USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 768 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 40 GLN : amide:sc= -3.8! C(o=-15!,f=-16!) USER MOD Set 1.2: A 50 HIS : no HE2:sc= -11.1! C(o=-15!,f=-18!) USER MOD Set 2.1: A 31 SER OG : rot -60:sc= 0.249 USER MOD Set 2.2: A 41 SER OG : rot -82:sc= 1.25 USER MOD Set 2.3: A 65 ASN : amide:sc= -0.231 X(o=1.3,f=1.1) USER MOD Single : A 1 ILE N :NH3+ 159:sc= -0.575 (180deg=-0.868) USER MOD Single : A 5 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.02) USER MOD Single : A 6 MET CE :methyl -163:sc= 0 (180deg=-0.057) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 11 ASN : amide:sc= -10! C(o=-10!,f=-14!) USER MOD Single : A 12 SER OG : rot 180:sc= -1.22 USER MOD Single : A 13 THR OG1 : rot -112:sc= 0.998 USER MOD Single : A 16 GLN : amide:sc= -0.511 X(o=-0.51,f=-0.044) USER MOD Single : A 19 TYR OH : rot 165:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -6.56! C(o=-6.6!,f=-7.1!) USER MOD Single : A 25 SER OG : rot -21:sc= 0.769 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -86:sc= -0.137 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -65:sc= -0.131 USER MOD Single : A 35 THR OG1 : rot -160:sc= -1.52 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.339 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -135:sc= -2.14 (180deg=-5.62!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 48 HIS : no HE2:sc= -3.59 K(o=-3.6,f=-8.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 150:sc= -2.5 USER MOD Single : A 59 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.09 K(o=-1.1,f=-12!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 82:sc= -3.4! USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -33:sc= 0.351 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 91 ASN : amide:sc= -4.79! C(o=-4.8!,f=-4.2!) USER MOD Single : A 93 THR OG1 : rot -112:sc= -2.85! USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.317 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -2.217 -15.284 9.839 1.00 0.00 N ATOM 2 CA ILE A 1 -2.048 -16.560 10.581 1.00 0.00 C ATOM 3 C ILE A 1 -3.291 -17.441 10.458 1.00 0.00 C ATOM 4 O ILE A 1 -3.476 -18.381 11.233 1.00 0.00 O ATOM 5 CB ILE A 1 -1.755 -16.300 12.073 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.408 -17.607 12.788 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.941 -15.621 12.743 1.00 0.00 C ATOM 8 CD1 ILE A 1 -0.496 -17.421 13.981 1.00 0.00 C ATOM 0 H1 ILE A 1 -1.552 -14.576 10.210 1.00 0.00 H new ATOM 0 H2 ILE A 1 -2.026 -15.442 8.829 1.00 0.00 H new ATOM 0 H3 ILE A 1 -3.191 -14.940 9.958 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.200 -17.079 10.135 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.896 -15.633 12.142 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.330 -18.087 13.117 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.931 -18.284 12.079 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.714 -15.447 13.795 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.140 -14.668 12.252 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.820 -16.261 12.663 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -0.293 -18.389 14.438 1.00 0.00 H new ATOM 0 HD12 ILE A 1 0.441 -16.970 13.656 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -0.979 -16.770 14.710 1.00 0.00 H new ATOM 22 N GLU A 2 -4.142 -17.136 9.480 1.00 0.00 N ATOM 23 CA GLU A 2 -5.364 -17.903 9.261 1.00 0.00 C ATOM 24 C GLU A 2 -6.190 -17.997 10.540 1.00 0.00 C ATOM 25 O GLU A 2 -5.926 -18.836 11.401 1.00 0.00 O ATOM 26 CB GLU A 2 -5.024 -19.307 8.757 1.00 0.00 C ATOM 27 CG GLU A 2 -6.248 -20.165 8.475 1.00 0.00 C ATOM 28 CD GLU A 2 -6.730 -20.914 9.701 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.881 -21.316 10.525 1.00 0.00 O ATOM 30 OE2 GLU A 2 -7.958 -21.098 9.840 1.00 0.00 O ATOM 0 H GLU A 2 -4.007 -16.364 8.828 1.00 0.00 H new ATOM 0 HA GLU A 2 -5.956 -17.384 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -4.431 -19.223 7.846 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.401 -19.809 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.053 -19.532 8.101 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -6.012 -20.880 7.687 1.00 0.00 H new ATOM 37 N GLY A 3 -7.192 -17.133 10.657 1.00 0.00 N ATOM 38 CA GLY A 3 -8.040 -17.135 11.834 1.00 0.00 C ATOM 39 C GLY A 3 -9.400 -17.750 11.567 1.00 0.00 C ATOM 40 O GLY A 3 -9.759 -18.002 10.416 1.00 0.00 O ATOM 0 H GLY A 3 -7.432 -16.431 9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -7.546 -17.687 12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.170 -16.112 12.186 1.00 0.00 H new ATOM 44 N ARG A 4 -10.159 -17.991 12.630 1.00 0.00 N ATOM 45 CA ARG A 4 -11.488 -18.581 12.504 1.00 0.00 C ATOM 46 C ARG A 4 -12.566 -17.591 12.933 1.00 0.00 C ATOM 47 O ARG A 4 -13.336 -17.099 12.108 1.00 0.00 O ATOM 48 CB ARG A 4 -11.585 -19.856 13.344 1.00 0.00 C ATOM 49 CG ARG A 4 -10.539 -20.899 12.990 1.00 0.00 C ATOM 50 CD ARG A 4 -10.235 -21.806 14.171 1.00 0.00 C ATOM 51 NE ARG A 4 -9.450 -22.974 13.777 1.00 0.00 N ATOM 52 CZ ARG A 4 -9.969 -24.055 13.199 1.00 0.00 C ATOM 53 NH1 ARG A 4 -11.271 -24.120 12.945 1.00 0.00 N ATOM 54 NH2 ARG A 4 -9.185 -25.074 12.873 1.00 0.00 N ATOM 0 H ARG A 4 -9.877 -17.787 13.589 1.00 0.00 H new ATOM 0 HA ARG A 4 -11.649 -18.833 11.456 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.484 -19.595 14.398 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.577 -20.290 13.217 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.891 -21.499 12.151 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.624 -20.403 12.666 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -9.691 -21.243 14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.170 -22.134 14.626 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.446 -22.960 13.955 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.879 -23.339 13.193 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.663 -24.951 12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.184 -25.029 13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.583 -25.902 12.430 1.00 0.00 H new ATOM 68 N HIS A 5 -12.618 -17.305 14.232 1.00 0.00 N ATOM 69 CA HIS A 5 -13.605 -16.376 14.769 1.00 0.00 C ATOM 70 C HIS A 5 -13.013 -15.551 15.909 1.00 0.00 C ATOM 71 O HIS A 5 -12.913 -16.023 17.041 1.00 0.00 O ATOM 72 CB HIS A 5 -14.837 -17.135 15.260 1.00 0.00 C ATOM 73 CG HIS A 5 -16.072 -16.292 15.330 1.00 0.00 C ATOM 74 ND1 HIS A 5 -17.228 -16.700 15.961 1.00 0.00 N ATOM 75 CD2 HIS A 5 -16.329 -15.054 14.843 1.00 0.00 C ATOM 76 CE1 HIS A 5 -18.143 -15.751 15.860 1.00 0.00 C ATOM 77 NE2 HIS A 5 -17.621 -14.742 15.185 1.00 0.00 N ATOM 0 H HIS A 5 -11.989 -17.703 14.929 1.00 0.00 H new ATOM 0 HA HIS A 5 -13.901 -15.697 13.969 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -15.021 -17.980 14.596 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -14.631 -17.545 16.249 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -15.644 -14.429 14.289 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -19.145 -15.793 16.260 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -18.101 -13.872 14.955 1.00 0.00 H new ATOM 86 N MET A 6 -12.623 -14.318 15.601 1.00 0.00 N ATOM 87 CA MET A 6 -12.040 -13.428 16.599 1.00 0.00 C ATOM 88 C MET A 6 -12.918 -12.197 16.807 1.00 0.00 C ATOM 89 O MET A 6 -13.555 -12.044 17.848 1.00 0.00 O ATOM 90 CB MET A 6 -10.634 -13.002 16.175 1.00 0.00 C ATOM 91 CG MET A 6 -9.562 -14.028 16.504 1.00 0.00 C ATOM 92 SD MET A 6 -9.384 -14.301 18.278 1.00 0.00 S ATOM 93 CE MET A 6 -9.637 -16.071 18.376 1.00 0.00 C ATOM 0 H MET A 6 -12.700 -13.912 14.668 1.00 0.00 H new ATOM 0 HA MET A 6 -11.977 -13.971 17.542 1.00 0.00 H new ATOM 0 HB2 MET A 6 -10.629 -12.815 15.101 1.00 0.00 H new ATOM 0 HB3 MET A 6 -10.386 -12.060 16.664 1.00 0.00 H new ATOM 0 HG2 MET A 6 -9.807 -14.972 16.018 1.00 0.00 H new ATOM 0 HG3 MET A 6 -8.608 -13.696 16.094 1.00 0.00 H new ATOM 0 HE1 MET A 6 -9.858 -16.350 19.406 1.00 0.00 H new ATOM 0 HE2 MET A 6 -10.472 -16.355 17.736 1.00 0.00 H new ATOM 0 HE3 MET A 6 -8.735 -16.586 18.046 1.00 0.00 H new ATOM 103 N ALA A 7 -12.944 -11.321 15.807 1.00 0.00 N ATOM 104 CA ALA A 7 -13.742 -10.103 15.878 1.00 0.00 C ATOM 105 C ALA A 7 -14.666 -9.980 14.670 1.00 0.00 C ATOM 106 O ALA A 7 -14.435 -10.603 13.635 1.00 0.00 O ATOM 107 CB ALA A 7 -12.835 -8.885 15.977 1.00 0.00 C ATOM 0 H ALA A 7 -12.421 -11.433 14.938 1.00 0.00 H new ATOM 0 HA ALA A 7 -14.363 -10.155 16.773 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -13.443 -7.982 16.029 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -12.220 -8.961 16.874 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -12.191 -8.838 15.099 1.00 0.00 H new ATOM 113 N PRO A 8 -15.733 -9.169 14.788 1.00 0.00 N ATOM 114 CA PRO A 8 -16.694 -8.966 13.700 1.00 0.00 C ATOM 115 C PRO A 8 -16.112 -8.146 12.554 1.00 0.00 C ATOM 116 O PRO A 8 -15.638 -7.027 12.756 1.00 0.00 O ATOM 117 CB PRO A 8 -17.837 -8.205 14.374 1.00 0.00 C ATOM 118 CG PRO A 8 -17.195 -7.492 15.513 1.00 0.00 C ATOM 119 CD PRO A 8 -16.083 -8.386 15.990 1.00 0.00 C ATOM 0 HA PRO A 8 -16.999 -9.909 13.247 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.308 -7.505 13.684 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -18.616 -8.885 14.720 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.808 -6.523 15.198 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -17.914 -7.304 16.311 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.233 -7.810 16.356 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.408 -9.029 16.808 1.00 0.00 H new ATOM 127 N THR A 9 -16.148 -8.709 11.350 1.00 0.00 N ATOM 128 CA THR A 9 -15.624 -8.031 10.169 1.00 0.00 C ATOM 129 C THR A 9 -14.122 -7.797 10.296 1.00 0.00 C ATOM 130 O THR A 9 -13.630 -7.414 11.357 1.00 0.00 O ATOM 131 CB THR A 9 -16.343 -6.698 9.957 1.00 0.00 C ATOM 132 OG1 THR A 9 -17.648 -6.738 10.505 1.00 0.00 O ATOM 133 CG2 THR A 9 -16.469 -6.311 8.499 1.00 0.00 C ATOM 0 H THR A 9 -16.535 -9.635 11.166 1.00 0.00 H new ATOM 0 HA THR A 9 -15.802 -8.672 9.306 1.00 0.00 H new ATOM 0 HB THR A 9 -15.726 -5.955 10.462 1.00 0.00 H new ATOM 0 HG1 THR A 9 -18.090 -5.875 10.360 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.988 -5.356 8.420 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.476 -6.221 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.034 -7.076 7.967 1.00 0.00 H new ATOM 141 N GLU A 10 -13.398 -8.033 9.206 1.00 0.00 N ATOM 142 CA GLU A 10 -11.951 -7.850 9.196 1.00 0.00 C ATOM 143 C GLU A 10 -11.285 -8.723 10.255 1.00 0.00 C ATOM 144 O GLU A 10 -11.961 -9.437 10.994 1.00 0.00 O ATOM 145 CB GLU A 10 -11.599 -6.381 9.436 1.00 0.00 C ATOM 146 CG GLU A 10 -12.421 -5.414 8.599 1.00 0.00 C ATOM 147 CD GLU A 10 -13.419 -4.627 9.425 1.00 0.00 C ATOM 148 OE1 GLU A 10 -13.720 -5.053 10.559 1.00 0.00 O ATOM 149 OE2 GLU A 10 -13.900 -3.581 8.938 1.00 0.00 O ATOM 0 H GLU A 10 -13.789 -8.351 8.319 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.579 -8.150 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.744 -6.149 10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.542 -6.229 9.218 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.751 -4.721 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.953 -5.970 7.827 1.00 0.00 H new ATOM 156 N ASN A 11 -9.956 -8.656 10.319 1.00 0.00 N ATOM 157 CA ASN A 11 -9.182 -9.435 11.287 1.00 0.00 C ATOM 158 C ASN A 11 -9.670 -10.880 11.369 1.00 0.00 C ATOM 159 O ASN A 11 -10.646 -11.178 12.060 1.00 0.00 O ATOM 160 CB ASN A 11 -9.240 -8.780 12.670 1.00 0.00 C ATOM 161 CG ASN A 11 -10.650 -8.702 13.220 1.00 0.00 C ATOM 162 OD1 ASN A 11 -11.102 -9.598 13.933 1.00 0.00 O ATOM 163 ND2 ASN A 11 -11.357 -7.627 12.891 1.00 0.00 N ATOM 0 H ASN A 11 -9.389 -8.067 9.709 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.148 -9.451 10.942 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.615 -9.345 13.362 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.821 -7.775 12.610 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -12.312 -7.521 13.232 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.944 -6.907 12.297 1.00 0.00 H new ATOM 170 N SER A 12 -8.981 -11.771 10.663 1.00 0.00 N ATOM 171 CA SER A 12 -9.334 -13.188 10.653 1.00 0.00 C ATOM 172 C SER A 12 -10.704 -13.409 10.016 1.00 0.00 C ATOM 173 O SER A 12 -10.803 -13.855 8.872 1.00 0.00 O ATOM 174 CB SER A 12 -9.316 -13.755 12.076 1.00 0.00 C ATOM 175 OG SER A 12 -10.078 -14.949 12.161 1.00 0.00 O ATOM 0 H SER A 12 -8.172 -11.536 10.088 1.00 0.00 H new ATOM 0 HA SER A 12 -8.591 -13.714 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.288 -13.954 12.378 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.715 -13.015 12.770 1.00 0.00 H new ATOM 0 HG SER A 12 -10.049 -15.291 13.079 1.00 0.00 H new ATOM 181 N THR A 13 -11.759 -13.102 10.766 1.00 0.00 N ATOM 182 CA THR A 13 -13.126 -13.272 10.278 1.00 0.00 C ATOM 183 C THR A 13 -13.302 -12.650 8.895 1.00 0.00 C ATOM 184 O THR A 13 -13.897 -13.257 8.003 1.00 0.00 O ATOM 185 CB THR A 13 -14.118 -12.645 11.258 1.00 0.00 C ATOM 186 OG1 THR A 13 -13.991 -11.233 11.267 1.00 0.00 O ATOM 187 CG2 THR A 13 -13.944 -13.131 12.681 1.00 0.00 C ATOM 0 H THR A 13 -11.694 -12.734 11.715 1.00 0.00 H new ATOM 0 HA THR A 13 -13.322 -14.341 10.199 1.00 0.00 H new ATOM 0 HB THR A 13 -15.103 -12.951 10.905 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.632 -10.942 12.131 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.679 -12.646 13.323 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.087 -14.211 12.717 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.941 -12.886 13.029 1.00 0.00 H new ATOM 195 N GLY A 14 -12.783 -11.440 8.724 1.00 0.00 N ATOM 196 CA GLY A 14 -12.895 -10.759 7.447 1.00 0.00 C ATOM 197 C GLY A 14 -12.034 -11.393 6.372 1.00 0.00 C ATOM 198 O GLY A 14 -12.533 -11.780 5.315 1.00 0.00 O ATOM 0 H GLY A 14 -12.287 -10.918 9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.936 -10.767 7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.607 -9.715 7.569 1.00 0.00 H new ATOM 202 N VAL A 15 -10.737 -11.498 6.640 1.00 0.00 N ATOM 203 CA VAL A 15 -9.803 -12.087 5.689 1.00 0.00 C ATOM 204 C VAL A 15 -10.195 -13.523 5.347 1.00 0.00 C ATOM 205 O VAL A 15 -10.683 -14.263 6.202 1.00 0.00 O ATOM 206 CB VAL A 15 -8.363 -12.068 6.233 1.00 0.00 C ATOM 207 CG1 VAL A 15 -8.257 -12.881 7.515 1.00 0.00 C ATOM 208 CG2 VAL A 15 -7.388 -12.580 5.184 1.00 0.00 C ATOM 0 H VAL A 15 -10.308 -11.182 7.510 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.847 -11.481 4.784 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.101 -11.036 6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.230 -12.853 7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.922 -12.460 8.269 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.543 -13.914 7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.376 -12.559 5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.649 -13.603 4.913 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.439 -11.946 4.299 1.00 0.00 H new ATOM 218 N GLN A 16 -9.981 -13.908 4.093 1.00 0.00 N ATOM 219 CA GLN A 16 -10.315 -15.255 3.641 1.00 0.00 C ATOM 220 C GLN A 16 -9.163 -15.869 2.849 1.00 0.00 C ATOM 221 O GLN A 16 -8.713 -16.976 3.147 1.00 0.00 O ATOM 222 CB GLN A 16 -11.580 -15.239 2.775 1.00 0.00 C ATOM 223 CG GLN A 16 -12.616 -14.212 3.211 1.00 0.00 C ATOM 224 CD GLN A 16 -12.769 -13.078 2.214 1.00 0.00 C ATOM 225 OE1 GLN A 16 -13.877 -12.610 1.955 1.00 0.00 O ATOM 226 NE2 GLN A 16 -11.653 -12.631 1.647 1.00 0.00 N ATOM 0 H GLN A 16 -9.579 -13.308 3.373 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.496 -15.863 4.527 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.298 -15.039 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.034 -16.230 2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.578 -14.706 3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.331 -13.803 4.180 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.755 -13.048 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -11.695 -11.871 0.968 1.00 0.00 H new ATOM 235 N ASP A 17 -8.698 -15.149 1.834 1.00 0.00 N ATOM 236 CA ASP A 17 -7.605 -15.627 0.992 1.00 0.00 C ATOM 237 C ASP A 17 -6.366 -15.950 1.818 1.00 0.00 C ATOM 238 O ASP A 17 -6.198 -15.441 2.925 1.00 0.00 O ATOM 239 CB ASP A 17 -7.265 -14.591 -0.080 1.00 0.00 C ATOM 240 CG ASP A 17 -7.164 -15.202 -1.464 1.00 0.00 C ATOM 241 OD1 ASP A 17 -6.598 -16.308 -1.585 1.00 0.00 O ATOM 242 OD2 ASP A 17 -7.651 -14.574 -2.428 1.00 0.00 O ATOM 0 H ASP A 17 -9.060 -14.232 1.573 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.937 -16.545 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.028 -13.813 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.320 -14.109 0.171 1.00 0.00 H new ATOM 247 N CYS A 18 -5.499 -16.796 1.268 1.00 0.00 N ATOM 248 CA CYS A 18 -4.275 -17.190 1.951 1.00 0.00 C ATOM 249 C CYS A 18 -3.068 -16.463 1.363 1.00 0.00 C ATOM 250 O CYS A 18 -3.078 -16.061 0.200 1.00 0.00 O ATOM 251 CB CYS A 18 -4.080 -18.710 1.869 1.00 0.00 C ATOM 252 SG CYS A 18 -3.463 -19.320 0.266 1.00 0.00 S ATOM 0 H CYS A 18 -5.624 -17.221 0.349 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.364 -16.908 3.000 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.383 -19.015 2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -5.032 -19.196 2.084 1.00 0.00 H new ATOM 257 N TYR A 19 -2.035 -16.287 2.180 1.00 0.00 N ATOM 258 CA TYR A 19 -0.830 -15.599 1.749 1.00 0.00 C ATOM 259 C TYR A 19 0.306 -16.593 1.521 1.00 0.00 C ATOM 260 O TYR A 19 0.118 -17.802 1.649 1.00 0.00 O ATOM 261 CB TYR A 19 -0.411 -14.553 2.783 1.00 0.00 C ATOM 262 CG TYR A 19 0.133 -15.124 4.074 1.00 0.00 C ATOM 263 CD1 TYR A 19 1.434 -15.602 4.157 1.00 0.00 C ATOM 264 CD2 TYR A 19 -0.656 -15.175 5.214 1.00 0.00 C ATOM 265 CE1 TYR A 19 1.931 -16.116 5.339 1.00 0.00 C ATOM 266 CE2 TYR A 19 -0.169 -15.687 6.399 1.00 0.00 C ATOM 267 CZ TYR A 19 1.126 -16.157 6.457 1.00 0.00 C ATOM 268 OH TYR A 19 1.616 -16.668 7.637 1.00 0.00 O ATOM 0 H TYR A 19 -2.011 -16.613 3.146 1.00 0.00 H new ATOM 0 HA TYR A 19 -1.046 -15.095 0.807 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.346 -13.907 2.340 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.271 -13.925 3.013 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.068 -15.571 3.283 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.671 -14.807 5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.945 -16.484 5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.798 -15.719 7.276 1.00 0.00 H new ATOM 0 HH TYR A 19 1.025 -16.411 8.375 1.00 0.00 H new ATOM 278 N ARG A 20 1.484 -16.077 1.187 1.00 0.00 N ATOM 279 CA ARG A 20 2.646 -16.926 0.950 1.00 0.00 C ATOM 280 C ARG A 20 3.916 -16.275 1.491 1.00 0.00 C ATOM 281 O ARG A 20 4.202 -15.114 1.200 1.00 0.00 O ATOM 282 CB ARG A 20 2.795 -17.208 -0.542 1.00 0.00 C ATOM 283 CG ARG A 20 1.686 -18.084 -1.103 1.00 0.00 C ATOM 284 CD ARG A 20 1.316 -17.676 -2.520 1.00 0.00 C ATOM 285 NE ARG A 20 2.373 -17.999 -3.476 1.00 0.00 N ATOM 286 CZ ARG A 20 2.354 -17.627 -4.755 1.00 0.00 C ATOM 287 NH1 ARG A 20 1.338 -16.921 -5.233 1.00 0.00 N ATOM 288 NH2 ARG A 20 3.355 -17.962 -5.557 1.00 0.00 N ATOM 0 H ARG A 20 1.659 -15.078 1.075 1.00 0.00 H new ATOM 0 HA ARG A 20 2.494 -17.868 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.810 -16.262 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.755 -17.692 -0.719 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.005 -19.126 -1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.807 -18.015 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.395 -18.180 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.116 -16.605 -2.548 1.00 0.00 H new ATOM 0 HE ARG A 20 3.171 -18.541 -3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.565 -16.660 -4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.329 -16.639 -6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.139 -18.504 -5.195 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.341 -17.677 -6.536 1.00 0.00 H new ATOM 302 N GLY A 21 4.671 -17.030 2.285 1.00 0.00 N ATOM 303 CA GLY A 21 5.899 -16.507 2.859 1.00 0.00 C ATOM 304 C GLY A 21 5.671 -15.211 3.613 1.00 0.00 C ATOM 305 O GLY A 21 4.857 -15.160 4.535 1.00 0.00 O ATOM 0 H GLY A 21 4.455 -17.993 2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.327 -17.248 3.534 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.627 -16.341 2.065 1.00 0.00 H new ATOM 309 N ASP A 22 6.378 -14.161 3.215 1.00 0.00 N ATOM 310 CA ASP A 22 6.230 -12.861 3.857 1.00 0.00 C ATOM 311 C ASP A 22 5.144 -12.052 3.162 1.00 0.00 C ATOM 312 O ASP A 22 5.419 -11.313 2.215 1.00 0.00 O ATOM 313 CB ASP A 22 7.549 -12.088 3.836 1.00 0.00 C ATOM 314 CG ASP A 22 8.189 -12.071 2.460 1.00 0.00 C ATOM 315 OD1 ASP A 22 8.483 -13.162 1.929 1.00 0.00 O ATOM 316 OD2 ASP A 22 8.395 -10.966 1.916 1.00 0.00 O ATOM 0 H ASP A 22 7.057 -14.183 2.454 1.00 0.00 H new ATOM 0 HA ASP A 22 5.944 -13.026 4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.372 -11.064 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.241 -12.536 4.550 1.00 0.00 H new ATOM 321 N GLY A 23 3.908 -12.205 3.635 1.00 0.00 N ATOM 322 CA GLY A 23 2.779 -11.494 3.055 1.00 0.00 C ATOM 323 C GLY A 23 3.126 -10.091 2.592 1.00 0.00 C ATOM 324 O GLY A 23 2.598 -9.611 1.589 1.00 0.00 O ATOM 0 H GLY A 23 3.667 -12.814 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.396 -12.064 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.977 -11.438 3.791 1.00 0.00 H new ATOM 328 N GLN A 24 4.019 -9.435 3.324 1.00 0.00 N ATOM 329 CA GLN A 24 4.438 -8.079 2.979 1.00 0.00 C ATOM 330 C GLN A 24 5.143 -8.057 1.625 1.00 0.00 C ATOM 331 O GLN A 24 4.543 -7.705 0.610 1.00 0.00 O ATOM 332 CB GLN A 24 5.356 -7.490 4.061 1.00 0.00 C ATOM 333 CG GLN A 24 6.223 -8.516 4.778 1.00 0.00 C ATOM 334 CD GLN A 24 5.697 -8.872 6.159 1.00 0.00 C ATOM 335 OE1 GLN A 24 6.472 -9.129 7.081 1.00 0.00 O ATOM 336 NE2 GLN A 24 4.376 -8.892 6.310 1.00 0.00 N ATOM 0 H GLN A 24 4.466 -9.817 4.157 1.00 0.00 H new ATOM 0 HA GLN A 24 3.541 -7.463 2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.003 -6.742 3.603 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.742 -6.972 4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.282 -9.421 4.173 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.237 -8.127 4.870 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.769 -8.673 5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 24 3.970 -9.127 7.216 1.00 0.00 H new ATOM 345 N SER A 25 6.418 -8.437 1.613 1.00 0.00 N ATOM 346 CA SER A 25 7.201 -8.461 0.382 1.00 0.00 C ATOM 347 C SER A 25 7.153 -7.110 -0.329 1.00 0.00 C ATOM 348 O SER A 25 7.354 -7.033 -1.541 1.00 0.00 O ATOM 349 CB SER A 25 6.687 -9.559 -0.550 1.00 0.00 C ATOM 350 OG SER A 25 5.493 -9.157 -1.202 1.00 0.00 O ATOM 0 H SER A 25 6.931 -8.733 2.443 1.00 0.00 H new ATOM 0 HA SER A 25 8.237 -8.671 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.449 -9.796 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 25 6.505 -10.469 0.021 1.00 0.00 H new ATOM 0 HG SER A 25 5.070 -8.434 -0.693 1.00 0.00 H new ATOM 356 N TYR A 26 6.887 -6.050 0.430 1.00 0.00 N ATOM 357 CA TYR A 26 6.814 -4.703 -0.131 1.00 0.00 C ATOM 358 C TYR A 26 5.655 -4.580 -1.117 1.00 0.00 C ATOM 359 O TYR A 26 4.627 -3.981 -0.807 1.00 0.00 O ATOM 360 CB TYR A 26 8.132 -4.344 -0.825 1.00 0.00 C ATOM 361 CG TYR A 26 9.086 -3.566 0.053 1.00 0.00 C ATOM 362 CD1 TYR A 26 9.291 -3.927 1.380 1.00 0.00 C ATOM 363 CD2 TYR A 26 9.782 -2.471 -0.444 1.00 0.00 C ATOM 364 CE1 TYR A 26 10.161 -3.219 2.185 1.00 0.00 C ATOM 365 CE2 TYR A 26 10.655 -1.759 0.356 1.00 0.00 C ATOM 366 CZ TYR A 26 10.841 -2.135 1.668 1.00 0.00 C ATOM 367 OH TYR A 26 11.711 -1.429 2.468 1.00 0.00 O ATOM 0 H TYR A 26 6.718 -6.097 1.435 1.00 0.00 H new ATOM 0 HA TYR A 26 6.641 -4.006 0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.621 -5.261 -1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 26 7.915 -3.759 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.761 -4.775 1.788 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.638 -2.172 -1.472 1.00 0.00 H new ATOM 0 HE1 TYR A 26 10.309 -3.512 3.214 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.189 -0.911 -0.046 1.00 0.00 H new ATOM 0 HH TYR A 26 12.109 -0.697 1.952 1.00 0.00 H new ATOM 377 N ARG A 27 5.830 -5.148 -2.308 1.00 0.00 N ATOM 378 CA ARG A 27 4.800 -5.101 -3.341 1.00 0.00 C ATOM 379 C ARG A 27 3.464 -5.618 -2.815 1.00 0.00 C ATOM 380 O ARG A 27 3.336 -5.951 -1.635 1.00 0.00 O ATOM 381 CB ARG A 27 5.233 -5.922 -4.558 1.00 0.00 C ATOM 382 CG ARG A 27 6.037 -5.127 -5.573 1.00 0.00 C ATOM 383 CD ARG A 27 7.080 -5.995 -6.260 1.00 0.00 C ATOM 384 NE ARG A 27 7.694 -5.315 -7.398 1.00 0.00 N ATOM 385 CZ ARG A 27 8.591 -4.338 -7.281 1.00 0.00 C ATOM 386 NH1 ARG A 27 8.980 -3.924 -6.082 1.00 0.00 N ATOM 387 NH2 ARG A 27 9.101 -3.774 -8.367 1.00 0.00 N ATOM 0 H ARG A 27 6.677 -5.647 -2.581 1.00 0.00 H new ATOM 0 HA ARG A 27 4.670 -4.060 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.828 -6.771 -4.220 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.347 -6.328 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.365 -4.703 -6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.528 -4.291 -5.075 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.853 -6.270 -5.542 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.615 -6.921 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 27 7.420 -5.606 -8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.592 -4.355 -5.243 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.668 -3.175 -5.999 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.806 -4.089 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.788 -3.025 -8.278 1.00 0.00 H new ATOM 401 N GLY A 28 2.469 -5.680 -3.696 1.00 0.00 N ATOM 402 CA GLY A 28 1.156 -6.155 -3.301 1.00 0.00 C ATOM 403 C GLY A 28 0.469 -6.951 -4.393 1.00 0.00 C ATOM 404 O GLY A 28 0.084 -8.100 -4.181 1.00 0.00 O ATOM 0 H GLY A 28 2.550 -5.410 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.252 -6.776 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.532 -5.303 -3.031 1.00 0.00 H new ATOM 408 N THR A 29 0.313 -6.335 -5.563 1.00 0.00 N ATOM 409 CA THR A 29 -0.333 -6.984 -6.705 1.00 0.00 C ATOM 410 C THR A 29 -1.843 -7.096 -6.493 1.00 0.00 C ATOM 411 O THR A 29 -2.626 -6.560 -7.276 1.00 0.00 O ATOM 412 CB THR A 29 0.271 -8.371 -6.964 1.00 0.00 C ATOM 413 OG1 THR A 29 -0.381 -9.365 -6.192 1.00 0.00 O ATOM 414 CG2 THR A 29 1.752 -8.450 -6.658 1.00 0.00 C ATOM 0 H THR A 29 0.627 -5.382 -5.747 1.00 0.00 H new ATOM 0 HA THR A 29 -0.155 -6.361 -7.581 1.00 0.00 H new ATOM 0 HB THR A 29 0.126 -8.546 -8.030 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.033 -9.414 -5.305 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.113 -9.458 -6.863 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.291 -7.737 -7.282 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.920 -8.212 -5.608 1.00 0.00 H new ATOM 422 N LEU A 30 -2.246 -7.796 -5.434 1.00 0.00 N ATOM 423 CA LEU A 30 -3.668 -7.975 -5.131 1.00 0.00 C ATOM 424 C LEU A 30 -4.415 -6.644 -5.209 1.00 0.00 C ATOM 425 O LEU A 30 -5.464 -6.546 -5.845 1.00 0.00 O ATOM 426 CB LEU A 30 -3.872 -8.609 -3.745 1.00 0.00 C ATOM 427 CG LEU A 30 -2.665 -8.572 -2.804 1.00 0.00 C ATOM 428 CD1 LEU A 30 -3.118 -8.491 -1.355 1.00 0.00 C ATOM 429 CD2 LEU A 30 -1.789 -9.798 -3.023 1.00 0.00 C ATOM 0 H LEU A 30 -1.613 -8.247 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.075 -8.652 -5.882 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.704 -8.103 -3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -4.168 -9.649 -3.883 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.078 -7.681 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.246 -8.466 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.708 -7.586 -1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.726 -9.363 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.934 -9.760 -2.348 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.368 -10.699 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.436 -9.814 -4.054 1.00 0.00 H new ATOM 441 N SER A 31 -3.866 -5.622 -4.559 1.00 0.00 N ATOM 442 CA SER A 31 -4.475 -4.296 -4.558 1.00 0.00 C ATOM 443 C SER A 31 -5.911 -4.350 -4.039 1.00 0.00 C ATOM 444 O SER A 31 -6.822 -3.775 -4.636 1.00 0.00 O ATOM 445 CB SER A 31 -4.451 -3.700 -5.967 1.00 0.00 C ATOM 446 OG SER A 31 -5.200 -2.500 -6.029 1.00 0.00 O ATOM 0 H SER A 31 -2.999 -5.687 -4.025 1.00 0.00 H new ATOM 0 HA SER A 31 -3.894 -3.660 -3.891 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.421 -3.504 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.856 -4.421 -6.677 1.00 0.00 H new ATOM 0 HG SER A 31 -6.133 -2.684 -5.790 1.00 0.00 H new ATOM 452 N THR A 32 -6.103 -5.044 -2.924 1.00 0.00 N ATOM 453 CA THR A 32 -7.422 -5.174 -2.317 1.00 0.00 C ATOM 454 C THR A 32 -7.329 -5.002 -0.801 1.00 0.00 C ATOM 455 O THR A 32 -6.499 -4.241 -0.311 1.00 0.00 O ATOM 456 CB THR A 32 -8.033 -6.531 -2.678 1.00 0.00 C ATOM 457 OG1 THR A 32 -7.492 -7.017 -3.893 1.00 0.00 O ATOM 458 CG2 THR A 32 -9.538 -6.483 -2.830 1.00 0.00 C ATOM 0 H THR A 32 -5.359 -5.527 -2.420 1.00 0.00 H new ATOM 0 HA THR A 32 -8.071 -4.390 -2.706 1.00 0.00 H new ATOM 0 HB THR A 32 -7.788 -7.192 -1.847 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.894 -7.885 -4.106 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.910 -7.475 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.988 -6.158 -1.892 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.802 -5.782 -3.622 1.00 0.00 H new ATOM 466 N THR A 33 -8.183 -5.702 -0.058 1.00 0.00 N ATOM 467 CA THR A 33 -8.172 -5.605 1.396 1.00 0.00 C ATOM 468 C THR A 33 -8.785 -6.840 2.045 1.00 0.00 C ATOM 469 O THR A 33 -8.071 -7.736 2.494 1.00 0.00 O ATOM 470 CB THR A 33 -8.930 -4.362 1.856 1.00 0.00 C ATOM 471 OG1 THR A 33 -10.264 -4.384 1.383 1.00 0.00 O ATOM 472 CG2 THR A 33 -8.299 -3.072 1.389 1.00 0.00 C ATOM 0 H THR A 33 -8.885 -6.337 -0.437 1.00 0.00 H new ATOM 0 HA THR A 33 -7.130 -5.533 1.707 1.00 0.00 H new ATOM 0 HB THR A 33 -8.898 -4.390 2.945 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.265 -4.323 0.405 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.887 -2.228 1.750 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.284 -3.001 1.780 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.270 -3.055 0.300 1.00 0.00 H new ATOM 480 N ILE A 34 -10.112 -6.876 2.104 1.00 0.00 N ATOM 481 CA ILE A 34 -10.811 -7.993 2.717 1.00 0.00 C ATOM 482 C ILE A 34 -12.151 -8.265 2.030 1.00 0.00 C ATOM 483 O ILE A 34 -12.516 -9.418 1.801 1.00 0.00 O ATOM 484 CB ILE A 34 -11.028 -7.738 4.230 1.00 0.00 C ATOM 485 CG1 ILE A 34 -10.705 -9.000 5.028 1.00 0.00 C ATOM 486 CG2 ILE A 34 -12.448 -7.265 4.525 1.00 0.00 C ATOM 487 CD1 ILE A 34 -9.272 -9.056 5.505 1.00 0.00 C ATOM 0 H ILE A 34 -10.721 -6.146 1.735 1.00 0.00 H new ATOM 0 HA ILE A 34 -10.185 -8.877 2.593 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.350 -6.941 4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.370 -9.056 5.890 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.909 -9.874 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -12.560 -7.097 5.596 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.640 -6.335 3.990 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -13.159 -8.024 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.111 -9.977 6.065 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.601 -9.031 4.646 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.069 -8.200 6.149 1.00 0.00 H new ATOM 499 N THR A 35 -12.881 -7.200 1.716 1.00 0.00 N ATOM 500 CA THR A 35 -14.182 -7.336 1.070 1.00 0.00 C ATOM 501 C THR A 35 -14.196 -6.682 -0.307 1.00 0.00 C ATOM 502 O THR A 35 -15.248 -6.259 -0.790 1.00 0.00 O ATOM 503 CB THR A 35 -15.272 -6.730 1.951 1.00 0.00 C ATOM 504 OG1 THR A 35 -14.941 -6.869 3.323 1.00 0.00 O ATOM 505 CG2 THR A 35 -16.632 -7.360 1.741 1.00 0.00 C ATOM 0 H THR A 35 -12.596 -6.238 1.897 1.00 0.00 H new ATOM 0 HA THR A 35 -14.377 -8.400 0.935 1.00 0.00 H new ATOM 0 HB THR A 35 -15.328 -5.681 1.661 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.752 -6.778 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.359 -6.883 2.398 1.00 0.00 H new ATOM 0 HG22 THR A 35 -16.938 -7.227 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 35 -16.579 -8.424 1.971 1.00 0.00 H new ATOM 513 N GLY A 36 -13.033 -6.610 -0.945 1.00 0.00 N ATOM 514 CA GLY A 36 -12.952 -6.016 -2.266 1.00 0.00 C ATOM 515 C GLY A 36 -12.284 -4.655 -2.270 1.00 0.00 C ATOM 516 O GLY A 36 -11.667 -4.266 -3.262 1.00 0.00 O ATOM 0 H GLY A 36 -12.147 -6.951 -0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.400 -6.686 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.957 -5.921 -2.677 1.00 0.00 H new ATOM 520 N ARG A 37 -12.407 -3.927 -1.164 1.00 0.00 N ATOM 521 CA ARG A 37 -11.806 -2.599 -1.059 1.00 0.00 C ATOM 522 C ARG A 37 -10.315 -2.654 -1.382 1.00 0.00 C ATOM 523 O ARG A 37 -9.694 -3.713 -1.295 1.00 0.00 O ATOM 524 CB ARG A 37 -12.026 -2.018 0.338 1.00 0.00 C ATOM 525 CG ARG A 37 -13.428 -2.244 0.881 1.00 0.00 C ATOM 526 CD ARG A 37 -13.410 -3.079 2.153 1.00 0.00 C ATOM 527 NE ARG A 37 -14.745 -3.545 2.517 1.00 0.00 N ATOM 528 CZ ARG A 37 -15.103 -3.884 3.754 1.00 0.00 C ATOM 529 NH1 ARG A 37 -14.224 -3.829 4.747 1.00 0.00 N ATOM 530 NH2 ARG A 37 -16.343 -4.286 3.997 1.00 0.00 N ATOM 0 H ARG A 37 -12.914 -4.230 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.292 -1.948 -1.786 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.305 -2.462 1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -11.824 -0.947 0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.899 -1.282 1.083 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.035 -2.744 0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.751 -3.936 2.015 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.997 -2.487 2.970 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.446 -3.615 1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.267 -3.526 4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.505 -4.090 5.692 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.021 -4.335 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.618 -4.546 4.944 1.00 0.00 H new ATOM 544 N THR A 38 -9.748 -1.516 -1.771 1.00 0.00 N ATOM 545 CA THR A 38 -8.333 -1.457 -2.123 1.00 0.00 C ATOM 546 C THR A 38 -7.461 -1.086 -0.935 1.00 0.00 C ATOM 547 O THR A 38 -7.948 -0.809 0.156 1.00 0.00 O ATOM 548 CB THR A 38 -8.089 -0.445 -3.240 1.00 0.00 C ATOM 549 OG1 THR A 38 -8.094 0.884 -2.731 1.00 0.00 O ATOM 550 CG2 THR A 38 -9.114 -0.517 -4.350 1.00 0.00 C ATOM 0 H THR A 38 -10.243 -0.628 -1.850 1.00 0.00 H new ATOM 0 HA THR A 38 -8.061 -2.457 -2.459 1.00 0.00 H new ATOM 0 HB THR A 38 -7.114 -0.704 -3.652 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.934 1.515 -3.463 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.880 0.229 -5.110 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.095 -1.510 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.106 -0.322 -3.943 1.00 0.00 H new ATOM 558 N CYS A 39 -6.158 -1.079 -1.178 1.00 0.00 N ATOM 559 CA CYS A 39 -5.174 -0.735 -0.161 1.00 0.00 C ATOM 560 C CYS A 39 -5.047 0.786 -0.006 1.00 0.00 C ATOM 561 O CYS A 39 -4.277 1.270 0.825 1.00 0.00 O ATOM 562 CB CYS A 39 -3.822 -1.343 -0.542 1.00 0.00 C ATOM 563 SG CYS A 39 -2.446 -0.893 0.564 1.00 0.00 S ATOM 0 H CYS A 39 -5.753 -1.311 -2.085 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.503 -1.140 0.796 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -3.918 -2.429 -0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.572 -1.032 -1.556 1.00 0.00 H new ATOM 568 N GLN A 40 -5.802 1.539 -0.808 1.00 0.00 N ATOM 569 CA GLN A 40 -5.763 3.001 -0.757 1.00 0.00 C ATOM 570 C GLN A 40 -4.442 3.522 -1.311 1.00 0.00 C ATOM 571 O GLN A 40 -3.374 3.257 -0.757 1.00 0.00 O ATOM 572 CB GLN A 40 -5.971 3.502 0.678 1.00 0.00 C ATOM 573 CG GLN A 40 -7.299 4.211 0.881 1.00 0.00 C ATOM 574 CD GLN A 40 -7.160 5.720 0.899 1.00 0.00 C ATOM 575 OE1 GLN A 40 -6.761 6.307 1.904 1.00 0.00 O ATOM 576 NE2 GLN A 40 -7.490 6.357 -0.218 1.00 0.00 N ATOM 0 H GLN A 40 -6.448 1.160 -1.501 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.575 3.382 -1.376 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.910 2.656 1.363 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.160 4.182 0.939 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.985 3.923 0.085 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -7.743 3.880 1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.816 5.830 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.417 7.373 -0.266 1.00 0.00 H new ATOM 585 N SER A 41 -4.524 4.259 -2.413 1.00 0.00 N ATOM 586 CA SER A 41 -3.337 4.812 -3.053 1.00 0.00 C ATOM 587 C SER A 41 -2.750 5.955 -2.236 1.00 0.00 C ATOM 588 O SER A 41 -2.910 7.122 -2.589 1.00 0.00 O ATOM 589 CB SER A 41 -3.676 5.300 -4.464 1.00 0.00 C ATOM 590 OG SER A 41 -4.702 4.513 -5.044 1.00 0.00 O ATOM 0 H SER A 41 -5.401 4.487 -2.882 1.00 0.00 H new ATOM 0 HA SER A 41 -2.591 4.020 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.991 6.343 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.785 5.259 -5.090 1.00 0.00 H new ATOM 0 HG SER A 41 -4.314 3.694 -5.418 1.00 0.00 H new ATOM 596 N TRP A 42 -2.076 5.601 -1.137 1.00 0.00 N ATOM 597 CA TRP A 42 -1.449 6.583 -0.235 1.00 0.00 C ATOM 598 C TRP A 42 -1.082 7.873 -0.966 1.00 0.00 C ATOM 599 O TRP A 42 0.026 8.008 -1.483 1.00 0.00 O ATOM 600 CB TRP A 42 -0.185 6.010 0.432 1.00 0.00 C ATOM 601 CG TRP A 42 0.014 4.531 0.251 1.00 0.00 C ATOM 602 CD1 TRP A 42 0.171 3.861 -0.926 1.00 0.00 C ATOM 603 CD2 TRP A 42 0.090 3.544 1.286 1.00 0.00 C ATOM 604 NE1 TRP A 42 0.326 2.515 -0.688 1.00 0.00 N ATOM 605 CE2 TRP A 42 0.284 2.298 0.664 1.00 0.00 C ATOM 606 CE3 TRP A 42 0.009 3.596 2.679 1.00 0.00 C ATOM 607 CZ2 TRP A 42 0.399 1.113 1.388 1.00 0.00 C ATOM 608 CZ3 TRP A 42 0.125 2.420 3.396 1.00 0.00 C ATOM 609 CH2 TRP A 42 0.318 1.194 2.749 1.00 0.00 C ATOM 0 H TRP A 42 -1.948 4.632 -0.845 1.00 0.00 H new ATOM 0 HA TRP A 42 -2.190 6.809 0.532 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.686 6.530 0.033 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.225 6.228 1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.173 4.320 -1.903 1.00 0.00 H new ATOM 0 HE1 TRP A 42 0.452 1.797 -1.401 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.141 4.537 3.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.547 0.165 0.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 0.066 2.448 4.474 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.405 0.293 3.338 1.00 0.00 H new ATOM 620 N SER A 43 -2.032 8.808 -1.002 1.00 0.00 N ATOM 621 CA SER A 43 -1.855 10.103 -1.666 1.00 0.00 C ATOM 622 C SER A 43 -3.189 10.595 -2.219 1.00 0.00 C ATOM 623 O SER A 43 -3.372 11.790 -2.452 1.00 0.00 O ATOM 624 CB SER A 43 -0.833 10.016 -2.806 1.00 0.00 C ATOM 625 OG SER A 43 -0.972 11.106 -3.703 1.00 0.00 O ATOM 0 H SER A 43 -2.949 8.690 -0.571 1.00 0.00 H new ATOM 0 HA SER A 43 -1.481 10.806 -0.922 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.176 10.007 -2.394 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.965 9.078 -3.346 1.00 0.00 H new ATOM 0 HG SER A 43 -0.308 11.027 -4.419 1.00 0.00 H new ATOM 631 N SER A 44 -4.118 9.665 -2.431 1.00 0.00 N ATOM 632 CA SER A 44 -5.434 10.008 -2.963 1.00 0.00 C ATOM 633 C SER A 44 -6.338 10.560 -1.866 1.00 0.00 C ATOM 634 O SER A 44 -7.116 9.822 -1.260 1.00 0.00 O ATOM 635 CB SER A 44 -6.082 8.780 -3.605 1.00 0.00 C ATOM 636 OG SER A 44 -5.682 8.639 -4.957 1.00 0.00 O ATOM 0 H SER A 44 -3.984 8.671 -2.243 1.00 0.00 H new ATOM 0 HA SER A 44 -5.302 10.780 -3.721 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.806 7.886 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.167 8.868 -3.551 1.00 0.00 H new ATOM 0 HG SER A 44 -6.109 7.846 -5.343 1.00 0.00 H new ATOM 642 N MET A 45 -6.231 11.860 -1.616 1.00 0.00 N ATOM 643 CA MET A 45 -7.039 12.512 -0.592 1.00 0.00 C ATOM 644 C MET A 45 -8.342 13.043 -1.179 1.00 0.00 C ATOM 645 O MET A 45 -8.364 14.097 -1.815 1.00 0.00 O ATOM 646 CB MET A 45 -6.256 13.655 0.054 1.00 0.00 C ATOM 647 CG MET A 45 -5.519 13.249 1.320 1.00 0.00 C ATOM 648 SD MET A 45 -3.880 13.989 1.441 1.00 0.00 S ATOM 649 CE MET A 45 -3.229 13.125 2.866 1.00 0.00 C ATOM 0 H MET A 45 -5.592 12.484 -2.109 1.00 0.00 H new ATOM 0 HA MET A 45 -7.281 11.770 0.168 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.536 14.044 -0.666 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.943 14.468 0.289 1.00 0.00 H new ATOM 0 HG2 MET A 45 -6.110 13.541 2.188 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.426 12.163 1.348 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.740 13.837 3.531 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.044 12.633 3.397 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.506 12.378 2.539 1.00 0.00 H new ATOM 659 N THR A 46 -9.427 12.308 -0.959 1.00 0.00 N ATOM 660 CA THR A 46 -10.737 12.713 -1.466 1.00 0.00 C ATOM 661 C THR A 46 -11.864 12.205 -0.561 1.00 0.00 C ATOM 662 O THR A 46 -12.568 13.003 0.057 1.00 0.00 O ATOM 663 CB THR A 46 -10.945 12.244 -2.918 1.00 0.00 C ATOM 664 OG1 THR A 46 -12.208 11.622 -3.081 1.00 0.00 O ATOM 665 CG2 THR A 46 -9.888 11.276 -3.418 1.00 0.00 C ATOM 0 H THR A 46 -9.428 11.432 -0.436 1.00 0.00 H new ATOM 0 HA THR A 46 -10.767 13.803 -1.460 1.00 0.00 H new ATOM 0 HB THR A 46 -10.874 13.158 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.314 11.336 -4.012 1.00 0.00 H new ATOM 0 HG21 THR A 46 -10.109 10.996 -4.448 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.908 11.752 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.886 10.384 -2.792 1.00 0.00 H new ATOM 673 N PRO A 47 -12.057 10.874 -0.463 1.00 0.00 N ATOM 674 CA PRO A 47 -13.110 10.298 0.378 1.00 0.00 C ATOM 675 C PRO A 47 -12.759 10.354 1.860 1.00 0.00 C ATOM 676 O PRO A 47 -13.606 10.665 2.700 1.00 0.00 O ATOM 677 CB PRO A 47 -13.183 8.849 -0.099 1.00 0.00 C ATOM 678 CG PRO A 47 -11.803 8.547 -0.565 1.00 0.00 C ATOM 679 CD PRO A 47 -11.276 9.827 -1.155 1.00 0.00 C ATOM 0 HA PRO A 47 -14.051 10.840 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.487 8.180 0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -13.909 8.731 -0.903 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -11.177 8.211 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.807 7.748 -1.307 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.207 9.940 -0.977 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.425 9.863 -2.234 1.00 0.00 H new ATOM 687 N HIS A 48 -11.504 10.050 2.175 1.00 0.00 N ATOM 688 CA HIS A 48 -11.035 10.065 3.556 1.00 0.00 C ATOM 689 C HIS A 48 -9.554 10.426 3.617 1.00 0.00 C ATOM 690 O HIS A 48 -8.821 10.248 2.645 1.00 0.00 O ATOM 691 CB HIS A 48 -11.267 8.701 4.210 1.00 0.00 C ATOM 692 CG HIS A 48 -10.883 7.545 3.338 1.00 0.00 C ATOM 693 ND1 HIS A 48 -11.743 6.976 2.423 1.00 0.00 N ATOM 694 CD2 HIS A 48 -9.722 6.854 3.241 1.00 0.00 C ATOM 695 CE1 HIS A 48 -11.128 5.983 1.802 1.00 0.00 C ATOM 696 NE2 HIS A 48 -9.901 5.889 2.280 1.00 0.00 N ATOM 0 H HIS A 48 -10.793 9.790 1.492 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.601 10.821 4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -10.697 8.651 5.138 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.320 8.610 4.477 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -12.703 7.274 2.252 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.823 7.029 3.813 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -11.557 5.356 1.034 1.00 0.00 H new ATOM 705 N TRP A 49 -9.119 10.936 4.764 1.00 0.00 N ATOM 706 CA TRP A 49 -7.724 11.321 4.947 1.00 0.00 C ATOM 707 C TRP A 49 -6.797 10.130 4.715 1.00 0.00 C ATOM 708 O TRP A 49 -7.208 8.977 4.840 1.00 0.00 O ATOM 709 CB TRP A 49 -7.508 11.892 6.350 1.00 0.00 C ATOM 710 CG TRP A 49 -7.038 13.316 6.343 1.00 0.00 C ATOM 711 CD1 TRP A 49 -7.815 14.436 6.293 1.00 0.00 C ATOM 712 CD2 TRP A 49 -5.681 13.771 6.381 1.00 0.00 C ATOM 713 NE1 TRP A 49 -7.027 15.559 6.301 1.00 0.00 N ATOM 714 CE2 TRP A 49 -5.713 15.178 6.355 1.00 0.00 C ATOM 715 CE3 TRP A 49 -4.440 13.128 6.437 1.00 0.00 C ATOM 716 CZ2 TRP A 49 -4.556 15.951 6.382 1.00 0.00 C ATOM 717 CZ3 TRP A 49 -3.292 13.897 6.464 1.00 0.00 C ATOM 718 CH2 TRP A 49 -3.357 15.296 6.436 1.00 0.00 C ATOM 0 H TRP A 49 -9.711 11.092 5.580 1.00 0.00 H new ATOM 0 HA TRP A 49 -7.485 12.091 4.213 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.441 11.827 6.909 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.778 11.278 6.877 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -8.894 14.438 6.253 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.365 16.521 6.272 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.380 12.050 6.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -4.604 17.030 6.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.328 13.411 6.507 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.442 15.869 6.457 1.00 0.00 H new ATOM 729 N HIS A 50 -5.547 10.419 4.373 1.00 0.00 N ATOM 730 CA HIS A 50 -4.562 9.374 4.119 1.00 0.00 C ATOM 731 C HIS A 50 -3.589 9.243 5.285 1.00 0.00 C ATOM 732 O HIS A 50 -3.745 9.897 6.317 1.00 0.00 O ATOM 733 CB HIS A 50 -3.793 9.675 2.832 1.00 0.00 C ATOM 734 CG HIS A 50 -4.307 8.934 1.639 1.00 0.00 C ATOM 735 ND1 HIS A 50 -4.137 7.578 1.464 1.00 0.00 N ATOM 736 CD2 HIS A 50 -4.991 9.369 0.555 1.00 0.00 C ATOM 737 CE1 HIS A 50 -4.690 7.210 0.321 1.00 0.00 C ATOM 738 NE2 HIS A 50 -5.216 8.278 -0.248 1.00 0.00 N ATOM 0 H HIS A 50 -5.191 11.369 4.265 1.00 0.00 H new ATOM 0 HA HIS A 50 -5.094 8.429 4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.841 10.746 2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -2.742 9.425 2.980 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -3.659 6.955 2.115 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -5.302 10.384 0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -4.708 6.207 -0.079 1.00 0.00 H new ATOM 747 N ARG A 51 -2.581 8.395 5.109 1.00 0.00 N ATOM 748 CA ARG A 51 -1.576 8.179 6.141 1.00 0.00 C ATOM 749 C ARG A 51 -0.304 8.969 5.824 1.00 0.00 C ATOM 750 O ARG A 51 -0.363 9.995 5.146 1.00 0.00 O ATOM 751 CB ARG A 51 -1.272 6.680 6.272 1.00 0.00 C ATOM 752 CG ARG A 51 -0.486 6.099 5.103 1.00 0.00 C ATOM 753 CD ARG A 51 0.611 5.161 5.584 1.00 0.00 C ATOM 754 NE ARG A 51 0.104 4.160 6.524 1.00 0.00 N ATOM 755 CZ ARG A 51 0.233 4.241 7.847 1.00 0.00 C ATOM 756 NH1 ARG A 51 0.846 5.278 8.407 1.00 0.00 N ATOM 757 NH2 ARG A 51 -0.258 3.280 8.617 1.00 0.00 N ATOM 0 H ARG A 51 -2.439 7.846 4.261 1.00 0.00 H new ATOM 0 HA ARG A 51 -1.965 8.537 7.094 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.711 6.513 7.192 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.212 6.137 6.369 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.163 5.560 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.046 6.908 4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.060 4.659 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.400 5.741 6.063 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.379 3.348 6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.224 6.024 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.939 5.329 9.422 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.733 2.482 8.196 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.161 3.339 9.631 1.00 0.00 H new ATOM 771 N ARG A 52 0.838 8.494 6.316 1.00 0.00 N ATOM 772 CA ARG A 52 2.109 9.167 6.076 1.00 0.00 C ATOM 773 C ARG A 52 2.481 9.110 4.597 1.00 0.00 C ATOM 774 O ARG A 52 3.410 8.401 4.205 1.00 0.00 O ATOM 775 CB ARG A 52 3.215 8.531 6.919 1.00 0.00 C ATOM 776 CG ARG A 52 2.873 8.434 8.397 1.00 0.00 C ATOM 777 CD ARG A 52 3.954 7.696 9.173 1.00 0.00 C ATOM 778 NE ARG A 52 5.280 8.262 8.934 1.00 0.00 N ATOM 779 CZ ARG A 52 5.694 9.419 9.445 1.00 0.00 C ATOM 780 NH1 ARG A 52 4.892 10.137 10.221 1.00 0.00 N ATOM 781 NH2 ARG A 52 6.917 9.860 9.181 1.00 0.00 N ATOM 0 H ARG A 52 0.908 7.648 6.882 1.00 0.00 H new ATOM 0 HA ARG A 52 2.000 10.212 6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.423 7.532 6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.129 9.113 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.748 9.435 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.921 7.918 8.518 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.728 7.738 10.239 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.952 6.644 8.888 1.00 0.00 H new ATOM 0 HE ARG A 52 5.926 7.740 8.341 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.951 9.803 10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 52 5.217 11.023 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.539 9.312 8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.235 10.747 9.572 1.00 0.00 H new ATOM 795 N ILE A 53 1.747 9.855 3.779 1.00 0.00 N ATOM 796 CA ILE A 53 1.989 9.892 2.341 1.00 0.00 C ATOM 797 C ILE A 53 3.437 10.244 2.025 1.00 0.00 C ATOM 798 O ILE A 53 4.162 10.752 2.879 1.00 0.00 O ATOM 799 CB ILE A 53 1.068 10.909 1.638 1.00 0.00 C ATOM 800 CG1 ILE A 53 1.195 12.285 2.287 1.00 0.00 C ATOM 801 CG2 ILE A 53 -0.370 10.423 1.671 1.00 0.00 C ATOM 802 CD1 ILE A 53 0.799 13.425 1.375 1.00 0.00 C ATOM 0 H ILE A 53 0.975 10.445 4.089 1.00 0.00 H new ATOM 0 HA ILE A 53 1.772 8.891 1.968 1.00 0.00 H new ATOM 0 HB ILE A 53 1.376 11.000 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.573 12.314 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.226 12.431 2.610 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.011 11.149 1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.442 9.463 1.159 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.691 10.307 2.706 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.915 14.371 1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.437 13.423 0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.241 13.304 1.072 1.00 0.00 H new ATOM 814 N PRO A 54 3.869 9.972 0.782 1.00 0.00 N ATOM 815 CA PRO A 54 5.239 10.252 0.317 1.00 0.00 C ATOM 816 C PRO A 54 5.615 11.728 0.435 1.00 0.00 C ATOM 817 O PRO A 54 5.838 12.405 -0.569 1.00 0.00 O ATOM 818 CB PRO A 54 5.199 9.832 -1.160 1.00 0.00 C ATOM 819 CG PRO A 54 3.754 9.855 -1.508 1.00 0.00 C ATOM 820 CD PRO A 54 3.062 9.358 -0.285 1.00 0.00 C ATOM 0 HA PRO A 54 5.983 9.725 0.914 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.770 10.519 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.627 8.840 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.425 10.861 -1.768 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.544 9.219 -2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.020 9.676 -0.246 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.065 8.270 -0.226 1.00 0.00 H new ATOM 828 N LEU A 55 5.685 12.220 1.665 1.00 0.00 N ATOM 829 CA LEU A 55 6.035 13.614 1.910 1.00 0.00 C ATOM 830 C LEU A 55 6.771 13.775 3.238 1.00 0.00 C ATOM 831 O LEU A 55 7.666 14.611 3.365 1.00 0.00 O ATOM 832 CB LEU A 55 4.777 14.484 1.901 1.00 0.00 C ATOM 833 CG LEU A 55 5.010 15.963 2.220 1.00 0.00 C ATOM 834 CD1 LEU A 55 5.025 16.791 0.944 1.00 0.00 C ATOM 835 CD2 LEU A 55 3.945 16.477 3.178 1.00 0.00 C ATOM 0 H LEU A 55 5.504 11.675 2.508 1.00 0.00 H new ATOM 0 HA LEU A 55 6.702 13.938 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.309 14.409 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.069 14.079 2.624 1.00 0.00 H new ATOM 0 HG LEU A 55 5.983 16.060 2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.192 17.839 1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.825 16.441 0.292 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.068 16.687 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.127 17.530 3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.961 16.364 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.983 15.905 4.105 1.00 0.00 H new ATOM 847 N TYR A 56 6.388 12.973 4.227 1.00 0.00 N ATOM 848 CA TYR A 56 7.009 13.029 5.546 1.00 0.00 C ATOM 849 C TYR A 56 8.022 11.903 5.713 1.00 0.00 C ATOM 850 O TYR A 56 9.145 12.127 6.163 1.00 0.00 O ATOM 851 CB TYR A 56 5.947 12.943 6.649 1.00 0.00 C ATOM 852 CG TYR A 56 4.554 13.319 6.190 1.00 0.00 C ATOM 853 CD1 TYR A 56 3.764 12.406 5.508 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.035 14.583 6.434 1.00 0.00 C ATOM 855 CE1 TYR A 56 2.497 12.739 5.080 1.00 0.00 C ATOM 856 CE2 TYR A 56 2.765 14.925 6.009 1.00 0.00 C ATOM 857 CZ TYR A 56 2.000 13.999 5.331 1.00 0.00 C ATOM 858 OH TYR A 56 0.736 14.335 4.905 1.00 0.00 O ATOM 0 H TYR A 56 5.649 12.275 4.139 1.00 0.00 H new ATOM 0 HA TYR A 56 7.528 13.984 5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.927 11.927 7.042 1.00 0.00 H new ATOM 0 HB3 TYR A 56 6.237 13.597 7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 56 4.148 11.417 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.632 15.310 6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 56 1.896 12.015 4.550 1.00 0.00 H new ATOM 0 HE2 TYR A 56 2.374 15.912 6.207 1.00 0.00 H new ATOM 0 HH TYR A 56 0.539 15.259 5.163 1.00 0.00 H new ATOM 868 N TYR A 57 7.622 10.690 5.342 1.00 0.00 N ATOM 869 CA TYR A 57 8.505 9.534 5.449 1.00 0.00 C ATOM 870 C TYR A 57 9.452 9.470 4.252 1.00 0.00 C ATOM 871 O TYR A 57 9.143 9.995 3.182 1.00 0.00 O ATOM 872 CB TYR A 57 7.686 8.239 5.543 1.00 0.00 C ATOM 873 CG TYR A 57 7.213 7.710 4.207 1.00 0.00 C ATOM 874 CD1 TYR A 57 6.081 8.229 3.592 1.00 0.00 C ATOM 875 CD2 TYR A 57 7.904 6.693 3.558 1.00 0.00 C ATOM 876 CE1 TYR A 57 5.649 7.750 2.371 1.00 0.00 C ATOM 877 CE2 TYR A 57 7.479 6.209 2.336 1.00 0.00 C ATOM 878 CZ TYR A 57 6.352 6.740 1.748 1.00 0.00 C ATOM 879 OH TYR A 57 5.927 6.262 0.529 1.00 0.00 O ATOM 0 H TYR A 57 6.697 10.483 4.966 1.00 0.00 H new ATOM 0 HA TYR A 57 9.098 9.640 6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 57 8.290 7.474 6.031 1.00 0.00 H new ATOM 0 HB3 TYR A 57 6.819 8.415 6.180 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.529 9.021 4.077 1.00 0.00 H new ATOM 0 HD2 TYR A 57 8.788 6.275 4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.766 8.164 1.907 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.027 5.419 1.844 1.00 0.00 H new ATOM 0 HH TYR A 57 6.699 5.948 0.014 1.00 0.00 H new ATOM 889 N PRO A 58 10.615 8.817 4.410 1.00 0.00 N ATOM 890 CA PRO A 58 11.589 8.685 3.327 1.00 0.00 C ATOM 891 C PRO A 58 10.962 8.066 2.084 1.00 0.00 C ATOM 892 O PRO A 58 10.523 6.917 2.109 1.00 0.00 O ATOM 893 CB PRO A 58 12.668 7.758 3.908 1.00 0.00 C ATOM 894 CG PRO A 58 12.055 7.145 5.123 1.00 0.00 C ATOM 895 CD PRO A 58 11.064 8.150 5.638 1.00 0.00 C ATOM 0 HA PRO A 58 11.983 9.650 3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.959 6.994 3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.569 8.316 4.162 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.564 6.203 4.879 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.814 6.925 5.874 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.238 7.672 6.164 1.00 0.00 H new ATOM 0 HD3 PRO A 58 11.523 8.851 6.335 1.00 0.00 H new ATOM 903 N ASN A 59 10.912 8.840 1.002 1.00 0.00 N ATOM 904 CA ASN A 59 10.325 8.378 -0.256 1.00 0.00 C ATOM 905 C ASN A 59 10.754 6.949 -0.579 1.00 0.00 C ATOM 906 O ASN A 59 11.815 6.723 -1.161 1.00 0.00 O ATOM 907 CB ASN A 59 10.719 9.316 -1.398 1.00 0.00 C ATOM 908 CG ASN A 59 10.305 10.752 -1.138 1.00 0.00 C ATOM 909 OD1 ASN A 59 11.100 11.677 -1.299 1.00 0.00 O ATOM 910 ND2 ASN A 59 9.054 10.944 -0.731 1.00 0.00 N ATOM 0 H ASN A 59 11.272 9.794 0.970 1.00 0.00 H new ATOM 0 HA ASN A 59 9.241 8.386 -0.142 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.798 9.273 -1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 59 10.259 8.970 -2.323 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.719 11.888 -0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.429 10.147 -0.611 1.00 0.00 H new ATOM 917 N ALA A 60 9.919 5.989 -0.192 1.00 0.00 N ATOM 918 CA ALA A 60 10.204 4.581 -0.433 1.00 0.00 C ATOM 919 C ALA A 60 9.803 4.173 -1.845 1.00 0.00 C ATOM 920 O ALA A 60 10.654 3.846 -2.673 1.00 0.00 O ATOM 921 CB ALA A 60 9.485 3.720 0.596 1.00 0.00 C ATOM 0 H ALA A 60 9.038 6.163 0.291 1.00 0.00 H new ATOM 0 HA ALA A 60 11.279 4.427 -0.334 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.704 2.669 0.408 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.825 3.988 1.596 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.410 3.886 0.522 1.00 0.00 H new ATOM 927 N GLY A 61 8.502 4.196 -2.118 1.00 0.00 N ATOM 928 CA GLY A 61 8.015 3.828 -3.435 1.00 0.00 C ATOM 929 C GLY A 61 6.695 3.084 -3.383 1.00 0.00 C ATOM 930 O GLY A 61 6.553 2.019 -3.984 1.00 0.00 O ATOM 0 H GLY A 61 7.777 4.463 -1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.897 4.728 -4.039 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.759 3.206 -3.932 1.00 0.00 H new ATOM 934 N LEU A 62 5.727 3.648 -2.670 1.00 0.00 N ATOM 935 CA LEU A 62 4.412 3.030 -2.552 1.00 0.00 C ATOM 936 C LEU A 62 3.754 2.901 -3.921 1.00 0.00 C ATOM 937 O LEU A 62 3.504 3.899 -4.597 1.00 0.00 O ATOM 938 CB LEU A 62 3.521 3.850 -1.615 1.00 0.00 C ATOM 939 CG LEU A 62 4.099 4.091 -0.219 1.00 0.00 C ATOM 940 CD1 LEU A 62 3.387 5.251 0.462 1.00 0.00 C ATOM 941 CD2 LEU A 62 3.994 2.829 0.625 1.00 0.00 C ATOM 0 H LEU A 62 5.827 4.529 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 62 4.539 2.032 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.321 4.815 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.563 3.341 -1.512 1.00 0.00 H new ATOM 0 HG LEU A 62 5.153 4.350 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.812 5.407 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.513 6.155 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.325 5.023 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.410 3.018 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.947 2.541 0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.550 2.023 0.146 1.00 0.00 H new ATOM 953 N THR A 63 3.485 1.666 -4.331 1.00 0.00 N ATOM 954 CA THR A 63 2.863 1.407 -5.626 1.00 0.00 C ATOM 955 C THR A 63 1.360 1.640 -5.570 1.00 0.00 C ATOM 956 O THR A 63 0.568 0.732 -5.822 1.00 0.00 O ATOM 957 CB THR A 63 3.162 -0.022 -6.080 1.00 0.00 C ATOM 958 OG1 THR A 63 4.334 -0.513 -5.457 1.00 0.00 O ATOM 959 CG2 THR A 63 3.351 -0.147 -7.577 1.00 0.00 C ATOM 0 H THR A 63 3.688 0.828 -3.786 1.00 0.00 H new ATOM 0 HA THR A 63 3.285 2.104 -6.350 1.00 0.00 H new ATOM 0 HB THR A 63 2.288 -0.605 -5.790 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.506 -1.429 -5.760 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.560 -1.186 -7.832 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.443 0.176 -8.087 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.186 0.479 -7.892 1.00 0.00 H new ATOM 967 N ARG A 64 0.971 2.866 -5.245 1.00 0.00 N ATOM 968 CA ARG A 64 -0.439 3.221 -5.165 1.00 0.00 C ATOM 969 C ARG A 64 -1.160 2.350 -4.130 1.00 0.00 C ATOM 970 O ARG A 64 -0.666 2.165 -3.019 1.00 0.00 O ATOM 971 CB ARG A 64 -1.088 3.086 -6.547 1.00 0.00 C ATOM 972 CG ARG A 64 -0.297 3.758 -7.657 1.00 0.00 C ATOM 973 CD ARG A 64 0.447 2.742 -8.509 1.00 0.00 C ATOM 974 NE ARG A 64 0.786 3.272 -9.827 1.00 0.00 N ATOM 975 CZ ARG A 64 1.100 2.514 -10.874 1.00 0.00 C ATOM 976 NH1 ARG A 64 1.123 1.191 -10.761 1.00 0.00 N ATOM 977 NH2 ARG A 64 1.395 3.079 -12.036 1.00 0.00 N ATOM 0 H ARG A 64 1.612 3.631 -5.033 1.00 0.00 H new ATOM 0 HA ARG A 64 -0.525 4.258 -4.841 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.204 2.028 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -2.089 3.516 -6.513 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.973 4.337 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.415 4.461 -7.223 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.359 2.438 -7.996 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.166 1.849 -8.625 1.00 0.00 H new ATOM 0 HE ARG A 64 0.782 4.284 -9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.899 0.751 -9.868 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.364 0.614 -11.567 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.381 4.095 -12.127 1.00 0.00 H new ATOM 0 HH22 ARG A 64 1.636 2.498 -12.839 1.00 0.00 H new ATOM 991 N ASN A 65 -2.330 1.821 -4.490 1.00 0.00 N ATOM 992 CA ASN A 65 -3.102 0.982 -3.578 1.00 0.00 C ATOM 993 C ASN A 65 -2.796 -0.495 -3.796 1.00 0.00 C ATOM 994 O ASN A 65 -3.703 -1.326 -3.853 1.00 0.00 O ATOM 995 CB ASN A 65 -4.601 1.233 -3.770 1.00 0.00 C ATOM 996 CG ASN A 65 -5.014 1.179 -5.228 1.00 0.00 C ATOM 997 OD1 ASN A 65 -4.862 2.154 -5.965 1.00 0.00 O ATOM 998 ND2 ASN A 65 -5.543 0.037 -5.653 1.00 0.00 N ATOM 0 H ASN A 65 -2.761 1.959 -5.404 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.818 1.245 -2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.166 0.490 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.859 2.209 -3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.841 -0.057 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.651 -0.746 -5.008 1.00 0.00 H new ATOM 1005 N TYR A 66 -1.515 -0.819 -3.920 1.00 0.00 N ATOM 1006 CA TYR A 66 -1.099 -2.197 -4.137 1.00 0.00 C ATOM 1007 C TYR A 66 -0.827 -2.921 -2.819 1.00 0.00 C ATOM 1008 O TYR A 66 0.330 -3.156 -2.472 1.00 0.00 O ATOM 1009 CB TYR A 66 0.146 -2.244 -5.024 1.00 0.00 C ATOM 1010 CG TYR A 66 -0.157 -2.563 -6.470 1.00 0.00 C ATOM 1011 CD1 TYR A 66 -0.973 -3.634 -6.803 1.00 0.00 C ATOM 1012 CD2 TYR A 66 0.371 -1.792 -7.498 1.00 0.00 C ATOM 1013 CE1 TYR A 66 -1.255 -3.931 -8.123 1.00 0.00 C ATOM 1014 CE2 TYR A 66 0.093 -2.084 -8.820 1.00 0.00 C ATOM 1015 CZ TYR A 66 -0.719 -3.154 -9.127 1.00 0.00 C ATOM 1016 OH TYR A 66 -0.999 -3.447 -10.442 1.00 0.00 O ATOM 0 H TYR A 66 -0.749 -0.148 -3.874 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.919 -2.711 -4.638 1.00 0.00 H new ATOM 0 HB2 TYR A 66 0.657 -1.282 -4.971 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.834 -2.992 -4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.395 -4.245 -6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.008 -0.953 -7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.892 -4.768 -8.367 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.510 -1.476 -9.609 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.545 -2.803 -11.025 1.00 0.00 H new ATOM 1026 N CYS A 67 -1.901 -3.278 -2.100 1.00 0.00 N ATOM 1027 CA CYS A 67 -1.799 -3.999 -0.813 1.00 0.00 C ATOM 1028 C CYS A 67 -0.355 -4.134 -0.328 1.00 0.00 C ATOM 1029 O CYS A 67 0.415 -4.931 -0.867 1.00 0.00 O ATOM 1030 CB CYS A 67 -2.415 -5.393 -0.947 1.00 0.00 C ATOM 1031 SG CYS A 67 -4.046 -5.576 -0.157 1.00 0.00 S ATOM 0 H CYS A 67 -2.859 -3.079 -2.387 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.343 -3.410 -0.075 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.509 -5.635 -2.006 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.731 -6.122 -0.513 1.00 0.00 H new ATOM 1036 N ARG A 68 0.011 -3.364 0.691 1.00 0.00 N ATOM 1037 CA ARG A 68 1.365 -3.424 1.228 1.00 0.00 C ATOM 1038 C ARG A 68 1.477 -2.671 2.547 1.00 0.00 C ATOM 1039 O ARG A 68 0.609 -1.873 2.898 1.00 0.00 O ATOM 1040 CB ARG A 68 2.362 -2.852 0.216 1.00 0.00 C ATOM 1041 CG ARG A 68 2.009 -1.455 -0.265 1.00 0.00 C ATOM 1042 CD ARG A 68 2.601 -1.168 -1.637 1.00 0.00 C ATOM 1043 NE ARG A 68 3.985 -1.623 -1.747 1.00 0.00 N ATOM 1044 CZ ARG A 68 5.009 -1.035 -1.133 1.00 0.00 C ATOM 1045 NH1 ARG A 68 4.810 0.031 -0.367 1.00 0.00 N ATOM 1046 NH2 ARG A 68 6.236 -1.513 -1.288 1.00 0.00 N ATOM 0 H ARG A 68 -0.604 -2.697 1.158 1.00 0.00 H new ATOM 0 HA ARG A 68 1.600 -4.472 1.416 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.354 -2.831 0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.417 -3.520 -0.644 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.925 -1.347 -0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.376 -0.720 0.451 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.997 -1.658 -2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.556 -0.097 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 68 4.178 -2.439 -2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.868 0.404 -0.246 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.599 0.477 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.394 -2.330 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.022 -1.063 -0.818 1.00 0.00 H new ATOM 1060 N ASN A 69 2.558 -2.938 3.275 1.00 0.00 N ATOM 1061 CA ASN A 69 2.797 -2.294 4.561 1.00 0.00 C ATOM 1062 C ASN A 69 4.192 -1.677 4.607 1.00 0.00 C ATOM 1063 O ASN A 69 5.103 -2.128 3.914 1.00 0.00 O ATOM 1064 CB ASN A 69 2.643 -3.308 5.697 1.00 0.00 C ATOM 1065 CG ASN A 69 3.470 -4.562 5.472 1.00 0.00 C ATOM 1066 OD1 ASN A 69 3.983 -4.792 4.376 1.00 0.00 O ATOM 1067 ND2 ASN A 69 3.605 -5.378 6.513 1.00 0.00 N ATOM 0 H ASN A 69 3.283 -3.598 2.994 1.00 0.00 H new ATOM 0 HA ASN A 69 2.060 -1.500 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 69 2.941 -2.844 6.637 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.593 -3.582 5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.151 -6.235 6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.162 -5.147 7.403 1.00 0.00 H new ATOM 1074 N PRO A 70 4.381 -0.639 5.438 1.00 0.00 N ATOM 1075 CA PRO A 70 5.677 0.027 5.582 1.00 0.00 C ATOM 1076 C PRO A 70 6.661 -0.830 6.367 1.00 0.00 C ATOM 1077 O PRO A 70 7.876 -0.715 6.203 1.00 0.00 O ATOM 1078 CB PRO A 70 5.334 1.300 6.356 1.00 0.00 C ATOM 1079 CG PRO A 70 4.124 0.943 7.148 1.00 0.00 C ATOM 1080 CD PRO A 70 3.353 -0.046 6.315 1.00 0.00 C ATOM 0 HA PRO A 70 6.158 0.219 4.623 1.00 0.00 H new ATOM 0 HB2 PRO A 70 6.156 1.604 7.004 1.00 0.00 H new ATOM 0 HB3 PRO A 70 5.135 2.133 5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 70 4.402 0.510 8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 70 3.522 1.827 7.359 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.871 -0.802 6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.567 0.442 5.738 1.00 0.00 H new ATOM 1088 N ASP A 71 6.120 -1.697 7.216 1.00 0.00 N ATOM 1089 CA ASP A 71 6.931 -2.591 8.030 1.00 0.00 C ATOM 1090 C ASP A 71 6.662 -4.047 7.642 1.00 0.00 C ATOM 1091 O ASP A 71 6.312 -4.333 6.498 1.00 0.00 O ATOM 1092 CB ASP A 71 6.633 -2.362 9.515 1.00 0.00 C ATOM 1093 CG ASP A 71 7.880 -2.435 10.373 1.00 0.00 C ATOM 1094 OD1 ASP A 71 8.680 -1.476 10.341 1.00 0.00 O ATOM 1095 OD2 ASP A 71 8.059 -3.452 11.077 1.00 0.00 O ATOM 0 H ASP A 71 5.115 -1.799 7.358 1.00 0.00 H new ATOM 0 HA ASP A 71 7.985 -2.378 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.164 -1.386 9.642 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.915 -3.107 9.858 1.00 0.00 H new ATOM 1100 N ALA A 72 6.826 -4.963 8.593 1.00 0.00 N ATOM 1101 CA ALA A 72 6.597 -6.379 8.330 1.00 0.00 C ATOM 1102 C ALA A 72 5.727 -7.006 9.415 1.00 0.00 C ATOM 1103 O ALA A 72 6.126 -7.083 10.577 1.00 0.00 O ATOM 1104 CB ALA A 72 7.925 -7.113 8.229 1.00 0.00 C ATOM 0 H ALA A 72 7.115 -4.751 9.548 1.00 0.00 H new ATOM 0 HA ALA A 72 6.068 -6.468 7.381 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.743 -8.170 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.514 -6.689 7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.471 -7.007 9.166 1.00 0.00 H new ATOM 1110 N GLU A 73 4.536 -7.456 9.030 1.00 0.00 N ATOM 1111 CA GLU A 73 3.612 -8.078 9.972 1.00 0.00 C ATOM 1112 C GLU A 73 2.580 -8.933 9.241 1.00 0.00 C ATOM 1113 O GLU A 73 1.592 -8.416 8.719 1.00 0.00 O ATOM 1114 CB GLU A 73 2.906 -7.009 10.806 1.00 0.00 C ATOM 1115 CG GLU A 73 2.692 -7.411 12.258 1.00 0.00 C ATOM 1116 CD GLU A 73 2.278 -6.244 13.132 1.00 0.00 C ATOM 1117 OE1 GLU A 73 1.062 -5.981 13.234 1.00 0.00 O ATOM 1118 OE2 GLU A 73 3.171 -5.592 13.713 1.00 0.00 O ATOM 0 H GLU A 73 4.189 -7.401 8.073 1.00 0.00 H new ATOM 0 HA GLU A 73 4.189 -8.724 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.492 -6.090 10.775 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.940 -6.786 10.353 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.927 -8.186 12.307 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.612 -7.845 12.650 1.00 0.00 H new ATOM 1125 N ILE A 74 2.821 -10.246 9.210 1.00 0.00 N ATOM 1126 CA ILE A 74 1.923 -11.197 8.546 1.00 0.00 C ATOM 1127 C ILE A 74 1.372 -10.635 7.232 1.00 0.00 C ATOM 1128 O ILE A 74 1.998 -10.778 6.181 1.00 0.00 O ATOM 1129 CB ILE A 74 0.752 -11.632 9.460 1.00 0.00 C ATOM 1130 CG1 ILE A 74 0.453 -10.566 10.519 1.00 0.00 C ATOM 1131 CG2 ILE A 74 1.070 -12.964 10.123 1.00 0.00 C ATOM 1132 CD1 ILE A 74 -0.751 -10.890 11.379 1.00 0.00 C ATOM 0 H ILE A 74 3.638 -10.679 9.641 1.00 0.00 H new ATOM 0 HA ILE A 74 2.527 -12.077 8.324 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.137 -11.749 8.841 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.326 -10.447 11.160 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.289 -9.609 10.024 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.239 -13.259 10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.226 -13.724 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.974 -12.865 10.724 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.904 -10.093 12.106 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.635 -10.980 10.748 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -0.582 -11.831 11.902 1.00 0.00 H new ATOM 1144 N ARG A 75 0.205 -9.992 7.291 1.00 0.00 N ATOM 1145 CA ARG A 75 -0.400 -9.415 6.098 1.00 0.00 C ATOM 1146 C ARG A 75 -0.381 -7.889 6.176 1.00 0.00 C ATOM 1147 O ARG A 75 -0.571 -7.318 7.248 1.00 0.00 O ATOM 1148 CB ARG A 75 -1.835 -9.919 5.925 1.00 0.00 C ATOM 1149 CG ARG A 75 -2.734 -9.642 7.119 1.00 0.00 C ATOM 1150 CD ARG A 75 -4.095 -10.298 6.952 1.00 0.00 C ATOM 1151 NE ARG A 75 -4.182 -11.573 7.660 1.00 0.00 N ATOM 1152 CZ ARG A 75 -4.107 -11.695 8.984 1.00 0.00 C ATOM 1153 NH1 ARG A 75 -3.935 -10.624 9.749 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -4.203 -12.893 9.545 1.00 0.00 N ATOM 0 H ARG A 75 -0.334 -9.860 8.147 1.00 0.00 H new ATOM 0 HA ARG A 75 0.183 -9.728 5.232 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.269 -9.453 5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.813 -10.993 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.259 -10.012 8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.859 -8.566 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.869 -9.625 7.322 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.292 -10.458 5.892 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.308 -12.421 7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.859 -9.700 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.878 -10.725 10.762 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.334 -13.720 8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.146 -12.987 10.559 1.00 0.00 H new ATOM 1168 N PRO A 76 -0.140 -7.208 5.041 1.00 0.00 N ATOM 1169 CA PRO A 76 -0.085 -5.746 4.986 1.00 0.00 C ATOM 1170 C PRO A 76 -1.208 -5.084 5.781 1.00 0.00 C ATOM 1171 O PRO A 76 -2.147 -5.745 6.221 1.00 0.00 O ATOM 1172 CB PRO A 76 -0.215 -5.421 3.489 1.00 0.00 C ATOM 1173 CG PRO A 76 -0.358 -6.731 2.779 1.00 0.00 C ATOM 1174 CD PRO A 76 0.109 -7.800 3.725 1.00 0.00 C ATOM 0 HA PRO A 76 0.835 -5.367 5.432 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -1.080 -4.784 3.304 1.00 0.00 H new ATOM 0 HB3 PRO A 76 0.662 -4.880 3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -1.395 -6.900 2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 76 0.235 -6.740 1.865 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -0.445 -8.729 3.589 1.00 0.00 H new ATOM 0 HD3 PRO A 76 1.164 -8.034 3.581 1.00 0.00 H new ATOM 1182 N TRP A 77 -1.098 -3.770 5.962 1.00 0.00 N ATOM 1183 CA TRP A 77 -2.098 -3.012 6.710 1.00 0.00 C ATOM 1184 C TRP A 77 -2.207 -1.590 6.189 1.00 0.00 C ATOM 1185 O TRP A 77 -1.396 -0.726 6.521 1.00 0.00 O ATOM 1186 CB TRP A 77 -1.767 -2.994 8.209 1.00 0.00 C ATOM 1187 CG TRP A 77 -0.349 -3.368 8.529 1.00 0.00 C ATOM 1188 CD1 TRP A 77 0.168 -4.627 8.590 1.00 0.00 C ATOM 1189 CD2 TRP A 77 0.729 -2.474 8.835 1.00 0.00 C ATOM 1190 NE1 TRP A 77 1.504 -4.575 8.911 1.00 0.00 N ATOM 1191 CE2 TRP A 77 1.871 -3.264 9.067 1.00 0.00 C ATOM 1192 CE3 TRP A 77 0.840 -1.085 8.933 1.00 0.00 C ATOM 1193 CZ2 TRP A 77 3.108 -2.711 9.390 1.00 0.00 C ATOM 1194 CZ3 TRP A 77 2.068 -0.535 9.254 1.00 0.00 C ATOM 1195 CH2 TRP A 77 3.187 -1.348 9.478 1.00 0.00 C ATOM 0 H TRP A 77 -0.327 -3.208 5.601 1.00 0.00 H new ATOM 0 HA TRP A 77 -3.058 -3.509 6.570 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -1.966 -1.997 8.602 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -2.438 -3.680 8.726 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -0.390 -5.534 8.412 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.121 -5.380 9.016 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -0.018 -0.452 8.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 3.972 -3.335 9.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.166 0.538 9.333 1.00 0.00 H new ATOM 0 HH2 TRP A 77 4.133 -0.889 9.726 1.00 0.00 H new ATOM 1206 N CYS A 78 -3.225 -1.356 5.376 1.00 0.00 N ATOM 1207 CA CYS A 78 -3.461 -0.040 4.808 1.00 0.00 C ATOM 1208 C CYS A 78 -4.952 0.260 4.781 1.00 0.00 C ATOM 1209 O CYS A 78 -5.763 -0.539 5.249 1.00 0.00 O ATOM 1210 CB CYS A 78 -2.880 0.051 3.400 1.00 0.00 C ATOM 1211 SG CYS A 78 -3.107 -1.451 2.397 1.00 0.00 S ATOM 0 H CYS A 78 -3.903 -2.064 5.094 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.963 0.700 5.434 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.342 0.892 2.883 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.814 0.267 3.473 1.00 0.00 H new ATOM 1216 N TYR A 79 -5.310 1.413 4.237 1.00 0.00 N ATOM 1217 CA TYR A 79 -6.707 1.809 4.161 1.00 0.00 C ATOM 1218 C TYR A 79 -7.342 1.275 2.881 1.00 0.00 C ATOM 1219 O TYR A 79 -6.807 0.360 2.255 1.00 0.00 O ATOM 1220 CB TYR A 79 -6.825 3.331 4.240 1.00 0.00 C ATOM 1221 CG TYR A 79 -6.099 3.942 5.427 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -5.536 3.148 6.429 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.981 5.321 5.547 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -4.880 3.716 7.504 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -5.325 5.895 6.620 1.00 0.00 C ATOM 1226 CZ TYR A 79 -4.777 5.088 7.596 1.00 0.00 C ATOM 1227 OH TYR A 79 -4.124 5.657 8.666 1.00 0.00 O ATOM 0 H TYR A 79 -4.655 2.088 3.843 1.00 0.00 H new ATOM 0 HA TYR A 79 -7.244 1.380 5.007 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.429 3.765 3.322 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -7.879 3.602 4.292 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.615 2.073 6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -6.410 5.957 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -4.449 3.088 8.270 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.242 6.969 6.694 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.140 6.633 8.578 1.00 0.00 H new ATOM 1237 N THR A 80 -8.487 1.831 2.499 1.00 0.00 N ATOM 1238 CA THR A 80 -9.174 1.374 1.301 1.00 0.00 C ATOM 1239 C THR A 80 -9.904 2.513 0.602 1.00 0.00 C ATOM 1240 O THR A 80 -9.968 3.630 1.111 1.00 0.00 O ATOM 1241 CB THR A 80 -10.160 0.250 1.648 1.00 0.00 C ATOM 1242 OG1 THR A 80 -11.492 0.737 1.694 1.00 0.00 O ATOM 1243 CG2 THR A 80 -9.880 -0.417 2.979 1.00 0.00 C ATOM 0 H THR A 80 -8.953 2.590 2.996 1.00 0.00 H new ATOM 0 HA THR A 80 -8.419 0.991 0.615 1.00 0.00 H new ATOM 0 HB THR A 80 -10.031 -0.486 0.854 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.856 0.781 0.785 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.617 -1.200 3.156 1.00 0.00 H new ATOM 0 HG22 THR A 80 -8.882 -0.855 2.964 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.939 0.324 3.777 1.00 0.00 H new ATOM 1251 N MET A 81 -10.459 2.213 -0.567 1.00 0.00 N ATOM 1252 CA MET A 81 -11.195 3.200 -1.344 1.00 0.00 C ATOM 1253 C MET A 81 -12.673 3.190 -0.962 1.00 0.00 C ATOM 1254 O MET A 81 -13.551 3.178 -1.822 1.00 0.00 O ATOM 1255 CB MET A 81 -11.033 2.918 -2.842 1.00 0.00 C ATOM 1256 CG MET A 81 -11.611 4.001 -3.742 1.00 0.00 C ATOM 1257 SD MET A 81 -11.057 5.659 -3.295 1.00 0.00 S ATOM 1258 CE MET A 81 -9.743 5.910 -4.485 1.00 0.00 C ATOM 0 H MET A 81 -10.412 1.290 -0.998 1.00 0.00 H new ATOM 0 HA MET A 81 -10.789 4.187 -1.124 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.973 2.801 -3.067 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.515 1.969 -3.077 1.00 0.00 H new ATOM 0 HG2 MET A 81 -11.329 3.796 -4.775 1.00 0.00 H new ATOM 0 HG3 MET A 81 -12.699 3.962 -3.695 1.00 0.00 H new ATOM 0 HE1 MET A 81 -9.300 6.895 -4.336 1.00 0.00 H new ATOM 0 HE2 MET A 81 -8.979 5.144 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 81 -10.149 5.844 -5.494 1.00 0.00 H new ATOM 1268 N ASP A 82 -12.935 3.193 0.343 1.00 0.00 N ATOM 1269 CA ASP A 82 -14.299 3.184 0.851 1.00 0.00 C ATOM 1270 C ASP A 82 -14.450 4.183 1.995 1.00 0.00 C ATOM 1271 O ASP A 82 -13.547 4.333 2.818 1.00 0.00 O ATOM 1272 CB ASP A 82 -14.677 1.781 1.332 1.00 0.00 C ATOM 1273 CG ASP A 82 -15.004 0.844 0.185 1.00 0.00 C ATOM 1274 OD1 ASP A 82 -14.132 0.647 -0.687 1.00 0.00 O ATOM 1275 OD2 ASP A 82 -16.131 0.308 0.159 1.00 0.00 O ATOM 0 H ASP A 82 -12.217 3.202 1.067 1.00 0.00 H new ATOM 0 HA ASP A 82 -14.969 3.474 0.041 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -13.854 1.365 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.537 1.848 1.999 1.00 0.00 H new ATOM 1280 N PRO A 83 -15.594 4.884 2.065 1.00 0.00 N ATOM 1281 CA PRO A 83 -15.850 5.870 3.112 1.00 0.00 C ATOM 1282 C PRO A 83 -16.382 5.237 4.396 1.00 0.00 C ATOM 1283 O PRO A 83 -17.308 5.758 5.019 1.00 0.00 O ATOM 1284 CB PRO A 83 -16.910 6.762 2.475 1.00 0.00 C ATOM 1285 CG PRO A 83 -17.689 5.843 1.595 1.00 0.00 C ATOM 1286 CD PRO A 83 -16.727 4.778 1.125 1.00 0.00 C ATOM 0 HA PRO A 83 -14.945 6.396 3.418 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.547 7.224 3.230 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.457 7.571 1.902 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -18.523 5.399 2.139 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -18.113 6.383 0.749 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.181 3.788 1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -16.410 4.951 0.096 1.00 0.00 H new ATOM 1294 N SER A 84 -15.790 4.111 4.789 1.00 0.00 N ATOM 1295 CA SER A 84 -16.206 3.410 5.998 1.00 0.00 C ATOM 1296 C SER A 84 -15.106 2.472 6.492 1.00 0.00 C ATOM 1297 O SER A 84 -15.383 1.479 7.165 1.00 0.00 O ATOM 1298 CB SER A 84 -17.488 2.620 5.740 1.00 0.00 C ATOM 1299 OG SER A 84 -18.426 3.392 5.009 1.00 0.00 O ATOM 0 H SER A 84 -15.021 3.666 4.287 1.00 0.00 H new ATOM 0 HA SER A 84 -16.396 4.155 6.771 1.00 0.00 H new ATOM 0 HB2 SER A 84 -17.253 1.710 5.188 1.00 0.00 H new ATOM 0 HB3 SER A 84 -17.927 2.313 6.689 1.00 0.00 H new ATOM 0 HG SER A 84 -18.336 4.336 5.256 1.00 0.00 H new ATOM 1305 N VAL A 85 -13.860 2.792 6.156 1.00 0.00 N ATOM 1306 CA VAL A 85 -12.721 1.977 6.571 1.00 0.00 C ATOM 1307 C VAL A 85 -11.467 2.824 6.738 1.00 0.00 C ATOM 1308 O VAL A 85 -10.650 2.921 5.822 1.00 0.00 O ATOM 1309 CB VAL A 85 -12.413 0.845 5.566 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -13.062 -0.460 6.000 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -12.850 1.231 4.161 1.00 0.00 C ATOM 0 H VAL A 85 -13.613 3.609 5.598 1.00 0.00 H new ATOM 0 HA VAL A 85 -13.003 1.535 7.527 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.334 0.693 5.551 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.830 -1.240 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -12.680 -0.748 6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.142 -0.328 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.622 0.417 3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.923 1.423 4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.319 2.130 3.849 1.00 0.00 H new ATOM 1321 N ARG A 86 -11.304 3.418 7.914 1.00 0.00 N ATOM 1322 CA ARG A 86 -10.127 4.231 8.192 1.00 0.00 C ATOM 1323 C ARG A 86 -8.862 3.390 8.033 1.00 0.00 C ATOM 1324 O ARG A 86 -7.767 3.916 7.833 1.00 0.00 O ATOM 1325 CB ARG A 86 -10.200 4.816 9.605 1.00 0.00 C ATOM 1326 CG ARG A 86 -10.050 6.328 9.647 1.00 0.00 C ATOM 1327 CD ARG A 86 -9.293 6.781 10.885 1.00 0.00 C ATOM 1328 NE ARG A 86 -7.900 7.100 10.588 1.00 0.00 N ATOM 1329 CZ ARG A 86 -7.507 8.228 9.998 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -8.400 9.143 9.640 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -6.220 8.440 9.765 1.00 0.00 N ATOM 0 H ARG A 86 -11.968 3.353 8.686 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.096 5.055 7.479 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -11.155 4.542 10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.419 4.365 10.217 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.525 6.667 8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -11.036 6.793 9.632 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -9.783 7.657 11.309 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -9.332 5.997 11.641 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.186 6.420 10.847 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -9.392 8.984 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -8.094 10.005 9.189 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.530 7.740 10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.919 9.304 9.313 1.00 0.00 H new ATOM 1345 N TRP A 87 -9.036 2.073 8.117 1.00 0.00 N ATOM 1346 CA TRP A 87 -7.938 1.128 7.980 1.00 0.00 C ATOM 1347 C TRP A 87 -8.501 -0.263 7.693 1.00 0.00 C ATOM 1348 O TRP A 87 -9.646 -0.556 8.041 1.00 0.00 O ATOM 1349 CB TRP A 87 -7.066 1.146 9.248 1.00 0.00 C ATOM 1350 CG TRP A 87 -6.951 -0.172 9.956 1.00 0.00 C ATOM 1351 CD1 TRP A 87 -7.971 -0.945 10.434 1.00 0.00 C ATOM 1352 CD2 TRP A 87 -5.741 -0.864 10.272 1.00 0.00 C ATOM 1353 NE1 TRP A 87 -7.467 -2.080 11.017 1.00 0.00 N ATOM 1354 CE2 TRP A 87 -6.099 -2.052 10.933 1.00 0.00 C ATOM 1355 CE3 TRP A 87 -4.387 -0.595 10.058 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 -5.155 -2.967 11.378 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 -3.448 -1.505 10.504 1.00 0.00 C ATOM 1358 CH2 TRP A 87 -3.836 -2.680 11.157 1.00 0.00 C ATOM 0 H TRP A 87 -9.942 1.635 8.282 1.00 0.00 H new ATOM 0 HA TRP A 87 -7.300 1.414 7.143 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -6.066 1.485 8.978 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -7.475 1.880 9.942 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -9.020 -0.699 10.363 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -8.020 -2.823 11.443 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.080 0.309 9.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -5.452 -3.875 11.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -2.398 -1.306 10.346 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -3.080 -3.374 11.493 1.00 0.00 H new ATOM 1369 N GLU A 88 -7.709 -1.117 7.056 1.00 0.00 N ATOM 1370 CA GLU A 88 -8.165 -2.463 6.734 1.00 0.00 C ATOM 1371 C GLU A 88 -6.998 -3.391 6.427 1.00 0.00 C ATOM 1372 O GLU A 88 -5.880 -2.944 6.176 1.00 0.00 O ATOM 1373 CB GLU A 88 -9.126 -2.431 5.545 1.00 0.00 C ATOM 1374 CG GLU A 88 -10.538 -2.871 5.891 1.00 0.00 C ATOM 1375 CD GLU A 88 -10.721 -4.375 5.803 1.00 0.00 C ATOM 1376 OE1 GLU A 88 -9.707 -5.090 5.659 1.00 0.00 O ATOM 1377 OE2 GLU A 88 -11.879 -4.837 5.879 1.00 0.00 O ATOM 0 H GLU A 88 -6.758 -0.905 6.755 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.686 -2.850 7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.159 -1.419 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.737 -3.075 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.781 -2.538 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.242 -2.383 5.216 1.00 0.00 H new ATOM 1384 N TYR A 89 -7.278 -4.687 6.444 1.00 0.00 N ATOM 1385 CA TYR A 89 -6.261 -5.693 6.162 1.00 0.00 C ATOM 1386 C TYR A 89 -6.241 -6.071 4.686 1.00 0.00 C ATOM 1387 O TYR A 89 -7.000 -5.530 3.884 1.00 0.00 O ATOM 1388 CB TYR A 89 -6.490 -6.932 7.024 1.00 0.00 C ATOM 1389 CG TYR A 89 -6.137 -6.704 8.469 1.00 0.00 C ATOM 1390 CD1 TYR A 89 -6.855 -5.802 9.237 1.00 0.00 C ATOM 1391 CD2 TYR A 89 -5.077 -7.377 9.061 1.00 0.00 C ATOM 1392 CE1 TYR A 89 -6.531 -5.574 10.557 1.00 0.00 C ATOM 1393 CE2 TYR A 89 -4.744 -7.158 10.383 1.00 0.00 C ATOM 1394 CZ TYR A 89 -5.475 -6.254 11.128 1.00 0.00 C ATOM 1395 OH TYR A 89 -5.149 -6.030 12.447 1.00 0.00 O ATOM 0 H TYR A 89 -8.202 -5.068 6.650 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.290 -5.263 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.535 -7.232 6.952 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.894 -7.757 6.634 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.683 -5.268 8.794 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.504 -8.083 8.478 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.101 -4.867 11.141 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.918 -7.690 10.831 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.383 -6.589 12.694 1.00 0.00 H new ATOM 1405 N CYS A 90 -5.369 -7.014 4.342 1.00 0.00 N ATOM 1406 CA CYS A 90 -5.242 -7.484 2.968 1.00 0.00 C ATOM 1407 C CYS A 90 -5.477 -8.991 2.898 1.00 0.00 C ATOM 1408 O CYS A 90 -5.123 -9.722 3.823 1.00 0.00 O ATOM 1409 CB CYS A 90 -3.850 -7.157 2.425 1.00 0.00 C ATOM 1410 SG CYS A 90 -3.656 -5.444 1.831 1.00 0.00 S ATOM 0 H CYS A 90 -4.737 -7.469 5.001 1.00 0.00 H new ATOM 0 HA CYS A 90 -5.992 -6.978 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -3.115 -7.342 3.208 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.623 -7.840 1.607 1.00 0.00 H new ATOM 1415 N ASN A 91 -6.066 -9.457 1.798 1.00 0.00 N ATOM 1416 CA ASN A 91 -6.329 -10.884 1.627 1.00 0.00 C ATOM 1417 C ASN A 91 -5.044 -11.688 1.810 1.00 0.00 C ATOM 1418 O ASN A 91 -4.258 -11.848 0.877 1.00 0.00 O ATOM 1419 CB ASN A 91 -6.941 -11.167 0.256 1.00 0.00 C ATOM 1420 CG ASN A 91 -6.291 -10.363 -0.850 1.00 0.00 C ATOM 1421 OD1 ASN A 91 -6.832 -9.353 -1.300 1.00 0.00 O ATOM 1422 ND2 ASN A 91 -5.125 -10.808 -1.291 1.00 0.00 N ATOM 0 H ASN A 91 -6.368 -8.873 1.018 1.00 0.00 H new ATOM 0 HA ASN A 91 -7.046 -11.190 2.389 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -6.845 -12.229 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.007 -10.942 0.285 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.637 -10.309 -2.034 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -4.715 -11.650 -0.887 1.00 0.00 H new ATOM 1429 N LEU A 92 -4.836 -12.175 3.028 1.00 0.00 N ATOM 1430 CA LEU A 92 -3.652 -12.940 3.366 1.00 0.00 C ATOM 1431 C LEU A 92 -3.891 -13.788 4.615 1.00 0.00 C ATOM 1432 O LEU A 92 -4.141 -13.262 5.699 1.00 0.00 O ATOM 1433 CB LEU A 92 -2.473 -11.992 3.600 1.00 0.00 C ATOM 1434 CG LEU A 92 -1.630 -11.688 2.358 1.00 0.00 C ATOM 1435 CD1 LEU A 92 -2.138 -10.441 1.647 1.00 0.00 C ATOM 1436 CD2 LEU A 92 -0.166 -11.526 2.732 1.00 0.00 C ATOM 0 H LEU A 92 -5.485 -12.048 3.805 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.423 -13.608 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.855 -11.053 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.825 -12.423 4.363 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.722 -12.531 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.523 -10.247 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.172 -10.594 1.339 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.083 -9.588 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.417 -11.311 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.060 -10.704 3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.197 -12.447 3.188 1.00 0.00 H new ATOM 1448 N THR A 93 -3.792 -15.097 4.449 1.00 0.00 N ATOM 1449 CA THR A 93 -3.975 -16.043 5.545 1.00 0.00 C ATOM 1450 C THR A 93 -3.005 -17.204 5.400 1.00 0.00 C ATOM 1451 O THR A 93 -2.476 -17.450 4.319 1.00 0.00 O ATOM 1452 CB THR A 93 -5.412 -16.572 5.601 1.00 0.00 C ATOM 1453 OG1 THR A 93 -5.758 -17.249 4.408 1.00 0.00 O ATOM 1454 CG2 THR A 93 -6.436 -15.486 5.831 1.00 0.00 C ATOM 0 H THR A 93 -3.583 -15.536 3.553 1.00 0.00 H new ATOM 0 HA THR A 93 -3.775 -15.513 6.476 1.00 0.00 H new ATOM 0 HB THR A 93 -5.430 -17.255 6.450 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.439 -16.735 3.926 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.433 -15.926 5.860 1.00 0.00 H new ATOM 0 HG22 THR A 93 -6.231 -14.988 6.779 1.00 0.00 H new ATOM 0 HG23 THR A 93 -6.384 -14.759 5.020 1.00 0.00 H new ATOM 1462 N ARG A 94 -2.766 -17.912 6.488 1.00 0.00 N ATOM 1463 CA ARG A 94 -1.847 -19.036 6.462 1.00 0.00 C ATOM 1464 C ARG A 94 -2.341 -20.120 5.506 1.00 0.00 C ATOM 1465 O ARG A 94 -3.365 -20.759 5.749 1.00 0.00 O ATOM 1466 CB ARG A 94 -1.689 -19.597 7.870 1.00 0.00 C ATOM 1467 CG ARG A 94 -0.445 -19.093 8.579 1.00 0.00 C ATOM 1468 CD ARG A 94 -0.393 -19.567 10.023 1.00 0.00 C ATOM 1469 NE ARG A 94 -0.065 -20.987 10.121 1.00 0.00 N ATOM 1470 CZ ARG A 94 0.259 -21.597 11.259 1.00 0.00 C ATOM 1471 NH1 ARG A 94 0.301 -20.915 12.397 1.00 0.00 N ATOM 1472 NH2 ARG A 94 0.542 -22.892 11.260 1.00 0.00 N ATOM 0 H ARG A 94 -3.193 -17.731 7.397 1.00 0.00 H new ATOM 0 HA ARG A 94 -0.878 -18.691 6.103 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.567 -19.334 8.460 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.654 -20.685 7.819 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.442 -19.440 8.049 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.426 -18.003 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.349 -18.985 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.356 -19.384 10.500 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.085 -21.544 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.084 -19.918 12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.550 -21.388 13.266 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.512 -23.421 10.389 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.790 -23.359 12.132 1.00 0.00 H new ATOM 1486 N CYS A 95 -1.600 -20.316 4.418 1.00 0.00 N ATOM 1487 CA CYS A 95 -1.951 -21.317 3.415 1.00 0.00 C ATOM 1488 C CYS A 95 -1.301 -22.662 3.740 1.00 0.00 C ATOM 1489 O CYS A 95 -0.139 -22.714 4.142 1.00 0.00 O ATOM 1490 CB CYS A 95 -1.511 -20.846 2.026 1.00 0.00 C ATOM 1491 SG CYS A 95 -2.730 -21.161 0.706 1.00 0.00 S ATOM 0 H CYS A 95 -0.750 -19.793 4.209 1.00 0.00 H new ATOM 0 HA CYS A 95 -3.033 -21.446 3.423 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.305 -19.776 2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.576 -21.342 1.766 1.00 0.00 H new ATOM 1496 N PRO A 96 -2.040 -23.773 3.567 1.00 0.00 N ATOM 1497 CA PRO A 96 -1.517 -25.116 3.844 1.00 0.00 C ATOM 1498 C PRO A 96 -0.360 -25.482 2.920 1.00 0.00 C ATOM 1499 O PRO A 96 -0.314 -25.054 1.767 1.00 0.00 O ATOM 1500 CB PRO A 96 -2.717 -26.035 3.591 1.00 0.00 C ATOM 1501 CG PRO A 96 -3.621 -25.251 2.701 1.00 0.00 C ATOM 1502 CD PRO A 96 -3.433 -23.812 3.089 1.00 0.00 C ATOM 0 HA PRO A 96 -1.116 -25.195 4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.408 -26.967 3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.214 -26.301 4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.370 -25.409 1.652 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.659 -25.558 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.587 -23.143 2.242 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.134 -23.509 3.867 1.00 0.00 H new ATOM 1510 N VAL A 97 0.575 -26.274 3.434 1.00 0.00 N ATOM 1511 CA VAL A 97 1.732 -26.695 2.653 1.00 0.00 C ATOM 1512 C VAL A 97 1.505 -28.065 2.012 1.00 0.00 C ATOM 1513 O VAL A 97 2.458 -28.760 1.661 1.00 0.00 O ATOM 1514 CB VAL A 97 3.006 -26.742 3.523 1.00 0.00 C ATOM 1515 CG1 VAL A 97 2.885 -27.810 4.600 1.00 0.00 C ATOM 1516 CG2 VAL A 97 4.236 -26.979 2.659 1.00 0.00 C ATOM 0 H VAL A 97 0.554 -26.637 4.387 1.00 0.00 H new ATOM 0 HA VAL A 97 1.867 -25.955 1.864 1.00 0.00 H new ATOM 0 HB VAL A 97 3.119 -25.777 4.017 1.00 0.00 H new ATOM 0 HG11 VAL A 97 3.794 -27.825 5.201 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.031 -27.587 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.743 -28.784 4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.124 -27.009 3.290 1.00 0.00 H new ATOM 0 HG22 VAL A 97 4.133 -27.928 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.333 -26.170 1.935 1.00 0.00 H new ATOM 1526 N THR A 98 0.239 -28.445 1.861 1.00 0.00 N ATOM 1527 CA THR A 98 -0.111 -29.728 1.259 1.00 0.00 C ATOM 1528 C THR A 98 0.311 -30.887 2.159 1.00 0.00 C ATOM 1529 O THR A 98 -0.532 -31.574 2.736 1.00 0.00 O ATOM 1530 CB THR A 98 0.540 -29.871 -0.119 1.00 0.00 C ATOM 1531 OG1 THR A 98 0.943 -28.607 -0.617 1.00 0.00 O ATOM 1532 CG2 THR A 98 -0.372 -30.500 -1.149 1.00 0.00 C ATOM 0 H THR A 98 -0.562 -27.882 2.148 1.00 0.00 H new ATOM 0 HA THR A 98 -1.194 -29.758 1.142 1.00 0.00 H new ATOM 0 HB THR A 98 1.397 -30.527 0.033 1.00 0.00 H new ATOM 0 HG1 THR A 98 1.358 -28.720 -1.498 1.00 0.00 H new ATOM 0 HG21 THR A 98 0.151 -30.572 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 98 -0.662 -31.497 -0.818 1.00 0.00 H new ATOM 0 HG23 THR A 98 -1.264 -29.885 -1.270 1.00 0.00 H new ATOM 1540 N GLU A 99 1.619 -31.098 2.272 1.00 0.00 N ATOM 1541 CA GLU A 99 2.159 -32.173 3.099 1.00 0.00 C ATOM 1542 C GLU A 99 1.835 -33.538 2.497 1.00 0.00 C ATOM 1543 O GLU A 99 2.726 -34.243 2.024 1.00 0.00 O ATOM 1544 CB GLU A 99 1.604 -32.084 4.524 1.00 0.00 C ATOM 1545 CG GLU A 99 1.694 -30.692 5.125 1.00 0.00 C ATOM 1546 CD GLU A 99 1.016 -30.596 6.478 1.00 0.00 C ATOM 1547 OE1 GLU A 99 -0.193 -30.901 6.559 1.00 0.00 O ATOM 1548 OE2 GLU A 99 1.692 -30.215 7.456 1.00 0.00 O ATOM 0 H GLU A 99 2.327 -30.536 1.799 1.00 0.00 H new ATOM 0 HA GLU A 99 3.242 -32.059 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 99 0.561 -32.402 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 99 2.148 -32.782 5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.742 -30.412 5.227 1.00 0.00 H new ATOM 0 HG3 GLU A 99 1.238 -29.975 4.442 1.00 0.00 H new ATOM 1555 N SER A 100 0.557 -33.903 2.517 1.00 0.00 N ATOM 1556 CA SER A 100 0.118 -35.185 1.972 1.00 0.00 C ATOM 1557 C SER A 100 0.865 -36.343 2.625 1.00 0.00 C ATOM 1558 O SER A 100 1.093 -37.379 2.002 1.00 0.00 O ATOM 1559 CB SER A 100 0.332 -35.216 0.457 1.00 0.00 C ATOM 1560 OG SER A 100 -0.178 -34.044 -0.155 1.00 0.00 O ATOM 0 H SER A 100 -0.193 -33.330 2.904 1.00 0.00 H new ATOM 0 HA SER A 100 -0.945 -35.297 2.187 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.396 -35.310 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 100 -0.159 -36.093 0.035 1.00 0.00 H new ATOM 0 HG SER A 100 -0.027 -34.088 -1.122 1.00 0.00 H new ATOM 1566 N SER A 101 1.242 -36.162 3.888 1.00 0.00 N ATOM 1567 CA SER A 101 1.962 -37.192 4.627 1.00 0.00 C ATOM 1568 C SER A 101 2.209 -36.756 6.068 1.00 0.00 C ATOM 1569 O SER A 101 1.752 -35.695 6.493 1.00 0.00 O ATOM 1570 CB SER A 101 3.293 -37.504 3.940 1.00 0.00 C ATOM 1571 OG SER A 101 3.766 -36.384 3.209 1.00 0.00 O ATOM 0 H SER A 101 1.060 -35.311 4.420 1.00 0.00 H new ATOM 0 HA SER A 101 1.348 -38.092 4.640 1.00 0.00 H new ATOM 0 HB2 SER A 101 4.032 -37.793 4.687 1.00 0.00 H new ATOM 0 HB3 SER A 101 3.169 -38.354 3.269 1.00 0.00 H new ATOM 0 HG SER A 101 4.618 -36.609 2.781 1.00 0.00 H new ATOM 1577 N VAL A 102 2.934 -37.583 6.814 1.00 0.00 N ATOM 1578 CA VAL A 102 3.242 -37.284 8.206 1.00 0.00 C ATOM 1579 C VAL A 102 4.604 -37.844 8.601 1.00 0.00 C ATOM 1580 O VAL A 102 4.910 -38.988 8.202 1.00 0.00 O ATOM 1581 CB VAL A 102 2.172 -37.855 9.154 1.00 0.00 C ATOM 1582 CG1 VAL A 102 0.888 -37.045 9.062 1.00 0.00 C ATOM 1583 CG2 VAL A 102 1.910 -39.322 8.841 1.00 0.00 C ATOM 1584 OXT VAL A 102 5.354 -37.134 9.304 1.00 0.00 O ATOM 0 H VAL A 102 3.319 -38.465 6.477 1.00 0.00 H new ATOM 0 HA VAL A 102 3.257 -36.198 8.299 1.00 0.00 H new ATOM 0 HB VAL A 102 2.544 -37.786 10.176 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.144 -37.464 9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.090 -36.010 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.509 -37.079 8.041 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.151 -39.709 9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.560 -39.418 7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.832 -39.891 8.964 1.00 0.00 H new TER 1594 VAL A 102