USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 694 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 66 CYS SG : rot 180:sc= -0.292 USER MOD Set 1.2: A 67 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.616 K(o=0.73,f=-2!) USER MOD Set 2.2: A 83 SER OG : rot -115:sc= 0.111 USER MOD Set 3.1: A 33 ASN : amide:sc= -0.119 K(o=-1.2,f=-5.2!) USER MOD Set 3.2: A 37 THR OG1 : rot 66:sc= 1.24 USER MOD Set 3.3: A 40 GLN : amide:sc= -2.6! K(o=-1.2!,f=-2) USER MOD Set 3.4: A 57 ASN : amide:sc= 0.293 K(o=-1.2,f=-8.2!) USER MOD Set 4.1: A 15 CYS SG : rot 76:sc= 1.04 USER MOD Set 4.2: A 38 TYR OH : rot 11:sc= 0.227 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0479 (180deg=-0.399) USER MOD Single : A 1 MET N :NH3+ -140:sc= 1.38 (180deg=-0.0926) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0281) USER MOD Single : A 8 LYS NZ :NH3+ -131:sc= 1.82 (180deg=-0.498) USER MOD Single : A 10 ASN : amide:sc= 0.0154 K(o=0.015,f=-0.87) USER MOD Single : A 12 LYS NZ :NH3+ 168:sc=-0.00986 (180deg=-0.207) USER MOD Single : A 13 MET CE :methyl -118:sc= 0 (180deg=-1.12) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0.109 X(o=0.11,f=-0.27) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -85:sc= 1.53 USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.773) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc=-0.00122 (180deg=-0.0717) USER MOD Single : A 50 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0.739 (180deg=0.739) USER MOD Single : A 54 THR OG1 : rot -30:sc= 0.185 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN :FLIP amide:sc=-0.00375 F(o=-1.6,f=-0.0038) USER MOD Single : A 65 ASN : amide:sc= -0.436 X(o=-0.44,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 73 TYR OH : rot 160:sc= 1.18 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -24:sc= 0.00313 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 THR OG1 : rot 163:sc= 0.0824 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.610 12.098 -7.320 1.00 0.00 N ATOM 2 CA MET A 1 22.165 11.794 -7.161 1.00 0.00 C ATOM 3 C MET A 1 21.859 10.329 -7.576 1.00 0.00 C ATOM 4 O MET A 1 22.784 9.542 -7.804 1.00 0.00 O ATOM 5 CB MET A 1 21.309 12.824 -7.960 1.00 0.00 C ATOM 6 CG MET A 1 21.571 12.863 -9.475 1.00 0.00 C ATOM 7 SD MET A 1 23.186 13.555 -9.912 1.00 0.00 S ATOM 8 CE MET A 1 23.013 15.265 -9.385 1.00 0.00 C ATOM 0 H1 MET A 1 23.933 12.679 -6.520 1.00 0.00 H new ATOM 0 H2 MET A 1 24.151 11.210 -7.344 1.00 0.00 H new ATOM 0 H3 MET A 1 23.760 12.618 -8.208 1.00 0.00 H new ATOM 0 HA MET A 1 21.896 11.887 -6.109 1.00 0.00 H new ATOM 0 HB2 MET A 1 20.255 12.600 -7.796 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.491 13.818 -7.551 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.498 11.851 -9.874 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.790 13.452 -9.956 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.789 15.870 -9.854 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.033 15.639 -9.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 23.112 15.324 -8.301 1.00 0.00 H new ATOM 20 N LYS A 2 20.555 9.973 -7.660 1.00 0.00 N ATOM 21 CA LYS A 2 20.095 8.595 -7.946 1.00 0.00 C ATOM 22 C LYS A 2 20.275 8.279 -9.447 1.00 0.00 C ATOM 23 O LYS A 2 19.405 8.602 -10.270 1.00 0.00 O ATOM 24 CB LYS A 2 18.606 8.423 -7.506 1.00 0.00 C ATOM 25 CG LYS A 2 18.339 8.598 -5.992 1.00 0.00 C ATOM 26 CD LYS A 2 19.107 7.577 -5.115 1.00 0.00 C ATOM 27 CE LYS A 2 18.791 7.730 -3.613 1.00 0.00 C ATOM 28 NZ LYS A 2 19.527 6.747 -2.774 1.00 0.00 N ATOM 0 H LYS A 2 19.791 10.636 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 2 20.698 7.888 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.998 9.145 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.268 7.431 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.621 9.608 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 2 17.270 8.497 -5.804 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.854 6.566 -5.435 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.178 7.702 -5.272 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.046 8.740 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.719 7.607 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.281 6.891 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.265 5.782 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.551 6.880 -2.901 1.00 0.00 H new ATOM 42 N ASP A 3 21.437 7.692 -9.801 1.00 0.00 N ATOM 43 CA ASP A 3 21.843 7.483 -11.209 1.00 0.00 C ATOM 44 C ASP A 3 21.624 6.032 -11.677 1.00 0.00 C ATOM 45 O ASP A 3 21.134 5.793 -12.792 1.00 0.00 O ATOM 46 CB ASP A 3 23.330 7.869 -11.391 1.00 0.00 C ATOM 47 CG ASP A 3 23.816 7.720 -12.848 1.00 0.00 C ATOM 48 OD1 ASP A 3 23.506 8.607 -13.676 1.00 0.00 O ATOM 49 OD2 ASP A 3 24.490 6.715 -13.176 1.00 0.00 O ATOM 0 H ASP A 3 22.118 7.350 -9.123 1.00 0.00 H new ATOM 0 HA ASP A 3 21.211 8.123 -11.824 1.00 0.00 H new ATOM 0 HB2 ASP A 3 23.474 8.900 -11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 3 23.944 7.244 -10.743 1.00 0.00 H new ATOM 54 N SER A 4 22.027 5.076 -10.829 1.00 0.00 N ATOM 55 CA SER A 4 22.031 3.646 -11.187 1.00 0.00 C ATOM 56 C SER A 4 20.601 3.119 -11.408 1.00 0.00 C ATOM 57 O SER A 4 20.321 2.466 -12.412 1.00 0.00 O ATOM 58 CB SER A 4 22.769 2.834 -10.105 1.00 0.00 C ATOM 59 OG SER A 4 24.088 3.328 -9.912 1.00 0.00 O ATOM 0 H SER A 4 22.357 5.267 -9.883 1.00 0.00 H new ATOM 0 HA SER A 4 22.564 3.527 -12.131 1.00 0.00 H new ATOM 0 HB2 SER A 4 22.217 2.884 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 4 22.808 1.784 -10.396 1.00 0.00 H new ATOM 0 HG SER A 4 24.537 2.799 -9.220 1.00 0.00 H new ATOM 65 N ASP A 5 19.695 3.475 -10.487 1.00 0.00 N ATOM 66 CA ASP A 5 18.263 3.098 -10.553 1.00 0.00 C ATOM 67 C ASP A 5 17.501 3.886 -11.640 1.00 0.00 C ATOM 68 O ASP A 5 16.377 3.522 -11.982 1.00 0.00 O ATOM 69 CB ASP A 5 17.591 3.338 -9.181 1.00 0.00 C ATOM 70 CG ASP A 5 17.712 4.800 -8.724 1.00 0.00 C ATOM 71 OD1 ASP A 5 18.781 5.168 -8.199 1.00 0.00 O ATOM 72 OD2 ASP A 5 16.752 5.585 -8.901 1.00 0.00 O ATOM 0 H ASP A 5 19.929 4.036 -9.668 1.00 0.00 H new ATOM 0 HA ASP A 5 18.219 2.041 -10.815 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.538 3.064 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 5 18.048 2.687 -8.436 1.00 0.00 H new ATOM 77 N LYS A 6 18.103 4.980 -12.143 1.00 0.00 N ATOM 78 CA LYS A 6 17.506 5.809 -13.212 1.00 0.00 C ATOM 79 C LYS A 6 17.425 5.008 -14.526 1.00 0.00 C ATOM 80 O LYS A 6 16.383 4.973 -15.191 1.00 0.00 O ATOM 81 CB LYS A 6 18.338 7.102 -13.418 1.00 0.00 C ATOM 82 CG LYS A 6 17.782 8.078 -14.479 1.00 0.00 C ATOM 83 CD LYS A 6 18.800 9.173 -14.879 1.00 0.00 C ATOM 84 CE LYS A 6 18.273 10.082 -16.002 1.00 0.00 C ATOM 85 NZ LYS A 6 17.054 10.832 -15.586 1.00 0.00 N ATOM 0 H LYS A 6 19.012 5.314 -11.823 1.00 0.00 H new ATOM 0 HA LYS A 6 16.496 6.090 -12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.407 7.627 -12.465 1.00 0.00 H new ATOM 0 HB3 LYS A 6 19.352 6.821 -13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.492 7.516 -15.367 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.879 8.551 -14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 6 19.038 9.780 -14.006 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.728 8.702 -15.202 1.00 0.00 H new ATOM 0 HE2 LYS A 6 19.051 10.787 -16.293 1.00 0.00 H new ATOM 0 HE3 LYS A 6 18.045 9.478 -16.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.770 11.483 -16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.281 10.162 -15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 17.258 11.376 -14.723 1.00 0.00 H new ATOM 99 N GLU A 7 18.556 4.376 -14.883 1.00 0.00 N ATOM 100 CA GLU A 7 18.657 3.498 -16.070 1.00 0.00 C ATOM 101 C GLU A 7 18.118 2.087 -15.748 1.00 0.00 C ATOM 102 O GLU A 7 17.510 1.436 -16.604 1.00 0.00 O ATOM 103 CB GLU A 7 20.127 3.471 -16.592 1.00 0.00 C ATOM 104 CG GLU A 7 21.203 3.222 -15.513 1.00 0.00 C ATOM 105 CD GLU A 7 22.641 3.308 -16.050 1.00 0.00 C ATOM 106 OE1 GLU A 7 23.225 4.414 -16.051 1.00 0.00 O ATOM 107 OE2 GLU A 7 23.190 2.271 -16.483 1.00 0.00 O ATOM 0 H GLU A 7 19.428 4.457 -14.360 1.00 0.00 H new ATOM 0 HA GLU A 7 18.035 3.898 -16.871 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.211 2.695 -17.353 1.00 0.00 H new ATOM 0 HB3 GLU A 7 20.339 4.421 -17.082 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.078 3.951 -14.712 1.00 0.00 H new ATOM 0 HG3 GLU A 7 21.046 2.237 -15.075 1.00 0.00 H new ATOM 114 N LYS A 8 18.305 1.643 -14.489 1.00 0.00 N ATOM 115 CA LYS A 8 17.801 0.334 -13.997 1.00 0.00 C ATOM 116 C LYS A 8 16.337 0.438 -13.485 1.00 0.00 C ATOM 117 O LYS A 8 15.906 -0.399 -12.681 1.00 0.00 O ATOM 118 CB LYS A 8 18.745 -0.221 -12.867 1.00 0.00 C ATOM 119 CG LYS A 8 19.973 -1.080 -13.311 1.00 0.00 C ATOM 120 CD LYS A 8 20.954 -0.389 -14.307 1.00 0.00 C ATOM 121 CE LYS A 8 20.680 -0.763 -15.776 1.00 0.00 C ATOM 122 NZ LYS A 8 21.591 -0.076 -16.722 1.00 0.00 N ATOM 0 H LYS A 8 18.809 2.177 -13.781 1.00 0.00 H new ATOM 0 HA LYS A 8 17.804 -0.362 -14.836 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.118 0.627 -12.293 1.00 0.00 H new ATOM 0 HB3 LYS A 8 18.140 -0.823 -12.189 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.532 -1.370 -12.421 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.605 -1.998 -13.769 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.878 0.692 -14.193 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.977 -0.665 -14.052 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.783 -1.841 -15.897 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.649 -0.512 -16.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.036 0.352 -17.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.117 0.667 -16.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.261 -0.764 -17.121 1.00 0.00 H new ATOM 136 N GLU A 9 15.567 1.439 -13.956 1.00 0.00 N ATOM 137 CA GLU A 9 14.150 1.615 -13.560 1.00 0.00 C ATOM 138 C GLU A 9 13.240 0.629 -14.323 1.00 0.00 C ATOM 139 O GLU A 9 13.509 0.293 -15.489 1.00 0.00 O ATOM 140 CB GLU A 9 13.685 3.084 -13.801 1.00 0.00 C ATOM 141 CG GLU A 9 12.236 3.391 -13.341 1.00 0.00 C ATOM 142 CD GLU A 9 11.811 4.856 -13.538 1.00 0.00 C ATOM 143 OE1 GLU A 9 11.634 5.283 -14.702 1.00 0.00 O ATOM 144 OE2 GLU A 9 11.638 5.588 -12.531 1.00 0.00 O ATOM 0 H GLU A 9 15.902 2.142 -14.614 1.00 0.00 H new ATOM 0 HA GLU A 9 14.070 1.401 -12.494 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.367 3.756 -13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.769 3.307 -14.865 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.548 2.748 -13.890 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.139 3.135 -12.286 1.00 0.00 H new ATOM 151 N ASN A 10 12.167 0.179 -13.641 1.00 0.00 N ATOM 152 CA ASN A 10 11.128 -0.691 -14.231 1.00 0.00 C ATOM 153 C ASN A 10 10.355 0.085 -15.324 1.00 0.00 C ATOM 154 O ASN A 10 10.133 1.291 -15.196 1.00 0.00 O ATOM 155 CB ASN A 10 10.163 -1.195 -13.121 1.00 0.00 C ATOM 156 CG ASN A 10 9.094 -2.176 -13.621 1.00 0.00 C ATOM 157 OD1 ASN A 10 9.319 -2.933 -14.573 1.00 0.00 O ATOM 158 ND2 ASN A 10 7.924 -2.160 -12.991 1.00 0.00 N ATOM 0 H ASN A 10 11.996 0.409 -12.662 1.00 0.00 H new ATOM 0 HA ASN A 10 11.601 -1.559 -14.692 1.00 0.00 H new ATOM 0 HB2 ASN A 10 10.747 -1.678 -12.338 1.00 0.00 H new ATOM 0 HB3 ASN A 10 9.669 -0.336 -12.666 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.176 -2.786 -13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.774 -1.522 -12.209 1.00 0.00 H new ATOM 165 N GLY A 11 9.937 -0.627 -16.377 1.00 0.00 N ATOM 166 CA GLY A 11 9.406 -0.007 -17.603 1.00 0.00 C ATOM 167 C GLY A 11 10.298 -0.321 -18.797 1.00 0.00 C ATOM 168 O GLY A 11 10.480 0.507 -19.704 1.00 0.00 O ATOM 0 H GLY A 11 9.956 -1.646 -16.406 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.396 -0.371 -17.792 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.336 1.073 -17.469 1.00 0.00 H new ATOM 172 N LYS A 12 10.870 -1.540 -18.767 1.00 0.00 N ATOM 173 CA LYS A 12 11.727 -2.085 -19.830 1.00 0.00 C ATOM 174 C LYS A 12 10.902 -2.339 -21.117 1.00 0.00 C ATOM 175 O LYS A 12 10.347 -3.429 -21.330 1.00 0.00 O ATOM 176 CB LYS A 12 12.425 -3.384 -19.311 1.00 0.00 C ATOM 177 CG LYS A 12 11.459 -4.402 -18.655 1.00 0.00 C ATOM 178 CD LYS A 12 12.151 -5.645 -18.082 1.00 0.00 C ATOM 179 CE LYS A 12 11.157 -6.588 -17.379 1.00 0.00 C ATOM 180 NZ LYS A 12 10.068 -7.051 -18.276 1.00 0.00 N ATOM 0 H LYS A 12 10.745 -2.184 -17.986 1.00 0.00 H new ATOM 0 HA LYS A 12 12.501 -1.363 -20.090 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.934 -3.868 -20.144 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.191 -3.107 -18.587 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.912 -3.903 -17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.724 -4.718 -19.395 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.654 -6.183 -18.886 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.921 -5.337 -17.374 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.696 -7.453 -16.993 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.721 -6.075 -16.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.552 -7.831 -17.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.414 -6.264 -18.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.475 -7.383 -19.174 1.00 0.00 H new ATOM 194 N MET A 13 10.785 -1.291 -21.948 1.00 0.00 N ATOM 195 CA MET A 13 10.019 -1.352 -23.207 1.00 0.00 C ATOM 196 C MET A 13 10.859 -2.055 -24.283 1.00 0.00 C ATOM 197 O MET A 13 12.088 -2.113 -24.165 1.00 0.00 O ATOM 198 CB MET A 13 9.612 0.086 -23.676 1.00 0.00 C ATOM 199 CG MET A 13 10.679 0.844 -24.494 1.00 0.00 C ATOM 200 SD MET A 13 12.280 0.964 -23.655 1.00 0.00 S ATOM 201 CE MET A 13 13.376 1.322 -25.035 1.00 0.00 C ATOM 0 H MET A 13 11.215 -0.383 -21.770 1.00 0.00 H new ATOM 0 HA MET A 13 9.104 -1.921 -23.041 1.00 0.00 H new ATOM 0 HB2 MET A 13 8.705 0.011 -24.276 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.364 0.680 -22.796 1.00 0.00 H new ATOM 0 HG2 MET A 13 10.816 0.342 -25.452 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.314 1.848 -24.710 1.00 0.00 H new ATOM 0 HE1 MET A 13 14.106 0.519 -25.138 1.00 0.00 H new ATOM 0 HE2 MET A 13 12.792 1.401 -25.952 1.00 0.00 H new ATOM 0 HE3 MET A 13 13.895 2.263 -24.853 1.00 0.00 H new ATOM 211 N GLY A 14 10.186 -2.588 -25.310 1.00 0.00 N ATOM 212 CA GLY A 14 10.865 -3.110 -26.488 1.00 0.00 C ATOM 213 C GLY A 14 11.714 -4.344 -26.212 1.00 0.00 C ATOM 214 O GLY A 14 12.886 -4.402 -26.586 1.00 0.00 O ATOM 0 H GLY A 14 9.170 -2.666 -25.343 1.00 0.00 H new ATOM 0 HA2 GLY A 14 10.121 -3.355 -27.246 1.00 0.00 H new ATOM 0 HA3 GLY A 14 11.501 -2.329 -26.905 1.00 0.00 H new ATOM 218 N CYS A 15 11.143 -5.309 -25.499 1.00 0.00 N ATOM 219 CA CYS A 15 11.762 -6.628 -25.320 1.00 0.00 C ATOM 220 C CYS A 15 11.350 -7.525 -26.502 1.00 0.00 C ATOM 221 O CYS A 15 10.363 -8.271 -26.426 1.00 0.00 O ATOM 222 CB CYS A 15 11.355 -7.227 -23.958 1.00 0.00 C ATOM 223 SG CYS A 15 11.755 -6.159 -22.556 1.00 0.00 S ATOM 0 H CYS A 15 10.243 -5.205 -25.029 1.00 0.00 H new ATOM 0 HA CYS A 15 12.849 -6.546 -25.313 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.283 -7.423 -23.962 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.854 -8.187 -23.828 1.00 0.00 H new ATOM 0 HG CYS A 15 10.900 -5.182 -22.497 1.00 0.00 H new ATOM 229 N TRP A 16 12.087 -7.386 -27.624 1.00 0.00 N ATOM 230 CA TRP A 16 11.767 -8.059 -28.903 1.00 0.00 C ATOM 231 C TRP A 16 12.326 -9.494 -28.914 1.00 0.00 C ATOM 232 O TRP A 16 13.068 -9.894 -28.009 1.00 0.00 O ATOM 233 CB TRP A 16 12.346 -7.251 -30.109 1.00 0.00 C ATOM 234 CG TRP A 16 12.142 -5.751 -30.004 1.00 0.00 C ATOM 235 CD1 TRP A 16 10.978 -5.056 -30.202 1.00 0.00 C ATOM 236 CD2 TRP A 16 13.135 -4.772 -29.656 1.00 0.00 C ATOM 237 NE1 TRP A 16 11.183 -3.720 -29.977 1.00 0.00 N ATOM 238 CE2 TRP A 16 12.496 -3.519 -29.641 1.00 0.00 C ATOM 239 CE3 TRP A 16 14.498 -4.832 -29.344 1.00 0.00 C ATOM 240 CZ2 TRP A 16 13.169 -2.340 -29.325 1.00 0.00 C ATOM 241 CZ3 TRP A 16 15.164 -3.659 -29.035 1.00 0.00 C ATOM 242 CH2 TRP A 16 14.499 -2.429 -29.024 1.00 0.00 C ATOM 0 H TRP A 16 12.923 -6.803 -27.670 1.00 0.00 H new ATOM 0 HA TRP A 16 10.682 -8.105 -29.000 1.00 0.00 H new ATOM 0 HB2 TRP A 16 13.413 -7.457 -30.192 1.00 0.00 H new ATOM 0 HB3 TRP A 16 11.880 -7.607 -31.028 1.00 0.00 H new ATOM 0 HD1 TRP A 16 10.036 -5.497 -30.493 1.00 0.00 H new ATOM 0 HE1 TRP A 16 10.472 -2.992 -30.048 1.00 0.00 H new ATOM 0 HE3 TRP A 16 15.021 -5.777 -29.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 12.657 -1.389 -29.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 16.217 -3.694 -28.798 1.00 0.00 H new ATOM 0 HH2 TRP A 16 15.047 -1.533 -28.773 1.00 0.00 H new ATOM 253 N SER A 17 11.934 -10.277 -29.925 1.00 0.00 N ATOM 254 CA SER A 17 12.537 -11.592 -30.191 1.00 0.00 C ATOM 255 C SER A 17 13.792 -11.413 -31.061 1.00 0.00 C ATOM 256 O SER A 17 13.931 -10.385 -31.738 1.00 0.00 O ATOM 257 CB SER A 17 11.507 -12.500 -30.888 1.00 0.00 C ATOM 258 OG SER A 17 10.320 -12.616 -30.114 1.00 0.00 O ATOM 0 H SER A 17 11.195 -10.021 -30.579 1.00 0.00 H new ATOM 0 HA SER A 17 12.831 -12.063 -29.253 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.266 -12.094 -31.871 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.938 -13.488 -31.048 1.00 0.00 H new ATOM 0 HG SER A 17 9.682 -13.196 -30.579 1.00 0.00 H new ATOM 264 N ILE A 18 14.683 -12.421 -31.051 1.00 0.00 N ATOM 265 CA ILE A 18 15.964 -12.388 -31.796 1.00 0.00 C ATOM 266 C ILE A 18 15.729 -12.131 -33.302 1.00 0.00 C ATOM 267 O ILE A 18 16.426 -11.328 -33.921 1.00 0.00 O ATOM 268 CB ILE A 18 16.762 -13.737 -31.615 1.00 0.00 C ATOM 269 CG1 ILE A 18 17.009 -14.059 -30.100 1.00 0.00 C ATOM 270 CG2 ILE A 18 18.081 -13.741 -32.429 1.00 0.00 C ATOM 271 CD1 ILE A 18 17.658 -12.954 -29.288 1.00 0.00 C ATOM 0 H ILE A 18 14.539 -13.284 -30.527 1.00 0.00 H new ATOM 0 HA ILE A 18 16.553 -11.568 -31.384 1.00 0.00 H new ATOM 0 HB ILE A 18 16.141 -14.537 -32.018 1.00 0.00 H new ATOM 0 HG12 ILE A 18 16.053 -14.308 -29.640 1.00 0.00 H new ATOM 0 HG13 ILE A 18 17.636 -14.948 -30.034 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.600 -14.687 -32.277 1.00 0.00 H new ATOM 0 HG22 ILE A 18 17.855 -13.617 -33.488 1.00 0.00 H new ATOM 0 HG23 ILE A 18 18.717 -12.921 -32.095 1.00 0.00 H new ATOM 0 HD11 ILE A 18 17.781 -13.285 -28.257 1.00 0.00 H new ATOM 0 HD12 ILE A 18 18.634 -12.716 -29.712 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.026 -12.066 -29.311 1.00 0.00 H new ATOM 283 N GLU A 19 14.710 -12.806 -33.849 1.00 0.00 N ATOM 284 CA GLU A 19 14.356 -12.736 -35.275 1.00 0.00 C ATOM 285 C GLU A 19 13.735 -11.381 -35.649 1.00 0.00 C ATOM 286 O GLU A 19 13.983 -10.867 -36.737 1.00 0.00 O ATOM 287 CB GLU A 19 13.435 -13.921 -35.634 1.00 0.00 C ATOM 288 CG GLU A 19 14.152 -15.278 -35.532 1.00 0.00 C ATOM 289 CD GLU A 19 13.207 -16.489 -35.609 1.00 0.00 C ATOM 290 OE1 GLU A 19 12.931 -16.984 -36.722 1.00 0.00 O ATOM 291 OE2 GLU A 19 12.737 -16.953 -34.544 1.00 0.00 O ATOM 0 H GLU A 19 14.102 -13.422 -33.310 1.00 0.00 H new ATOM 0 HA GLU A 19 15.268 -12.815 -35.867 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.571 -13.920 -34.969 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.057 -13.789 -36.648 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.886 -15.351 -36.334 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.702 -15.318 -34.592 1.00 0.00 H new ATOM 298 N HIS A 20 12.971 -10.782 -34.722 1.00 0.00 N ATOM 299 CA HIS A 20 12.397 -9.434 -34.926 1.00 0.00 C ATOM 300 C HIS A 20 13.528 -8.395 -34.982 1.00 0.00 C ATOM 301 O HIS A 20 13.526 -7.511 -35.836 1.00 0.00 O ATOM 302 CB HIS A 20 11.397 -9.083 -33.801 1.00 0.00 C ATOM 303 CG HIS A 20 10.660 -7.781 -34.020 1.00 0.00 C ATOM 304 ND1 HIS A 20 9.504 -7.693 -34.767 1.00 0.00 N ATOM 305 CD2 HIS A 20 10.914 -6.522 -33.584 1.00 0.00 C ATOM 306 CE1 HIS A 20 9.085 -6.443 -34.786 1.00 0.00 C ATOM 307 NE2 HIS A 20 9.922 -5.713 -34.074 1.00 0.00 N ATOM 0 H HIS A 20 12.734 -11.205 -33.825 1.00 0.00 H new ATOM 0 HA HIS A 20 11.854 -9.425 -35.871 1.00 0.00 H new ATOM 0 HB2 HIS A 20 10.670 -9.890 -33.710 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.934 -9.030 -32.854 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.744 -6.214 -32.965 1.00 0.00 H new ATOM 0 HE1 HIS A 20 8.206 -6.079 -35.297 1.00 0.00 H new ATOM 0 HE2 HIS A 20 9.844 -4.709 -33.914 1.00 0.00 H new ATOM 316 N VAL A 21 14.498 -8.556 -34.077 1.00 0.00 N ATOM 317 CA VAL A 21 15.708 -7.730 -34.027 1.00 0.00 C ATOM 318 C VAL A 21 16.455 -7.804 -35.370 1.00 0.00 C ATOM 319 O VAL A 21 16.489 -6.822 -36.093 1.00 0.00 O ATOM 320 CB VAL A 21 16.624 -8.185 -32.823 1.00 0.00 C ATOM 321 CG1 VAL A 21 18.066 -7.625 -32.913 1.00 0.00 C ATOM 322 CG2 VAL A 21 15.964 -7.800 -31.478 1.00 0.00 C ATOM 0 H VAL A 21 14.465 -9.271 -33.351 1.00 0.00 H new ATOM 0 HA VAL A 21 15.430 -6.689 -33.859 1.00 0.00 H new ATOM 0 HB VAL A 21 16.716 -9.270 -32.882 1.00 0.00 H new ATOM 0 HG11 VAL A 21 18.645 -7.973 -32.058 1.00 0.00 H new ATOM 0 HG12 VAL A 21 18.534 -7.972 -33.834 1.00 0.00 H new ATOM 0 HG13 VAL A 21 18.034 -6.535 -32.910 1.00 0.00 H new ATOM 0 HG21 VAL A 21 16.604 -8.118 -30.655 1.00 0.00 H new ATOM 0 HG22 VAL A 21 15.828 -6.719 -31.435 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.994 -8.291 -31.395 1.00 0.00 H new ATOM 332 N GLU A 22 16.924 -9.008 -35.736 1.00 0.00 N ATOM 333 CA GLU A 22 17.836 -9.208 -36.881 1.00 0.00 C ATOM 334 C GLU A 22 17.197 -8.817 -38.228 1.00 0.00 C ATOM 335 O GLU A 22 17.839 -8.155 -39.057 1.00 0.00 O ATOM 336 CB GLU A 22 18.344 -10.675 -36.915 1.00 0.00 C ATOM 337 CG GLU A 22 17.261 -11.761 -37.092 1.00 0.00 C ATOM 338 CD GLU A 22 17.795 -13.199 -37.023 1.00 0.00 C ATOM 339 OE1 GLU A 22 18.540 -13.513 -36.068 1.00 0.00 O ATOM 340 OE2 GLU A 22 17.476 -14.019 -37.916 1.00 0.00 O ATOM 0 H GLU A 22 16.684 -9.871 -35.249 1.00 0.00 H new ATOM 0 HA GLU A 22 18.684 -8.539 -36.736 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.063 -10.771 -37.728 1.00 0.00 H new ATOM 0 HB3 GLU A 22 18.882 -10.874 -35.988 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.501 -11.630 -36.321 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.768 -11.614 -38.053 1.00 0.00 H new ATOM 347 N GLN A 23 15.920 -9.187 -38.419 1.00 0.00 N ATOM 348 CA GLN A 23 15.221 -8.995 -39.701 1.00 0.00 C ATOM 349 C GLN A 23 14.753 -7.542 -39.878 1.00 0.00 C ATOM 350 O GLN A 23 14.737 -7.029 -41.003 1.00 0.00 O ATOM 351 CB GLN A 23 14.036 -9.989 -39.827 1.00 0.00 C ATOM 352 CG GLN A 23 14.455 -11.483 -39.796 1.00 0.00 C ATOM 353 CD GLN A 23 15.518 -11.876 -40.841 1.00 0.00 C ATOM 354 OE1 GLN A 23 15.573 -11.319 -41.940 1.00 0.00 O ATOM 355 NE2 GLN A 23 16.377 -12.833 -40.501 1.00 0.00 N ATOM 0 H GLN A 23 15.347 -9.624 -37.697 1.00 0.00 H new ATOM 0 HA GLN A 23 15.928 -9.203 -40.504 1.00 0.00 H new ATOM 0 HB2 GLN A 23 13.332 -9.803 -39.015 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.507 -9.791 -40.759 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.837 -11.718 -38.803 1.00 0.00 H new ATOM 0 HG3 GLN A 23 13.569 -12.098 -39.950 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.309 -13.277 -39.585 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.103 -13.122 -41.156 1.00 0.00 H new ATOM 364 N TYR A 24 14.378 -6.873 -38.770 1.00 0.00 N ATOM 365 CA TYR A 24 13.902 -5.474 -38.816 1.00 0.00 C ATOM 366 C TYR A 24 15.034 -4.462 -38.527 1.00 0.00 C ATOM 367 O TYR A 24 14.803 -3.262 -38.654 1.00 0.00 O ATOM 368 CB TYR A 24 12.731 -5.250 -37.825 1.00 0.00 C ATOM 369 CG TYR A 24 11.419 -5.978 -38.157 1.00 0.00 C ATOM 370 CD1 TYR A 24 11.331 -7.368 -38.111 1.00 0.00 C ATOM 371 CD2 TYR A 24 10.260 -5.267 -38.490 1.00 0.00 C ATOM 372 CE1 TYR A 24 10.145 -8.022 -38.390 1.00 0.00 C ATOM 373 CE2 TYR A 24 9.075 -5.919 -38.761 1.00 0.00 C ATOM 374 CZ TYR A 24 9.021 -7.295 -38.708 1.00 0.00 C ATOM 375 OH TYR A 24 7.835 -7.949 -38.968 1.00 0.00 O ATOM 0 H TYR A 24 14.395 -7.277 -37.833 1.00 0.00 H new ATOM 0 HA TYR A 24 13.548 -5.300 -39.832 1.00 0.00 H new ATOM 0 HB2 TYR A 24 13.056 -5.563 -36.833 1.00 0.00 H new ATOM 0 HB3 TYR A 24 12.526 -4.181 -37.771 1.00 0.00 H new ATOM 0 HD1 TYR A 24 12.206 -7.946 -37.852 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.294 -4.189 -38.536 1.00 0.00 H new ATOM 0 HE1 TYR A 24 10.101 -9.101 -38.358 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.191 -5.352 -39.014 1.00 0.00 H new ATOM 0 HH TYR A 24 7.138 -7.292 -39.175 1.00 0.00 H new ATOM 385 N LEU A 25 16.240 -4.933 -38.129 1.00 0.00 N ATOM 386 CA LEU A 25 17.390 -4.034 -37.844 1.00 0.00 C ATOM 387 C LEU A 25 17.746 -3.189 -39.077 1.00 0.00 C ATOM 388 O LEU A 25 18.066 -3.730 -40.141 1.00 0.00 O ATOM 389 CB LEU A 25 18.645 -4.826 -37.333 1.00 0.00 C ATOM 390 CG LEU A 25 18.873 -4.824 -35.786 1.00 0.00 C ATOM 391 CD1 LEU A 25 20.086 -5.684 -35.396 1.00 0.00 C ATOM 392 CD2 LEU A 25 19.013 -3.385 -35.241 1.00 0.00 C ATOM 0 H LEU A 25 16.444 -5.924 -37.998 1.00 0.00 H new ATOM 0 HA LEU A 25 17.081 -3.363 -37.042 1.00 0.00 H new ATOM 0 HB2 LEU A 25 18.558 -5.860 -37.666 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.532 -4.411 -37.812 1.00 0.00 H new ATOM 0 HG LEU A 25 17.991 -5.269 -35.326 1.00 0.00 H new ATOM 0 HD11 LEU A 25 20.216 -5.661 -34.314 1.00 0.00 H new ATOM 0 HD12 LEU A 25 19.922 -6.712 -35.720 1.00 0.00 H new ATOM 0 HD13 LEU A 25 20.981 -5.290 -35.877 1.00 0.00 H new ATOM 0 HD21 LEU A 25 19.170 -3.418 -34.163 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.863 -2.897 -35.717 1.00 0.00 H new ATOM 0 HD23 LEU A 25 18.104 -2.824 -35.458 1.00 0.00 H new ATOM 404 N GLY A 26 17.667 -1.859 -38.912 1.00 0.00 N ATOM 405 CA GLY A 26 18.024 -0.905 -39.961 1.00 0.00 C ATOM 406 C GLY A 26 16.820 -0.256 -40.624 1.00 0.00 C ATOM 407 O GLY A 26 16.986 0.639 -41.463 1.00 0.00 O ATOM 0 H GLY A 26 17.353 -1.420 -38.046 1.00 0.00 H new ATOM 0 HA2 GLY A 26 18.657 -0.127 -39.534 1.00 0.00 H new ATOM 0 HA3 GLY A 26 18.616 -1.416 -40.720 1.00 0.00 H new ATOM 411 N THR A 27 15.603 -0.691 -40.247 1.00 0.00 N ATOM 412 CA THR A 27 14.352 -0.133 -40.799 1.00 0.00 C ATOM 413 C THR A 27 13.850 1.035 -39.924 1.00 0.00 C ATOM 414 O THR A 27 14.499 1.413 -38.934 1.00 0.00 O ATOM 415 CB THR A 27 13.240 -1.232 -40.906 1.00 0.00 C ATOM 416 OG1 THR A 27 12.797 -1.639 -39.595 1.00 0.00 O ATOM 417 CG2 THR A 27 13.725 -2.468 -41.689 1.00 0.00 C ATOM 0 H THR A 27 15.458 -1.430 -39.559 1.00 0.00 H new ATOM 0 HA THR A 27 14.568 0.237 -41.801 1.00 0.00 H new ATOM 0 HB THR A 27 12.407 -0.788 -41.451 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.392 -2.337 -39.251 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.923 -3.205 -41.739 1.00 0.00 H new ATOM 0 HG22 THR A 27 14.008 -2.171 -42.699 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.587 -2.904 -41.184 1.00 0.00 H new ATOM 425 N ASP A 28 12.697 1.614 -40.305 1.00 0.00 N ATOM 426 CA ASP A 28 11.995 2.620 -39.486 1.00 0.00 C ATOM 427 C ASP A 28 11.255 1.949 -38.314 1.00 0.00 C ATOM 428 O ASP A 28 11.012 2.580 -37.282 1.00 0.00 O ATOM 429 CB ASP A 28 10.993 3.425 -40.352 1.00 0.00 C ATOM 430 CG ASP A 28 11.666 4.166 -41.523 1.00 0.00 C ATOM 431 OD1 ASP A 28 12.273 5.238 -41.292 1.00 0.00 O ATOM 432 OD2 ASP A 28 11.599 3.688 -42.681 1.00 0.00 O ATOM 0 H ASP A 28 12.227 1.399 -41.185 1.00 0.00 H new ATOM 0 HA ASP A 28 12.740 3.305 -39.082 1.00 0.00 H new ATOM 0 HB2 ASP A 28 10.236 2.747 -40.746 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.476 4.148 -39.721 1.00 0.00 H new ATOM 437 N GLU A 29 10.912 0.660 -38.494 1.00 0.00 N ATOM 438 CA GLU A 29 10.160 -0.130 -37.503 1.00 0.00 C ATOM 439 C GLU A 29 11.061 -0.539 -36.331 1.00 0.00 C ATOM 440 O GLU A 29 10.641 -0.496 -35.169 1.00 0.00 O ATOM 441 CB GLU A 29 9.547 -1.385 -38.179 1.00 0.00 C ATOM 442 CG GLU A 29 8.481 -1.074 -39.254 1.00 0.00 C ATOM 443 CD GLU A 29 7.826 -2.334 -39.844 1.00 0.00 C ATOM 444 OE1 GLU A 29 7.176 -3.090 -39.085 1.00 0.00 O ATOM 445 OE2 GLU A 29 7.947 -2.579 -41.062 1.00 0.00 O ATOM 0 H GLU A 29 11.150 0.135 -39.336 1.00 0.00 H new ATOM 0 HA GLU A 29 9.354 0.489 -37.108 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.349 -1.964 -38.637 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.098 -2.014 -37.410 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.708 -0.442 -38.817 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.943 -0.502 -40.059 1.00 0.00 H new ATOM 452 N LEU A 30 12.307 -0.930 -36.655 1.00 0.00 N ATOM 453 CA LEU A 30 13.325 -1.290 -35.654 1.00 0.00 C ATOM 454 C LEU A 30 14.665 -0.672 -36.105 1.00 0.00 C ATOM 455 O LEU A 30 15.430 -1.303 -36.847 1.00 0.00 O ATOM 456 CB LEU A 30 13.406 -2.845 -35.488 1.00 0.00 C ATOM 457 CG LEU A 30 13.964 -3.425 -34.143 1.00 0.00 C ATOM 458 CD1 LEU A 30 15.474 -3.168 -33.938 1.00 0.00 C ATOM 459 CD2 LEU A 30 13.143 -2.891 -32.964 1.00 0.00 C ATOM 0 H LEU A 30 12.635 -1.005 -37.618 1.00 0.00 H new ATOM 0 HA LEU A 30 13.066 -0.895 -34.672 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.403 -3.246 -35.631 1.00 0.00 H new ATOM 0 HB3 LEU A 30 14.023 -3.233 -36.298 1.00 0.00 H new ATOM 0 HG LEU A 30 13.859 -4.509 -34.197 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.790 -3.597 -32.987 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.035 -3.631 -34.750 1.00 0.00 H new ATOM 0 HD13 LEU A 30 15.663 -2.095 -33.932 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.536 -3.298 -32.033 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.206 -1.803 -32.940 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.102 -3.191 -33.080 1.00 0.00 H new ATOM 471 N PRO A 31 14.931 0.616 -35.733 1.00 0.00 N ATOM 472 CA PRO A 31 16.236 1.250 -35.971 1.00 0.00 C ATOM 473 C PRO A 31 17.368 0.552 -35.200 1.00 0.00 C ATOM 474 O PRO A 31 17.138 -0.057 -34.142 1.00 0.00 O ATOM 475 CB PRO A 31 16.046 2.714 -35.483 1.00 0.00 C ATOM 476 CG PRO A 31 14.561 2.914 -35.432 1.00 0.00 C ATOM 477 CD PRO A 31 13.974 1.562 -35.110 1.00 0.00 C ATOM 0 HA PRO A 31 16.529 1.190 -37.019 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.499 2.866 -34.503 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.517 3.422 -36.165 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.291 3.648 -34.673 1.00 0.00 H new ATOM 0 HG3 PRO A 31 14.184 3.287 -36.384 1.00 0.00 H new ATOM 0 HD2 PRO A 31 13.895 1.404 -34.034 1.00 0.00 H new ATOM 0 HD3 PRO A 31 12.972 1.450 -35.523 1.00 0.00 H new ATOM 485 N LYS A 32 18.593 0.673 -35.738 1.00 0.00 N ATOM 486 CA LYS A 32 19.815 0.220 -35.062 1.00 0.00 C ATOM 487 C LYS A 32 19.958 0.941 -33.709 1.00 0.00 C ATOM 488 O LYS A 32 20.338 0.329 -32.702 1.00 0.00 O ATOM 489 CB LYS A 32 21.062 0.494 -35.933 1.00 0.00 C ATOM 490 CG LYS A 32 21.027 -0.113 -37.351 1.00 0.00 C ATOM 491 CD LYS A 32 22.342 0.176 -38.152 1.00 0.00 C ATOM 492 CE LYS A 32 22.080 0.730 -39.562 1.00 0.00 C ATOM 493 NZ LYS A 32 21.387 -0.249 -40.438 1.00 0.00 N ATOM 0 H LYS A 32 18.761 1.088 -36.654 1.00 0.00 H new ATOM 0 HA LYS A 32 19.739 -0.855 -34.898 1.00 0.00 H new ATOM 0 HB2 LYS A 32 21.192 1.573 -36.021 1.00 0.00 H new ATOM 0 HB3 LYS A 32 21.939 0.108 -35.413 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.877 -1.190 -37.279 1.00 0.00 H new ATOM 0 HG3 LYS A 32 20.175 0.292 -37.897 1.00 0.00 H new ATOM 0 HD2 LYS A 32 22.950 0.889 -37.595 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.922 -0.744 -38.231 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.478 1.635 -39.487 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.028 1.014 -40.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 21.965 -0.428 -41.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 21.246 -1.140 -39.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 20.464 0.134 -40.724 1.00 0.00 H new ATOM 507 N ASN A 33 19.592 2.242 -33.718 1.00 0.00 N ATOM 508 CA ASN A 33 19.647 3.114 -32.534 1.00 0.00 C ATOM 509 C ASN A 33 18.875 2.494 -31.357 1.00 0.00 C ATOM 510 O ASN A 33 19.421 2.345 -30.276 1.00 0.00 O ATOM 511 CB ASN A 33 19.038 4.500 -32.858 1.00 0.00 C ATOM 512 CG ASN A 33 19.209 5.522 -31.723 1.00 0.00 C ATOM 513 OD1 ASN A 33 20.127 6.332 -31.746 1.00 0.00 O ATOM 514 ND2 ASN A 33 18.355 5.463 -30.708 1.00 0.00 N ATOM 0 H ASN A 33 19.249 2.715 -34.554 1.00 0.00 H new ATOM 0 HA ASN A 33 20.695 3.227 -32.255 1.00 0.00 H new ATOM 0 HB2 ASN A 33 19.504 4.891 -33.762 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.976 4.381 -33.073 1.00 0.00 H new ATOM 0 HD21 ASN A 33 18.454 6.103 -29.920 1.00 0.00 H new ATOM 0 HD22 ASN A 33 17.600 4.778 -30.716 1.00 0.00 H new ATOM 521 N ASP A 34 17.606 2.121 -31.617 1.00 0.00 N ATOM 522 CA ASP A 34 16.660 1.615 -30.596 1.00 0.00 C ATOM 523 C ASP A 34 17.128 0.298 -29.957 1.00 0.00 C ATOM 524 O ASP A 34 16.827 0.030 -28.787 1.00 0.00 O ATOM 525 CB ASP A 34 15.254 1.445 -31.220 1.00 0.00 C ATOM 526 CG ASP A 34 14.570 2.790 -31.562 1.00 0.00 C ATOM 527 OD1 ASP A 34 15.224 3.674 -32.168 1.00 0.00 O ATOM 528 OD2 ASP A 34 13.371 2.963 -31.243 1.00 0.00 O ATOM 0 H ASP A 34 17.202 2.162 -32.553 1.00 0.00 H new ATOM 0 HA ASP A 34 16.619 2.354 -29.796 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.337 0.846 -32.127 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.622 0.889 -30.528 1.00 0.00 H new ATOM 533 N LEU A 35 17.863 -0.509 -30.732 1.00 0.00 N ATOM 534 CA LEU A 35 18.499 -1.752 -30.226 1.00 0.00 C ATOM 535 C LEU A 35 19.598 -1.375 -29.200 1.00 0.00 C ATOM 536 O LEU A 35 19.575 -1.821 -28.041 1.00 0.00 O ATOM 537 CB LEU A 35 19.070 -2.580 -31.428 1.00 0.00 C ATOM 538 CG LEU A 35 19.390 -4.099 -31.186 1.00 0.00 C ATOM 539 CD1 LEU A 35 20.607 -4.336 -30.266 1.00 0.00 C ATOM 540 CD2 LEU A 35 18.147 -4.828 -30.657 1.00 0.00 C ATOM 0 H LEU A 35 18.038 -0.329 -31.721 1.00 0.00 H new ATOM 0 HA LEU A 35 17.766 -2.379 -29.719 1.00 0.00 H new ATOM 0 HB2 LEU A 35 18.356 -2.515 -32.249 1.00 0.00 H new ATOM 0 HB3 LEU A 35 19.986 -2.094 -31.764 1.00 0.00 H new ATOM 0 HG LEU A 35 19.667 -4.516 -32.154 1.00 0.00 H new ATOM 0 HD11 LEU A 35 20.768 -5.407 -30.144 1.00 0.00 H new ATOM 0 HD12 LEU A 35 21.493 -3.884 -30.711 1.00 0.00 H new ATOM 0 HD13 LEU A 35 20.420 -3.884 -29.292 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.384 -5.879 -30.494 1.00 0.00 H new ATOM 0 HD22 LEU A 35 17.833 -4.376 -29.716 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.340 -4.746 -31.385 1.00 0.00 H new ATOM 552 N ILE A 36 20.525 -0.510 -29.655 1.00 0.00 N ATOM 553 CA ILE A 36 21.626 0.046 -28.826 1.00 0.00 C ATOM 554 C ILE A 36 21.065 0.743 -27.560 1.00 0.00 C ATOM 555 O ILE A 36 21.655 0.662 -26.479 1.00 0.00 O ATOM 556 CB ILE A 36 22.470 1.072 -29.683 1.00 0.00 C ATOM 557 CG1 ILE A 36 23.023 0.383 -30.975 1.00 0.00 C ATOM 558 CG2 ILE A 36 23.630 1.705 -28.872 1.00 0.00 C ATOM 559 CD1 ILE A 36 23.542 1.331 -32.049 1.00 0.00 C ATOM 0 H ILE A 36 20.536 -0.171 -30.617 1.00 0.00 H new ATOM 0 HA ILE A 36 22.269 -0.773 -28.506 1.00 0.00 H new ATOM 0 HB ILE A 36 21.796 1.880 -29.967 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.830 -0.292 -30.690 1.00 0.00 H new ATOM 0 HG13 ILE A 36 22.232 -0.230 -31.407 1.00 0.00 H new ATOM 0 HG21 ILE A 36 24.179 2.402 -29.505 1.00 0.00 H new ATOM 0 HG22 ILE A 36 23.224 2.238 -28.012 1.00 0.00 H new ATOM 0 HG23 ILE A 36 24.304 0.920 -28.527 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.902 0.754 -32.901 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.737 1.991 -32.372 1.00 0.00 H new ATOM 0 HD13 ILE A 36 24.359 1.928 -31.644 1.00 0.00 H new ATOM 571 N THR A 37 19.879 1.366 -27.724 1.00 0.00 N ATOM 572 CA THR A 37 19.172 2.091 -26.664 1.00 0.00 C ATOM 573 C THR A 37 18.682 1.119 -25.579 1.00 0.00 C ATOM 574 O THR A 37 18.984 1.311 -24.404 1.00 0.00 O ATOM 575 CB THR A 37 17.970 2.908 -27.246 1.00 0.00 C ATOM 576 OG1 THR A 37 18.447 3.851 -28.215 1.00 0.00 O ATOM 577 CG2 THR A 37 17.176 3.655 -26.163 1.00 0.00 C ATOM 0 H THR A 37 19.383 1.375 -28.615 1.00 0.00 H new ATOM 0 HA THR A 37 19.873 2.793 -26.213 1.00 0.00 H new ATOM 0 HB THR A 37 17.295 2.189 -27.709 1.00 0.00 H new ATOM 0 HG1 THR A 37 18.814 3.370 -28.986 1.00 0.00 H new ATOM 0 HG21 THR A 37 16.356 4.203 -26.626 1.00 0.00 H new ATOM 0 HG22 THR A 37 16.775 2.938 -25.447 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.834 4.354 -25.647 1.00 0.00 H new ATOM 585 N TYR A 38 17.970 0.046 -26.000 1.00 0.00 N ATOM 586 CA TYR A 38 17.454 -0.995 -25.081 1.00 0.00 C ATOM 587 C TYR A 38 18.598 -1.562 -24.230 1.00 0.00 C ATOM 588 O TYR A 38 18.461 -1.728 -23.016 1.00 0.00 O ATOM 589 CB TYR A 38 16.769 -2.143 -25.871 1.00 0.00 C ATOM 590 CG TYR A 38 16.250 -3.312 -24.994 1.00 0.00 C ATOM 591 CD1 TYR A 38 14.968 -3.296 -24.454 1.00 0.00 C ATOM 592 CD2 TYR A 38 17.055 -4.421 -24.700 1.00 0.00 C ATOM 593 CE1 TYR A 38 14.510 -4.336 -23.661 1.00 0.00 C ATOM 594 CE2 TYR A 38 16.604 -5.455 -23.909 1.00 0.00 C ATOM 595 CZ TYR A 38 15.332 -5.409 -23.393 1.00 0.00 C ATOM 596 OH TYR A 38 14.880 -6.440 -22.603 1.00 0.00 O ATOM 0 H TYR A 38 17.739 -0.121 -26.979 1.00 0.00 H new ATOM 0 HA TYR A 38 16.713 -0.534 -24.429 1.00 0.00 H new ATOM 0 HB2 TYR A 38 15.932 -1.730 -26.434 1.00 0.00 H new ATOM 0 HB3 TYR A 38 17.478 -2.539 -26.598 1.00 0.00 H new ATOM 0 HD1 TYR A 38 14.318 -2.458 -24.657 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.055 -4.466 -25.104 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.510 -4.306 -23.254 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.247 -6.296 -23.696 1.00 0.00 H new ATOM 0 HH TYR A 38 13.916 -6.341 -22.456 1.00 0.00 H new ATOM 606 N LEU A 39 19.727 -1.838 -24.900 1.00 0.00 N ATOM 607 CA LEU A 39 20.917 -2.401 -24.250 1.00 0.00 C ATOM 608 C LEU A 39 21.511 -1.428 -23.217 1.00 0.00 C ATOM 609 O LEU A 39 21.789 -1.829 -22.119 1.00 0.00 O ATOM 610 CB LEU A 39 21.977 -2.853 -25.295 1.00 0.00 C ATOM 611 CG LEU A 39 21.812 -4.314 -25.838 1.00 0.00 C ATOM 612 CD1 LEU A 39 20.433 -4.549 -26.479 1.00 0.00 C ATOM 613 CD2 LEU A 39 22.932 -4.671 -26.823 1.00 0.00 C ATOM 0 H LEU A 39 19.839 -1.678 -25.901 1.00 0.00 H new ATOM 0 HA LEU A 39 20.602 -3.291 -23.706 1.00 0.00 H new ATOM 0 HB2 LEU A 39 21.945 -2.165 -26.140 1.00 0.00 H new ATOM 0 HB3 LEU A 39 22.966 -2.761 -24.846 1.00 0.00 H new ATOM 0 HG LEU A 39 21.885 -4.976 -24.975 1.00 0.00 H new ATOM 0 HD11 LEU A 39 20.369 -5.576 -26.839 1.00 0.00 H new ATOM 0 HD12 LEU A 39 19.653 -4.376 -25.738 1.00 0.00 H new ATOM 0 HD13 LEU A 39 20.298 -3.862 -27.315 1.00 0.00 H new ATOM 0 HD21 LEU A 39 22.790 -5.690 -27.182 1.00 0.00 H new ATOM 0 HD22 LEU A 39 22.907 -3.982 -27.667 1.00 0.00 H new ATOM 0 HD23 LEU A 39 23.896 -4.595 -26.321 1.00 0.00 H new ATOM 625 N GLN A 40 21.674 -0.144 -23.547 1.00 0.00 N ATOM 626 CA GLN A 40 22.275 0.828 -22.592 1.00 0.00 C ATOM 627 C GLN A 40 21.307 1.199 -21.452 1.00 0.00 C ATOM 628 O GLN A 40 21.736 1.704 -20.409 1.00 0.00 O ATOM 629 CB GLN A 40 22.825 2.075 -23.327 1.00 0.00 C ATOM 630 CG GLN A 40 21.781 2.907 -24.084 1.00 0.00 C ATOM 631 CD GLN A 40 22.365 3.744 -25.228 1.00 0.00 C ATOM 632 OE1 GLN A 40 21.889 4.839 -25.509 1.00 0.00 O ATOM 633 NE2 GLN A 40 23.356 3.195 -25.938 1.00 0.00 N ATOM 0 H GLN A 40 21.408 0.254 -24.448 1.00 0.00 H new ATOM 0 HA GLN A 40 23.124 0.334 -22.120 1.00 0.00 H new ATOM 0 HB2 GLN A 40 23.318 2.718 -22.597 1.00 0.00 H new ATOM 0 HB3 GLN A 40 23.589 1.751 -24.034 1.00 0.00 H new ATOM 0 HG2 GLN A 40 21.021 2.238 -24.488 1.00 0.00 H new ATOM 0 HG3 GLN A 40 21.280 3.571 -23.380 1.00 0.00 H new ATOM 0 HE21 GLN A 40 23.727 2.282 -25.675 1.00 0.00 H new ATOM 0 HE22 GLN A 40 23.741 3.689 -26.743 1.00 0.00 H new ATOM 642 N LYS A 41 20.001 0.952 -21.657 1.00 0.00 N ATOM 643 CA LYS A 41 18.983 1.139 -20.605 1.00 0.00 C ATOM 644 C LYS A 41 19.043 -0.024 -19.596 1.00 0.00 C ATOM 645 O LYS A 41 19.237 0.198 -18.402 1.00 0.00 O ATOM 646 CB LYS A 41 17.557 1.266 -21.215 1.00 0.00 C ATOM 647 CG LYS A 41 17.347 2.534 -22.075 1.00 0.00 C ATOM 648 CD LYS A 41 15.906 2.681 -22.620 1.00 0.00 C ATOM 649 CE LYS A 41 14.859 2.867 -21.509 1.00 0.00 C ATOM 650 NZ LYS A 41 15.103 4.094 -20.700 1.00 0.00 N ATOM 0 H LYS A 41 19.624 0.621 -22.545 1.00 0.00 H new ATOM 0 HA LYS A 41 19.201 2.070 -20.081 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.357 0.387 -21.828 1.00 0.00 H new ATOM 0 HB3 LYS A 41 16.826 1.264 -20.406 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.592 3.412 -21.478 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.043 2.514 -22.913 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.865 3.534 -23.297 1.00 0.00 H new ATOM 0 HD3 LYS A 41 15.653 1.797 -23.206 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.866 2.920 -21.955 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.869 1.995 -20.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.310 4.241 -20.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 15.984 3.983 -20.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.186 4.916 -21.332 1.00 0.00 H new ATOM 664 N ASN A 42 18.914 -1.265 -20.097 1.00 0.00 N ATOM 665 CA ASN A 42 18.792 -2.472 -19.247 1.00 0.00 C ATOM 666 C ASN A 42 20.166 -2.996 -18.765 1.00 0.00 C ATOM 667 O ASN A 42 20.299 -3.439 -17.620 1.00 0.00 O ATOM 668 CB ASN A 42 18.011 -3.584 -19.999 1.00 0.00 C ATOM 669 CG ASN A 42 16.528 -3.257 -20.177 1.00 0.00 C ATOM 670 OD1 ASN A 42 15.715 -3.549 -19.302 1.00 0.00 O ATOM 671 ND2 ASN A 42 16.166 -2.650 -21.301 1.00 0.00 N ATOM 0 H ASN A 42 18.891 -1.464 -21.097 1.00 0.00 H new ATOM 0 HA ASN A 42 18.234 -2.186 -18.356 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.463 -3.739 -20.979 1.00 0.00 H new ATOM 0 HB3 ASN A 42 18.107 -4.522 -19.452 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.187 -2.411 -21.459 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.867 -2.422 -22.006 1.00 0.00 H new ATOM 678 N ALA A 43 21.175 -2.952 -19.639 1.00 0.00 N ATOM 679 CA ALA A 43 22.545 -3.418 -19.311 1.00 0.00 C ATOM 680 C ALA A 43 23.328 -2.363 -18.541 1.00 0.00 C ATOM 681 O ALA A 43 23.088 -1.156 -18.684 1.00 0.00 O ATOM 682 CB ALA A 43 23.332 -3.813 -20.569 1.00 0.00 C ATOM 0 H ALA A 43 21.077 -2.597 -20.590 1.00 0.00 H new ATOM 0 HA ALA A 43 22.423 -4.300 -18.682 1.00 0.00 H new ATOM 0 HB1 ALA A 43 24.329 -4.148 -20.284 1.00 0.00 H new ATOM 0 HB2 ALA A 43 22.812 -4.620 -21.085 1.00 0.00 H new ATOM 0 HB3 ALA A 43 23.414 -2.952 -21.232 1.00 0.00 H new ATOM 688 N ASP A 44 24.271 -2.853 -17.731 1.00 0.00 N ATOM 689 CA ASP A 44 25.225 -2.029 -16.990 1.00 0.00 C ATOM 690 C ASP A 44 26.300 -1.504 -17.953 1.00 0.00 C ATOM 691 O ASP A 44 26.553 -2.121 -18.995 1.00 0.00 O ATOM 692 CB ASP A 44 25.861 -2.866 -15.851 1.00 0.00 C ATOM 693 CG ASP A 44 24.809 -3.606 -14.993 1.00 0.00 C ATOM 694 OD1 ASP A 44 24.209 -2.980 -14.088 1.00 0.00 O ATOM 695 OD2 ASP A 44 24.571 -4.816 -15.233 1.00 0.00 O ATOM 0 H ASP A 44 24.393 -3.853 -17.570 1.00 0.00 H new ATOM 0 HA ASP A 44 24.713 -1.177 -16.544 1.00 0.00 H new ATOM 0 HB2 ASP A 44 26.549 -3.594 -16.281 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.450 -2.210 -15.210 1.00 0.00 H new ATOM 700 N ALA A 45 26.955 -0.395 -17.570 1.00 0.00 N ATOM 701 CA ALA A 45 27.882 0.360 -18.448 1.00 0.00 C ATOM 702 C ALA A 45 28.990 -0.527 -19.064 1.00 0.00 C ATOM 703 O ALA A 45 29.404 -0.305 -20.205 1.00 0.00 O ATOM 704 CB ALA A 45 28.498 1.531 -17.675 1.00 0.00 C ATOM 0 H ALA A 45 26.860 0.010 -16.639 1.00 0.00 H new ATOM 0 HA ALA A 45 27.293 0.740 -19.282 1.00 0.00 H new ATOM 0 HB1 ALA A 45 29.177 2.080 -18.327 1.00 0.00 H new ATOM 0 HB2 ALA A 45 27.706 2.197 -17.332 1.00 0.00 H new ATOM 0 HB3 ALA A 45 29.049 1.150 -16.815 1.00 0.00 H new ATOM 710 N ALA A 46 29.408 -1.557 -18.303 1.00 0.00 N ATOM 711 CA ALA A 46 30.449 -2.529 -18.709 1.00 0.00 C ATOM 712 C ALA A 46 30.113 -3.236 -20.043 1.00 0.00 C ATOM 713 O ALA A 46 30.992 -3.447 -20.893 1.00 0.00 O ATOM 714 CB ALA A 46 30.634 -3.575 -17.599 1.00 0.00 C ATOM 0 H ALA A 46 29.028 -1.742 -17.375 1.00 0.00 H new ATOM 0 HA ALA A 46 31.373 -1.972 -18.864 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.400 -4.291 -17.897 1.00 0.00 H new ATOM 0 HB2 ALA A 46 30.940 -3.078 -16.678 1.00 0.00 H new ATOM 0 HB3 ALA A 46 29.693 -4.099 -17.433 1.00 0.00 H new ATOM 720 N PHE A 47 28.826 -3.579 -20.209 1.00 0.00 N ATOM 721 CA PHE A 47 28.321 -4.336 -21.372 1.00 0.00 C ATOM 722 C PHE A 47 28.407 -3.486 -22.654 1.00 0.00 C ATOM 723 O PHE A 47 28.717 -3.993 -23.742 1.00 0.00 O ATOM 724 CB PHE A 47 26.859 -4.770 -21.102 1.00 0.00 C ATOM 725 CG PHE A 47 26.299 -5.791 -22.092 1.00 0.00 C ATOM 726 CD1 PHE A 47 26.489 -7.153 -21.879 1.00 0.00 C ATOM 727 CD2 PHE A 47 25.592 -5.393 -23.230 1.00 0.00 C ATOM 728 CE1 PHE A 47 25.995 -8.085 -22.769 1.00 0.00 C ATOM 729 CE2 PHE A 47 25.099 -6.327 -24.122 1.00 0.00 C ATOM 730 CZ PHE A 47 25.301 -7.672 -23.890 1.00 0.00 C ATOM 0 H PHE A 47 28.098 -3.338 -19.536 1.00 0.00 H new ATOM 0 HA PHE A 47 28.938 -5.222 -21.519 1.00 0.00 H new ATOM 0 HB2 PHE A 47 26.799 -5.189 -20.097 1.00 0.00 H new ATOM 0 HB3 PHE A 47 26.224 -3.884 -21.117 1.00 0.00 H new ATOM 0 HD1 PHE A 47 27.030 -7.485 -21.005 1.00 0.00 H new ATOM 0 HD2 PHE A 47 25.429 -4.342 -23.415 1.00 0.00 H new ATOM 0 HE1 PHE A 47 26.151 -9.138 -22.589 1.00 0.00 H new ATOM 0 HE2 PHE A 47 24.557 -6.005 -24.999 1.00 0.00 H new ATOM 0 HZ PHE A 47 24.916 -8.403 -24.586 1.00 0.00 H new ATOM 740 N LEU A 48 28.134 -2.185 -22.504 1.00 0.00 N ATOM 741 CA LEU A 48 28.183 -1.229 -23.617 1.00 0.00 C ATOM 742 C LEU A 48 29.642 -0.915 -23.975 1.00 0.00 C ATOM 743 O LEU A 48 29.986 -0.738 -25.137 1.00 0.00 O ATOM 744 CB LEU A 48 27.398 0.067 -23.281 1.00 0.00 C ATOM 745 CG LEU A 48 25.876 -0.101 -22.950 1.00 0.00 C ATOM 746 CD1 LEU A 48 25.179 -1.094 -23.903 1.00 0.00 C ATOM 747 CD2 LEU A 48 25.631 -0.475 -21.480 1.00 0.00 C ATOM 0 H LEU A 48 27.874 -1.766 -21.611 1.00 0.00 H new ATOM 0 HA LEU A 48 27.702 -1.683 -24.483 1.00 0.00 H new ATOM 0 HB2 LEU A 48 27.881 0.547 -22.430 1.00 0.00 H new ATOM 0 HB3 LEU A 48 27.490 0.750 -24.126 1.00 0.00 H new ATOM 0 HG LEU A 48 25.424 0.878 -23.110 1.00 0.00 H new ATOM 0 HD11 LEU A 48 24.126 -1.178 -23.635 1.00 0.00 H new ATOM 0 HD12 LEU A 48 25.265 -0.735 -24.929 1.00 0.00 H new ATOM 0 HD13 LEU A 48 25.653 -2.072 -23.820 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.560 -0.579 -21.305 1.00 0.00 H new ATOM 0 HD22 LEU A 48 26.129 -1.419 -21.257 1.00 0.00 H new ATOM 0 HD23 LEU A 48 26.030 0.307 -20.834 1.00 0.00 H new ATOM 759 N ARG A 49 30.500 -0.870 -22.954 1.00 0.00 N ATOM 760 CA ARG A 49 31.954 -0.711 -23.137 1.00 0.00 C ATOM 761 C ARG A 49 32.559 -1.960 -23.813 1.00 0.00 C ATOM 762 O ARG A 49 33.593 -1.868 -24.478 1.00 0.00 O ATOM 763 CB ARG A 49 32.629 -0.441 -21.780 1.00 0.00 C ATOM 764 CG ARG A 49 32.267 0.918 -21.146 1.00 0.00 C ATOM 765 CD ARG A 49 32.775 1.051 -19.698 1.00 0.00 C ATOM 766 NE ARG A 49 34.235 0.857 -19.609 1.00 0.00 N ATOM 767 CZ ARG A 49 34.929 0.643 -18.481 1.00 0.00 C ATOM 768 NH1 ARG A 49 34.325 0.621 -17.299 1.00 0.00 N ATOM 769 NH2 ARG A 49 36.230 0.451 -18.548 1.00 0.00 N ATOM 0 H ARG A 49 30.213 -0.942 -21.978 1.00 0.00 H new ATOM 0 HA ARG A 49 32.134 0.143 -23.791 1.00 0.00 H new ATOM 0 HB2 ARG A 49 32.354 -1.236 -21.087 1.00 0.00 H new ATOM 0 HB3 ARG A 49 33.710 -0.491 -21.910 1.00 0.00 H new ATOM 0 HG2 ARG A 49 32.690 1.721 -21.750 1.00 0.00 H new ATOM 0 HG3 ARG A 49 31.184 1.044 -21.160 1.00 0.00 H new ATOM 0 HD2 ARG A 49 32.515 2.036 -19.311 1.00 0.00 H new ATOM 0 HD3 ARG A 49 32.272 0.318 -19.068 1.00 0.00 H new ATOM 0 HE ARG A 49 34.763 0.888 -20.481 1.00 0.00 H new ATOM 0 HH11 ARG A 49 33.318 0.768 -17.238 1.00 0.00 H new ATOM 0 HH12 ARG A 49 34.868 0.457 -16.452 1.00 0.00 H new ATOM 0 HH21 ARG A 49 36.702 0.466 -19.452 1.00 0.00 H new ATOM 0 HH22 ARG A 49 36.766 0.288 -17.696 1.00 0.00 H new ATOM 783 N HIS A 50 31.893 -3.117 -23.634 1.00 0.00 N ATOM 784 CA HIS A 50 32.278 -4.376 -24.295 1.00 0.00 C ATOM 785 C HIS A 50 31.973 -4.295 -25.805 1.00 0.00 C ATOM 786 O HIS A 50 32.884 -4.352 -26.634 1.00 0.00 O ATOM 787 CB HIS A 50 31.545 -5.577 -23.632 1.00 0.00 C ATOM 788 CG HIS A 50 31.956 -6.934 -24.144 1.00 0.00 C ATOM 789 ND1 HIS A 50 32.796 -7.774 -23.447 1.00 0.00 N ATOM 790 CD2 HIS A 50 31.622 -7.603 -25.274 1.00 0.00 C ATOM 791 CE1 HIS A 50 32.964 -8.888 -24.127 1.00 0.00 C ATOM 792 NE2 HIS A 50 32.262 -8.814 -25.238 1.00 0.00 N ATOM 0 H HIS A 50 31.076 -3.204 -23.029 1.00 0.00 H new ATOM 0 HA HIS A 50 33.350 -4.532 -24.175 1.00 0.00 H new ATOM 0 HB2 HIS A 50 31.721 -5.542 -22.557 1.00 0.00 H new ATOM 0 HB3 HIS A 50 30.472 -5.457 -23.784 1.00 0.00 H new ATOM 0 HD2 HIS A 50 30.971 -7.247 -26.059 1.00 0.00 H new ATOM 0 HE1 HIS A 50 33.576 -9.724 -23.824 1.00 0.00 H new ATOM 0 HE2 HIS A 50 32.204 -9.538 -25.954 1.00 0.00 H new ATOM 801 N TRP A 51 30.683 -4.104 -26.145 1.00 0.00 N ATOM 802 CA TRP A 51 30.203 -4.132 -27.552 1.00 0.00 C ATOM 803 C TRP A 51 30.372 -2.774 -28.275 1.00 0.00 C ATOM 804 O TRP A 51 29.845 -2.596 -29.380 1.00 0.00 O ATOM 805 CB TRP A 51 28.726 -4.607 -27.593 1.00 0.00 C ATOM 806 CG TRP A 51 28.533 -6.045 -27.167 1.00 0.00 C ATOM 807 CD1 TRP A 51 28.136 -6.503 -25.941 1.00 0.00 C ATOM 808 CD2 TRP A 51 28.737 -7.210 -27.982 1.00 0.00 C ATOM 809 NE1 TRP A 51 28.071 -7.872 -25.948 1.00 0.00 N ATOM 810 CE2 TRP A 51 28.440 -8.331 -27.186 1.00 0.00 C ATOM 811 CE3 TRP A 51 29.139 -7.410 -29.309 1.00 0.00 C ATOM 812 CZ2 TRP A 51 28.531 -9.630 -27.670 1.00 0.00 C ATOM 813 CZ3 TRP A 51 29.229 -8.701 -29.790 1.00 0.00 C ATOM 814 CH2 TRP A 51 28.927 -9.800 -28.969 1.00 0.00 C ATOM 0 H TRP A 51 29.946 -3.927 -25.463 1.00 0.00 H new ATOM 0 HA TRP A 51 30.827 -4.841 -28.096 1.00 0.00 H new ATOM 0 HB2 TRP A 51 28.130 -3.964 -26.946 1.00 0.00 H new ATOM 0 HB3 TRP A 51 28.343 -4.484 -28.606 1.00 0.00 H new ATOM 0 HD1 TRP A 51 27.907 -5.877 -25.091 1.00 0.00 H new ATOM 0 HE1 TRP A 51 27.793 -8.456 -25.159 1.00 0.00 H new ATOM 0 HE3 TRP A 51 29.374 -6.569 -29.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 28.297 -10.477 -27.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 29.536 -8.868 -30.812 1.00 0.00 H new ATOM 0 HH2 TRP A 51 29.009 -10.799 -29.371 1.00 0.00 H new ATOM 825 N LYS A 52 31.104 -1.827 -27.632 1.00 0.00 N ATOM 826 CA LYS A 52 31.465 -0.495 -28.208 1.00 0.00 C ATOM 827 C LYS A 52 30.213 0.403 -28.362 1.00 0.00 C ATOM 828 O LYS A 52 30.205 1.367 -29.136 1.00 0.00 O ATOM 829 CB LYS A 52 32.242 -0.637 -29.562 1.00 0.00 C ATOM 830 CG LYS A 52 33.540 -1.504 -29.525 1.00 0.00 C ATOM 831 CD LYS A 52 34.775 -0.823 -28.861 1.00 0.00 C ATOM 832 CE LYS A 52 34.827 -0.944 -27.322 1.00 0.00 C ATOM 833 NZ LYS A 52 35.020 -2.349 -26.869 1.00 0.00 N ATOM 0 H LYS A 52 31.466 -1.964 -26.688 1.00 0.00 H new ATOM 0 HA LYS A 52 32.139 -0.007 -27.505 1.00 0.00 H new ATOM 0 HB2 LYS A 52 31.565 -1.065 -30.302 1.00 0.00 H new ATOM 0 HB3 LYS A 52 32.507 0.361 -29.911 1.00 0.00 H new ATOM 0 HG2 LYS A 52 33.325 -2.429 -28.991 1.00 0.00 H new ATOM 0 HG3 LYS A 52 33.803 -1.780 -30.546 1.00 0.00 H new ATOM 0 HD2 LYS A 52 35.682 -1.261 -29.277 1.00 0.00 H new ATOM 0 HD3 LYS A 52 34.779 0.233 -29.129 1.00 0.00 H new ATOM 0 HE2 LYS A 52 35.640 -0.327 -26.939 1.00 0.00 H new ATOM 0 HE3 LYS A 52 33.902 -0.552 -26.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 35.048 -2.378 -25.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 34.232 -2.935 -27.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 35.915 -2.717 -27.250 1.00 0.00 H new ATOM 847 N LEU A 53 29.168 0.081 -27.576 1.00 0.00 N ATOM 848 CA LEU A 53 27.912 0.846 -27.514 1.00 0.00 C ATOM 849 C LEU A 53 28.002 1.983 -26.454 1.00 0.00 C ATOM 850 O LEU A 53 27.003 2.656 -26.173 1.00 0.00 O ATOM 851 CB LEU A 53 26.731 -0.102 -27.168 1.00 0.00 C ATOM 852 CG LEU A 53 26.658 -1.454 -27.940 1.00 0.00 C ATOM 853 CD1 LEU A 53 25.501 -2.307 -27.413 1.00 0.00 C ATOM 854 CD2 LEU A 53 26.548 -1.257 -29.466 1.00 0.00 C ATOM 0 H LEU A 53 29.175 -0.730 -26.958 1.00 0.00 H new ATOM 0 HA LEU A 53 27.741 1.299 -28.490 1.00 0.00 H new ATOM 0 HB2 LEU A 53 26.776 -0.323 -26.102 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.801 0.438 -27.343 1.00 0.00 H new ATOM 0 HG LEU A 53 27.595 -1.980 -27.760 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.463 -3.248 -27.962 1.00 0.00 H new ATOM 0 HD12 LEU A 53 25.653 -2.511 -26.353 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.562 -1.770 -27.548 1.00 0.00 H new ATOM 0 HD21 LEU A 53 26.500 -2.230 -29.956 1.00 0.00 H new ATOM 0 HD22 LEU A 53 25.646 -0.690 -29.696 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.420 -0.712 -29.826 1.00 0.00 H new ATOM 866 N THR A 54 29.200 2.164 -25.856 1.00 0.00 N ATOM 867 CA THR A 54 29.460 3.197 -24.825 1.00 0.00 C ATOM 868 C THR A 54 29.587 4.624 -25.427 1.00 0.00 C ATOM 869 O THR A 54 29.595 5.621 -24.680 1.00 0.00 O ATOM 870 CB THR A 54 30.743 2.821 -24.001 1.00 0.00 C ATOM 871 OG1 THR A 54 30.981 3.758 -22.938 1.00 0.00 O ATOM 872 CG2 THR A 54 32.000 2.714 -24.887 1.00 0.00 C ATOM 0 H THR A 54 30.018 1.596 -26.075 1.00 0.00 H new ATOM 0 HA THR A 54 28.597 3.218 -24.159 1.00 0.00 H new ATOM 0 HB THR A 54 30.547 1.839 -23.571 1.00 0.00 H new ATOM 0 HG1 THR A 54 30.638 4.639 -23.195 1.00 0.00 H new ATOM 0 HG21 THR A 54 32.859 2.452 -24.269 1.00 0.00 H new ATOM 0 HG22 THR A 54 31.848 1.943 -25.643 1.00 0.00 H new ATOM 0 HG23 THR A 54 32.183 3.671 -25.376 1.00 0.00 H new ATOM 880 N GLY A 55 29.686 4.716 -26.774 1.00 0.00 N ATOM 881 CA GLY A 55 29.752 6.016 -27.475 1.00 0.00 C ATOM 882 C GLY A 55 28.368 6.637 -27.700 1.00 0.00 C ATOM 883 O GLY A 55 27.397 6.262 -27.029 1.00 0.00 O ATOM 0 H GLY A 55 29.722 3.907 -27.394 1.00 0.00 H new ATOM 0 HA2 GLY A 55 30.366 6.706 -26.896 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.246 5.881 -28.437 1.00 0.00 H new ATOM 887 N THR A 56 28.275 7.600 -28.639 1.00 0.00 N ATOM 888 CA THR A 56 26.980 8.166 -29.068 1.00 0.00 C ATOM 889 C THR A 56 26.334 7.226 -30.100 1.00 0.00 C ATOM 890 O THR A 56 26.984 6.842 -31.081 1.00 0.00 O ATOM 891 CB THR A 56 27.120 9.628 -29.642 1.00 0.00 C ATOM 892 OG1 THR A 56 25.864 10.068 -30.194 1.00 0.00 O ATOM 893 CG2 THR A 56 28.221 9.761 -30.715 1.00 0.00 C ATOM 0 H THR A 56 29.082 8.002 -29.115 1.00 0.00 H new ATOM 0 HA THR A 56 26.337 8.245 -28.191 1.00 0.00 H new ATOM 0 HB THR A 56 27.411 10.258 -28.801 1.00 0.00 H new ATOM 0 HG1 THR A 56 25.962 10.977 -30.546 1.00 0.00 H new ATOM 0 HG21 THR A 56 28.263 10.792 -31.067 1.00 0.00 H new ATOM 0 HG22 THR A 56 29.184 9.485 -30.285 1.00 0.00 H new ATOM 0 HG23 THR A 56 27.995 9.101 -31.552 1.00 0.00 H new ATOM 901 N ASN A 57 25.053 6.867 -29.858 1.00 0.00 N ATOM 902 CA ASN A 57 24.278 5.874 -30.647 1.00 0.00 C ATOM 903 C ASN A 57 24.332 6.114 -32.163 1.00 0.00 C ATOM 904 O ASN A 57 24.223 5.165 -32.939 1.00 0.00 O ATOM 905 CB ASN A 57 22.800 5.854 -30.186 1.00 0.00 C ATOM 906 CG ASN A 57 22.597 5.362 -28.755 1.00 0.00 C ATOM 907 OD1 ASN A 57 23.475 5.496 -27.897 1.00 0.00 O ATOM 908 ND2 ASN A 57 21.425 4.803 -28.483 1.00 0.00 N ATOM 0 H ASN A 57 24.514 7.268 -29.091 1.00 0.00 H new ATOM 0 HA ASN A 57 24.751 4.910 -30.459 1.00 0.00 H new ATOM 0 HB2 ASN A 57 22.390 6.860 -30.274 1.00 0.00 H new ATOM 0 HB3 ASN A 57 22.229 5.217 -30.862 1.00 0.00 H new ATOM 0 HD21 ASN A 57 21.226 4.468 -27.540 1.00 0.00 H new ATOM 0 HD22 ASN A 57 20.723 4.708 -29.217 1.00 0.00 H new ATOM 915 N LYS A 58 24.504 7.381 -32.563 1.00 0.00 N ATOM 916 CA LYS A 58 24.589 7.777 -33.976 1.00 0.00 C ATOM 917 C LYS A 58 25.890 7.242 -34.620 1.00 0.00 C ATOM 918 O LYS A 58 25.853 6.546 -35.654 1.00 0.00 O ATOM 919 CB LYS A 58 24.479 9.320 -34.091 1.00 0.00 C ATOM 920 CG LYS A 58 24.388 9.857 -35.541 1.00 0.00 C ATOM 921 CD LYS A 58 23.963 11.347 -35.614 1.00 0.00 C ATOM 922 CE LYS A 58 22.534 11.578 -35.084 1.00 0.00 C ATOM 923 NZ LYS A 58 22.092 12.995 -35.202 1.00 0.00 N ATOM 0 H LYS A 58 24.588 8.163 -31.914 1.00 0.00 H new ATOM 0 HA LYS A 58 23.758 7.334 -34.525 1.00 0.00 H new ATOM 0 HB2 LYS A 58 23.598 9.650 -33.540 1.00 0.00 H new ATOM 0 HB3 LYS A 58 25.345 9.769 -33.605 1.00 0.00 H new ATOM 0 HG2 LYS A 58 25.356 9.738 -36.027 1.00 0.00 H new ATOM 0 HG3 LYS A 58 23.673 9.254 -36.101 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.664 11.950 -35.037 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.024 11.689 -36.647 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.841 10.940 -35.633 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.487 11.274 -34.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.125 13.089 -34.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.734 13.605 -34.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.108 13.282 -36.202 1.00 0.00 H new ATOM 937 N SER A 59 27.029 7.528 -33.966 1.00 0.00 N ATOM 938 CA SER A 59 28.348 7.026 -34.401 1.00 0.00 C ATOM 939 C SER A 59 28.373 5.484 -34.372 1.00 0.00 C ATOM 940 O SER A 59 28.851 4.850 -35.314 1.00 0.00 O ATOM 941 CB SER A 59 29.477 7.590 -33.504 1.00 0.00 C ATOM 942 OG SER A 59 30.762 7.119 -33.900 1.00 0.00 O ATOM 0 H SER A 59 27.064 8.108 -33.128 1.00 0.00 H new ATOM 0 HA SER A 59 28.517 7.364 -35.423 1.00 0.00 H new ATOM 0 HB2 SER A 59 29.462 8.679 -33.545 1.00 0.00 H new ATOM 0 HB3 SER A 59 29.291 7.308 -32.468 1.00 0.00 H new ATOM 0 HG SER A 59 31.446 7.499 -33.310 1.00 0.00 H new ATOM 948 N ILE A 60 27.800 4.908 -33.299 1.00 0.00 N ATOM 949 CA ILE A 60 27.768 3.452 -33.084 1.00 0.00 C ATOM 950 C ILE A 60 27.019 2.743 -34.226 1.00 0.00 C ATOM 951 O ILE A 60 27.536 1.809 -34.800 1.00 0.00 O ATOM 952 CB ILE A 60 27.081 3.082 -31.726 1.00 0.00 C ATOM 953 CG1 ILE A 60 27.756 3.805 -30.526 1.00 0.00 C ATOM 954 CG2 ILE A 60 27.091 1.552 -31.498 1.00 0.00 C ATOM 955 CD1 ILE A 60 26.946 3.760 -29.247 1.00 0.00 C ATOM 0 H ILE A 60 27.346 5.441 -32.557 1.00 0.00 H new ATOM 0 HA ILE A 60 28.805 3.117 -33.060 1.00 0.00 H new ATOM 0 HB ILE A 60 26.047 3.421 -31.787 1.00 0.00 H new ATOM 0 HG12 ILE A 60 28.730 3.352 -30.343 1.00 0.00 H new ATOM 0 HG13 ILE A 60 27.934 4.846 -30.795 1.00 0.00 H new ATOM 0 HG21 ILE A 60 26.608 1.323 -30.548 1.00 0.00 H new ATOM 0 HG22 ILE A 60 26.552 1.060 -32.307 1.00 0.00 H new ATOM 0 HG23 ILE A 60 28.120 1.194 -31.477 1.00 0.00 H new ATOM 0 HD11 ILE A 60 27.483 4.285 -28.457 1.00 0.00 H new ATOM 0 HD12 ILE A 60 25.981 4.240 -29.410 1.00 0.00 H new ATOM 0 HD13 ILE A 60 26.790 2.723 -28.951 1.00 0.00 H new ATOM 967 N ARG A 61 25.807 3.224 -34.562 1.00 0.00 N ATOM 968 CA ARG A 61 24.951 2.590 -35.593 1.00 0.00 C ATOM 969 C ARG A 61 25.545 2.769 -37.006 1.00 0.00 C ATOM 970 O ARG A 61 25.234 1.993 -37.918 1.00 0.00 O ATOM 971 CB ARG A 61 23.500 3.143 -35.514 1.00 0.00 C ATOM 972 CG ARG A 61 23.329 4.604 -35.976 1.00 0.00 C ATOM 973 CD ARG A 61 21.998 5.231 -35.534 1.00 0.00 C ATOM 974 NE ARG A 61 21.835 6.599 -36.064 1.00 0.00 N ATOM 975 CZ ARG A 61 21.113 7.580 -35.504 1.00 0.00 C ATOM 976 NH1 ARG A 61 20.572 7.428 -34.301 1.00 0.00 N ATOM 977 NH2 ARG A 61 20.953 8.719 -36.151 1.00 0.00 N ATOM 0 H ARG A 61 25.394 4.053 -34.135 1.00 0.00 H new ATOM 0 HA ARG A 61 24.916 1.519 -35.391 1.00 0.00 H new ATOM 0 HB2 ARG A 61 22.853 2.509 -36.120 1.00 0.00 H new ATOM 0 HB3 ARG A 61 23.152 3.061 -34.484 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.152 5.201 -35.582 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.398 4.644 -37.063 1.00 0.00 H new ATOM 0 HD2 ARG A 61 21.171 4.608 -35.875 1.00 0.00 H new ATOM 0 HD3 ARG A 61 21.951 5.255 -34.445 1.00 0.00 H new ATOM 0 HE ARG A 61 22.316 6.818 -36.936 1.00 0.00 H new ATOM 0 HH11 ARG A 61 20.703 6.555 -33.789 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.025 8.184 -33.888 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.377 8.848 -37.070 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.405 9.471 -35.732 1.00 0.00 H new ATOM 991 N LYS A 62 26.385 3.813 -37.187 1.00 0.00 N ATOM 992 CA LYS A 62 27.141 4.011 -38.443 1.00 0.00 C ATOM 993 C LYS A 62 28.384 3.098 -38.517 1.00 0.00 C ATOM 994 O LYS A 62 28.783 2.672 -39.608 1.00 0.00 O ATOM 995 CB LYS A 62 27.540 5.502 -38.600 1.00 0.00 C ATOM 996 CG LYS A 62 26.366 6.511 -38.802 1.00 0.00 C ATOM 997 CD LYS A 62 25.573 6.341 -40.136 1.00 0.00 C ATOM 998 CE LYS A 62 24.475 5.254 -40.088 1.00 0.00 C ATOM 999 NZ LYS A 62 23.784 5.100 -41.387 1.00 0.00 N ATOM 0 H LYS A 62 26.556 4.529 -36.481 1.00 0.00 H new ATOM 0 HA LYS A 62 26.489 3.732 -39.271 1.00 0.00 H new ATOM 0 HB2 LYS A 62 28.101 5.802 -37.715 1.00 0.00 H new ATOM 0 HB3 LYS A 62 28.216 5.588 -39.450 1.00 0.00 H new ATOM 0 HG2 LYS A 62 25.671 6.409 -37.968 1.00 0.00 H new ATOM 0 HG3 LYS A 62 26.766 7.524 -38.761 1.00 0.00 H new ATOM 0 HD2 LYS A 62 25.113 7.294 -40.396 1.00 0.00 H new ATOM 0 HD3 LYS A 62 26.275 6.097 -40.934 1.00 0.00 H new ATOM 0 HE2 LYS A 62 24.921 4.302 -39.801 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.746 5.510 -39.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 23.057 4.361 -41.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 23.335 6.001 -41.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.474 4.830 -42.117 1.00 0.00 H new ATOM 1013 N ASN A 63 28.989 2.807 -37.356 1.00 0.00 N ATOM 1014 CA ASN A 63 30.247 2.017 -37.261 1.00 0.00 C ATOM 1015 C ASN A 63 29.967 0.511 -37.061 1.00 0.00 C ATOM 1016 O ASN A 63 30.827 -0.338 -37.341 1.00 0.00 O ATOM 1017 CB ASN A 63 31.124 2.556 -36.091 1.00 0.00 C ATOM 1018 CG ASN A 63 31.752 3.952 -36.320 1.00 0.00 C ATOM 1019 OD1 ASN A 63 31.078 4.845 -37.036 1.00 0.00 O flip ATOM 1020 ND2 ASN A 63 32.842 4.229 -35.830 1.00 0.00 N flip ATOM 0 H ASN A 63 28.628 3.108 -36.451 1.00 0.00 H new ATOM 0 HA ASN A 63 30.782 2.130 -38.204 1.00 0.00 H new ATOM 0 HB2 ASN A 63 30.513 2.595 -35.189 1.00 0.00 H new ATOM 0 HB3 ASN A 63 31.926 1.842 -35.902 1.00 0.00 H new ATOM 0 HD21 ASN A 63 33.347 3.532 -35.283 1.00 0.00 H new ATOM 0 HD22 ASN A 63 33.243 5.156 -35.970 1.00 0.00 H new ATOM 1027 N ARG A 64 28.765 0.192 -36.564 1.00 0.00 N ATOM 1028 CA ARG A 64 28.341 -1.172 -36.216 1.00 0.00 C ATOM 1029 C ARG A 64 27.035 -1.475 -36.951 1.00 0.00 C ATOM 1030 O ARG A 64 25.999 -0.845 -36.685 1.00 0.00 O ATOM 1031 CB ARG A 64 28.140 -1.325 -34.672 1.00 0.00 C ATOM 1032 CG ARG A 64 29.384 -1.002 -33.812 1.00 0.00 C ATOM 1033 CD ARG A 64 30.560 -1.956 -34.078 1.00 0.00 C ATOM 1034 NE ARG A 64 31.782 -1.568 -33.347 1.00 0.00 N ATOM 1035 CZ ARG A 64 32.841 -0.940 -33.887 1.00 0.00 C ATOM 1036 NH1 ARG A 64 32.820 -0.544 -35.161 1.00 0.00 N ATOM 1037 NH2 ARG A 64 33.902 -0.686 -33.143 1.00 0.00 N ATOM 0 H ARG A 64 28.043 0.891 -36.388 1.00 0.00 H new ATOM 0 HA ARG A 64 29.116 -1.877 -36.517 1.00 0.00 H new ATOM 0 HB2 ARG A 64 27.324 -0.673 -34.361 1.00 0.00 H new ATOM 0 HB3 ARG A 64 27.828 -2.348 -34.462 1.00 0.00 H new ATOM 0 HG2 ARG A 64 29.701 0.022 -34.011 1.00 0.00 H new ATOM 0 HG3 ARG A 64 29.113 -1.052 -32.757 1.00 0.00 H new ATOM 0 HD2 ARG A 64 30.275 -2.968 -33.790 1.00 0.00 H new ATOM 0 HD3 ARG A 64 30.772 -1.977 -35.147 1.00 0.00 H new ATOM 0 HE ARG A 64 31.827 -1.794 -32.353 1.00 0.00 H new ATOM 0 HH11 ARG A 64 31.995 -0.717 -35.735 1.00 0.00 H new ATOM 0 HH12 ARG A 64 33.629 -0.068 -35.561 1.00 0.00 H new ATOM 0 HH21 ARG A 64 33.916 -0.966 -32.162 1.00 0.00 H new ATOM 0 HH22 ARG A 64 34.707 -0.210 -33.549 1.00 0.00 H new ATOM 1051 N ASN A 65 27.103 -2.420 -37.895 1.00 0.00 N ATOM 1052 CA ASN A 65 25.933 -2.890 -38.653 1.00 0.00 C ATOM 1053 C ASN A 65 25.097 -3.872 -37.814 1.00 0.00 C ATOM 1054 O ASN A 65 25.398 -4.107 -36.635 1.00 0.00 O ATOM 1055 CB ASN A 65 26.386 -3.544 -39.993 1.00 0.00 C ATOM 1056 CG ASN A 65 27.127 -2.594 -40.953 1.00 0.00 C ATOM 1057 OD1 ASN A 65 27.966 -3.029 -41.741 1.00 0.00 O ATOM 1058 ND2 ASN A 65 26.815 -1.297 -40.924 1.00 0.00 N ATOM 0 H ASN A 65 27.973 -2.883 -38.157 1.00 0.00 H new ATOM 0 HA ASN A 65 25.303 -2.032 -38.886 1.00 0.00 H new ATOM 0 HB2 ASN A 65 27.035 -4.390 -39.768 1.00 0.00 H new ATOM 0 HB3 ASN A 65 25.508 -3.942 -40.502 1.00 0.00 H new ATOM 0 HD21 ASN A 65 27.275 -0.648 -41.562 1.00 0.00 H new ATOM 0 HD22 ASN A 65 26.117 -0.955 -40.264 1.00 0.00 H new ATOM 1065 N CYS A 66 24.050 -4.437 -38.449 1.00 0.00 N ATOM 1066 CA CYS A 66 23.102 -5.366 -37.810 1.00 0.00 C ATOM 1067 C CYS A 66 23.806 -6.487 -37.029 1.00 0.00 C ATOM 1068 O CYS A 66 23.491 -6.695 -35.869 1.00 0.00 O ATOM 1069 CB CYS A 66 22.173 -5.971 -38.876 1.00 0.00 C ATOM 1070 SG CYS A 66 23.047 -6.714 -40.267 1.00 0.00 S ATOM 0 H CYS A 66 23.839 -4.258 -39.431 1.00 0.00 H new ATOM 0 HA CYS A 66 22.521 -4.792 -37.088 1.00 0.00 H new ATOM 0 HB2 CYS A 66 21.544 -6.728 -38.408 1.00 0.00 H new ATOM 0 HB3 CYS A 66 21.509 -5.192 -39.251 1.00 0.00 H new ATOM 0 HG CYS A 66 22.186 -7.199 -41.112 1.00 0.00 H new ATOM 1076 N SER A 67 24.807 -7.130 -37.669 1.00 0.00 N ATOM 1077 CA SER A 67 25.531 -8.310 -37.128 1.00 0.00 C ATOM 1078 C SER A 67 26.001 -8.127 -35.664 1.00 0.00 C ATOM 1079 O SER A 67 25.818 -9.022 -34.831 1.00 0.00 O ATOM 1080 CB SER A 67 26.748 -8.622 -38.024 1.00 0.00 C ATOM 1081 OG SER A 67 26.353 -8.873 -39.364 1.00 0.00 O ATOM 0 H SER A 67 25.142 -6.843 -38.589 1.00 0.00 H new ATOM 0 HA SER A 67 24.824 -9.140 -37.129 1.00 0.00 H new ATOM 0 HB2 SER A 67 27.445 -7.784 -37.999 1.00 0.00 H new ATOM 0 HB3 SER A 67 27.279 -9.489 -37.631 1.00 0.00 H new ATOM 0 HG SER A 67 27.145 -9.066 -39.908 1.00 0.00 H new ATOM 1087 N GLN A 68 26.573 -6.948 -35.367 1.00 0.00 N ATOM 1088 CA GLN A 68 27.096 -6.629 -34.026 1.00 0.00 C ATOM 1089 C GLN A 68 25.967 -6.486 -33.000 1.00 0.00 C ATOM 1090 O GLN A 68 26.104 -6.914 -31.855 1.00 0.00 O ATOM 1091 CB GLN A 68 27.953 -5.335 -34.077 1.00 0.00 C ATOM 1092 CG GLN A 68 29.306 -5.475 -34.818 1.00 0.00 C ATOM 1093 CD GLN A 68 30.454 -6.111 -33.995 1.00 0.00 C ATOM 1094 OE1 GLN A 68 30.149 -6.971 -33.018 1.00 0.00 O flip ATOM 1095 NE2 GLN A 68 31.623 -5.806 -34.229 1.00 0.00 N flip ATOM 0 H GLN A 68 26.686 -6.193 -36.044 1.00 0.00 H new ATOM 0 HA GLN A 68 27.727 -7.459 -33.707 1.00 0.00 H new ATOM 0 HB2 GLN A 68 27.371 -4.550 -34.560 1.00 0.00 H new ATOM 0 HB3 GLN A 68 28.147 -5.005 -33.056 1.00 0.00 H new ATOM 0 HG2 GLN A 68 29.149 -6.075 -35.714 1.00 0.00 H new ATOM 0 HG3 GLN A 68 29.624 -4.486 -35.148 1.00 0.00 H new ATOM 0 HE21 GLN A 68 31.838 -5.148 -34.978 1.00 0.00 H new ATOM 0 HE22 GLN A 68 32.377 -6.211 -33.674 1.00 0.00 H new ATOM 1104 N LEU A 69 24.859 -5.887 -33.440 1.00 0.00 N ATOM 1105 CA LEU A 69 23.681 -5.623 -32.598 1.00 0.00 C ATOM 1106 C LEU A 69 22.846 -6.902 -32.362 1.00 0.00 C ATOM 1107 O LEU A 69 22.217 -7.041 -31.315 1.00 0.00 O ATOM 1108 CB LEU A 69 22.817 -4.509 -33.245 1.00 0.00 C ATOM 1109 CG LEU A 69 23.316 -3.039 -33.060 1.00 0.00 C ATOM 1110 CD1 LEU A 69 24.737 -2.801 -33.616 1.00 0.00 C ATOM 1111 CD2 LEU A 69 22.316 -2.064 -33.691 1.00 0.00 C ATOM 0 H LEU A 69 24.749 -5.566 -34.402 1.00 0.00 H new ATOM 0 HA LEU A 69 24.028 -5.286 -31.621 1.00 0.00 H new ATOM 0 HB2 LEU A 69 22.744 -4.712 -34.313 1.00 0.00 H new ATOM 0 HB3 LEU A 69 21.809 -4.580 -32.837 1.00 0.00 H new ATOM 0 HG LEU A 69 23.378 -2.858 -31.987 1.00 0.00 H new ATOM 0 HD11 LEU A 69 25.021 -1.761 -33.455 1.00 0.00 H new ATOM 0 HD12 LEU A 69 25.443 -3.454 -33.102 1.00 0.00 H new ATOM 0 HD13 LEU A 69 24.751 -3.020 -34.684 1.00 0.00 H new ATOM 0 HD21 LEU A 69 22.671 -1.042 -33.558 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.220 -2.279 -34.755 1.00 0.00 H new ATOM 0 HD23 LEU A 69 21.345 -2.176 -33.209 1.00 0.00 H new ATOM 1123 N ILE A 70 22.856 -7.829 -33.341 1.00 0.00 N ATOM 1124 CA ILE A 70 22.180 -9.139 -33.218 1.00 0.00 C ATOM 1125 C ILE A 70 22.929 -9.965 -32.170 1.00 0.00 C ATOM 1126 O ILE A 70 22.332 -10.509 -31.246 1.00 0.00 O ATOM 1127 CB ILE A 70 22.162 -9.929 -34.584 1.00 0.00 C ATOM 1128 CG1 ILE A 70 21.496 -9.080 -35.708 1.00 0.00 C ATOM 1129 CG2 ILE A 70 21.449 -11.302 -34.436 1.00 0.00 C ATOM 1130 CD1 ILE A 70 21.737 -9.585 -37.125 1.00 0.00 C ATOM 0 H ILE A 70 23.329 -7.693 -34.234 1.00 0.00 H new ATOM 0 HA ILE A 70 21.144 -8.967 -32.926 1.00 0.00 H new ATOM 0 HB ILE A 70 23.197 -10.121 -34.867 1.00 0.00 H new ATOM 0 HG12 ILE A 70 20.421 -9.046 -35.528 1.00 0.00 H new ATOM 0 HG13 ILE A 70 21.864 -8.056 -35.636 1.00 0.00 H new ATOM 0 HG21 ILE A 70 21.454 -11.820 -35.395 1.00 0.00 H new ATOM 0 HG22 ILE A 70 21.972 -11.906 -33.695 1.00 0.00 H new ATOM 0 HG23 ILE A 70 20.419 -11.145 -34.114 1.00 0.00 H new ATOM 0 HD11 ILE A 70 21.234 -8.929 -37.836 1.00 0.00 H new ATOM 0 HD12 ILE A 70 22.807 -9.592 -37.332 1.00 0.00 H new ATOM 0 HD13 ILE A 70 21.342 -10.596 -37.223 1.00 0.00 H new ATOM 1142 N ALA A 71 24.264 -9.995 -32.331 1.00 0.00 N ATOM 1143 CA ALA A 71 25.187 -10.671 -31.412 1.00 0.00 C ATOM 1144 C ALA A 71 25.057 -10.108 -29.990 1.00 0.00 C ATOM 1145 O ALA A 71 24.941 -10.862 -29.037 1.00 0.00 O ATOM 1146 CB ALA A 71 26.630 -10.535 -31.918 1.00 0.00 C ATOM 0 H ALA A 71 24.735 -9.543 -33.115 1.00 0.00 H new ATOM 0 HA ALA A 71 24.926 -11.729 -31.378 1.00 0.00 H new ATOM 0 HB1 ALA A 71 27.306 -11.040 -31.229 1.00 0.00 H new ATOM 0 HB2 ALA A 71 26.713 -10.988 -32.906 1.00 0.00 H new ATOM 0 HB3 ALA A 71 26.896 -9.480 -31.979 1.00 0.00 H new ATOM 1152 N ALA A 72 25.036 -8.775 -29.888 1.00 0.00 N ATOM 1153 CA ALA A 72 24.923 -8.053 -28.605 1.00 0.00 C ATOM 1154 C ALA A 72 23.582 -8.336 -27.882 1.00 0.00 C ATOM 1155 O ALA A 72 23.572 -8.615 -26.675 1.00 0.00 O ATOM 1156 CB ALA A 72 25.109 -6.549 -28.840 1.00 0.00 C ATOM 0 H ALA A 72 25.097 -8.157 -30.697 1.00 0.00 H new ATOM 0 HA ALA A 72 25.712 -8.418 -27.948 1.00 0.00 H new ATOM 0 HB1 ALA A 72 25.025 -6.019 -27.891 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.093 -6.367 -29.271 1.00 0.00 H new ATOM 0 HB3 ALA A 72 24.341 -6.190 -29.525 1.00 0.00 H new ATOM 1162 N TYR A 73 22.456 -8.278 -28.635 1.00 0.00 N ATOM 1163 CA TYR A 73 21.096 -8.476 -28.065 1.00 0.00 C ATOM 1164 C TYR A 73 20.903 -9.932 -27.609 1.00 0.00 C ATOM 1165 O TYR A 73 20.350 -10.179 -26.528 1.00 0.00 O ATOM 1166 CB TYR A 73 19.985 -8.090 -29.079 1.00 0.00 C ATOM 1167 CG TYR A 73 18.562 -8.109 -28.477 1.00 0.00 C ATOM 1168 CD1 TYR A 73 18.078 -7.014 -27.761 1.00 0.00 C ATOM 1169 CD2 TYR A 73 17.712 -9.219 -28.607 1.00 0.00 C ATOM 1170 CE1 TYR A 73 16.817 -7.020 -27.201 1.00 0.00 C ATOM 1171 CE2 TYR A 73 16.445 -9.222 -28.046 1.00 0.00 C ATOM 1172 CZ TYR A 73 16.006 -8.116 -27.343 1.00 0.00 C ATOM 1173 OH TYR A 73 14.751 -8.110 -26.775 1.00 0.00 O ATOM 0 H TYR A 73 22.461 -8.096 -29.639 1.00 0.00 H new ATOM 0 HA TYR A 73 21.011 -7.816 -27.202 1.00 0.00 H new ATOM 0 HB2 TYR A 73 20.192 -7.093 -29.469 1.00 0.00 H new ATOM 0 HB3 TYR A 73 20.022 -8.777 -29.924 1.00 0.00 H new ATOM 0 HD1 TYR A 73 18.704 -6.142 -27.642 1.00 0.00 H new ATOM 0 HD2 TYR A 73 18.052 -10.086 -29.154 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.468 -6.159 -26.650 1.00 0.00 H new ATOM 0 HE2 TYR A 73 15.804 -10.084 -28.157 1.00 0.00 H new ATOM 0 HH TYR A 73 14.192 -8.788 -27.209 1.00 0.00 H new ATOM 1183 N LYS A 74 21.356 -10.883 -28.454 1.00 0.00 N ATOM 1184 CA LYS A 74 21.354 -12.320 -28.120 1.00 0.00 C ATOM 1185 C LYS A 74 22.143 -12.548 -26.837 1.00 0.00 C ATOM 1186 O LYS A 74 21.595 -13.013 -25.859 1.00 0.00 O ATOM 1187 CB LYS A 74 21.968 -13.184 -29.254 1.00 0.00 C ATOM 1188 CG LYS A 74 21.087 -13.329 -30.498 1.00 0.00 C ATOM 1189 CD LYS A 74 21.648 -14.337 -31.525 1.00 0.00 C ATOM 1190 CE LYS A 74 23.010 -13.922 -32.092 1.00 0.00 C ATOM 1191 NZ LYS A 74 23.509 -14.887 -33.104 1.00 0.00 N ATOM 0 H LYS A 74 21.730 -10.676 -29.380 1.00 0.00 H new ATOM 0 HA LYS A 74 20.315 -12.624 -27.990 1.00 0.00 H new ATOM 0 HB2 LYS A 74 22.921 -12.746 -29.550 1.00 0.00 H new ATOM 0 HB3 LYS A 74 22.182 -14.177 -28.860 1.00 0.00 H new ATOM 0 HG2 LYS A 74 20.089 -13.646 -30.194 1.00 0.00 H new ATOM 0 HG3 LYS A 74 20.980 -12.355 -30.975 1.00 0.00 H new ATOM 0 HD2 LYS A 74 21.741 -15.315 -31.052 1.00 0.00 H new ATOM 0 HD3 LYS A 74 20.938 -14.445 -32.345 1.00 0.00 H new ATOM 0 HE2 LYS A 74 22.929 -12.933 -32.543 1.00 0.00 H new ATOM 0 HE3 LYS A 74 23.732 -13.843 -31.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 24.432 -14.569 -33.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 23.612 -15.826 -32.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 22.833 -14.944 -33.892 1.00 0.00 H new ATOM 1205 N ASP A 75 23.406 -12.108 -26.861 1.00 0.00 N ATOM 1206 CA ASP A 75 24.374 -12.285 -25.763 1.00 0.00 C ATOM 1207 C ASP A 75 23.821 -11.748 -24.432 1.00 0.00 C ATOM 1208 O ASP A 75 24.049 -12.333 -23.383 1.00 0.00 O ATOM 1209 CB ASP A 75 25.696 -11.574 -26.129 1.00 0.00 C ATOM 1210 CG ASP A 75 26.793 -11.702 -25.061 1.00 0.00 C ATOM 1211 OD1 ASP A 75 27.430 -12.778 -24.971 1.00 0.00 O ATOM 1212 OD2 ASP A 75 27.034 -10.732 -24.319 1.00 0.00 O ATOM 0 H ASP A 75 23.796 -11.608 -27.660 1.00 0.00 H new ATOM 0 HA ASP A 75 24.558 -13.351 -25.630 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.068 -11.983 -27.068 1.00 0.00 H new ATOM 0 HB3 ASP A 75 25.492 -10.517 -26.301 1.00 0.00 H new ATOM 1217 N PHE A 76 23.057 -10.651 -24.518 1.00 0.00 N ATOM 1218 CA PHE A 76 22.419 -10.004 -23.361 1.00 0.00 C ATOM 1219 C PHE A 76 21.272 -10.872 -22.776 1.00 0.00 C ATOM 1220 O PHE A 76 21.235 -11.169 -21.557 1.00 0.00 O ATOM 1221 CB PHE A 76 21.894 -8.610 -23.800 1.00 0.00 C ATOM 1222 CG PHE A 76 21.399 -7.747 -22.655 1.00 0.00 C ATOM 1223 CD1 PHE A 76 22.177 -7.599 -21.510 1.00 0.00 C ATOM 1224 CD2 PHE A 76 20.163 -7.104 -22.707 1.00 0.00 C ATOM 1225 CE1 PHE A 76 21.740 -6.841 -20.459 1.00 0.00 C ATOM 1226 CE2 PHE A 76 19.730 -6.334 -21.648 1.00 0.00 C ATOM 1227 CZ PHE A 76 20.518 -6.210 -20.521 1.00 0.00 C ATOM 0 H PHE A 76 22.862 -10.182 -25.402 1.00 0.00 H new ATOM 0 HA PHE A 76 23.157 -9.888 -22.567 1.00 0.00 H new ATOM 0 HB2 PHE A 76 22.692 -8.081 -24.321 1.00 0.00 H new ATOM 0 HB3 PHE A 76 21.082 -8.748 -24.515 1.00 0.00 H new ATOM 0 HD1 PHE A 76 23.138 -8.089 -21.451 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.540 -7.210 -23.583 1.00 0.00 H new ATOM 0 HE1 PHE A 76 22.355 -6.737 -19.578 1.00 0.00 H new ATOM 0 HE2 PHE A 76 18.777 -5.829 -21.700 1.00 0.00 H new ATOM 0 HZ PHE A 76 20.175 -5.617 -19.686 1.00 0.00 H new ATOM 1237 N CYS A 77 20.357 -11.289 -23.664 1.00 0.00 N ATOM 1238 CA CYS A 77 19.174 -12.095 -23.296 1.00 0.00 C ATOM 1239 C CYS A 77 19.581 -13.515 -22.846 1.00 0.00 C ATOM 1240 O CYS A 77 18.904 -14.133 -22.022 1.00 0.00 O ATOM 1241 CB CYS A 77 18.193 -12.156 -24.485 1.00 0.00 C ATOM 1242 SG CYS A 77 16.650 -13.029 -24.133 1.00 0.00 S ATOM 0 H CYS A 77 20.413 -11.079 -24.660 1.00 0.00 H new ATOM 0 HA CYS A 77 18.678 -11.616 -22.452 1.00 0.00 H new ATOM 0 HB2 CYS A 77 17.958 -11.139 -24.799 1.00 0.00 H new ATOM 0 HB3 CYS A 77 18.689 -12.643 -25.325 1.00 0.00 H new ATOM 0 HG CYS A 77 16.835 -13.858 -23.149 1.00 0.00 H new ATOM 1248 N GLU A 78 20.710 -13.997 -23.376 1.00 0.00 N ATOM 1249 CA GLU A 78 21.293 -15.304 -23.031 1.00 0.00 C ATOM 1250 C GLU A 78 22.123 -15.191 -21.741 1.00 0.00 C ATOM 1251 O GLU A 78 22.252 -16.167 -20.997 1.00 0.00 O ATOM 1252 CB GLU A 78 22.183 -15.818 -24.191 1.00 0.00 C ATOM 1253 CG GLU A 78 21.439 -16.070 -25.518 1.00 0.00 C ATOM 1254 CD GLU A 78 20.451 -17.248 -25.473 1.00 0.00 C ATOM 1255 OE1 GLU A 78 20.895 -18.411 -25.613 1.00 0.00 O ATOM 1256 OE2 GLU A 78 19.231 -17.026 -25.303 1.00 0.00 O ATOM 0 H GLU A 78 21.256 -13.484 -24.068 1.00 0.00 H new ATOM 0 HA GLU A 78 20.483 -16.015 -22.868 1.00 0.00 H new ATOM 0 HB2 GLU A 78 22.977 -15.093 -24.369 1.00 0.00 H new ATOM 0 HB3 GLU A 78 22.662 -16.746 -23.878 1.00 0.00 H new ATOM 0 HG2 GLU A 78 20.897 -15.166 -25.795 1.00 0.00 H new ATOM 0 HG3 GLU A 78 22.172 -16.255 -26.303 1.00 0.00 H new ATOM 1263 N HIS A 79 22.682 -13.982 -21.493 1.00 0.00 N ATOM 1264 CA HIS A 79 23.432 -13.674 -20.250 1.00 0.00 C ATOM 1265 C HIS A 79 22.483 -13.751 -19.047 1.00 0.00 C ATOM 1266 O HIS A 79 22.893 -14.144 -17.946 1.00 0.00 O ATOM 1267 CB HIS A 79 24.096 -12.265 -20.322 1.00 0.00 C ATOM 1268 CG HIS A 79 25.107 -11.975 -19.233 1.00 0.00 C ATOM 1269 ND1 HIS A 79 26.465 -12.145 -19.414 1.00 0.00 N ATOM 1270 CD2 HIS A 79 24.960 -11.522 -17.962 1.00 0.00 C ATOM 1271 CE1 HIS A 79 27.105 -11.822 -18.310 1.00 0.00 C ATOM 1272 NE2 HIS A 79 26.217 -11.437 -17.416 1.00 0.00 N ATOM 0 H HIS A 79 22.627 -13.198 -22.143 1.00 0.00 H new ATOM 0 HA HIS A 79 24.228 -14.410 -20.136 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.587 -12.161 -21.289 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.312 -11.509 -20.280 1.00 0.00 H new ATOM 0 HD2 HIS A 79 24.030 -11.275 -17.472 1.00 0.00 H new ATOM 0 HE1 HIS A 79 28.174 -11.865 -18.162 1.00 0.00 H new ATOM 0 HE2 HIS A 79 26.430 -11.125 -16.468 1.00 0.00 H new ATOM 1281 N GLY A 80 21.211 -13.371 -19.274 1.00 0.00 N ATOM 1282 CA GLY A 80 20.175 -13.553 -18.256 1.00 0.00 C ATOM 1283 C GLY A 80 20.119 -12.386 -17.290 1.00 0.00 C ATOM 1284 O GLY A 80 20.082 -12.585 -16.070 1.00 0.00 O ATOM 0 H GLY A 80 20.886 -12.943 -20.141 1.00 0.00 H new ATOM 0 HA2 GLY A 80 19.206 -13.669 -18.741 1.00 0.00 H new ATOM 0 HA3 GLY A 80 20.367 -14.473 -17.703 1.00 0.00 H new ATOM 1288 N THR A 81 20.208 -11.172 -17.858 1.00 0.00 N ATOM 1289 CA THR A 81 20.176 -9.895 -17.121 1.00 0.00 C ATOM 1290 C THR A 81 19.077 -9.833 -16.038 1.00 0.00 C ATOM 1291 O THR A 81 17.943 -10.294 -16.237 1.00 0.00 O ATOM 1292 CB THR A 81 19.980 -8.707 -18.101 1.00 0.00 C ATOM 1293 OG1 THR A 81 19.939 -7.463 -17.380 1.00 0.00 O ATOM 1294 CG2 THR A 81 18.711 -8.845 -18.957 1.00 0.00 C ATOM 0 H THR A 81 20.307 -11.047 -18.865 1.00 0.00 H new ATOM 0 HA THR A 81 21.138 -9.824 -16.614 1.00 0.00 H new ATOM 0 HB THR A 81 20.835 -8.719 -18.777 1.00 0.00 H new ATOM 0 HG1 THR A 81 20.085 -6.720 -18.002 1.00 0.00 H new ATOM 0 HG21 THR A 81 18.626 -7.986 -19.623 1.00 0.00 H new ATOM 0 HG22 THR A 81 18.769 -9.759 -19.549 1.00 0.00 H new ATOM 0 HG23 THR A 81 17.837 -8.888 -18.307 1.00 0.00 H new ATOM 1302 N LYS A 82 19.439 -9.248 -14.890 1.00 0.00 N ATOM 1303 CA LYS A 82 18.542 -9.113 -13.734 1.00 0.00 C ATOM 1304 C LYS A 82 17.899 -7.709 -13.727 1.00 0.00 C ATOM 1305 O LYS A 82 17.460 -7.218 -12.677 1.00 0.00 O ATOM 1306 CB LYS A 82 19.334 -9.398 -12.422 1.00 0.00 C ATOM 1307 CG LYS A 82 20.200 -10.689 -12.447 1.00 0.00 C ATOM 1308 CD LYS A 82 19.385 -11.993 -12.665 1.00 0.00 C ATOM 1309 CE LYS A 82 18.393 -12.287 -11.526 1.00 0.00 C ATOM 1310 NZ LYS A 82 17.688 -13.579 -11.729 1.00 0.00 N ATOM 0 H LYS A 82 20.367 -8.853 -14.735 1.00 0.00 H new ATOM 0 HA LYS A 82 17.735 -9.842 -13.802 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.983 -8.547 -12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.626 -9.469 -11.596 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.943 -10.600 -13.240 1.00 0.00 H new ATOM 0 HG3 LYS A 82 20.745 -10.767 -11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 82 18.837 -11.918 -13.604 1.00 0.00 H new ATOM 0 HD3 LYS A 82 20.074 -12.832 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 82 18.927 -12.309 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.663 -11.480 -11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.029 -13.742 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.158 -13.549 -12.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.383 -14.352 -11.764 1.00 0.00 H new ATOM 1324 N SER A 83 17.812 -7.089 -14.927 1.00 0.00 N ATOM 1325 CA SER A 83 17.175 -5.784 -15.130 1.00 0.00 C ATOM 1326 C SER A 83 15.652 -5.963 -15.301 1.00 0.00 C ATOM 1327 O SER A 83 15.072 -5.641 -16.346 1.00 0.00 O ATOM 1328 CB SER A 83 17.810 -5.069 -16.349 1.00 0.00 C ATOM 1329 OG SER A 83 17.280 -3.760 -16.524 1.00 0.00 O ATOM 0 H SER A 83 18.189 -7.492 -15.785 1.00 0.00 H new ATOM 0 HA SER A 83 17.340 -5.156 -14.254 1.00 0.00 H new ATOM 0 HB2 SER A 83 18.890 -5.010 -16.215 1.00 0.00 H new ATOM 0 HB3 SER A 83 17.633 -5.657 -17.249 1.00 0.00 H new ATOM 0 HG SER A 83 16.791 -3.716 -17.372 1.00 0.00 H new ATOM 1335 N GLY A 84 15.024 -6.538 -14.262 1.00 0.00 N ATOM 1336 CA GLY A 84 13.580 -6.789 -14.237 1.00 0.00 C ATOM 1337 C GLY A 84 13.151 -8.063 -14.979 1.00 0.00 C ATOM 1338 O GLY A 84 12.113 -8.647 -14.640 1.00 0.00 O ATOM 0 H GLY A 84 15.507 -6.841 -13.416 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.252 -6.858 -13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.066 -5.935 -14.678 1.00 0.00 H new ATOM 1342 N LEU A 85 13.935 -8.477 -16.009 1.00 0.00 N ATOM 1343 CA LEU A 85 13.617 -9.634 -16.876 1.00 0.00 C ATOM 1344 C LEU A 85 13.630 -10.949 -16.076 1.00 0.00 C ATOM 1345 O LEU A 85 14.670 -11.598 -15.938 1.00 0.00 O ATOM 1346 CB LEU A 85 14.590 -9.708 -18.101 1.00 0.00 C ATOM 1347 CG LEU A 85 14.326 -8.692 -19.268 1.00 0.00 C ATOM 1348 CD1 LEU A 85 15.409 -8.789 -20.367 1.00 0.00 C ATOM 1349 CD2 LEU A 85 12.921 -8.888 -19.884 1.00 0.00 C ATOM 0 H LEU A 85 14.808 -8.013 -16.259 1.00 0.00 H new ATOM 0 HA LEU A 85 12.608 -9.491 -17.262 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.607 -9.555 -17.739 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.546 -10.717 -18.511 1.00 0.00 H new ATOM 0 HG LEU A 85 14.373 -7.694 -18.832 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.191 -8.070 -21.157 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.386 -8.569 -19.936 1.00 0.00 H new ATOM 0 HD13 LEU A 85 15.415 -9.796 -20.784 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.773 -8.168 -20.689 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.836 -9.899 -20.282 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.163 -8.735 -19.116 1.00 0.00 H new ATOM 1361 N ASN A 86 12.460 -11.290 -15.521 1.00 0.00 N ATOM 1362 CA ASN A 86 12.210 -12.567 -14.840 1.00 0.00 C ATOM 1363 C ASN A 86 11.222 -13.370 -15.700 1.00 0.00 C ATOM 1364 O ASN A 86 10.001 -13.311 -15.498 1.00 0.00 O ATOM 1365 CB ASN A 86 11.674 -12.316 -13.397 1.00 0.00 C ATOM 1366 CG ASN A 86 11.481 -13.598 -12.574 1.00 0.00 C ATOM 1367 OD1 ASN A 86 12.184 -14.590 -12.771 1.00 0.00 O ATOM 1368 ND2 ASN A 86 10.536 -13.578 -11.642 1.00 0.00 N ATOM 0 H ASN A 86 11.646 -10.675 -15.533 1.00 0.00 H new ATOM 0 HA ASN A 86 13.131 -13.140 -14.729 1.00 0.00 H new ATOM 0 HB2 ASN A 86 12.367 -11.659 -12.871 1.00 0.00 H new ATOM 0 HB3 ASN A 86 10.722 -11.789 -13.460 1.00 0.00 H new ATOM 0 HD21 ASN A 86 10.374 -14.401 -11.062 1.00 0.00 H new ATOM 0 HD22 ASN A 86 9.972 -12.739 -11.506 1.00 0.00 H new ATOM 1375 N GLN A 87 11.772 -14.050 -16.719 1.00 0.00 N ATOM 1376 CA GLN A 87 10.987 -14.794 -17.712 1.00 0.00 C ATOM 1377 C GLN A 87 10.571 -16.148 -17.109 1.00 0.00 C ATOM 1378 O GLN A 87 11.419 -16.888 -16.597 1.00 0.00 O ATOM 1379 CB GLN A 87 11.822 -14.975 -19.032 1.00 0.00 C ATOM 1380 CG GLN A 87 10.999 -15.076 -20.347 1.00 0.00 C ATOM 1381 CD GLN A 87 10.119 -16.327 -20.481 1.00 0.00 C ATOM 1382 OE1 GLN A 87 10.459 -17.399 -19.980 1.00 0.00 O ATOM 1383 NE2 GLN A 87 8.979 -16.193 -21.148 1.00 0.00 N ATOM 0 H GLN A 87 12.779 -14.098 -16.876 1.00 0.00 H new ATOM 0 HA GLN A 87 10.085 -14.240 -17.971 1.00 0.00 H new ATOM 0 HB2 GLN A 87 12.511 -14.135 -19.121 1.00 0.00 H new ATOM 0 HB3 GLN A 87 12.428 -15.876 -18.935 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.362 -14.195 -20.425 1.00 0.00 H new ATOM 0 HG3 GLN A 87 11.689 -15.046 -21.190 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.727 -15.291 -21.551 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.355 -16.993 -21.257 1.00 0.00 H new ATOM 1392 N GLY A 88 9.268 -16.460 -17.194 1.00 0.00 N ATOM 1393 CA GLY A 88 8.717 -17.697 -16.649 1.00 0.00 C ATOM 1394 C GLY A 88 8.293 -17.529 -15.189 1.00 0.00 C ATOM 1395 O GLY A 88 9.129 -17.750 -14.290 1.00 0.00 O ATOM 1396 OXT GLY A 88 7.129 -17.157 -14.935 1.00 0.00 O ATOM 0 H GLY A 88 8.575 -15.860 -17.642 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.858 -18.007 -17.245 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.460 -18.491 -16.724 1.00 0.00 H new TER 1400 GLY A 88