 10.005 10.619 8.116 1.00 0.00 C ATOM 1727 O GLU A 114 9.924 10.345 6.918 1.00 0.00 O ATOM 1728 CB GLU A 114 10.698 12.913 8.853 1.00 0.00 C ATOM 1729 CG GLU A 114 10.306 14.369 9.069 1.00 0.00 C ATOM 1730 CD GLU A 114 11.506 15.215 9.390 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.578 14.672 9.512 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.374 16.417 9.404 1.00 0.00 O ATOM 0 H GLU A 114 9.194 12.246 10.697 1.00 0.00 H new ATOM 0 HA GLU A 114 8.843 12.400 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.273 12.573 9.714 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.355 12.851 7.986 1.00 0.00 H new ATOM 0 HG2 GLU A 114 9.817 14.753 8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.583 14.437 9.882 1.00 0.00 H new ATOM 1739 N GLN A 115 10.514 9.786 9.017 1.00 0.00 N ATOM 1740 CA GLN A 115 11.051 8.486 8.636 1.00 0.00 C ATOM 1741 C GLN A 115 9.947 7.568 8.124 1.00 0.00 C ATOM 1742 O GLN A 115 10.159 6.781 7.201 1.00 0.00 O ATOM 1743 CB GLN A 115 11.762 7.829 9.823 1.00 0.00 C ATOM 1744 CG GLN A 115 13.033 8.538 10.257 1.00 0.00 C ATOM 1745 CD GLN A 115 14.081 8.570 9.161 1.00 0.00 C ATOM 1746 OE1 GLN A 115 14.336 7.561 8.496 1.00 0.00 O ATOM 1747 NE2 GLN A 115 14.700 9.730 8.968 1.00 0.00 N ATOM 0 H GLN A 115 10.566 9.988 10.015 1.00 0.00 H new ATOM 0 HA GLN A 115 11.771 8.645 7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.074 7.790 10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 115 12.005 6.799 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 115 12.793 9.558 10.556 1.00 0.00 H new ATOM 0 HG3 GLN A 115 13.444 8.037 11.134 1.00 0.00 H new ATOM 0 HE21 GLN A 115 14.458 10.539 9.541 1.00 0.00 H new ATOM 0 HE22 GLN A 115 15.417 9.812 8.247 1.00 0.00 H new ATOM 1756 N GLN A 116 8.768 7.675 8.729 1.00 0.00 N ATOM 1757 CA GLN A 116 7.624 6.868 8.319 1.00 0.00 C ATOM 1758 C GLN A 116 7.117 7.300 6.947 1.00 0.00 C ATOM 1759 O GLN A 116 6.731 6.467 6.128 1.00 0.00 O ATOM 1760 CB GLN A 116 6.495 6.974 9.348 1.00 0.00 C ATOM 1761 CG GLN A 116 5.330 6.032 9.093 1.00 0.00 C ATOM 1762 CD GLN A 116 5.740 4.574 9.153 1.00 0.00 C ATOM 1763 OE1 GLN A 116 6.487 4.161 10.045 1.00 0.00 O ATOM 1764 NE2 GLN A 116 5.258 3.785 8.200 1.00 0.00 N ATOM 0 H GLN A 116 8.580 8.311 9.504 1.00 0.00 H new ATOM 0 HA GLN A 116 7.951 5.830 8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.901 6.771 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 116 6.124 7.999 9.359 1.00 0.00 H new ATOM 0 HG2 GLN A 116 4.549 6.217 9.830 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.901 6.246 8.114 1.00 0.00 H new ATOM 0 HE21 GLN A 116 4.644 4.169 7.482 1.00 0.00 H new ATOM 0 HE22 GLN A 116 5.502 2.795 8.186 1.00 0.00 H new ATOM 1773 N GLN A 117 7.119 8.607 6.705 1.00 0.00 N ATOM 1774 CA GLN A 117 6.748 9.142 5.402 1.00 0.00 C ATOM 1775 C GLN A 117 7.686 8.627 4.314 1.00 0.00 C ATOM 1776 O GLN A 117 7.240 8.183 3.256 1.00 0.00 O ATOM 1777 CB GLN A 117 6.770 10.672 5.424 1.00 0.00 C ATOM 1778 CG GLN A 117 6.411 11.321 4.097 1.00 0.00 C ATOM 1779 CD GLN A 117 6.412 12.836 4.173 1.00 0.00 C ATOM 1780 OE1 GLN A 117 6.760 13.419 5.203 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.017 13.482 3.082 1.00 0.00 N ATOM 0 H GLN A 117 7.374 9.314 7.395 1.00 0.00 H new ATOM 0 HA GLN A 117 5.736 8.804 5.178 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.075 11.023 6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.764 11.005 5.721 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.120 10.998 3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.426 10.977 3.782 1.00 0.00 H new ATOM 0 HE21 GLN A 117 5.738 12.958 2.252 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.993 14.502 3.074 1.00 0.00 H new ATOM 1790 N GLN A 118 8.986 8.690 4.584 1.00 0.00 N ATOM 1791 CA GLN A 118 9.986 8.244 3.622 1.00 0.00 C ATOM 1792 C GLN A 118 9.902 6.736 3.408 1.00 0.00 C ATOM 1793 O GLN A 118 10.068 6.247 2.291 1.00 0.00 O ATOM 1794 CB GLN A 118 11.392 8.624 4.093 1.00 0.00 C ATOM 1795 CG GLN A 118 11.688 10.112 4.031 1.00 0.00 C ATOM 1796 CD GLN A 118 13.054 10.455 4.596 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.760 9.589 5.118 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.432 11.724 4.500 1.00 0.00 N ATOM 0 H GLN A 118 9.371 9.045 5.460 1.00 0.00 H new ATOM 0 HA GLN A 118 9.783 8.742 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.524 8.281 5.119 1.00 0.00 H new ATOM 0 HB3 GLN A 118 12.123 8.094 3.483 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.631 10.448 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.922 10.655 4.585 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.816 12.408 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.338 12.015 4.866 1.00 0.00 H new ATOM 1807 N GLY A 119 9.643 6.003 4.486 1.00 0.00 N ATOM 1808 CA GLY A 119 9.537 4.559 4.394 1.00 0.00 C ATOM 1809 C GLY A 119 8.385 4.116 3.517 1.00 0.00 C ATOM 1810 O GLY A 119 8.551 3.261 2.646 1.00 0.00 O ATOM 0 H GLY A 119 9.505 6.384 5.422 1.00 0.00 H new ATOM 0 HA2 GLY A 119 10.468 4.154 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.409 4.143 5.393 1.00 0.00 H new ATOM 1814 N TRP A 120 7.212 4.697 3.745 1.00 0.00 N ATOM 1815 CA TRP A 120 6.037 4.393 2.935 1.00 0.00 C ATOM 1816 C TRP A 120 6.235 4.857 1.496 1.00 0.00 C ATOM 1817 O TRP A 120 5.807 4.187 0.556 1.00 0.00 O ATOM 1818 CB TRP A 120 4.792 5.048 3.534 1.00 0.00 C ATOM 1819 CG TRP A 120 3.518 4.644 2.854 1.00 0.00 C ATOM 1820 CD1 TRP A 120 2.790 5.391 1.978 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.824 3.398 2.994 1.00 0.00 C ATOM 1822 NE1 TRP A 120 1.684 4.690 1.564 1.00 0.00 N ATOM 1823 CE2 TRP A 120 1.685 3.461 2.173 1.00 0.00 C ATOM 1824 CE3 TRP A 120 3.060 2.233 3.735 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 0.783 2.413 2.071 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 2.156 1.182 3.631 1.00 0.00 C ATOM 1827 CH2 TRP A 120 1.051 1.269 2.823 1.00 0.00 C ATOM 0 H TRP A 120 7.049 5.381 4.484 1.00 0.00 H new ATOM 0 HA TRP A 120 5.898 3.312 2.931 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.728 4.790 4.591 1.00 0.00 H new ATOM 0 HB3 TRP A 120 4.898 6.131 3.476 1.00 0.00 H new ATOM 0 HD1 TRP A 120 3.045 6.390 1.656 1.00 0.00 H new ATOM 0 HE1 TRP A 120 0.977 5.028 0.911 1.00 0.00 H new ATOM 0 HE3 TRP A 120 3.927 2.153 4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -0.089 2.479 1.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 2.327 0.279 4.198 1.00 0.00 H new ATOM 0 HH2 TRP A 120 0.372 0.431 2.768 1.00 0.00 H new ATOM 1838 N GLN A 121 6.884 6.005 1.332 1.00 0.00 N ATOM 1839 CA GLN A 121 7.186 6.527 0.005 1.00 0.00 C ATOM 1840 C GLN A 121 8.084 5.566 -0.767 1.00 0.00 C ATOM 1841 O GLN A 121 7.916 5.377 -1.972 1.00 0.00 O ATOM 1842 CB GLN A 121 7.861 7.898 0.107 1.00 0.00 C ATOM 1843 CG GLN A 121 8.153 8.550 -1.233 1.00 0.00 C ATOM 1844 CD GLN A 121 8.768 9.929 -1.084 1.00 0.00 C ATOM 1845 OE1 GLN A 121 9.037 10.387 0.030 1.00 0.00 O ATOM 1846 NE2 GLN A 121 8.991 10.601 -2.208 1.00 0.00 N ATOM 0 H GLN A 121 7.210 6.591 2.101 1.00 0.00 H new ATOM 0 HA GLN A 121 6.245 6.634 -0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 121 7.223 8.562 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.796 7.790 0.657 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.829 7.914 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.229 8.627 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 121 8.753 10.183 -3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 121 9.400 11.535 -2.171 1.00 0.00 H new ATOM 1855 N ALA A 122 9.036 4.960 -0.066 1.00 0.00 N ATOM 1856 CA ALA A 122 9.911 3.963 -0.669 1.00 0.00 C ATOM 1857 C ALA A 122 9.120 2.744 -1.131 1.00 0.00 C ATOM 1858 O ALA A 122 9.440 2.135 -2.152 1.00 0.00 O ATOM 1859 CB ALA A 122 10.995 3.548 0.315 1.00 0.00 C ATOM 0 H ALA A 122 9.221 5.142 0.920 1.00 0.00 H new ATOM 0 HA ALA A 122 10.381 4.411 -1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.641 2.803 -0.149 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.587 4.420 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 122 10.534 3.124 1.207 1.00 0.00 H new ATOM 1865 N ILE A 123 8.085 2.395 -0.374 1.00 0.00 N ATOM 1866 CA ILE A 123 7.211 1.287 -0.741 1.00 0.00 C ATOM 1867 C ILE A 123 6.454 1.587 -2.029 1.00 0.00 C ATOM 1868 O ILE A 123 6.382 0.749 -2.930 1.00 0.00 O ATOM 1869 CB ILE A 123 6.201 0.970 0.377 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.921 0.399 1.602 1.00 0.00 C ATOM 1871 CG2 ILE A 123 5.142 0.001 -0.123 1.00 0.00 C ATOM 1872 CD1 ILE A 123 6.047 0.295 2.830 1.00 0.00 C ATOM 0 H ILE A 123 7.831 2.863 0.496 1.00 0.00 H new ATOM 0 HA ILE A 123 7.851 0.418 -0.894 1.00 0.00 H new ATOM 0 HB ILE A 123 5.707 1.896 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.306 -0.591 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.781 1.028 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 123 4.436 -0.212 0.680 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.611 0.445 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.619 -0.926 -0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 123 6.627 -0.118 3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 123 5.682 1.286 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 123 5.200 -0.358 2.620 1.00 0.00 H new ATOM 1884 N LEU A 124 5.892 2.788 -2.113 1.00 0.00 N ATOM 1885 CA LEU A 124 5.202 3.228 -3.321 1.00 0.00 C ATOM 1886 C LEU A 124 6.183 3.385 -4.480 1.00 0.00 C ATOM 1887 O LEU A 124 5.839 3.137 -5.635 1.00 0.00 O ATOM 1888 CB LEU A 124 4.463 4.546 -3.061 1.00 0.00 C ATOM 1889 CG LEU A 124 3.243 4.440 -2.139 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.698 5.828 -1.831 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.178 3.578 -2.801 1.00 0.00 C ATOM 0 H LEU A 124 5.901 3.475 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 124 4.472 2.467 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 124 5.165 5.258 -2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 124 4.141 4.958 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 124 3.538 3.973 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.832 5.741 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 124 3.469 6.420 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.403 6.317 -2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.311 3.503 -2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.879 4.031 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.580 2.582 -2.987 1.00 0.00 H new ATOM 1903 N ASN A 125 7.404 3.798 -4.162 1.00 0.00 N ATOM 1904 CA ASN A 125 8.463 3.895 -5.161 1.00 0.00 C ATOM 1905 C ASN A 125 8.817 2.518 -5.714 1.00 0.00 C ATOM 1906 O ASN A 125 9.098 2.369 -6.902 1.00 0.00 O ATOM 1907 CB ASN A 125 9.700 4.571 -4.598 1.00 0.00 C ATOM 1908 CG ASN A 125 9.555 6.058 -4.433 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.697 6.692 -5.059 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.441 6.629 -3.659 1.00 0.00 N ATOM 0 H ASN A 125 7.686 4.071 -3.221 1.00 0.00 H new ATOM 0 HA ASN A 125 8.085 4.511 -5.977 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.936 4.128 -3.630 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.545 4.368 -5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.445 7.643 -3.550 1.00 0.00 H new ATOM 0 HD22 ASN A 125 11.128 6.060 -3.164 1.00 0.00 H new ATOM 1917 N ASN A 126 8.799 1.515 -4.842 1.00 0.00 N ATOM 1918 CA ASN A 126 9.013 0.134 -5.264 1.00 0.00 C ATOM 1919 C ASN A 126 7.869 -0.346 -6.151 1.00 0.00 C ATOM 1920 O ASN A 126 8.080 -1.100 -7.102 1.00 0.00 O ATOM 1921 CB ASN A 126 9.180 -0.791 -4.073 1.00 0.00 C ATOM 1922 CG ASN A 126 10.514 -0.665 -3.391 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.526 -0.332 -4.019 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.538 -1.007 -2.127 1.00 0.00 N ATOM 0 H ASN A 126 8.639 1.631 -3.841 1.00 0.00 H new ATOM 0 HA ASN A 126 9.937 0.109 -5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.391 -0.583 -3.350 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.047 -1.821 -4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.420 -1.006 -1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 126 9.674 -1.274 -1.654 1.00 0.00 H new ATOM 1931 N PHE A 127 6.655 0.095 -5.834 1.00 0.00 N ATOM 1932 CA PHE A 127 5.501 -0.163 -6.687 1.00 0.00 C ATOM 1933 C PHE A 127 5.692 0.464 -8.065 1.00 0.00 C ATOM 1934 O PHE A 127 5.405 -0.157 -9.088 1.00 0.00 O ATOM 1935 CB PHE A 127 4.224 0.370 -6.034 1.00 0.00 C ATOM 1936 CG PHE A 127 2.983 0.129 -6.845 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.000 -0.742 -7.924 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.795 0.775 -6.532 1.00 0.00 C ATOM 1939 CE1 PHE A 127 1.858 -0.964 -8.671 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.654 0.554 -7.276 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.686 -0.317 -8.347 1.00 0.00 C ATOM 0 H PHE A 127 6.446 0.632 -4.993 1.00 0.00 H new ATOM 0 HA PHE A 127 5.406 -1.242 -6.812 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.105 -0.097 -5.056 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.334 1.441 -5.864 1.00 0.00 H new ATOM 0 HD1 PHE A 127 3.916 -1.253 -8.184 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.763 1.459 -5.696 1.00 0.00 H new ATOM 0 HE1 PHE A 127 1.885 -1.645 -9.509 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.264 1.062 -7.021 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.207 -0.491 -8.930 1.00 0.00 H new ATOM 1951 N LYS A 128 6.179 1.700 -8.083 1.00 0.00 N ATOM 1952 CA LYS A 128 6.491 2.382 -9.333 1.00 0.00 C ATOM 1953 C LYS A 128 7.492 1.578 -10.157 1.00 0.00 C ATOM 1954 O LYS A 128 7.328 1.414 -11.365 1.00 0.00 O ATOM 1955 CB LYS A 128 7.036 3.784 -9.059 1.00 0.00 C ATOM 1956 CG LYS A 128 7.377 4.582 -10.311 1.00 0.00 C ATOM 1957 CD LYS A 128 7.899 5.967 -9.959 1.00 0.00 C ATOM 1958 CE LYS A 128 8.293 6.744 -11.206 1.00 0.00 C ATOM 1959 NZ LYS A 128 8.858 8.081 -10.874 1.00 0.00 N ATOM 0 H LYS A 128 6.366 2.250 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 128 5.569 2.472 -9.907 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.300 4.340 -8.478 1.00 0.00 H new ATOM 0 HB3 LYS A 128 7.931 3.699 -8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.126 4.046 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.491 4.674 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.134 6.518 -9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.761 5.876 -9.298 1.00 0.00 H new ATOM 0 HE2 LYS A 128 9.026 6.171 -11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.420 6.868 -11.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.113 8.578 -11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 8.150 8.638 -10.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.706 7.963 -10.284 1.00 0.00 H new ATOM 1973 N ARG A 129 8.530 1.076 -9.493 1.00 0.00 N ATOM 1974 CA ARG A 129 9.534 0.255 -10.155 1.00 0.00 C ATOM 1975 C ARG A 129 8.915 -1.035 -10.690 1.00 0.00 C ATOM 1976 O ARG A 129 9.301 -1.526 -11.751 1.00 0.00 O ATOM 1977 CB ARG A 129 10.728 -0.030 -9.255 1.00 0.00 C ATOM 1978 CG ARG A 129 11.537 1.196 -8.860 1.00 0.00 C ATOM 1979 CD ARG A 129 12.205 1.881 -9.997 1.00 0.00 C ATOM 1980 NE ARG A 129 13.130 2.932 -9.606 1.00 0.00 N ATOM 1981 CZ ARG A 129 13.717 3.791 -10.462 1.00 0.00 C ATOM 1982 NH1 ARG A 129 13.510 3.705 -11.757 1.00 0.00 N ATOM 1983 NH2 ARG A 129 14.528 4.710 -9.966 1.00 0.00 N ATOM 0 H ARG A 129 8.696 1.225 -8.498 1.00 0.00 H new ATOM 0 HA ARG A 129 9.912 0.825 -11.003 1.00 0.00 H new ATOM 0 HB2 ARG A 129 10.373 -0.521 -8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 129 11.387 -0.735 -9.762 1.00 0.00 H new ATOM 0 HG2 ARG A 129 10.878 1.906 -8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 129 12.294 0.899 -8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 129 12.745 1.139 -10.586 1.00 0.00 H new ATOM 0 HD3 ARG A 129 11.441 2.309 -10.647 1.00 0.00 H new ATOM 0 HE ARG A 129 13.350 3.026 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 129 12.897 2.979 -12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 129 13.963 4.364 -12.391 1.00 0.00 H new ATOM 0 HH21 ARG A 129 14.694 4.754 -8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 129 14.987 5.375 -10.589 1.00 0.00 H new ATOM 1997 N HIS A 130 7.952 -1.575 -9.951 1.00 0.00 N ATOM 1998 CA HIS A 130 7.206 -2.743 -10.403 1.00 0.00 C ATOM 1999 C HIS A 130 6.462 -2.445 -11.700 1.00 0.00 C ATOM 2000 O HIS A 130 6.465 -3.252 -12.630 1.00 0.00 O ATOM 2001 CB HIS A 130 6.221 -3.209 -9.327 1.00 0.00 C ATOM 2002 CG HIS A 130 5.422 -4.412 -9.721 1.00 0.00 C ATOM 2003 ND1 HIS A 130 5.961 -5.680 -9.766 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.126 -4.540 -10.090 1.00 0.00 C ATOM 2005 CE1 HIS A 130 5.028 -6.538 -10.146 1.00 0.00 C ATOM 2006 NE2 HIS A 130 3.907 -5.870 -10.349 1.00 0.00 N ATOM 0 H HIS A 130 7.670 -1.222 -9.036 1.00 0.00 H new ATOM 0 HA HIS A 130 7.922 -3.543 -10.590 1.00 0.00 H new ATOM 0 HB2 HIS A 130 6.773 -3.434 -8.415 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.539 -2.392 -9.093 1.00 0.00 H new ATOM 0 HD1 HIS A 130 6.927 -5.919 -9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.400 -3.744 -10.166 1.00 0.00 H new ATOM 0 HE1 HIS A 130 5.161 -7.603 -10.269 1.00 0.00 H new ATOM 2013 N VAL A 131 5.825 -1.281 -11.757 1.00 0.00 N ATOM 2014 CA VAL A 131 5.150 -0.837 -12.971 1.00 0.00 C ATOM 2015 C VAL A 131 6.135 -0.695 -14.127 1.00 0.00 C ATOM 2016 O VAL A 131 5.827 -1.056 -15.262 1.00 0.00 O ATOM 2017 CB VAL A 131 4.428 0.508 -12.756 1.00 0.00 C ATOM 2018 CG1 VAL A 131 3.930 1.062 -14.082 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.272 0.341 -11.782 1.00 0.00 C ATOM 0 H VAL A 131 5.762 -0.627 -10.976 1.00 0.00 H new ATOM 0 HA VAL A 131 4.411 -1.600 -13.218 1.00 0.00 H new ATOM 0 HB VAL A 131 5.138 1.217 -12.331 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.423 2.012 -13.912 1.00 0.00 H new ATOM 0 HG12 VAL A 131 4.776 1.217 -14.752 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.234 0.355 -14.533 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.773 1.300 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.561 -0.383 -12.181 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.652 -0.014 -10.824 1.00 0.00 H new ATOM 2029 N GLU A 132 7.319 -0.170 -13.829 1.00 0.00 N ATOM 2030 CA GLU A 132 8.341 0.034 -14.847 1.00 0.00 C ATOM 2031 C GLU A 132 8.766 -1.295 -15.466 1.00 0.00 C ATOM 2032 O GLU A 132 9.115 -1.359 -16.644 1.00 0.00 O ATOM 2033 CB GLU A 132 9.555 0.751 -14.252 1.00 0.00 C ATOM 2034 CG GLU A 132 9.331 2.228 -13.958 1.00 0.00 C ATOM 2035 CD GLU A 132 10.549 2.853 -13.337 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.503 2.148 -13.107 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.571 4.052 -13.197 1.00 0.00 O ATOM 0 H GLU A 132 7.594 0.122 -12.891 1.00 0.00 H new ATOM 0 HA GLU A 132 7.915 0.658 -15.632 1.00 0.00 H new ATOM 0 HB2 GLU A 132 9.842 0.249 -13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.393 0.653 -14.942 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.082 2.751 -14.881 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.479 2.342 -13.288 1.00 0.00 H new ATOM 2044 N SER A 133 8.732 -2.353 -14.663 1.00 0.00 N ATOM 2045 CA SER A 133 9.120 -3.679 -15.129 1.00 0.00 C ATOM 2046 C SER A 133 8.066 -4.251 -16.073 1.00 0.00 C ATOM 2047 O SER A 133 8.313 -5.230 -16.778 1.00 0.00 O ATOM 2048 CB SER A 133 9.336 -4.607 -13.949 1.00 0.00 C ATOM 2049 OG SER A 133 8.130 -4.950 -13.322 1.00 0.00 O ATOM 0 H SER A 133 8.440 -2.318 -13.686 1.00 0.00 H new ATOM 0 HA SER A 133 10.056 -3.590 -15.680 1.00 0.00 H new ATOM 0 HB2 SER A 133 9.839 -5.513 -14.288 1.00 0.00 H new ATOM 0 HB3 SER A 133 9.996 -4.127 -13.227 1.00 0.00 H new ATOM 0 HG SER A 133 7.519 -4.184 -13.346 1.00 0.00 H new ATOM 2055 N HIS A 134 6.889 -3.634 -16.081 1.00 0.00 N ATOM 2056 CA HIS A 134 5.822 -4.033 -16.992 1.00 0.00 C ATOM 2057 C HIS A 134 5.886 -3.230 -18.288 1.00 0.00 C ATOM 2058 O HIS A 134 4.990 -3.316 -19.128 1.00 0.00 O ATOM 2059 CB HIS A 134 4.450 -3.860 -16.332 1.00 0.00 C ATOM 2060 CG HIS A 134 4.206 -4.803 -15.195 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.060 -6.162 -15.376 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.080 -4.583 -13.865 1.00 0.00 C ATOM 2063 CE1 HIS A 134 3.856 -6.740 -14.204 1.00 0.00 C ATOM 2064 NE2 HIS A 134 3.863 -5.803 -13.272 1.00 0.00 N ATOM 0 H HIS A 134 6.650 -2.856 -15.467 1.00 0.00 H new ATOM 0 HA HIS A 134 5.963 -5.087 -17.230 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.358 -2.836 -15.970 1.00 0.00 H new ATOM 0 HB3 HIS A 134 3.674 -4.003 -17.084 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.139 -3.628 -13.364 1.00 0.00 H new ATOM 0 HE1 HIS A 134 3.709 -7.797 -14.037 1.00 0.00 H new ATOM 0 HE2 HIS A 134 3.729 -5.960 -12.273 1.00 0.00 H new