USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 758 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 75 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 38 TYR OH : rot 165:sc= -1.01 USER MOD Set 2.2: A 40 SER OG : rot 174:sc= 0.14 USER MOD Set 3.1: A 35 GLN : amide:sc= -4.22! C(o=-4.2!,f=-6.2!) USER MOD Set 3.2: A 76 THR OG1 : rot -68:sc= -0.011 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0679 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 60:sc= 1.07 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -147:sc= -0.765 (180deg=-2.34!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= -0.0418 (180deg=-0.265) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -30:sc= 0.129 USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= 1.29 (180deg=-0.453) USER MOD Single : A 30 ASN : amide:sc= -3.06! C(o=-3.1!,f=-3.1!) USER MOD Single : A 31 LYS NZ :NH3+ -120:sc= -0.736 (180deg=-4.46!) USER MOD Single : A 33 THR OG1 : rot 157:sc= 0.552 USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= -0.339 (180deg=-1.76!) USER MOD Single : A 42 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.9!) USER MOD Single : A 43 ASN : amide:sc= -0.0812 K(o=-0.081,f=-2.1!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.433 X(o=-0.43,f=-0.012) USER MOD Single : A 47 ASN : amide:sc= 0.127 K(o=0.13,f=-3.2!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 73:sc= 0.427 USER MOD Single : A 63 ASN : amide:sc= -2.01! X(o=-2!,f=-2.1) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -4.49! C(o=-4.5!,f=-6.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.7!) USER MOD Single : A 74 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot -146:sc= 1.02 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.466 -14.318 4.442 1.00 0.00 N ATOM 2 CA GLY A 1 -9.797 -13.974 4.907 1.00 0.00 C ATOM 3 C GLY A 1 -9.886 -13.916 6.419 1.00 0.00 C ATOM 4 O GLY A 1 -8.883 -14.081 7.113 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.043 -13.498 3.962 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.874 -14.588 5.253 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.526 -15.115 3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.085 -13.008 4.492 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.510 -14.708 4.532 1.00 0.00 H new ATOM 8 N SER A 2 -11.089 -13.680 6.931 1.00 0.00 N ATOM 9 CA SER A 2 -11.304 -13.595 8.371 1.00 0.00 C ATOM 10 C SER A 2 -10.432 -14.605 9.111 1.00 0.00 C ATOM 11 O SER A 2 -9.727 -14.257 10.057 1.00 0.00 O ATOM 12 CB SER A 2 -12.778 -13.837 8.703 1.00 0.00 C ATOM 13 OG SER A 2 -13.559 -12.688 8.426 1.00 0.00 O ATOM 0 H SER A 2 -11.930 -13.544 6.370 1.00 0.00 H new ATOM 0 HA SER A 2 -11.025 -12.593 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.150 -14.682 8.124 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.878 -14.103 9.755 1.00 0.00 H new ATOM 0 HG SER A 2 -14.497 -12.869 8.645 1.00 0.00 H new ATOM 19 N SER A 3 -10.487 -15.859 8.671 1.00 0.00 N ATOM 20 CA SER A 3 -9.705 -16.921 9.293 1.00 0.00 C ATOM 21 C SER A 3 -8.230 -16.541 9.363 1.00 0.00 C ATOM 22 O SER A 3 -7.606 -16.620 10.421 1.00 0.00 O ATOM 23 CB SER A 3 -9.870 -18.227 8.513 1.00 0.00 C ATOM 24 OG SER A 3 -11.020 -18.936 8.942 1.00 0.00 O ATOM 0 H SER A 3 -11.064 -16.164 7.887 1.00 0.00 H new ATOM 0 HA SER A 3 -10.074 -17.062 10.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.949 -18.010 7.448 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.985 -18.849 8.647 1.00 0.00 H new ATOM 0 HG SER A 3 -11.104 -19.766 8.427 1.00 0.00 H new ATOM 30 N GLY A 4 -7.677 -16.126 8.227 1.00 0.00 N ATOM 31 CA GLY A 4 -6.279 -15.739 8.180 1.00 0.00 C ATOM 32 C GLY A 4 -5.724 -15.742 6.769 1.00 0.00 C ATOM 33 O GLY A 4 -5.906 -16.706 6.025 1.00 0.00 O ATOM 0 H GLY A 4 -8.172 -16.051 7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.166 -14.744 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.695 -16.421 8.798 1.00 0.00 H new ATOM 37 N SER A 5 -5.046 -14.660 6.400 1.00 0.00 N ATOM 38 CA SER A 5 -4.467 -14.539 5.067 1.00 0.00 C ATOM 39 C SER A 5 -3.449 -15.647 4.814 1.00 0.00 C ATOM 40 O SER A 5 -2.647 -15.979 5.687 1.00 0.00 O ATOM 41 CB SER A 5 -3.802 -13.171 4.899 1.00 0.00 C ATOM 42 OG SER A 5 -3.331 -12.993 3.575 1.00 0.00 O ATOM 0 H SER A 5 -4.884 -13.855 7.005 1.00 0.00 H new ATOM 0 HA SER A 5 -5.272 -14.636 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.515 -12.384 5.144 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.972 -13.078 5.599 1.00 0.00 H new ATOM 0 HG SER A 5 -4.082 -13.061 2.949 1.00 0.00 H new ATOM 48 N SER A 6 -3.489 -16.215 3.613 1.00 0.00 N ATOM 49 CA SER A 6 -2.573 -17.288 3.245 1.00 0.00 C ATOM 50 C SER A 6 -1.145 -16.764 3.117 1.00 0.00 C ATOM 51 O SER A 6 -0.789 -16.138 2.119 1.00 0.00 O ATOM 52 CB SER A 6 -3.012 -17.932 1.928 1.00 0.00 C ATOM 53 OG SER A 6 -4.231 -18.637 2.087 1.00 0.00 O ATOM 0 H SER A 6 -4.146 -15.950 2.879 1.00 0.00 H new ATOM 0 HA SER A 6 -2.596 -18.039 4.035 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.130 -17.163 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.237 -18.613 1.577 1.00 0.00 H new ATOM 0 HG SER A 6 -4.491 -19.038 1.231 1.00 0.00 H new ATOM 59 N GLY A 7 -0.332 -17.026 4.135 1.00 0.00 N ATOM 60 CA GLY A 7 1.047 -16.574 4.118 1.00 0.00 C ATOM 61 C GLY A 7 1.726 -16.833 2.787 1.00 0.00 C ATOM 62 O GLY A 7 1.461 -17.842 2.132 1.00 0.00 O ATOM 0 H GLY A 7 -0.603 -17.543 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.079 -15.507 4.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.601 -17.079 4.909 1.00 0.00 H new ATOM 66 N LYS A 8 2.602 -15.919 2.384 1.00 0.00 N ATOM 67 CA LYS A 8 3.320 -16.051 1.122 1.00 0.00 C ATOM 68 C LYS A 8 4.517 -15.106 1.076 1.00 0.00 C ATOM 69 O LYS A 8 4.355 -13.886 1.057 1.00 0.00 O ATOM 70 CB LYS A 8 2.384 -15.765 -0.054 1.00 0.00 C ATOM 71 CG LYS A 8 1.644 -16.993 -0.555 1.00 0.00 C ATOM 72 CD LYS A 8 1.112 -16.787 -1.963 1.00 0.00 C ATOM 73 CE LYS A 8 2.176 -17.080 -3.010 1.00 0.00 C ATOM 74 NZ LYS A 8 3.071 -15.910 -3.234 1.00 0.00 N ATOM 0 H LYS A 8 2.832 -15.078 2.914 1.00 0.00 H new ATOM 0 HA LYS A 8 3.685 -17.075 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.657 -15.010 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.964 -15.341 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.313 -17.853 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.817 -17.220 0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.251 -17.436 -2.126 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.763 -15.760 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.771 -17.937 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.696 -17.355 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.373 -15.890 -4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.559 -15.033 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.907 -15.989 -2.620 1.00 0.00 H new ATOM 88 N ALA A 9 5.716 -15.678 1.055 1.00 0.00 N ATOM 89 CA ALA A 9 6.939 -14.886 1.007 1.00 0.00 C ATOM 90 C ALA A 9 6.744 -13.626 0.170 1.00 0.00 C ATOM 91 O ALA A 9 7.012 -12.516 0.629 1.00 0.00 O ATOM 92 CB ALA A 9 8.085 -15.718 0.452 1.00 0.00 C ATOM 0 H ALA A 9 5.867 -16.687 1.070 1.00 0.00 H new ATOM 0 HA ALA A 9 7.185 -14.581 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.992 -15.114 0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.248 -16.585 1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.838 -16.052 -0.556 1.00 0.00 H new ATOM 98 N PHE A 10 6.277 -13.805 -1.061 1.00 0.00 N ATOM 99 CA PHE A 10 6.048 -12.683 -1.963 1.00 0.00 C ATOM 100 C PHE A 10 5.447 -11.497 -1.214 1.00 0.00 C ATOM 101 O PHE A 10 5.941 -10.372 -1.310 1.00 0.00 O ATOM 102 CB PHE A 10 5.122 -13.101 -3.107 1.00 0.00 C ATOM 103 CG PHE A 10 4.915 -12.025 -4.134 1.00 0.00 C ATOM 104 CD1 PHE A 10 4.236 -10.861 -3.811 1.00 0.00 C ATOM 105 CD2 PHE A 10 5.398 -12.178 -5.424 1.00 0.00 C ATOM 106 CE1 PHE A 10 4.044 -9.869 -4.754 1.00 0.00 C ATOM 107 CE2 PHE A 10 5.210 -11.189 -6.371 1.00 0.00 C ATOM 108 CZ PHE A 10 4.531 -10.033 -6.036 1.00 0.00 C ATOM 0 H PHE A 10 6.050 -14.717 -1.457 1.00 0.00 H new ATOM 0 HA PHE A 10 7.010 -12.379 -2.376 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.536 -13.983 -3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.155 -13.389 -2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.852 -10.727 -2.810 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.927 -13.080 -5.692 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.514 -8.966 -4.489 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.594 -11.320 -7.372 1.00 0.00 H new ATOM 0 HZ PHE A 10 4.382 -9.260 -6.775 1.00 0.00 H new ATOM 118 N LEU A 11 4.379 -11.756 -0.469 1.00 0.00 N ATOM 119 CA LEU A 11 3.708 -10.711 0.297 1.00 0.00 C ATOM 120 C LEU A 11 4.467 -10.408 1.585 1.00 0.00 C ATOM 121 O LEU A 11 4.705 -9.248 1.918 1.00 0.00 O ATOM 122 CB LEU A 11 2.274 -11.130 0.623 1.00 0.00 C ATOM 123 CG LEU A 11 1.290 -11.123 -0.548 1.00 0.00 C ATOM 124 CD1 LEU A 11 0.082 -11.993 -0.235 1.00 0.00 C ATOM 125 CD2 LEU A 11 0.856 -9.700 -0.870 1.00 0.00 C ATOM 0 H LEU A 11 3.958 -12.681 -0.379 1.00 0.00 H new ATOM 0 HA LEU A 11 3.686 -9.807 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.297 -12.134 1.046 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.890 -10.467 1.398 1.00 0.00 H new ATOM 0 HG LEU A 11 1.792 -11.536 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.607 -11.976 -1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.408 -13.017 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.422 -11.610 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.156 -9.713 -1.705 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.372 -9.261 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.729 -9.105 -1.138 1.00 0.00 H new ATOM 137 N GLU A 12 4.846 -11.460 2.304 1.00 0.00 N ATOM 138 CA GLU A 12 5.579 -11.306 3.555 1.00 0.00 C ATOM 139 C GLU A 12 6.579 -10.157 3.461 1.00 0.00 C ATOM 140 O GLU A 12 6.541 -9.221 4.261 1.00 0.00 O ATOM 141 CB GLU A 12 6.309 -12.604 3.907 1.00 0.00 C ATOM 142 CG GLU A 12 5.376 -13.773 4.176 1.00 0.00 C ATOM 143 CD GLU A 12 4.377 -13.480 5.279 1.00 0.00 C ATOM 144 OE1 GLU A 12 4.808 -13.286 6.435 1.00 0.00 O ATOM 145 OE2 GLU A 12 3.163 -13.446 4.986 1.00 0.00 O ATOM 0 H GLU A 12 4.658 -12.428 2.042 1.00 0.00 H new ATOM 0 HA GLU A 12 4.860 -11.077 4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.980 -12.867 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.929 -12.435 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.839 -14.022 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.966 -14.649 4.448 1.00 0.00 H new ATOM 152 N ASP A 13 7.471 -10.236 2.481 1.00 0.00 N ATOM 153 CA ASP A 13 8.481 -9.203 2.281 1.00 0.00 C ATOM 154 C ASP A 13 7.830 -7.841 2.060 1.00 0.00 C ATOM 155 O ASP A 13 8.049 -6.906 2.829 1.00 0.00 O ATOM 156 CB ASP A 13 9.373 -9.555 1.090 1.00 0.00 C ATOM 157 CG ASP A 13 10.569 -8.631 0.969 1.00 0.00 C ATOM 158 OD1 ASP A 13 11.348 -8.539 1.941 1.00 0.00 O ATOM 159 OD2 ASP A 13 10.727 -8.002 -0.097 1.00 0.00 O ATOM 0 H ASP A 13 7.516 -11.005 1.812 1.00 0.00 H new ATOM 0 HA ASP A 13 9.094 -9.151 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.721 -10.583 1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.786 -9.506 0.173 1.00 0.00 H new ATOM 164 N MET A 14 7.030 -7.739 1.004 1.00 0.00 N ATOM 165 CA MET A 14 6.347 -6.491 0.682 1.00 0.00 C ATOM 166 C MET A 14 5.842 -5.805 1.948 1.00 0.00 C ATOM 167 O MET A 14 6.189 -4.656 2.224 1.00 0.00 O ATOM 168 CB MET A 14 5.178 -6.756 -0.269 1.00 0.00 C ATOM 169 CG MET A 14 4.341 -5.521 -0.562 1.00 0.00 C ATOM 170 SD MET A 14 2.694 -5.926 -1.173 1.00 0.00 S ATOM 171 CE MET A 14 1.835 -6.259 0.363 1.00 0.00 C ATOM 0 H MET A 14 6.839 -8.504 0.357 1.00 0.00 H new ATOM 0 HA MET A 14 7.062 -5.830 0.193 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.566 -7.153 -1.207 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.537 -7.525 0.162 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.251 -4.924 0.346 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.856 -4.904 -1.299 1.00 0.00 H new ATOM 0 HE1 MET A 14 0.800 -6.525 0.151 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.323 -7.085 0.881 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.859 -5.370 0.994 1.00 0.00 H new ATOM 181 N LYS A 15 5.023 -6.516 2.714 1.00 0.00 N ATOM 182 CA LYS A 15 4.471 -5.977 3.951 1.00 0.00 C ATOM 183 C LYS A 15 5.527 -5.188 4.720 1.00 0.00 C ATOM 184 O LYS A 15 5.318 -4.025 5.067 1.00 0.00 O ATOM 185 CB LYS A 15 3.926 -7.108 4.827 1.00 0.00 C ATOM 186 CG LYS A 15 2.861 -7.947 4.143 1.00 0.00 C ATOM 187 CD LYS A 15 2.610 -9.246 4.890 1.00 0.00 C ATOM 188 CE LYS A 15 1.989 -8.994 6.255 1.00 0.00 C ATOM 189 NZ LYS A 15 1.349 -10.219 6.808 1.00 0.00 N ATOM 0 H LYS A 15 4.726 -7.468 2.500 1.00 0.00 H new ATOM 0 HA LYS A 15 3.656 -5.302 3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 15 4.751 -7.755 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.510 -6.681 5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.934 -7.378 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.171 -8.168 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.950 -9.884 4.301 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.550 -9.785 5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.757 -8.643 6.944 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.246 -8.201 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.938 -10.006 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.599 -10.540 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.063 -10.968 6.909 1.00 0.00 H new ATOM 203 N LYS A 16 6.662 -5.827 4.981 1.00 0.00 N ATOM 204 CA LYS A 16 7.752 -5.186 5.706 1.00 0.00 C ATOM 205 C LYS A 16 8.208 -3.917 4.992 1.00 0.00 C ATOM 206 O LYS A 16 8.052 -2.811 5.511 1.00 0.00 O ATOM 207 CB LYS A 16 8.931 -6.151 5.855 1.00 0.00 C ATOM 208 CG LYS A 16 9.815 -5.850 7.052 1.00 0.00 C ATOM 209 CD LYS A 16 11.254 -6.272 6.803 1.00 0.00 C ATOM 210 CE LYS A 16 12.101 -6.131 8.058 1.00 0.00 C ATOM 211 NZ LYS A 16 11.674 -7.078 9.125 1.00 0.00 N ATOM 0 H LYS A 16 6.851 -6.789 4.701 1.00 0.00 H new ATOM 0 HA LYS A 16 7.386 -4.914 6.696 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.549 -7.168 5.943 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.536 -6.115 4.949 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.781 -4.783 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.429 -6.369 7.930 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.277 -7.307 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.680 -5.664 6.005 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.148 -6.310 7.812 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.031 -5.109 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.421 -7.149 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.799 -6.731 9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.504 -8.016 8.709 1.00 0.00 H new ATOM 225 N TYR A 17 8.769 -4.084 3.800 1.00 0.00 N ATOM 226 CA TYR A 17 9.248 -2.952 3.015 1.00 0.00 C ATOM 227 C TYR A 17 8.214 -1.830 2.991 1.00 0.00 C ATOM 228 O TYR A 17 8.453 -0.739 3.508 1.00 0.00 O ATOM 229 CB TYR A 17 9.570 -3.394 1.587 1.00 0.00 C ATOM 230 CG TYR A 17 9.613 -2.254 0.595 1.00 0.00 C ATOM 231 CD1 TYR A 17 10.776 -1.518 0.403 1.00 0.00 C ATOM 232 CD2 TYR A 17 8.491 -1.912 -0.150 1.00 0.00 C ATOM 233 CE1 TYR A 17 10.820 -0.475 -0.502 1.00 0.00 C ATOM 234 CE2 TYR A 17 8.527 -0.872 -1.058 1.00 0.00 C ATOM 235 CZ TYR A 17 9.693 -0.156 -1.230 1.00 0.00 C ATOM 236 OH TYR A 17 9.732 0.882 -2.132 1.00 0.00 O ATOM 0 H TYR A 17 8.903 -4.992 3.356 1.00 0.00 H new ATOM 0 HA TYR A 17 10.156 -2.575 3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.533 -3.905 1.582 1.00 0.00 H new ATOM 0 HB3 TYR A 17 8.823 -4.119 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.661 -1.766 0.971 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.575 -2.469 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 17 11.732 0.087 -0.639 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.646 -0.621 -1.631 1.00 0.00 H new ATOM 0 HH TYR A 17 8.856 0.975 -2.562 1.00 0.00 H new ATOM 246 N ALA A 18 7.063 -2.108 2.386 1.00 0.00 N ATOM 247 CA ALA A 18 5.991 -1.124 2.295 1.00 0.00 C ATOM 248 C ALA A 18 5.835 -0.360 3.605 1.00 0.00 C ATOM 249 O ALA A 18 5.708 0.864 3.608 1.00 0.00 O ATOM 250 CB ALA A 18 4.683 -1.803 1.919 1.00 0.00 C ATOM 0 H ALA A 18 6.849 -3.006 1.952 1.00 0.00 H new ATOM 0 HA ALA A 18 6.253 -0.408 1.516 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.891 -1.057 1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.794 -2.298 0.954 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.425 -2.541 2.678 1.00 0.00 H new ATOM 256 N GLU A 19 5.846 -1.090 4.716 1.00 0.00 N ATOM 257 CA GLU A 19 5.704 -0.479 6.033 1.00 0.00 C ATOM 258 C GLU A 19 6.889 0.433 6.340 1.00 0.00 C ATOM 259 O GLU A 19 6.757 1.657 6.358 1.00 0.00 O ATOM 260 CB GLU A 19 5.584 -1.559 7.110 1.00 0.00 C ATOM 261 CG GLU A 19 5.242 -1.010 8.485 1.00 0.00 C ATOM 262 CD GLU A 19 5.330 -2.064 9.572 1.00 0.00 C ATOM 263 OE1 GLU A 19 4.576 -3.057 9.500 1.00 0.00 O ATOM 264 OE2 GLU A 19 6.155 -1.896 10.495 1.00 0.00 O ATOM 0 H GLU A 19 5.952 -2.104 4.731 1.00 0.00 H new ATOM 0 HA GLU A 19 4.796 0.123 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.817 -2.274 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.524 -2.107 7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.919 -0.190 8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.234 -0.596 8.466 1.00 0.00 H new ATOM 271 N THR A 20 8.047 -0.173 6.582 1.00 0.00 N ATOM 272 CA THR A 20 9.255 0.582 6.890 1.00 0.00 C ATOM 273 C THR A 20 9.462 1.718 5.896 1.00 0.00 C ATOM 274 O THR A 20 10.190 2.672 6.170 1.00 0.00 O ATOM 275 CB THR A 20 10.501 -0.324 6.884 1.00 0.00 C ATOM 276 OG1 THR A 20 11.630 0.392 7.397 1.00 0.00 O ATOM 277 CG2 THR A 20 10.804 -0.818 5.478 1.00 0.00 C ATOM 0 H THR A 20 8.174 -1.185 6.571 1.00 0.00 H new ATOM 0 HA THR A 20 9.122 0.997 7.889 1.00 0.00 H new ATOM 0 HB THR A 20 10.299 -1.186 7.519 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.535 1.345 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.688 -1.456 5.499 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.954 -1.388 5.101 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.987 0.035 4.824 1.00 0.00 H new ATOM 285 N PHE A 21 8.816 1.611 4.739 1.00 0.00 N ATOM 286 CA PHE A 21 8.930 2.630 3.702 1.00 0.00 C ATOM 287 C PHE A 21 7.808 3.658 3.825 1.00 0.00 C ATOM 288 O PHE A 21 8.006 4.844 3.560 1.00 0.00 O ATOM 289 CB PHE A 21 8.895 1.984 2.316 1.00 0.00 C ATOM 290 CG PHE A 21 8.497 2.933 1.222 1.00 0.00 C ATOM 291 CD1 PHE A 21 9.161 4.138 1.056 1.00 0.00 C ATOM 292 CD2 PHE A 21 7.459 2.620 0.359 1.00 0.00 C ATOM 293 CE1 PHE A 21 8.795 5.013 0.051 1.00 0.00 C ATOM 294 CE2 PHE A 21 7.090 3.491 -0.648 1.00 0.00 C ATOM 295 CZ PHE A 21 7.759 4.688 -0.803 1.00 0.00 C ATOM 0 H PHE A 21 8.208 0.829 4.496 1.00 0.00 H new ATOM 0 HA PHE A 21 9.884 3.141 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.879 1.574 2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.197 1.147 2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.973 4.396 1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.932 1.684 0.475 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.319 5.950 -0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.279 3.235 -1.313 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.473 5.369 -1.591 1.00 0.00 H new ATOM 305 N LEU A 22 6.631 3.194 4.228 1.00 0.00 N ATOM 306 CA LEU A 22 5.476 4.072 4.385 1.00 0.00 C ATOM 307 C LEU A 22 5.362 4.569 5.823 1.00 0.00 C ATOM 308 O LEU A 22 4.399 5.247 6.180 1.00 0.00 O ATOM 309 CB LEU A 22 4.195 3.338 3.984 1.00 0.00 C ATOM 310 CG LEU A 22 4.041 3.021 2.496 1.00 0.00 C ATOM 311 CD1 LEU A 22 2.903 2.036 2.275 1.00 0.00 C ATOM 312 CD2 LEU A 22 3.806 4.297 1.701 1.00 0.00 C ATOM 0 H LEU A 22 6.451 2.215 4.452 1.00 0.00 H new ATOM 0 HA LEU A 22 5.613 4.934 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.147 2.402 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.342 3.940 4.297 1.00 0.00 H new ATOM 0 HG LEU A 22 4.965 2.562 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.808 1.822 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.112 1.112 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.972 2.467 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.699 4.053 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.897 4.784 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.653 4.970 1.834 1.00 0.00 H new ATOM 324 N GLU A 23 6.352 4.228 6.642 1.00 0.00 N ATOM 325 CA GLU A 23 6.363 4.641 8.040 1.00 0.00 C ATOM 326 C GLU A 23 6.190 6.153 8.162 1.00 0.00 C ATOM 327 O GLU A 23 5.262 6.647 8.803 1.00 0.00 O ATOM 328 CB GLU A 23 7.668 4.210 8.713 1.00 0.00 C ATOM 329 CG GLU A 23 7.578 2.863 9.409 1.00 0.00 C ATOM 330 CD GLU A 23 8.748 2.607 10.339 1.00 0.00 C ATOM 331 OE1 GLU A 23 9.884 2.981 9.980 1.00 0.00 O ATOM 332 OE2 GLU A 23 8.526 2.033 11.425 1.00 0.00 O ATOM 0 H GLU A 23 7.156 3.667 6.361 1.00 0.00 H new ATOM 0 HA GLU A 23 5.527 4.155 8.542 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.458 4.170 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.959 4.967 9.441 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.649 2.813 9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.535 2.073 8.659 1.00 0.00 H new ATOM 339 N PRO A 24 7.104 6.905 7.532 1.00 0.00 N ATOM 340 CA PRO A 24 7.075 8.370 7.555 1.00 0.00 C ATOM 341 C PRO A 24 5.910 8.940 6.752 1.00 0.00 C ATOM 342 O PRO A 24 5.663 10.145 6.769 1.00 0.00 O ATOM 343 CB PRO A 24 8.409 8.762 6.913 1.00 0.00 C ATOM 344 CG PRO A 24 8.767 7.603 6.048 1.00 0.00 C ATOM 345 CD PRO A 24 8.237 6.383 6.749 1.00 0.00 C ATOM 0 HA PRO A 24 6.941 8.759 8.565 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.314 9.677 6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.174 8.944 7.668 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.326 7.705 5.056 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.846 7.537 5.912 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.918 5.619 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.992 5.928 7.390 1.00 0.00 H new ATOM 353 N TRP A 25 5.199 8.065 6.050 1.00 0.00 N ATOM 354 CA TRP A 25 4.059 8.482 5.240 1.00 0.00 C ATOM 355 C TRP A 25 2.745 8.147 5.937 1.00 0.00 C ATOM 356 O TRP A 25 1.725 8.796 5.705 1.00 0.00 O ATOM 357 CB TRP A 25 4.109 7.808 3.868 1.00 0.00 C ATOM 358 CG TRP A 25 4.861 8.602 2.843 1.00 0.00 C ATOM 359 CD1 TRP A 25 4.370 9.613 2.067 1.00 0.00 C ATOM 360 CD2 TRP A 25 6.238 8.449 2.483 1.00 0.00 C ATOM 361 NE1 TRP A 25 5.359 10.098 1.246 1.00 0.00 N ATOM 362 CE2 TRP A 25 6.515 9.401 1.482 1.00 0.00 C ATOM 363 CE3 TRP A 25 7.265 7.603 2.909 1.00 0.00 C ATOM 364 CZ2 TRP A 25 7.775 9.527 0.902 1.00 0.00 C ATOM 365 CZ3 TRP A 25 8.515 7.728 2.333 1.00 0.00 C ATOM 366 CH2 TRP A 25 8.761 8.685 1.339 1.00 0.00 C ATOM 0 H TRP A 25 5.391 7.064 6.025 1.00 0.00 H new ATOM 0 HA TRP A 25 4.114 9.563 5.108 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.573 6.827 3.970 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.091 7.644 3.515 1.00 0.00 H new ATOM 0 HD1 TRP A 25 3.354 9.978 2.095 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.250 10.854 0.570 1.00 0.00 H new ATOM 0 HE3 TRP A 25 7.085 6.864 3.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.967 10.263 0.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 9.315 7.078 2.654 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.749 8.759 0.909 1.00 0.00 H new ATOM 377 N PHE A 26 2.776 7.130 6.793 1.00 0.00 N ATOM 378 CA PHE A 26 1.586 6.709 7.523 1.00 0.00 C ATOM 379 C PHE A 26 1.856 6.668 9.024 1.00 0.00 C ATOM 380 O PHE A 26 1.019 7.078 9.829 1.00 0.00 O ATOM 381 CB PHE A 26 1.125 5.333 7.039 1.00 0.00 C ATOM 382 CG PHE A 26 0.532 5.351 5.659 1.00 0.00 C ATOM 383 CD1 PHE A 26 -0.353 6.349 5.284 1.00 0.00 C ATOM 384 CD2 PHE A 26 0.859 4.370 4.737 1.00 0.00 C ATOM 385 CE1 PHE A 26 -0.900 6.369 4.014 1.00 0.00 C ATOM 386 CE2 PHE A 26 0.315 4.384 3.467 1.00 0.00 C ATOM 387 CZ PHE A 26 -0.566 5.385 3.105 1.00 0.00 C ATOM 0 H PHE A 26 3.612 6.583 6.998 1.00 0.00 H new ATOM 0 HA PHE A 26 0.797 7.436 7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.973 4.649 7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.387 4.939 7.738 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.619 7.120 5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.547 3.585 5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.588 7.153 3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.578 3.613 2.758 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.993 5.398 2.113 1.00 0.00 H new ATOM 397 N LYS A 27 3.031 6.170 9.395 1.00 0.00 N ATOM 398 CA LYS A 27 3.413 6.075 10.799 1.00 0.00 C ATOM 399 C LYS A 27 3.813 7.441 11.347 1.00 0.00 C ATOM 400 O LYS A 27 4.552 8.187 10.705 1.00 0.00 O ATOM 401 CB LYS A 27 4.570 5.088 10.967 1.00 0.00 C ATOM 402 CG LYS A 27 4.692 4.529 12.374 1.00 0.00 C ATOM 403 CD LYS A 27 5.831 3.528 12.480 1.00 0.00 C ATOM 404 CE LYS A 27 6.424 3.504 13.880 1.00 0.00 C ATOM 405 NZ LYS A 27 7.790 2.911 13.894 1.00 0.00 N ATOM 0 H LYS A 27 3.735 5.826 8.742 1.00 0.00 H new ATOM 0 HA LYS A 27 2.551 5.715 11.361 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.437 4.263 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.503 5.585 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.857 5.345 13.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.756 4.048 12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.468 2.534 12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.608 3.782 11.759 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.465 4.519 14.274 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.773 2.931 14.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.830 2.148 14.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.011 2.526 12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.485 3.645 14.139 1.00 0.00 H new ATOM 419 N ALA A 28 3.321 7.762 12.540 1.00 0.00 N ATOM 420 CA ALA A 28 3.631 9.037 13.176 1.00 0.00 C ATOM 421 C ALA A 28 5.102 9.395 13.000 1.00 0.00 C ATOM 422 O ALA A 28 5.952 8.536 12.765 1.00 0.00 O ATOM 423 CB ALA A 28 3.269 8.991 14.653 1.00 0.00 C ATOM 0 H ALA A 28 2.707 7.157 13.085 1.00 0.00 H new ATOM 0 HA ALA A 28 3.036 9.811 12.691 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.506 9.949 15.116 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.203 8.790 14.760 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.839 8.201 15.143 1.00 0.00 H new ATOM 429 N PRO A 29 5.413 10.695 13.115 1.00 0.00 N ATOM 430 CA PRO A 29 4.411 11.727 13.395 1.00 0.00 C ATOM 431 C PRO A 29 3.471 11.956 12.216 1.00 0.00 C ATOM 432 O PRO A 29 2.518 12.729 12.311 1.00 0.00 O ATOM 433 CB PRO A 29 5.253 12.978 13.658 1.00 0.00 C ATOM 434 CG PRO A 29 6.526 12.739 12.921 1.00 0.00 C ATOM 435 CD PRO A 29 6.768 11.257 12.982 1.00 0.00 C ATOM 0 HA PRO A 29 3.763 11.451 14.227 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.750 13.876 13.299 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.433 13.117 14.724 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.449 13.080 11.888 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.350 13.288 13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.267 10.894 12.084 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.400 10.988 13.828 1.00 0.00 H new ATOM 443 N ASN A 30 3.746 11.279 11.106 1.00 0.00 N ATOM 444 CA ASN A 30 2.924 11.409 9.908 1.00 0.00 C ATOM 445 C ASN A 30 1.637 10.601 10.041 1.00 0.00 C ATOM 446 O ASN A 30 1.603 9.573 10.717 1.00 0.00 O ATOM 447 CB ASN A 30 3.705 10.947 8.676 1.00 0.00 C ATOM 448 CG ASN A 30 4.615 12.029 8.129 1.00 0.00 C ATOM 449 OD1 ASN A 30 4.333 12.626 7.089 1.00 0.00 O ATOM 450 ND2 ASN A 30 5.714 12.287 8.828 1.00 0.00 N ATOM 0 H ASN A 30 4.531 10.635 11.011 1.00 0.00 H new ATOM 0 HA ASN A 30 2.661 12.460 9.790 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.301 10.071 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.005 10.639 7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.365 13.005 8.509 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.908 11.768 9.684 1.00 0.00 H new ATOM 457 N LYS A 31 0.579 11.073 9.390 1.00 0.00 N ATOM 458 CA LYS A 31 -0.712 10.395 9.433 1.00 0.00 C ATOM 459 C LYS A 31 -1.712 11.070 8.499 1.00 0.00 C ATOM 460 O LYS A 31 -1.526 12.219 8.101 1.00 0.00 O ATOM 461 CB LYS A 31 -1.259 10.385 10.862 1.00 0.00 C ATOM 462 CG LYS A 31 -1.204 11.741 11.544 1.00 0.00 C ATOM 463 CD LYS A 31 -2.278 11.873 12.611 1.00 0.00 C ATOM 464 CE LYS A 31 -3.601 12.331 12.017 1.00 0.00 C ATOM 465 NZ LYS A 31 -4.583 12.705 13.073 1.00 0.00 N ATOM 0 H LYS A 31 0.590 11.923 8.826 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.566 9.368 9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.292 10.038 10.844 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.692 9.667 11.454 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.222 11.883 11.996 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.330 12.528 10.801 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.415 10.914 13.111 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.953 12.585 13.370 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.429 13.185 11.362 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.017 11.535 11.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.427 12.102 12.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.152 12.573 14.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.857 13.701 12.955 1.00 0.00 H new ATOM 479 N GLY A 32 -2.774 10.347 8.155 1.00 0.00 N ATOM 480 CA GLY A 32 -3.788 10.893 7.272 1.00 0.00 C ATOM 481 C GLY A 32 -4.513 9.818 6.488 1.00 0.00 C ATOM 482 O GLY A 32 -4.568 8.661 6.908 1.00 0.00 O ATOM 0 H GLY A 32 -2.950 9.394 8.472 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.510 11.459 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.323 11.593 6.578 1.00 0.00 H new ATOM 486 N THR A 33 -5.074 10.198 5.344 1.00 0.00 N ATOM 487 CA THR A 33 -5.802 9.259 4.500 1.00 0.00 C ATOM 488 C THR A 33 -4.993 8.891 3.262 1.00 0.00 C ATOM 489 O THR A 33 -3.972 9.513 2.968 1.00 0.00 O ATOM 490 CB THR A 33 -7.160 9.837 4.059 1.00 0.00 C ATOM 491 OG1 THR A 33 -6.961 11.044 3.315 1.00 0.00 O ATOM 492 CG2 THR A 33 -8.046 10.118 5.264 1.00 0.00 C ATOM 0 H THR A 33 -5.038 11.150 4.981 1.00 0.00 H new ATOM 0 HA THR A 33 -5.973 8.364 5.098 1.00 0.00 H new ATOM 0 HB THR A 33 -7.656 9.099 3.428 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.740 11.209 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.999 10.526 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.220 9.192 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.554 10.838 5.917 1.00 0.00 H new ATOM 500 N PHE A 34 -5.456 7.877 2.538 1.00 0.00 N ATOM 501 CA PHE A 34 -4.774 7.426 1.330 1.00 0.00 C ATOM 502 C PHE A 34 -5.671 6.502 0.513 1.00 0.00 C ATOM 503 O PHE A 34 -6.648 5.956 1.025 1.00 0.00 O ATOM 504 CB PHE A 34 -3.474 6.706 1.692 1.00 0.00 C ATOM 505 CG PHE A 34 -3.674 5.534 2.610 1.00 0.00 C ATOM 506 CD1 PHE A 34 -4.149 5.719 3.898 1.00 0.00 C ATOM 507 CD2 PHE A 34 -3.385 4.247 2.185 1.00 0.00 C ATOM 508 CE1 PHE A 34 -4.334 4.643 4.746 1.00 0.00 C ATOM 509 CE2 PHE A 34 -3.569 3.167 3.028 1.00 0.00 C ATOM 510 CZ PHE A 34 -4.043 3.365 4.310 1.00 0.00 C ATOM 0 H PHE A 34 -6.300 7.352 2.767 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.539 8.302 0.726 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.991 6.363 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.794 7.415 2.164 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.378 6.716 4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.012 4.086 1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.705 4.801 5.748 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -3.342 2.169 2.684 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.186 2.522 4.970 1.00 0.00 H new ATOM 520 N GLN A 35 -5.332 6.332 -0.761 1.00 0.00 N ATOM 521 CA GLN A 35 -6.107 5.475 -1.650 1.00 0.00 C ATOM 522 C GLN A 35 -5.210 4.450 -2.337 1.00 0.00 C ATOM 523 O GLN A 35 -4.364 4.804 -3.158 1.00 0.00 O ATOM 524 CB GLN A 35 -6.835 6.317 -2.699 1.00 0.00 C ATOM 525 CG GLN A 35 -5.900 7.075 -3.627 1.00 0.00 C ATOM 526 CD GLN A 35 -6.621 8.118 -4.457 1.00 0.00 C ATOM 527 OE1 GLN A 35 -6.300 9.306 -4.397 1.00 0.00 O ATOM 528 NE2 GLN A 35 -7.601 7.681 -5.239 1.00 0.00 N ATOM 0 H GLN A 35 -4.526 6.776 -1.200 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.843 4.942 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.475 5.666 -3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.487 7.029 -2.193 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.123 7.560 -3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.402 6.369 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.834 6.688 -5.258 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.121 8.338 -5.821 1.00 0.00 H new ATOM 537 N ILE A 36 -5.401 3.180 -1.995 1.00 0.00 N ATOM 538 CA ILE A 36 -4.610 2.105 -2.580 1.00 0.00 C ATOM 539 C ILE A 36 -5.190 1.660 -3.918 1.00 0.00 C ATOM 540 O ILE A 36 -6.395 1.440 -4.042 1.00 0.00 O ATOM 541 CB ILE A 36 -4.529 0.889 -1.638 1.00 0.00 C ATOM 542 CG1 ILE A 36 -3.803 1.265 -0.345 1.00 0.00 C ATOM 543 CG2 ILE A 36 -3.826 -0.270 -2.329 1.00 0.00 C ATOM 544 CD1 ILE A 36 -3.810 0.165 0.693 1.00 0.00 C ATOM 0 H ILE A 36 -6.097 2.871 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.607 2.501 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.542 0.576 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.771 1.525 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.268 2.155 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.776 -1.122 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.381 -0.551 -3.224 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.816 0.031 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.278 0.501 1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.839 -0.080 0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.318 -0.720 0.289 1.00 0.00 H new ATOM 556 N VAL A 37 -4.325 1.528 -4.918 1.00 0.00 N ATOM 557 CA VAL A 37 -4.750 1.106 -6.247 1.00 0.00 C ATOM 558 C VAL A 37 -3.776 0.095 -6.841 1.00 0.00 C ATOM 559 O VAL A 37 -2.583 0.369 -6.971 1.00 0.00 O ATOM 560 CB VAL A 37 -4.875 2.306 -7.204 1.00 0.00 C ATOM 561 CG1 VAL A 37 -5.195 1.834 -8.614 1.00 0.00 C ATOM 562 CG2 VAL A 37 -5.933 3.278 -6.705 1.00 0.00 C ATOM 0 H VAL A 37 -3.325 1.707 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.728 0.639 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.919 2.828 -7.230 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.280 2.696 -9.276 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.398 1.181 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.137 1.286 -8.609 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -6.008 4.120 -7.394 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.896 2.770 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.655 3.642 -5.716 1.00 0.00 H new ATOM 572 N TYR A 38 -4.292 -1.075 -7.201 1.00 0.00 N ATOM 573 CA TYR A 38 -3.468 -2.128 -7.780 1.00 0.00 C ATOM 574 C TYR A 38 -3.461 -2.040 -9.303 1.00 0.00 C ATOM 575 O TYR A 38 -4.494 -2.207 -9.952 1.00 0.00 O ATOM 576 CB TYR A 38 -3.976 -3.503 -7.340 1.00 0.00 C ATOM 577 CG TYR A 38 -3.327 -4.652 -8.077 1.00 0.00 C ATOM 578 CD1 TYR A 38 -2.110 -5.174 -7.656 1.00 0.00 C ATOM 579 CD2 TYR A 38 -3.931 -5.218 -9.193 1.00 0.00 C ATOM 580 CE1 TYR A 38 -1.512 -6.224 -8.327 1.00 0.00 C ATOM 581 CE2 TYR A 38 -3.342 -6.270 -9.868 1.00 0.00 C ATOM 582 CZ TYR A 38 -2.133 -6.768 -9.432 1.00 0.00 C ATOM 583 OH TYR A 38 -1.542 -7.815 -10.101 1.00 0.00 O ATOM 0 H TYR A 38 -5.278 -1.318 -7.102 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.447 -1.993 -7.422 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.799 -3.622 -6.271 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.055 -3.548 -7.491 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.623 -4.752 -6.789 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.877 -4.829 -9.539 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.564 -6.616 -7.988 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.826 -6.700 -10.732 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.199 -8.237 -10.694 1.00 0.00 H new ATOM 593 N LYS A 39 -2.288 -1.776 -9.868 1.00 0.00 N ATOM 594 CA LYS A 39 -2.142 -1.666 -11.315 1.00 0.00 C ATOM 595 C LYS A 39 -1.276 -2.796 -11.862 1.00 0.00 C ATOM 596 O LYS A 39 -0.060 -2.806 -11.673 1.00 0.00 O ATOM 597 CB LYS A 39 -1.529 -0.314 -11.686 1.00 0.00 C ATOM 598 CG LYS A 39 -2.344 0.875 -11.208 1.00 0.00 C ATOM 599 CD LYS A 39 -1.846 2.174 -11.818 1.00 0.00 C ATOM 600 CE LYS A 39 -2.473 2.425 -13.181 1.00 0.00 C ATOM 601 NZ LYS A 39 -1.714 1.755 -14.273 1.00 0.00 N ATOM 0 H LYS A 39 -1.424 -1.634 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.133 -1.743 -11.761 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.527 -0.251 -11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.422 -0.258 -12.769 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.392 0.728 -11.469 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.293 0.939 -10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.079 3.004 -11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.761 2.139 -11.916 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.502 2.064 -13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.512 3.498 -13.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.740 2.347 -15.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.726 1.619 -13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.144 0.831 -14.478 1.00 0.00 H new ATOM 615 N SER A 40 -1.910 -3.746 -12.541 1.00 0.00 N ATOM 616 CA SER A 40 -1.197 -4.883 -13.114 1.00 0.00 C ATOM 617 C SER A 40 -1.749 -5.231 -14.493 1.00 0.00 C ATOM 618 O SER A 40 -2.918 -4.981 -14.787 1.00 0.00 O ATOM 619 CB SER A 40 -1.302 -6.096 -12.188 1.00 0.00 C ATOM 620 OG SER A 40 -0.675 -7.230 -12.762 1.00 0.00 O ATOM 0 H SER A 40 -2.916 -3.752 -12.708 1.00 0.00 H new ATOM 0 HA SER A 40 -0.148 -4.607 -13.221 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.838 -5.867 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.351 -6.317 -11.990 1.00 0.00 H new ATOM 0 HG SER A 40 -0.676 -7.967 -12.116 1.00 0.00 H new ATOM 626 N ARG A 41 -0.899 -5.811 -15.334 1.00 0.00 N ATOM 627 CA ARG A 41 -1.300 -6.194 -16.682 1.00 0.00 C ATOM 628 C ARG A 41 -1.772 -7.644 -16.718 1.00 0.00 C ATOM 629 O ARG A 41 -2.755 -7.971 -17.382 1.00 0.00 O ATOM 630 CB ARG A 41 -0.137 -6.000 -17.657 1.00 0.00 C ATOM 631 CG ARG A 41 -0.520 -6.214 -19.112 1.00 0.00 C ATOM 632 CD ARG A 41 0.687 -6.591 -19.957 1.00 0.00 C ATOM 633 NE ARG A 41 0.307 -7.339 -21.152 1.00 0.00 N ATOM 634 CZ ARG A 41 -0.236 -6.779 -22.228 1.00 0.00 C ATOM 635 NH1 ARG A 41 -0.459 -5.473 -22.258 1.00 0.00 N ATOM 636 NH2 ARG A 41 -0.554 -7.527 -23.277 1.00 0.00 N ATOM 0 H ARG A 41 0.072 -6.026 -15.106 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.129 -5.553 -16.983 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.260 -4.992 -17.539 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.664 -6.691 -17.396 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.272 -7.000 -19.179 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.973 -5.305 -19.508 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.221 -5.687 -20.250 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.376 -7.188 -19.359 1.00 0.00 H new ATOM 0 HE ARG A 41 0.467 -8.346 -21.161 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.214 -4.895 -21.454 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.876 -5.046 -23.085 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.382 -8.532 -23.258 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.971 -7.097 -24.103 1.00 0.00 H new ATOM 650 N ASN A 42 -1.065 -8.509 -16.000 1.00 0.00 N ATOM 651 CA ASN A 42 -1.410 -9.925 -15.950 1.00 0.00 C ATOM 652 C ASN A 42 -0.957 -10.551 -14.635 1.00 0.00 C ATOM 653 O ASN A 42 0.237 -10.607 -14.342 1.00 0.00 O ATOM 654 CB ASN A 42 -0.775 -10.668 -17.127 1.00 0.00 C ATOM 655 CG ASN A 42 -1.572 -11.892 -17.536 1.00 0.00 C ATOM 656 OD1 ASN A 42 -2.779 -11.967 -17.304 1.00 0.00 O ATOM 657 ND2 ASN A 42 -0.899 -12.858 -18.150 1.00 0.00 N ATOM 0 H ASN A 42 -0.249 -8.254 -15.444 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.495 -10.011 -16.017 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.691 -9.992 -17.978 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.237 -10.970 -16.859 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.382 -13.705 -18.450 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.101 -12.753 -18.322 1.00 0.00 H new ATOM 664 N ASN A 43 -1.918 -11.020 -13.846 1.00 0.00 N ATOM 665 CA ASN A 43 -1.617 -11.641 -12.561 1.00 0.00 C ATOM 666 C ASN A 43 -0.300 -12.408 -12.623 1.00 0.00 C ATOM 667 O ASN A 43 -0.081 -13.215 -13.527 1.00 0.00 O ATOM 668 CB ASN A 43 -2.750 -12.584 -12.150 1.00 0.00 C ATOM 669 CG ASN A 43 -3.901 -11.851 -11.489 1.00 0.00 C ATOM 670 OD1 ASN A 43 -3.799 -10.664 -11.178 1.00 0.00 O ATOM 671 ND2 ASN A 43 -5.005 -12.557 -11.271 1.00 0.00 N ATOM 0 H ASN A 43 -2.912 -10.982 -14.074 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.522 -10.851 -11.816 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.117 -13.112 -13.030 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.361 -13.338 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -5.813 -12.117 -10.829 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.045 -13.539 -11.545 1.00 0.00 H new ATOM 678 N SER A 44 0.574 -12.151 -11.655 1.00 0.00 N ATOM 679 CA SER A 44 1.872 -12.814 -11.601 1.00 0.00 C ATOM 680 C SER A 44 1.915 -13.832 -10.465 1.00 0.00 C ATOM 681 O SER A 44 2.536 -13.597 -9.428 1.00 0.00 O ATOM 682 CB SER A 44 2.988 -11.783 -11.420 1.00 0.00 C ATOM 683 OG SER A 44 3.301 -11.149 -12.648 1.00 0.00 O ATOM 0 H SER A 44 0.407 -11.489 -10.898 1.00 0.00 H new ATOM 0 HA SER A 44 2.023 -13.340 -12.543 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.681 -11.035 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.878 -12.271 -11.022 1.00 0.00 H new ATOM 0 HG SER A 44 4.016 -10.494 -12.505 1.00 0.00 H new ATOM 689 N HIS A 45 1.249 -14.964 -10.669 1.00 0.00 N ATOM 690 CA HIS A 45 1.211 -16.020 -9.663 1.00 0.00 C ATOM 691 C HIS A 45 0.949 -15.439 -8.276 1.00 0.00 C ATOM 692 O HIS A 45 1.578 -15.839 -7.296 1.00 0.00 O ATOM 693 CB HIS A 45 2.525 -16.801 -9.662 1.00 0.00 C ATOM 694 CG HIS A 45 3.115 -16.982 -11.027 1.00 0.00 C ATOM 695 ND1 HIS A 45 3.027 -18.162 -11.734 1.00 0.00 N ATOM 696 CD2 HIS A 45 3.804 -16.123 -11.814 1.00 0.00 C ATOM 697 CE1 HIS A 45 3.637 -18.021 -12.898 1.00 0.00 C ATOM 698 NE2 HIS A 45 4.117 -16.793 -12.971 1.00 0.00 N ATOM 0 H HIS A 45 0.729 -15.174 -11.521 1.00 0.00 H new ATOM 0 HA HIS A 45 0.395 -16.698 -9.914 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.246 -16.283 -9.029 1.00 0.00 H new ATOM 0 HB3 HIS A 45 2.356 -17.781 -9.216 1.00 0.00 H new ATOM 0 HD2 HIS A 45 4.060 -15.101 -11.576 1.00 0.00 H new ATOM 0 HE1 HIS A 45 3.727 -18.781 -13.660 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.636 -16.405 -13.759 1.00 0.00 H new ATOM 706 N VAL A 46 0.018 -14.494 -8.202 1.00 0.00 N ATOM 707 CA VAL A 46 -0.327 -13.859 -6.936 1.00 0.00 C ATOM 708 C VAL A 46 -1.695 -13.189 -7.011 1.00 0.00 C ATOM 709 O VAL A 46 -2.052 -12.598 -8.029 1.00 0.00 O ATOM 710 CB VAL A 46 0.724 -12.809 -6.529 1.00 0.00 C ATOM 711 CG1 VAL A 46 0.739 -11.656 -7.521 1.00 0.00 C ATOM 712 CG2 VAL A 46 0.457 -12.306 -5.119 1.00 0.00 C ATOM 0 H VAL A 46 -0.511 -14.151 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.352 -14.648 -6.184 1.00 0.00 H new ATOM 0 HB VAL A 46 1.707 -13.281 -6.542 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.487 -10.924 -7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.983 -12.034 -8.514 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.243 -11.183 -7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.209 -11.565 -4.848 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.532 -11.851 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.503 -13.141 -4.420 1.00 0.00 H new ATOM 722 N ASN A 47 -2.456 -13.286 -5.926 1.00 0.00 N ATOM 723 CA ASN A 47 -3.785 -12.689 -5.870 1.00 0.00 C ATOM 724 C ASN A 47 -3.715 -11.181 -6.090 1.00 0.00 C ATOM 725 O ASN A 47 -2.630 -10.613 -6.222 1.00 0.00 O ATOM 726 CB ASN A 47 -4.444 -12.988 -4.522 1.00 0.00 C ATOM 727 CG ASN A 47 -4.485 -14.473 -4.215 1.00 0.00 C ATOM 728 OD1 ASN A 47 -3.445 -15.120 -4.086 1.00 0.00 O ATOM 729 ND2 ASN A 47 -5.689 -15.020 -4.096 1.00 0.00 N ATOM 0 H ASN A 47 -2.175 -13.772 -5.074 1.00 0.00 H new ATOM 0 HA ASN A 47 -4.386 -13.127 -6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -3.899 -12.471 -3.732 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -5.459 -12.591 -4.521 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.779 -16.015 -3.890 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.524 -14.445 -4.211 1.00 0.00 H new ATOM 736 N ARG A 48 -4.878 -10.539 -6.128 1.00 0.00 N ATOM 737 CA ARG A 48 -4.948 -9.097 -6.332 1.00 0.00 C ATOM 738 C ARG A 48 -5.412 -8.390 -5.063 1.00 0.00 C ATOM 739 O ARG A 48 -4.739 -7.491 -4.560 1.00 0.00 O ATOM 740 CB ARG A 48 -5.896 -8.770 -7.487 1.00 0.00 C ATOM 741 CG ARG A 48 -5.940 -7.292 -7.840 1.00 0.00 C ATOM 742 CD ARG A 48 -7.012 -6.561 -7.048 1.00 0.00 C ATOM 743 NE ARG A 48 -8.347 -7.085 -7.321 1.00 0.00 N ATOM 744 CZ ARG A 48 -9.079 -6.721 -8.369 1.00 0.00 C ATOM 745 NH1 ARG A 48 -8.606 -5.837 -9.237 1.00 0.00 N ATOM 746 NH2 ARG A 48 -10.285 -7.242 -8.550 1.00 0.00 N ATOM 0 H ARG A 48 -5.784 -10.994 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.948 -8.741 -6.580 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.591 -9.336 -8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -6.901 -9.103 -7.226 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.968 -6.840 -7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.133 -7.177 -8.907 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.799 -6.649 -5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.982 -5.499 -7.292 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.739 -7.767 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.679 -5.435 -9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -9.170 -5.559 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -10.652 -7.923 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.846 -6.962 -9.355 1.00 0.00 H new ATOM 760 N GLU A 49 -6.568 -8.802 -4.550 1.00 0.00 N ATOM 761 CA GLU A 49 -7.122 -8.206 -3.340 1.00 0.00 C ATOM 762 C GLU A 49 -6.142 -8.327 -2.176 1.00 0.00 C ATOM 763 O GLU A 49 -5.842 -7.344 -1.501 1.00 0.00 O ATOM 764 CB GLU A 49 -8.448 -8.877 -2.977 1.00 0.00 C ATOM 765 CG GLU A 49 -9.603 -8.469 -3.876 1.00 0.00 C ATOM 766 CD GLU A 49 -10.758 -9.451 -3.824 1.00 0.00 C ATOM 767 OE1 GLU A 49 -11.458 -9.491 -2.791 1.00 0.00 O ATOM 768 OE2 GLU A 49 -10.960 -10.180 -4.818 1.00 0.00 O ATOM 0 H GLU A 49 -7.138 -9.545 -4.953 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.299 -7.148 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.324 -9.959 -3.028 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.698 -8.633 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.957 -7.481 -3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.247 -8.386 -4.903 1.00 0.00 H new ATOM 775 N GLU A 50 -5.649 -9.541 -1.949 1.00 0.00 N ATOM 776 CA GLU A 50 -4.705 -9.790 -0.866 1.00 0.00 C ATOM 777 C GLU A 50 -3.722 -8.632 -0.724 1.00 0.00 C ATOM 778 O GLU A 50 -3.500 -8.123 0.375 1.00 0.00 O ATOM 779 CB GLU A 50 -3.942 -11.093 -1.115 1.00 0.00 C ATOM 780 CG GLU A 50 -4.783 -12.341 -0.902 1.00 0.00 C ATOM 781 CD GLU A 50 -5.273 -12.477 0.526 1.00 0.00 C ATOM 782 OE1 GLU A 50 -4.486 -12.933 1.382 1.00 0.00 O ATOM 783 OE2 GLU A 50 -6.443 -12.129 0.789 1.00 0.00 O ATOM 0 H GLU A 50 -5.887 -10.366 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.271 -9.879 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.561 -11.092 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.077 -11.130 -0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.640 -12.317 -1.575 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.195 -13.220 -1.166 1.00 0.00 H new ATOM 790 N VAL A 51 -3.135 -8.221 -1.843 1.00 0.00 N ATOM 791 CA VAL A 51 -2.176 -7.122 -1.844 1.00 0.00 C ATOM 792 C VAL A 51 -2.802 -5.845 -1.296 1.00 0.00 C ATOM 793 O VAL A 51 -2.379 -5.329 -0.261 1.00 0.00 O ATOM 794 CB VAL A 51 -1.637 -6.850 -3.261 1.00 0.00 C ATOM 795 CG1 VAL A 51 -0.664 -5.680 -3.247 1.00 0.00 C ATOM 796 CG2 VAL A 51 -0.976 -8.097 -3.829 1.00 0.00 C ATOM 0 H VAL A 51 -3.306 -8.632 -2.761 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.350 -7.422 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.476 -6.586 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.294 -5.503 -4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.174 -4.787 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.173 -5.911 -2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.601 -7.886 -4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.147 -8.394 -3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.705 -8.905 -3.877 1.00 0.00 H new ATOM 806 N ILE A 52 -3.812 -5.340 -1.996 1.00 0.00 N ATOM 807 CA ILE A 52 -4.498 -4.124 -1.578 1.00 0.00 C ATOM 808 C ILE A 52 -4.947 -4.218 -0.124 1.00 0.00 C ATOM 809 O ILE A 52 -4.454 -3.490 0.737 1.00 0.00 O ATOM 810 CB ILE A 52 -5.724 -3.836 -2.465 1.00 0.00 C ATOM 811 CG1 ILE A 52 -5.298 -3.677 -3.926 1.00 0.00 C ATOM 812 CG2 ILE A 52 -6.447 -2.588 -1.980 1.00 0.00 C ATOM 813 CD1 ILE A 52 -6.459 -3.660 -4.896 1.00 0.00 C ATOM 0 H ILE A 52 -4.173 -5.754 -2.855 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.784 -3.307 -1.683 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.410 -4.680 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.733 -2.751 -4.032 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.626 -4.493 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.311 -2.397 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.779 -2.736 -0.952 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.770 -1.735 -2.023 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -6.082 -3.544 -5.912 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.012 -4.596 -4.818 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -7.120 -2.827 -4.657 1.00 0.00 H new ATOM 825 N ARG A 53 -5.885 -5.121 0.142 1.00 0.00 N ATOM 826 CA ARG A 53 -6.401 -5.312 1.493 1.00 0.00 C ATOM 827 C ARG A 53 -5.277 -5.228 2.521 1.00 0.00 C ATOM 828 O ARG A 53 -5.347 -4.446 3.468 1.00 0.00 O ATOM 829 CB ARG A 53 -7.109 -6.663 1.605 1.00 0.00 C ATOM 830 CG ARG A 53 -8.297 -6.808 0.668 1.00 0.00 C ATOM 831 CD ARG A 53 -9.463 -5.937 1.107 1.00 0.00 C ATOM 832 NE ARG A 53 -10.732 -6.401 0.553 1.00 0.00 N ATOM 833 CZ ARG A 53 -11.153 -6.100 -0.671 1.00 0.00 C ATOM 834 NH1 ARG A 53 -10.410 -5.341 -1.463 1.00 0.00 N ATOM 835 NH2 ARG A 53 -12.320 -6.560 -1.104 1.00 0.00 N ATOM 0 H ARG A 53 -6.303 -5.732 -0.560 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.117 -4.516 1.697 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.393 -7.457 1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -7.448 -6.802 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.999 -6.535 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.612 -7.851 0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -9.523 -5.933 2.195 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.285 -4.908 0.794 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.328 -6.988 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.512 -4.986 -1.134 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.736 -5.112 -2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.894 -7.145 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.643 -6.329 -2.044 1.00 0.00 H new ATOM 849 N GLU A 54 -4.242 -6.039 2.326 1.00 0.00 N ATOM 850 CA GLU A 54 -3.104 -6.057 3.238 1.00 0.00 C ATOM 851 C GLU A 54 -2.463 -4.675 3.335 1.00 0.00 C ATOM 852 O GLU A 54 -2.448 -4.059 4.401 1.00 0.00 O ATOM 853 CB GLU A 54 -2.066 -7.081 2.773 1.00 0.00 C ATOM 854 CG GLU A 54 -0.763 -7.023 3.553 1.00 0.00 C ATOM 855 CD GLU A 54 -0.913 -7.524 4.977 1.00 0.00 C ATOM 856 OE1 GLU A 54 -1.469 -8.626 5.162 1.00 0.00 O ATOM 857 OE2 GLU A 54 -0.474 -6.814 5.905 1.00 0.00 O ATOM 0 H GLU A 54 -4.168 -6.692 1.546 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.467 -6.341 4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.489 -8.081 2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.855 -6.918 1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.009 -7.620 3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.399 -5.996 3.570 1.00 0.00 H new ATOM 864 N LEU A 55 -1.934 -4.195 2.215 1.00 0.00 N ATOM 865 CA LEU A 55 -1.291 -2.886 2.172 1.00 0.00 C ATOM 866 C LEU A 55 -1.983 -1.908 3.117 1.00 0.00 C ATOM 867 O LEU A 55 -1.330 -1.104 3.781 1.00 0.00 O ATOM 868 CB LEU A 55 -1.308 -2.334 0.746 1.00 0.00 C ATOM 869 CG LEU A 55 -0.181 -2.810 -0.172 1.00 0.00 C ATOM 870 CD1 LEU A 55 -0.564 -2.619 -1.631 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.111 -2.071 0.144 1.00 0.00 C ATOM 0 H LEU A 55 -1.938 -4.692 1.325 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.257 -3.006 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.260 -2.599 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.272 -1.246 0.799 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.020 -3.874 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.250 -2.963 -2.269 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.464 -3.194 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.753 -1.563 -1.822 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.902 -2.422 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.963 -1.001 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.394 -2.260 1.179 1.00 0.00 H new ATOM 883 N ALA A 56 -3.309 -1.985 3.172 1.00 0.00 N ATOM 884 CA ALA A 56 -4.089 -1.109 4.038 1.00 0.00 C ATOM 885 C ALA A 56 -4.012 -1.565 5.491 1.00 0.00 C ATOM 886 O ALA A 56 -3.692 -0.778 6.382 1.00 0.00 O ATOM 887 CB ALA A 56 -5.537 -1.062 3.574 1.00 0.00 C ATOM 0 H ALA A 56 -3.865 -2.644 2.628 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.666 -0.106 3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -6.108 -0.404 4.229 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.580 -0.683 2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.962 -2.065 3.607 1.00 0.00 H new ATOM 893 N GLY A 57 -4.308 -2.840 5.724 1.00 0.00 N ATOM 894 CA GLY A 57 -4.267 -3.377 7.071 1.00 0.00 C ATOM 895 C GLY A 57 -2.994 -3.003 7.806 1.00 0.00 C ATOM 896 O GLY A 57 -2.995 -2.860 9.029 1.00 0.00 O ATOM 0 H GLY A 57 -4.576 -3.511 5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.127 -3.011 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.353 -4.463 7.029 1.00 0.00 H new ATOM 900 N ILE A 58 -1.907 -2.846 7.059 1.00 0.00 N ATOM 901 CA ILE A 58 -0.622 -2.488 7.648 1.00 0.00 C ATOM 902 C ILE A 58 -0.577 -1.007 8.008 1.00 0.00 C ATOM 903 O ILE A 58 -0.104 -0.632 9.081 1.00 0.00 O ATOM 904 CB ILE A 58 0.543 -2.809 6.694 1.00 0.00 C ATOM 905 CG1 ILE A 58 0.579 -4.306 6.382 1.00 0.00 C ATOM 906 CG2 ILE A 58 1.864 -2.357 7.300 1.00 0.00 C ATOM 907 CD1 ILE A 58 1.604 -4.682 5.335 1.00 0.00 C ATOM 0 H ILE A 58 -1.890 -2.961 6.046 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.513 -3.083 8.554 1.00 0.00 H new ATOM 0 HB ILE A 58 0.389 -2.267 5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.791 -4.855 7.300 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.407 -4.622 6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.678 -2.591 6.614 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.835 -1.282 7.475 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.027 -2.874 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.573 -5.758 5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.381 -4.161 4.404 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.598 -4.398 5.680 1.00 0.00 H new ATOM 919 N VAL A 59 -1.073 -0.168 7.104 1.00 0.00 N ATOM 920 CA VAL A 59 -1.093 1.273 7.327 1.00 0.00 C ATOM 921 C VAL A 59 -1.659 1.609 8.702 1.00 0.00 C ATOM 922 O VAL A 59 -1.047 2.349 9.473 1.00 0.00 O ATOM 923 CB VAL A 59 -1.924 1.996 6.251 1.00 0.00 C ATOM 924 CG1 VAL A 59 -2.044 3.478 6.575 1.00 0.00 C ATOM 925 CG2 VAL A 59 -1.308 1.791 4.875 1.00 0.00 C ATOM 0 H VAL A 59 -1.467 -0.462 6.210 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.060 1.616 7.269 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.926 1.568 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.634 3.972 5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.533 3.601 7.541 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.050 3.924 6.613 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.908 2.309 4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.294 2.191 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.280 0.726 4.644 1.00 0.00 H new ATOM 935 N CYS A 60 -2.830 1.060 9.003 1.00 0.00 N ATOM 936 CA CYS A 60 -3.480 1.301 10.287 1.00 0.00 C ATOM 937 C CYS A 60 -2.585 0.862 11.441 1.00 0.00 C ATOM 938 O CYS A 60 -2.529 1.516 12.483 1.00 0.00 O ATOM 939 CB CYS A 60 -4.817 0.561 10.352 1.00 0.00 C ATOM 940 SG CYS A 60 -5.993 1.264 11.532 1.00 0.00 S ATOM 0 H CYS A 60 -3.349 0.445 8.376 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.661 2.372 10.379 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.269 0.562 9.360 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.631 -0.480 10.617 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.093 0.571 11.513 1.00 0.00 H new ATOM 946 N THR A 61 -1.885 -0.253 11.249 1.00 0.00 N ATOM 947 CA THR A 61 -0.995 -0.781 12.275 1.00 0.00 C ATOM 948 C THR A 61 0.016 0.269 12.720 1.00 0.00 C ATOM 949 O THR A 61 0.342 0.370 13.904 1.00 0.00 O ATOM 950 CB THR A 61 -0.238 -2.026 11.774 1.00 0.00 C ATOM 951 OG1 THR A 61 -1.166 -3.000 11.285 1.00 0.00 O ATOM 952 CG2 THR A 61 0.603 -2.633 12.887 1.00 0.00 C ATOM 0 H THR A 61 -1.918 -0.807 10.393 1.00 0.00 H new ATOM 0 HA THR A 61 -1.620 -1.061 13.123 1.00 0.00 H new ATOM 0 HB THR A 61 0.425 -1.719 10.965 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.531 -2.702 10.426 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.128 -3.510 12.509 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.329 -1.899 13.237 1.00 0.00 H new ATOM 0 HG23 THR A 61 -0.044 -2.925 13.714 1.00 0.00 H new ATOM 960 N LEU A 62 0.510 1.050 11.766 1.00 0.00 N ATOM 961 CA LEU A 62 1.484 2.095 12.060 1.00 0.00 C ATOM 962 C LEU A 62 0.875 3.172 12.952 1.00 0.00 C ATOM 963 O LEU A 62 1.247 3.310 14.117 1.00 0.00 O ATOM 964 CB LEU A 62 1.997 2.722 10.763 1.00 0.00 C ATOM 965 CG LEU A 62 2.529 1.748 9.711 1.00 0.00 C ATOM 966 CD1 LEU A 62 2.359 2.325 8.314 1.00 0.00 C ATOM 967 CD2 LEU A 62 3.990 1.419 9.980 1.00 0.00 C ATOM 0 H LEU A 62 0.252 0.979 10.782 1.00 0.00 H new ATOM 0 HA LEU A 62 2.319 1.639 12.591 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.187 3.300 10.317 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.791 3.426 11.012 1.00 0.00 H new ATOM 0 HG LEU A 62 1.952 0.825 9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.743 1.618 7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.302 2.509 8.122 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.910 3.262 8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.352 0.725 9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.581 2.334 9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.085 0.962 10.965 1.00 0.00 H new ATOM 979 N ASN A 63 -0.065 3.931 12.398 1.00 0.00 N ATOM 980 CA ASN A 63 -0.727 4.995 13.144 1.00 0.00 C ATOM 981 C ASN A 63 -2.243 4.840 13.082 1.00 0.00 C ATOM 982 O ASN A 63 -2.841 4.905 12.008 1.00 0.00 O ATOM 983 CB ASN A 63 -0.320 6.363 12.593 1.00 0.00 C ATOM 984 CG ASN A 63 -0.348 7.446 13.654 1.00 0.00 C ATOM 985 OD1 ASN A 63 -1.023 7.312 14.675 1.00 0.00 O ATOM 986 ND2 ASN A 63 0.386 8.526 13.416 1.00 0.00 N ATOM 0 H ASN A 63 -0.385 3.829 11.435 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.414 4.923 14.186 1.00 0.00 H new ATOM 0 HB2 ASN A 63 0.683 6.298 12.171 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.991 6.638 11.779 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.406 9.288 14.093 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.930 8.594 12.556 1.00 0.00 H new ATOM 993 N SER A 64 -2.860 4.636 14.242 1.00 0.00 N ATOM 994 CA SER A 64 -4.306 4.469 14.319 1.00 0.00 C ATOM 995 C SER A 64 -5.025 5.630 13.639 1.00 0.00 C ATOM 996 O SER A 64 -6.126 5.470 13.113 1.00 0.00 O ATOM 997 CB SER A 64 -4.751 4.364 15.779 1.00 0.00 C ATOM 998 OG SER A 64 -6.095 3.923 15.873 1.00 0.00 O ATOM 0 H SER A 64 -2.381 4.582 15.141 1.00 0.00 H new ATOM 0 HA SER A 64 -4.568 3.548 13.799 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.100 3.671 16.312 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.649 5.335 16.264 1.00 0.00 H new ATOM 0 HG SER A 64 -6.354 3.863 16.816 1.00 0.00 H new ATOM 1004 N GLU A 65 -4.393 6.799 13.655 1.00 0.00 N ATOM 1005 CA GLU A 65 -4.972 7.988 13.040 1.00 0.00 C ATOM 1006 C GLU A 65 -5.128 7.801 11.534 1.00 0.00 C ATOM 1007 O GLU A 65 -5.966 8.441 10.902 1.00 0.00 O ATOM 1008 CB GLU A 65 -4.100 9.213 13.325 1.00 0.00 C ATOM 1009 CG GLU A 65 -4.190 9.703 14.761 1.00 0.00 C ATOM 1010 CD GLU A 65 -5.425 10.546 15.013 1.00 0.00 C ATOM 1011 OE1 GLU A 65 -6.452 10.309 14.344 1.00 0.00 O ATOM 1012 OE2 GLU A 65 -5.364 11.444 15.879 1.00 0.00 O ATOM 0 H GLU A 65 -3.481 6.948 14.087 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.960 8.145 13.473 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.062 8.971 13.097 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.393 10.021 12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.196 8.846 15.434 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.301 10.288 14.998 1.00 0.00 H new ATOM 1019 N ASN A 66 -4.312 6.919 10.965 1.00 0.00 N ATOM 1020 CA ASN A 66 -4.357 6.648 9.533 1.00 0.00 C ATOM 1021 C ASN A 66 -5.689 6.014 9.142 1.00 0.00 C ATOM 1022 O ASN A 66 -6.206 5.144 9.843 1.00 0.00 O ATOM 1023 CB ASN A 66 -3.204 5.726 9.131 1.00 0.00 C ATOM 1024 CG ASN A 66 -1.857 6.256 9.581 1.00 0.00 C ATOM 1025 OD1 ASN A 66 -1.660 7.466 9.697 1.00 0.00 O ATOM 1026 ND2 ASN A 66 -0.920 5.350 9.838 1.00 0.00 N ATOM 0 H ASN A 66 -3.612 6.380 11.474 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.256 7.596 9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.365 4.738 9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.200 5.604 8.048 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.006 5.647 10.145 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -1.127 4.357 9.729 1.00 0.00 H new ATOM 1033 N LYS A 67 -6.240 6.457 8.016 1.00 0.00 N ATOM 1034 CA LYS A 67 -7.511 5.933 7.529 1.00 0.00 C ATOM 1035 C LYS A 67 -7.580 6.005 6.007 1.00 0.00 C ATOM 1036 O LYS A 67 -7.727 7.084 5.432 1.00 0.00 O ATOM 1037 CB LYS A 67 -8.676 6.714 8.141 1.00 0.00 C ATOM 1038 CG LYS A 67 -9.010 6.294 9.562 1.00 0.00 C ATOM 1039 CD LYS A 67 -10.286 6.956 10.053 1.00 0.00 C ATOM 1040 CE LYS A 67 -10.090 8.447 10.279 1.00 0.00 C ATOM 1041 NZ LYS A 67 -11.373 9.196 10.182 1.00 0.00 N ATOM 0 H LYS A 67 -5.826 7.177 7.424 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.585 4.888 7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.434 7.777 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.559 6.583 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.121 5.211 9.606 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.185 6.557 10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.082 6.799 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.607 6.485 10.982 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.648 8.610 11.262 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.386 8.836 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.197 10.208 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.783 9.061 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.037 8.842 10.900 1.00 0.00 H new ATOM 1055 N VAL A 68 -7.475 4.849 5.359 1.00 0.00 N ATOM 1056 CA VAL A 68 -7.529 4.781 3.903 1.00 0.00 C ATOM 1057 C VAL A 68 -8.870 5.280 3.379 1.00 0.00 C ATOM 1058 O VAL A 68 -9.920 4.718 3.694 1.00 0.00 O ATOM 1059 CB VAL A 68 -7.296 3.344 3.400 1.00 0.00 C ATOM 1060 CG1 VAL A 68 -8.274 2.383 4.056 1.00 0.00 C ATOM 1061 CG2 VAL A 68 -7.413 3.285 1.884 1.00 0.00 C ATOM 0 H VAL A 68 -7.352 3.947 5.819 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.733 5.424 3.526 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.286 3.040 3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.094 1.373 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.136 2.405 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.294 2.681 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.246 2.262 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.410 3.608 1.583 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.668 3.942 1.436 1.00 0.00 H new ATOM 1071 N ASP A 69 -8.829 6.338 2.577 1.00 0.00 N ATOM 1072 CA ASP A 69 -10.042 6.913 2.007 1.00 0.00 C ATOM 1073 C ASP A 69 -9.992 6.886 0.483 1.00 0.00 C ATOM 1074 O ASP A 69 -8.920 6.990 -0.116 1.00 0.00 O ATOM 1075 CB ASP A 69 -10.230 8.350 2.497 1.00 0.00 C ATOM 1076 CG ASP A 69 -11.687 8.771 2.510 1.00 0.00 C ATOM 1077 OD1 ASP A 69 -12.537 7.951 2.914 1.00 0.00 O ATOM 1078 OD2 ASP A 69 -11.976 9.920 2.116 1.00 0.00 O ATOM 0 H ASP A 69 -7.969 6.815 2.307 1.00 0.00 H new ATOM 0 HA ASP A 69 -10.889 6.311 2.336 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.818 8.445 3.502 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -9.665 9.026 1.856 1.00 0.00 H new ATOM 1083 N LEU A 70 -11.157 6.743 -0.140 1.00 0.00 N ATOM 1084 CA LEU A 70 -11.246 6.701 -1.596 1.00 0.00 C ATOM 1085 C LEU A 70 -11.924 7.955 -2.137 1.00 0.00 C ATOM 1086 O LEU A 70 -12.121 8.097 -3.344 1.00 0.00 O ATOM 1087 CB LEU A 70 -12.017 5.458 -2.043 1.00 0.00 C ATOM 1088 CG LEU A 70 -11.432 4.113 -1.610 1.00 0.00 C ATOM 1089 CD1 LEU A 70 -12.334 2.971 -2.050 1.00 0.00 C ATOM 1090 CD2 LEU A 70 -10.029 3.935 -2.174 1.00 0.00 C ATOM 0 H LEU A 70 -12.053 6.654 0.340 1.00 0.00 H new ATOM 0 HA LEU A 70 -10.233 6.657 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.035 5.529 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.085 5.469 -3.131 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.369 4.100 -0.522 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.901 2.022 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -13.318 3.090 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.430 2.981 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.628 2.973 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.067 3.970 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.385 4.735 -1.808 1.00 0.00 H new ATOM 1102 N THR A 71 -12.277 8.867 -1.235 1.00 0.00 N ATOM 1103 CA THR A 71 -12.932 10.110 -1.621 1.00 0.00 C ATOM 1104 C THR A 71 -11.974 11.291 -1.516 1.00 0.00 C ATOM 1105 O THR A 71 -11.744 12.005 -2.491 1.00 0.00 O ATOM 1106 CB THR A 71 -14.170 10.388 -0.748 1.00 0.00 C ATOM 1107 OG1 THR A 71 -15.035 9.247 -0.748 1.00 0.00 O ATOM 1108 CG2 THR A 71 -14.927 11.606 -1.255 1.00 0.00 C ATOM 0 H THR A 71 -12.120 8.767 -0.232 1.00 0.00 H new ATOM 0 HA THR A 71 -13.248 9.992 -2.658 1.00 0.00 H new ATOM 0 HB THR A 71 -13.833 10.588 0.269 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.819 9.431 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.797 11.783 -0.623 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.274 12.478 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.253 11.431 -2.280 1.00 0.00 H new ATOM 1116 N ASN A 72 -11.417 11.492 -0.326 1.00 0.00 N ATOM 1117 CA ASN A 72 -10.484 12.587 -0.093 1.00 0.00 C ATOM 1118 C ASN A 72 -9.120 12.058 0.341 1.00 0.00 C ATOM 1119 O ASN A 72 -8.591 12.421 1.391 1.00 0.00 O ATOM 1120 CB ASN A 72 -11.035 13.539 0.971 1.00 0.00 C ATOM 1121 CG ASN A 72 -11.877 14.649 0.372 1.00 0.00 C ATOM 1122 OD1 ASN A 72 -11.669 15.053 -0.772 1.00 0.00 O ATOM 1123 ND2 ASN A 72 -12.833 15.150 1.147 1.00 0.00 N ATOM 0 H ASN A 72 -11.596 10.910 0.492 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.362 13.131 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.636 12.974 1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.206 13.976 1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.430 15.900 0.800 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.970 14.784 2.089 1.00 0.00 H new ATOM 1130 N PRO A 73 -8.536 11.178 -0.487 1.00 0.00 N ATOM 1131 CA PRO A 73 -7.227 10.580 -0.211 1.00 0.00 C ATOM 1132 C PRO A 73 -6.092 11.592 -0.327 1.00 0.00 C ATOM 1133 O PRO A 73 -5.922 12.231 -1.365 1.00 0.00 O ATOM 1134 CB PRO A 73 -7.095 9.502 -1.290 1.00 0.00 C ATOM 1135 CG PRO A 73 -7.964 9.973 -2.404 1.00 0.00 C ATOM 1136 CD PRO A 73 -9.110 10.700 -1.756 1.00 0.00 C ATOM 0 HA PRO A 73 -7.161 10.194 0.806 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.060 9.391 -1.615 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.419 8.529 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.414 10.632 -3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.322 9.134 -3.001 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.463 11.526 -2.374 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.961 10.040 -1.589 1.00 0.00 H new ATOM 1144 N GLN A 74 -5.317 11.731 0.744 1.00 0.00 N ATOM 1145 CA GLN A 74 -4.198 12.665 0.761 1.00 0.00 C ATOM 1146 C GLN A 74 -2.971 12.057 0.091 1.00 0.00 C ATOM 1147 O GLN A 74 -2.200 12.756 -0.568 1.00 0.00 O ATOM 1148 CB GLN A 74 -3.863 13.066 2.199 1.00 0.00 C ATOM 1149 CG GLN A 74 -4.881 14.008 2.821 1.00 0.00 C ATOM 1150 CD GLN A 74 -5.081 15.271 2.007 1.00 0.00 C ATOM 1151 OE1 GLN A 74 -4.118 15.937 1.626 1.00 0.00 O ATOM 1152 NE2 GLN A 74 -6.337 15.608 1.736 1.00 0.00 N ATOM 0 H GLN A 74 -5.444 11.209 1.611 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.491 13.554 0.202 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.791 12.167 2.811 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.882 13.542 2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -5.835 13.491 2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.556 14.276 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.105 15.027 2.072 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.534 16.448 1.192 1.00 0.00 H new ATOM 1161 N TYR A 75 -2.794 10.752 0.264 1.00 0.00 N ATOM 1162 CA TYR A 75 -1.659 10.049 -0.321 1.00 0.00 C ATOM 1163 C TYR A 75 -2.124 8.850 -1.141 1.00 0.00 C ATOM 1164 O TYR A 75 -2.860 7.994 -0.649 1.00 0.00 O ATOM 1165 CB TYR A 75 -0.696 9.590 0.775 1.00 0.00 C ATOM 1166 CG TYR A 75 -0.272 10.698 1.712 1.00 0.00 C ATOM 1167 CD1 TYR A 75 0.837 11.486 1.432 1.00 0.00 C ATOM 1168 CD2 TYR A 75 -0.982 10.958 2.878 1.00 0.00 C ATOM 1169 CE1 TYR A 75 1.228 12.499 2.286 1.00 0.00 C ATOM 1170 CE2 TYR A 75 -0.600 11.970 3.737 1.00 0.00 C ATOM 1171 CZ TYR A 75 0.506 12.737 3.437 1.00 0.00 C ATOM 1172 OH TYR A 75 0.892 13.747 4.289 1.00 0.00 O ATOM 0 H TYR A 75 -3.423 10.159 0.805 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.140 10.740 -0.985 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.169 8.797 1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.191 9.159 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.404 11.304 0.531 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -1.848 10.358 3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.094 13.101 2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.164 12.159 4.638 1.00 0.00 H new ATOM 0 HH TYR A 75 0.278 13.784 5.052 1.00 0.00 H new ATOM 1182 N THR A 76 -1.687 8.793 -2.395 1.00 0.00 N ATOM 1183 CA THR A 76 -2.057 7.700 -3.285 1.00 0.00 C ATOM 1184 C THR A 76 -0.963 6.640 -3.339 1.00 0.00 C ATOM 1185 O THR A 76 0.127 6.884 -3.857 1.00 0.00 O ATOM 1186 CB THR A 76 -2.336 8.207 -4.713 1.00 0.00 C ATOM 1187 OG1 THR A 76 -3.308 9.257 -4.678 1.00 0.00 O ATOM 1188 CG2 THR A 76 -2.834 7.077 -5.601 1.00 0.00 C ATOM 0 H THR A 76 -1.076 9.492 -2.817 1.00 0.00 H new ATOM 0 HA THR A 76 -2.967 7.258 -2.880 1.00 0.00 H new ATOM 0 HB THR A 76 -1.403 8.589 -5.128 1.00 0.00 H new ATOM 0 HG1 THR A 76 -4.178 8.889 -4.416 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.024 7.459 -6.604 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.079 6.292 -5.649 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.756 6.669 -5.187 1.00 0.00 H new ATOM 1196 N VAL A 77 -1.260 5.461 -2.802 1.00 0.00 N ATOM 1197 CA VAL A 77 -0.302 4.362 -2.791 1.00 0.00 C ATOM 1198 C VAL A 77 -0.697 3.278 -3.787 1.00 0.00 C ATOM 1199 O VAL A 77 -1.569 2.455 -3.511 1.00 0.00 O ATOM 1200 CB VAL A 77 -0.181 3.737 -1.388 1.00 0.00 C ATOM 1201 CG1 VAL A 77 0.892 4.447 -0.577 1.00 0.00 C ATOM 1202 CG2 VAL A 77 -1.521 3.780 -0.669 1.00 0.00 C ATOM 0 H VAL A 77 -2.157 5.242 -2.369 1.00 0.00 H new ATOM 0 HA VAL A 77 0.663 4.780 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 77 0.113 2.693 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.963 3.991 0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.851 4.359 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.632 5.500 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.417 3.335 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.847 4.815 -0.569 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.260 3.221 -1.243 1.00 0.00 H new ATOM 1212 N VAL A 78 -0.048 3.283 -4.947 1.00 0.00 N ATOM 1213 CA VAL A 78 -0.330 2.298 -5.985 1.00 0.00 C ATOM 1214 C VAL A 78 0.706 1.180 -5.977 1.00 0.00 C ATOM 1215 O VAL A 78 1.881 1.409 -5.694 1.00 0.00 O ATOM 1216 CB VAL A 78 -0.358 2.948 -7.381 1.00 0.00 C ATOM 1217 CG1 VAL A 78 -1.358 4.094 -7.417 1.00 0.00 C ATOM 1218 CG2 VAL A 78 1.031 3.428 -7.773 1.00 0.00 C ATOM 0 H VAL A 78 0.677 3.958 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.313 1.880 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.676 2.198 -8.106 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.364 4.541 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.353 3.716 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.074 4.848 -6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.993 3.885 -8.762 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.380 4.163 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.717 2.581 -7.791 1.00 0.00 H new ATOM 1228 N VAL A 79 0.261 -0.033 -6.291 1.00 0.00 N ATOM 1229 CA VAL A 79 1.150 -1.188 -6.323 1.00 0.00 C ATOM 1230 C VAL A 79 1.203 -1.803 -7.717 1.00 0.00 C ATOM 1231 O VAL A 79 0.293 -2.525 -8.122 1.00 0.00 O ATOM 1232 CB VAL A 79 0.706 -2.265 -5.315 1.00 0.00 C ATOM 1233 CG1 VAL A 79 -0.808 -2.417 -5.328 1.00 0.00 C ATOM 1234 CG2 VAL A 79 1.386 -3.592 -5.620 1.00 0.00 C ATOM 0 H VAL A 79 -0.709 -0.241 -6.527 1.00 0.00 H new ATOM 0 HA VAL A 79 2.143 -0.831 -6.049 1.00 0.00 H new ATOM 0 HB VAL A 79 1.007 -1.949 -4.316 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.103 -3.182 -4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.271 -1.468 -5.058 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.136 -2.710 -6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.061 -4.342 -4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.117 -3.916 -6.626 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.467 -3.470 -5.555 1.00 0.00 H new ATOM 1244 N GLU A 80 2.276 -1.512 -8.446 1.00 0.00 N ATOM 1245 CA GLU A 80 2.447 -2.036 -9.796 1.00 0.00 C ATOM 1246 C GLU A 80 3.180 -3.374 -9.770 1.00 0.00 C ATOM 1247 O GLU A 80 4.078 -3.587 -8.955 1.00 0.00 O ATOM 1248 CB GLU A 80 3.217 -1.037 -10.661 1.00 0.00 C ATOM 1249 CG GLU A 80 3.456 -1.520 -12.082 1.00 0.00 C ATOM 1250 CD GLU A 80 4.021 -0.436 -12.979 1.00 0.00 C ATOM 1251 OE1 GLU A 80 4.649 0.505 -12.451 1.00 0.00 O ATOM 1252 OE2 GLU A 80 3.835 -0.530 -14.211 1.00 0.00 O ATOM 0 H GLU A 80 3.039 -0.917 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 80 1.458 -2.191 -10.227 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.666 -0.097 -10.694 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.178 -0.827 -10.191 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.143 -2.366 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.517 -1.881 -12.502 1.00 0.00 H new ATOM 1259 N ILE A 81 2.790 -4.273 -10.668 1.00 0.00 N ATOM 1260 CA ILE A 81 3.409 -5.590 -10.749 1.00 0.00 C ATOM 1261 C ILE A 81 4.206 -5.744 -12.040 1.00 0.00 C ATOM 1262 O ILE A 81 3.633 -5.862 -13.124 1.00 0.00 O ATOM 1263 CB ILE A 81 2.358 -6.713 -10.671 1.00 0.00 C ATOM 1264 CG1 ILE A 81 1.610 -6.648 -9.338 1.00 0.00 C ATOM 1265 CG2 ILE A 81 3.020 -8.071 -10.847 1.00 0.00 C ATOM 1266 CD1 ILE A 81 2.506 -6.353 -8.155 1.00 0.00 C ATOM 0 H ILE A 81 2.048 -4.113 -11.350 1.00 0.00 H new ATOM 0 HA ILE A 81 4.082 -5.675 -9.896 1.00 0.00 H new ATOM 0 HB ILE A 81 1.638 -6.574 -11.478 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.840 -5.879 -9.400 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.101 -7.597 -9.170 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.264 -8.854 -10.789 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.512 -8.113 -11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.758 -8.221 -10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.908 -6.322 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.261 -7.134 -8.067 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.996 -5.390 -8.301 1.00 0.00 H new ATOM 1278 N ILE A 82 5.529 -5.744 -11.917 1.00 0.00 N ATOM 1279 CA ILE A 82 6.404 -5.887 -13.074 1.00 0.00 C ATOM 1280 C ILE A 82 7.449 -6.973 -12.842 1.00 0.00 C ATOM 1281 O ILE A 82 8.400 -6.783 -12.083 1.00 0.00 O ATOM 1282 CB ILE A 82 7.119 -4.564 -13.405 1.00 0.00 C ATOM 1283 CG1 ILE A 82 6.095 -3.465 -13.701 1.00 0.00 C ATOM 1284 CG2 ILE A 82 8.058 -4.752 -14.587 1.00 0.00 C ATOM 1285 CD1 ILE A 82 6.576 -2.078 -13.337 1.00 0.00 C ATOM 0 H ILE A 82 6.019 -5.647 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 82 5.771 -6.169 -13.916 1.00 0.00 H new ATOM 0 HB ILE A 82 7.709 -4.261 -12.540 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.846 -3.488 -14.762 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.177 -3.678 -13.153 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.556 -3.808 -14.809 1.00 0.00 H new ATOM 0 HG22 ILE A 82 8.804 -5.508 -14.342 1.00 0.00 H new ATOM 0 HG23 ILE A 82 7.487 -5.075 -15.458 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.800 -1.350 -13.574 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.798 -2.038 -12.271 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.477 -1.845 -13.904 1.00 0.00 H new ATOM 1297 N LYS A 83 7.267 -8.112 -13.502 1.00 0.00 N ATOM 1298 CA LYS A 83 8.195 -9.228 -13.371 1.00 0.00 C ATOM 1299 C LYS A 83 8.169 -9.795 -11.955 1.00 0.00 C ATOM 1300 O LYS A 83 9.215 -10.082 -11.372 1.00 0.00 O ATOM 1301 CB LYS A 83 9.615 -8.783 -13.727 1.00 0.00 C ATOM 1302 CG LYS A 83 9.732 -8.176 -15.115 1.00 0.00 C ATOM 1303 CD LYS A 83 9.617 -9.235 -16.198 1.00 0.00 C ATOM 1304 CE LYS A 83 10.890 -10.060 -16.309 1.00 0.00 C ATOM 1305 NZ LYS A 83 10.669 -11.323 -17.066 1.00 0.00 N ATOM 0 H LYS A 83 6.485 -8.286 -14.133 1.00 0.00 H new ATOM 0 HA LYS A 83 7.882 -10.010 -14.063 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.954 -8.054 -12.991 1.00 0.00 H new ATOM 0 HB3 LYS A 83 10.284 -9.641 -13.657 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.952 -7.427 -15.253 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.688 -7.661 -15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.775 -9.891 -15.978 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.407 -8.757 -17.155 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.662 -9.471 -16.803 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.259 -10.295 -15.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.560 -11.856 -17.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.950 -11.897 -16.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.342 -11.099 -18.027 1.00 0.00 H new ATOM 1319 N ALA A 84 6.969 -9.954 -11.408 1.00 0.00 N ATOM 1320 CA ALA A 84 6.807 -10.490 -10.062 1.00 0.00 C ATOM 1321 C ALA A 84 7.464 -9.581 -9.028 1.00 0.00 C ATOM 1322 O ALA A 84 8.194 -10.047 -8.152 1.00 0.00 O ATOM 1323 CB ALA A 84 7.388 -11.893 -9.979 1.00 0.00 C ATOM 0 H ALA A 84 6.094 -9.719 -11.876 1.00 0.00 H new ATOM 0 HA ALA A 84 5.741 -10.537 -9.842 1.00 0.00 H new ATOM 0 HB1 ALA A 84 7.260 -12.281 -8.968 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.871 -12.543 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.450 -11.862 -10.224 1.00 0.00 H new ATOM 1329 N VAL A 85 7.200 -8.283 -9.134 1.00 0.00 N ATOM 1330 CA VAL A 85 7.765 -7.309 -8.208 1.00 0.00 C ATOM 1331 C VAL A 85 6.705 -6.321 -7.736 1.00 0.00 C ATOM 1332 O VAL A 85 5.813 -5.942 -8.495 1.00 0.00 O ATOM 1333 CB VAL A 85 8.928 -6.531 -8.852 1.00 0.00 C ATOM 1334 CG1 VAL A 85 8.406 -5.313 -9.599 1.00 0.00 C ATOM 1335 CG2 VAL A 85 9.945 -6.123 -7.797 1.00 0.00 C ATOM 0 H VAL A 85 6.598 -7.881 -9.853 1.00 0.00 H new ATOM 0 HA VAL A 85 8.143 -7.868 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 85 9.425 -7.183 -9.570 1.00 0.00 H new ATOM 0 HG11 VAL A 85 9.242 -4.776 -10.047 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.719 -5.633 -10.382 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.883 -4.656 -8.904 1.00 0.00 H new ATOM 0 HG21 VAL A 85 10.760 -5.574 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.463 -5.488 -7.054 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.342 -7.014 -7.310 1.00 0.00 H new ATOM 1345 N CYS A 86 6.810 -5.906 -6.478 1.00 0.00 N ATOM 1346 CA CYS A 86 5.859 -4.960 -5.903 1.00 0.00 C ATOM 1347 C CYS A 86 6.417 -3.541 -5.936 1.00 0.00 C ATOM 1348 O CYS A 86 7.227 -3.163 -5.088 1.00 0.00 O ATOM 1349 CB CYS A 86 5.521 -5.356 -4.465 1.00 0.00 C ATOM 1350 SG CYS A 86 4.073 -6.429 -4.316 1.00 0.00 S ATOM 0 H CYS A 86 7.543 -6.209 -5.837 1.00 0.00 H new ATOM 0 HA CYS A 86 4.949 -4.987 -6.502 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.381 -5.862 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 86 5.351 -4.452 -3.881 1.00 0.00 H new ATOM 0 HG CYS A 86 3.446 -6.161 -3.209 1.00 0.00 H new ATOM 1356 N CYS A 87 5.981 -2.762 -6.919 1.00 0.00 N ATOM 1357 CA CYS A 87 6.439 -1.385 -7.063 1.00 0.00 C ATOM 1358 C CYS A 87 5.451 -0.413 -6.426 1.00 0.00 C ATOM 1359 O CYS A 87 4.435 -0.060 -7.027 1.00 0.00 O ATOM 1360 CB CYS A 87 6.629 -1.041 -8.541 1.00 0.00 C ATOM 1361 SG CYS A 87 7.928 0.177 -8.855 1.00 0.00 S ATOM 0 H CYS A 87 5.311 -3.060 -7.628 1.00 0.00 H new ATOM 0 HA CYS A 87 7.396 -1.291 -6.549 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.862 -1.954 -9.088 1.00 0.00 H new ATOM 0 HB3 CYS A 87 5.687 -0.663 -8.939 1.00 0.00 H new ATOM 0 HG CYS A 87 8.014 0.400 -10.133 1.00 0.00 H new ATOM 1367 N LEU A 88 5.753 0.013 -5.204 1.00 0.00 N ATOM 1368 CA LEU A 88 4.891 0.943 -4.483 1.00 0.00 C ATOM 1369 C LEU A 88 5.236 2.388 -4.832 1.00 0.00 C ATOM 1370 O LEU A 88 6.341 2.856 -4.558 1.00 0.00 O ATOM 1371 CB LEU A 88 5.021 0.725 -2.975 1.00 0.00 C ATOM 1372 CG LEU A 88 4.280 -0.485 -2.405 1.00 0.00 C ATOM 1373 CD1 LEU A 88 5.159 -1.725 -2.462 1.00 0.00 C ATOM 1374 CD2 LEU A 88 3.832 -0.212 -0.977 1.00 0.00 C ATOM 0 H LEU A 88 6.588 -0.271 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 88 3.861 0.753 -4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.079 0.625 -2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.660 1.619 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 88 3.394 -0.664 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.615 -2.576 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.430 -1.932 -3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.063 -1.557 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.306 -1.084 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.703 -0.006 -0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.165 0.650 -0.963 1.00 0.00 H new ATOM 1386 N SER A 89 4.281 3.089 -5.435 1.00 0.00 N ATOM 1387 CA SER A 89 4.485 4.481 -5.822 1.00 0.00 C ATOM 1388 C SER A 89 3.551 5.403 -5.044 1.00 0.00 C ATOM 1389 O SER A 89 2.329 5.277 -5.121 1.00 0.00 O ATOM 1390 CB SER A 89 4.255 4.653 -7.325 1.00 0.00 C ATOM 1391 OG SER A 89 4.706 5.921 -7.768 1.00 0.00 O ATOM 0 H SER A 89 3.360 2.717 -5.666 1.00 0.00 H new ATOM 0 HA SER A 89 5.514 4.752 -5.586 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.779 3.867 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.194 4.542 -7.549 1.00 0.00 H new ATOM 0 HG SER A 89 4.549 6.006 -8.732 1.00 0.00 H new ATOM 1397 N VAL A 90 4.136 6.331 -4.294 1.00 0.00 N ATOM 1398 CA VAL A 90 3.358 7.276 -3.502 1.00 0.00 C ATOM 1399 C VAL A 90 3.191 8.602 -4.236 1.00 0.00 C ATOM 1400 O VAL A 90 4.153 9.156 -4.767 1.00 0.00 O ATOM 1401 CB VAL A 90 4.017 7.539 -2.135 1.00 0.00 C ATOM 1402 CG1 VAL A 90 3.102 8.374 -1.252 1.00 0.00 C ATOM 1403 CG2 VAL A 90 4.375 6.226 -1.455 1.00 0.00 C ATOM 0 H VAL A 90 5.146 6.449 -4.218 1.00 0.00 H new ATOM 0 HA VAL A 90 2.378 6.825 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 90 4.937 8.101 -2.297 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.585 8.549 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.901 9.329 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.163 7.842 -1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.840 6.431 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.471 5.636 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.071 5.669 -2.082 1.00 0.00 H new ATOM 1413 N VAL A 91 1.961 9.106 -4.263 1.00 0.00 N ATOM 1414 CA VAL A 91 1.667 10.368 -4.931 1.00 0.00 C ATOM 1415 C VAL A 91 0.797 11.264 -4.055 1.00 0.00 C ATOM 1416 O VAL A 91 -0.335 10.915 -3.722 1.00 0.00 O ATOM 1417 CB VAL A 91 0.955 10.138 -6.277 1.00 0.00 C ATOM 1418 CG1 VAL A 91 0.656 11.465 -6.957 1.00 0.00 C ATOM 1419 CG2 VAL A 91 1.795 9.245 -7.178 1.00 0.00 C ATOM 0 H VAL A 91 1.153 8.660 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 91 2.623 10.860 -5.113 1.00 0.00 H new ATOM 0 HB VAL A 91 0.008 9.634 -6.086 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.153 11.282 -7.906 1.00 0.00 H new ATOM 0 HG12 VAL A 91 0.012 12.066 -6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.589 12.000 -7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.277 9.093 -8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.759 9.719 -7.364 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.952 8.282 -6.692 1.00 0.00 H new ATOM 1429 N LYS A 92 1.334 12.422 -3.686 1.00 0.00 N ATOM 1430 CA LYS A 92 0.608 13.370 -2.850 1.00 0.00 C ATOM 1431 C LYS A 92 -0.307 14.250 -3.695 1.00 0.00 C ATOM 1432 O LYS A 92 0.160 15.056 -4.500 1.00 0.00 O ATOM 1433 CB LYS A 92 1.589 14.244 -2.064 1.00 0.00 C ATOM 1434 CG LYS A 92 0.991 14.849 -0.806 1.00 0.00 C ATOM 1435 CD LYS A 92 2.069 15.265 0.180 1.00 0.00 C ATOM 1436 CE LYS A 92 1.468 15.781 1.479 1.00 0.00 C ATOM 1437 NZ LYS A 92 2.500 16.386 2.366 1.00 0.00 N ATOM 0 H LYS A 92 2.270 12.726 -3.953 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.006 12.803 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.458 13.645 -1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.945 15.047 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.385 15.715 -1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.325 14.126 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 92 2.718 14.415 0.391 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.693 16.040 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.702 16.523 1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.975 14.961 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.051 16.725 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.218 15.671 2.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 2.953 17.184 1.877 1.00 0.00 H new ATOM 1451 N SER A 93 -1.613 14.091 -3.505 1.00 0.00 N ATOM 1452 CA SER A 93 -2.595 14.870 -4.252 1.00 0.00 C ATOM 1453 C SER A 93 -3.470 15.689 -3.309 1.00 0.00 C ATOM 1454 O SER A 93 -4.430 15.179 -2.734 1.00 0.00 O ATOM 1455 CB SER A 93 -3.468 13.947 -5.104 1.00 0.00 C ATOM 1456 OG SER A 93 -4.348 14.693 -5.927 1.00 0.00 O ATOM 0 H SER A 93 -2.016 13.430 -2.841 1.00 0.00 H new ATOM 0 HA SER A 93 -2.057 15.555 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 93 -2.835 13.313 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.044 13.286 -4.456 1.00 0.00 H new ATOM 0 HG SER A 93 -4.894 14.080 -6.462 1.00 0.00 H new ATOM 1462 N GLY A 94 -3.129 16.965 -3.154 1.00 0.00 N ATOM 1463 CA GLY A 94 -3.893 17.836 -2.280 1.00 0.00 C ATOM 1464 C GLY A 94 -4.872 18.707 -3.040 1.00 0.00 C ATOM 1465 O GLY A 94 -4.610 19.138 -4.164 1.00 0.00 O ATOM 0 H GLY A 94 -2.338 17.411 -3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.437 17.231 -1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.209 18.470 -1.716 1.00 0.00 H new ATOM 1469 N PRO A 95 -6.032 18.979 -2.424 1.00 0.00 N ATOM 1470 CA PRO A 95 -7.078 19.806 -3.033 1.00 0.00 C ATOM 1471 C PRO A 95 -6.674 21.273 -3.130 1.00 0.00 C ATOM 1472 O PRO A 95 -6.101 21.832 -2.194 1.00 0.00 O ATOM 1473 CB PRO A 95 -8.263 19.639 -2.077 1.00 0.00 C ATOM 1474 CG PRO A 95 -7.646 19.296 -0.765 1.00 0.00 C ATOM 1475 CD PRO A 95 -6.411 18.499 -1.084 1.00 0.00 C ATOM 0 HA PRO A 95 -7.293 19.503 -4.058 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.850 20.555 -2.011 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -8.937 18.852 -2.415 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -7.395 20.196 -0.204 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -8.335 18.718 -0.149 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.620 18.675 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -6.613 17.428 -1.083 1.00 0.00 H new ATOM 1483 N SER A 96 -6.976 21.891 -4.267 1.00 0.00 N ATOM 1484 CA SER A 96 -6.641 23.293 -4.487 1.00 0.00 C ATOM 1485 C SER A 96 -7.901 24.124 -4.708 1.00 0.00 C ATOM 1486 O SER A 96 -8.285 24.399 -5.845 1.00 0.00 O ATOM 1487 CB SER A 96 -5.706 23.433 -5.690 1.00 0.00 C ATOM 1488 OG SER A 96 -4.528 22.665 -5.513 1.00 0.00 O ATOM 0 H SER A 96 -7.452 21.443 -5.050 1.00 0.00 H new ATOM 0 HA SER A 96 -6.134 23.664 -3.597 1.00 0.00 H new ATOM 0 HB2 SER A 96 -6.222 23.110 -6.595 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.443 24.481 -5.830 1.00 0.00 H new ATOM 0 HG SER A 96 -3.948 22.770 -6.296 1.00 0.00 H new ATOM 1494 N SER A 97 -8.540 24.522 -3.612 1.00 0.00 N ATOM 1495 CA SER A 97 -9.759 25.319 -3.685 1.00 0.00 C ATOM 1496 C SER A 97 -9.482 26.678 -4.322 1.00 0.00 C ATOM 1497 O SER A 97 -8.358 27.175 -4.287 1.00 0.00 O ATOM 1498 CB SER A 97 -10.353 25.509 -2.288 1.00 0.00 C ATOM 1499 OG SER A 97 -9.624 26.475 -1.551 1.00 0.00 O ATOM 0 H SER A 97 -8.234 24.306 -2.663 1.00 0.00 H new ATOM 0 HA SER A 97 -10.477 24.785 -4.308 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.394 25.820 -2.371 1.00 0.00 H new ATOM 0 HB3 SER A 97 -10.346 24.559 -1.754 1.00 0.00 H new ATOM 0 HG SER A 97 -10.024 26.579 -0.663 1.00 0.00 H new ATOM 1505 N GLY A 98 -10.519 27.274 -4.904 1.00 0.00 N ATOM 1506 CA GLY A 98 -10.368 28.569 -5.541 1.00 0.00 C ATOM 1507 C GLY A 98 -11.024 28.623 -6.907 1.00 0.00 C ATOM 1508 O GLY A 98 -10.495 28.084 -7.878 1.00 0.00 O ATOM 0 H GLY A 98 -11.460 26.883 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.803 29.338 -4.902 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -9.307 28.800 -5.641 1.00 0.00 H new TER 1512 GLY A 98