USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.947 K(o=-4.3,f=-8.5!) USER MOD Set 1.2: A 61 SER OG : rot -90:sc= -1.46! USER MOD Set 1.3: A 94 GLN : amide:sc= -1.88! K(o=-4.3!,f=-3.3) USER MOD Set 2.1: A 29 GLN : amide:sc= -2.04 K(o=-3.4,f=-0.5) USER MOD Set 2.2: A 92 GLN : amide:sc= -1.4! C(o=-3.4!,f=-4.2!) USER MOD Set 3.1: A 52 CYS SG : rot 82:sc= -4.36! USER MOD Set 3.2: A 59 MET CE :methyl 166:sc= -0.173 (180deg=-0.728) USER MOD Set 4.1: A 42 THR OG1 : rot -110:sc= 0.36 USER MOD Set 4.2: A 46 LYS NZ :NH3+ 163:sc= 0.28 (180deg=-0.527) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0786 (180deg=-0.46) USER MOD Single : A 1 MET N :NH3+ 174:sc=-0.00378 (180deg=-0.0741) USER MOD Single : A 2 SER OG : rot -13:sc= 0.904 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 56:sc= 0.0115 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0272 USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 1.26 (180deg=1.11) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= 1.24 (180deg=1.07) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 2.47 (180deg=2.39) USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.09) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -69:sc= -1.31 USER MOD Single : A 35 HIS : no HD1:sc= -1.04 K(o=-1,f=-1.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -165:sc= -2.6 (180deg=-3.13) USER MOD Single : A 41 THR OG1 : rot -38:sc= 0.864 USER MOD Single : A 43 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.02) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0.657 (180deg=0.341) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 30:sc= -2.24 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 55 GLN : amide:sc= -4.54! C(o=-4.5!,f=-3.1!) USER MOD Single : A 69 GLN : amide:sc= -1.83! X(o=-1.8!,f=-1.5) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.73! C(o=-1.7!,f=-3.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 155:sc= -0.879 (180deg=-2.03) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.729 -16.557 7.849 1.00 0.00 N ATOM 2 CA MET A 1 10.958 -15.793 8.165 1.00 0.00 C ATOM 3 C MET A 1 11.813 -15.599 6.914 1.00 0.00 C ATOM 4 O MET A 1 12.995 -15.953 6.880 1.00 0.00 O ATOM 5 CB MET A 1 11.767 -16.497 9.264 1.00 0.00 C ATOM 6 CG MET A 1 12.144 -17.943 8.942 1.00 0.00 C ATOM 7 SD MET A 1 13.127 -18.720 10.242 1.00 0.00 S ATOM 8 CE MET A 1 14.634 -17.751 10.158 1.00 0.00 C ATOM 0 H1 MET A 1 9.214 -16.765 8.728 1.00 0.00 H new ATOM 0 H2 MET A 1 9.123 -15.995 7.218 1.00 0.00 H new ATOM 0 H3 MET A 1 9.986 -17.449 7.379 1.00 0.00 H new ATOM 0 HA MET A 1 10.660 -14.811 8.532 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.679 -15.929 9.448 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.190 -16.482 10.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.235 -18.524 8.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.703 -17.968 8.007 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.441 -18.290 10.654 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.899 -17.581 9.115 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.479 -16.793 10.654 1.00 0.00 H new ATOM 18 N SER A 2 11.234 -14.979 5.903 1.00 0.00 N ATOM 19 CA SER A 2 11.898 -14.797 4.610 1.00 0.00 C ATOM 20 C SER A 2 11.173 -13.748 3.769 1.00 0.00 C ATOM 21 O SER A 2 11.786 -13.042 2.969 1.00 0.00 O ATOM 22 CB SER A 2 11.973 -16.123 3.828 1.00 0.00 C ATOM 23 OG SER A 2 12.731 -17.105 4.527 1.00 0.00 O ATOM 0 H SER A 2 10.294 -14.586 5.946 1.00 0.00 H new ATOM 0 HA SER A 2 12.912 -14.453 4.812 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.965 -16.499 3.652 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.422 -15.944 2.851 1.00 0.00 H new ATOM 0 HG SER A 2 13.223 -16.678 5.259 1.00 0.00 H new ATOM 29 N ASP A 3 9.865 -13.631 3.964 1.00 0.00 N ATOM 30 CA ASP A 3 9.049 -12.683 3.198 1.00 0.00 C ATOM 31 C ASP A 3 9.259 -11.252 3.666 1.00 0.00 C ATOM 32 O ASP A 3 8.610 -10.330 3.173 1.00 0.00 O ATOM 33 CB ASP A 3 7.559 -13.030 3.304 1.00 0.00 C ATOM 34 CG ASP A 3 7.225 -14.401 2.767 1.00 0.00 C ATOM 35 OD1 ASP A 3 7.169 -14.568 1.535 1.00 0.00 O ATOM 36 OD2 ASP A 3 7.015 -15.323 3.581 1.00 0.00 O ATOM 0 H ASP A 3 9.341 -14.180 4.646 1.00 0.00 H new ATOM 0 HA ASP A 3 9.369 -12.762 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.253 -12.972 4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.980 -12.284 2.760 1.00 0.00 H new ATOM 41 N GLN A 4 10.160 -11.047 4.615 1.00 0.00 N ATOM 42 CA GLN A 4 10.413 -9.735 5.163 1.00 0.00 C ATOM 43 C GLN A 4 11.721 -9.780 5.941 1.00 0.00 C ATOM 44 O GLN A 4 12.316 -10.855 6.107 1.00 0.00 O ATOM 45 CB GLN A 4 9.266 -9.337 6.097 1.00 0.00 C ATOM 46 CG GLN A 4 9.132 -10.246 7.308 1.00 0.00 C ATOM 47 CD GLN A 4 7.695 -10.512 7.672 1.00 0.00 C ATOM 48 OE1 GLN A 4 7.093 -9.795 8.465 1.00 0.00 O ATOM 49 NE2 GLN A 4 7.140 -11.555 7.095 1.00 0.00 N ATOM 0 H GLN A 4 10.732 -11.787 5.022 1.00 0.00 H new ATOM 0 HA GLN A 4 10.483 -9.001 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 4 9.422 -8.313 6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 4 8.331 -9.349 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 4 9.633 -11.192 7.105 1.00 0.00 H new ATOM 0 HG3 GLN A 4 9.641 -9.791 8.158 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.679 -12.123 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 4 6.170 -11.796 7.301 1.00 0.00 H new ATOM 58 N GLU A 5 12.180 -8.645 6.411 1.00 0.00 N ATOM 59 CA GLU A 5 13.391 -8.590 7.203 1.00 0.00 C ATOM 60 C GLU A 5 13.052 -8.234 8.644 1.00 0.00 C ATOM 61 O GLU A 5 11.924 -7.824 8.944 1.00 0.00 O ATOM 62 CB GLU A 5 14.410 -7.585 6.612 1.00 0.00 C ATOM 63 CG GLU A 5 13.936 -6.129 6.559 1.00 0.00 C ATOM 64 CD GLU A 5 12.814 -5.900 5.564 1.00 0.00 C ATOM 65 OE1 GLU A 5 13.104 -5.702 4.368 1.00 0.00 O ATOM 66 OE2 GLU A 5 11.637 -5.926 5.975 1.00 0.00 O ATOM 0 H GLU A 5 11.732 -7.741 6.259 1.00 0.00 H new ATOM 0 HA GLU A 5 13.858 -9.575 7.182 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.325 -7.631 7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 5 14.666 -7.904 5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.600 -5.827 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.779 -5.489 6.299 1.00 0.00 H new ATOM 73 N ALA A 6 14.011 -8.388 9.537 1.00 0.00 N ATOM 74 CA ALA A 6 13.810 -8.076 10.939 1.00 0.00 C ATOM 75 C ALA A 6 15.138 -7.768 11.588 1.00 0.00 C ATOM 76 O ALA A 6 16.115 -8.485 11.392 1.00 0.00 O ATOM 77 CB ALA A 6 13.120 -9.229 11.658 1.00 0.00 C ATOM 0 H ALA A 6 14.945 -8.731 9.313 1.00 0.00 H new ATOM 0 HA ALA A 6 13.165 -7.200 11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.980 -8.972 12.708 1.00 0.00 H new ATOM 0 HB2 ALA A 6 12.150 -9.416 11.198 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.736 -10.125 11.583 1.00 0.00 H new ATOM 83 N LYS A 7 15.191 -6.695 12.342 1.00 0.00 N ATOM 84 CA LYS A 7 16.419 -6.287 12.994 1.00 0.00 C ATOM 85 C LYS A 7 16.121 -5.418 14.210 1.00 0.00 C ATOM 86 O LYS A 7 15.043 -4.822 14.302 1.00 0.00 O ATOM 87 CB LYS A 7 17.292 -5.523 11.994 1.00 0.00 C ATOM 88 CG LYS A 7 16.566 -4.375 11.311 1.00 0.00 C ATOM 89 CD LYS A 7 17.414 -3.734 10.231 1.00 0.00 C ATOM 90 CE LYS A 7 17.720 -4.708 9.098 1.00 0.00 C ATOM 91 NZ LYS A 7 18.563 -4.085 8.047 1.00 0.00 N ATOM 0 H LYS A 7 14.394 -6.084 12.521 1.00 0.00 H new ATOM 0 HA LYS A 7 16.952 -7.174 13.337 1.00 0.00 H new ATOM 0 HB2 LYS A 7 18.168 -5.132 12.512 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.654 -6.217 11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.637 -4.742 10.874 1.00 0.00 H new ATOM 0 HG3 LYS A 7 16.295 -3.624 12.053 1.00 0.00 H new ATOM 0 HD2 LYS A 7 16.895 -2.863 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 7 18.348 -3.377 10.666 1.00 0.00 H new ATOM 0 HE2 LYS A 7 18.229 -5.584 9.500 1.00 0.00 H new ATOM 0 HE3 LYS A 7 16.786 -5.056 8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.749 -4.779 7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 18.067 -3.264 7.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 19.464 -3.776 8.463 1.00 0.00 H new ATOM 105 N PRO A 8 17.065 -5.347 15.172 1.00 0.00 N ATOM 106 CA PRO A 8 16.920 -4.499 16.361 1.00 0.00 C ATOM 107 C PRO A 8 16.922 -3.012 15.997 1.00 0.00 C ATOM 108 O PRO A 8 16.933 -2.643 14.816 1.00 0.00 O ATOM 109 CB PRO A 8 18.162 -4.844 17.201 1.00 0.00 C ATOM 110 CG PRO A 8 19.142 -5.390 16.224 1.00 0.00 C ATOM 111 CD PRO A 8 18.333 -6.102 15.184 1.00 0.00 C ATOM 0 HA PRO A 8 15.979 -4.675 16.882 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.556 -3.962 17.705 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.926 -5.575 17.975 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.735 -4.591 15.778 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.840 -6.072 16.710 1.00 0.00 H new ATOM 0 HD2 PRO A 8 18.822 -6.084 14.210 1.00 0.00 H new ATOM 0 HD3 PRO A 8 18.176 -7.149 15.442 1.00 0.00 H new ATOM 119 N SER A 9 16.943 -2.153 16.989 1.00 0.00 N ATOM 120 CA SER A 9 16.912 -0.737 16.734 1.00 0.00 C ATOM 121 C SER A 9 18.317 -0.159 16.634 1.00 0.00 C ATOM 122 O SER A 9 18.859 0.374 17.607 1.00 0.00 O ATOM 123 CB SER A 9 16.090 -0.013 17.800 1.00 0.00 C ATOM 124 OG SER A 9 16.386 -0.508 19.099 1.00 0.00 O ATOM 0 H SER A 9 16.981 -2.411 17.975 1.00 0.00 H new ATOM 0 HA SER A 9 16.428 -0.581 15.770 1.00 0.00 H new ATOM 0 HB2 SER A 9 16.297 1.056 17.759 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.027 -0.140 17.593 1.00 0.00 H new ATOM 0 HG SER A 9 17.349 -0.435 19.265 1.00 0.00 H new ATOM 130 N THR A 10 18.936 -0.332 15.464 1.00 0.00 N ATOM 131 CA THR A 10 20.257 0.214 15.178 1.00 0.00 C ATOM 132 C THR A 10 20.296 1.698 15.532 1.00 0.00 C ATOM 133 O THR A 10 21.106 2.146 16.348 1.00 0.00 O ATOM 134 CB THR A 10 20.581 0.049 13.680 1.00 0.00 C ATOM 135 OG1 THR A 10 20.201 -1.268 13.246 1.00 0.00 O ATOM 136 CG2 THR A 10 22.063 0.260 13.415 1.00 0.00 C ATOM 0 H THR A 10 18.531 -0.857 14.689 1.00 0.00 H new ATOM 0 HA THR A 10 20.993 -0.325 15.775 1.00 0.00 H new ATOM 0 HB THR A 10 20.020 0.800 13.124 1.00 0.00 H new ATOM 0 HG1 THR A 10 20.406 -1.370 12.293 1.00 0.00 H new ATOM 0 HG21 THR A 10 22.263 0.138 12.351 1.00 0.00 H new ATOM 0 HG22 THR A 10 22.348 1.265 13.725 1.00 0.00 H new ATOM 0 HG23 THR A 10 22.641 -0.472 13.979 1.00 0.00 H new ATOM 144 N GLU A 11 19.402 2.450 14.931 1.00 0.00 N ATOM 145 CA GLU A 11 19.273 3.852 15.217 1.00 0.00 C ATOM 146 C GLU A 11 18.043 4.033 16.087 1.00 0.00 C ATOM 147 O GLU A 11 16.987 3.446 15.817 1.00 0.00 O ATOM 148 CB GLU A 11 19.149 4.640 13.915 1.00 0.00 C ATOM 149 CG GLU A 11 19.867 5.981 13.933 1.00 0.00 C ATOM 150 CD GLU A 11 19.237 6.976 14.865 1.00 0.00 C ATOM 151 OE1 GLU A 11 18.324 7.706 14.421 1.00 0.00 O ATOM 152 OE2 GLU A 11 19.657 7.044 16.041 1.00 0.00 O ATOM 0 H GLU A 11 18.746 2.103 14.231 1.00 0.00 H new ATOM 0 HA GLU A 11 20.152 4.225 15.742 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.547 4.037 13.098 1.00 0.00 H new ATOM 0 HB3 GLU A 11 18.093 4.808 13.703 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.906 5.826 14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 11 19.878 6.394 12.924 1.00 0.00 H new ATOM 159 N ASP A 12 18.153 4.825 17.126 1.00 0.00 N ATOM 160 CA ASP A 12 17.066 4.947 18.077 1.00 0.00 C ATOM 161 C ASP A 12 16.676 6.395 18.330 1.00 0.00 C ATOM 162 O ASP A 12 17.526 7.275 18.475 1.00 0.00 O ATOM 163 CB ASP A 12 17.436 4.257 19.386 1.00 0.00 C ATOM 164 CG ASP A 12 16.322 4.304 20.401 1.00 0.00 C ATOM 165 OD1 ASP A 12 15.224 3.780 20.108 1.00 0.00 O ATOM 166 OD2 ASP A 12 16.537 4.857 21.496 1.00 0.00 O ATOM 0 H ASP A 12 18.975 5.391 17.337 1.00 0.00 H new ATOM 0 HA ASP A 12 16.196 4.456 17.641 1.00 0.00 H new ATOM 0 HB2 ASP A 12 17.695 3.218 19.184 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.324 4.731 19.804 1.00 0.00 H new ATOM 171 N LEU A 13 15.381 6.631 18.406 1.00 0.00 N ATOM 172 CA LEU A 13 14.851 7.958 18.631 1.00 0.00 C ATOM 173 C LEU A 13 14.402 8.117 20.069 1.00 0.00 C ATOM 174 O LEU A 13 13.969 7.161 20.707 1.00 0.00 O ATOM 175 CB LEU A 13 13.674 8.234 17.700 1.00 0.00 C ATOM 176 CG LEU A 13 13.958 8.139 16.200 1.00 0.00 C ATOM 177 CD1 LEU A 13 12.710 8.474 15.411 1.00 0.00 C ATOM 178 CD2 LEU A 13 15.100 9.065 15.809 1.00 0.00 C ATOM 0 H LEU A 13 14.668 5.907 18.313 1.00 0.00 H new ATOM 0 HA LEU A 13 15.646 8.674 18.423 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.875 7.533 17.942 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.296 9.234 17.914 1.00 0.00 H new ATOM 0 HG LEU A 13 14.255 7.116 15.968 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.924 8.403 14.345 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.917 7.772 15.669 1.00 0.00 H new ATOM 0 HD13 LEU A 13 12.390 9.488 15.650 1.00 0.00 H new ATOM 0 HD21 LEU A 13 15.286 8.982 14.738 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.834 10.094 16.052 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.000 8.784 16.356 1.00 0.00 H new ATOM 190 N GLY A 14 14.518 9.310 20.586 1.00 0.00 N ATOM 191 CA GLY A 14 14.078 9.566 21.938 1.00 0.00 C ATOM 192 C GLY A 14 12.630 9.986 21.982 1.00 0.00 C ATOM 193 O GLY A 14 11.920 9.719 22.949 1.00 0.00 O ATOM 0 H GLY A 14 14.910 10.117 20.100 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.215 8.669 22.542 1.00 0.00 H new ATOM 0 HA3 GLY A 14 14.697 10.346 22.381 1.00 0.00 H new ATOM 197 N ASP A 15 12.183 10.643 20.934 1.00 0.00 N ATOM 198 CA ASP A 15 10.802 11.081 20.833 1.00 0.00 C ATOM 199 C ASP A 15 10.052 10.207 19.844 1.00 0.00 C ATOM 200 O ASP A 15 10.268 10.284 18.628 1.00 0.00 O ATOM 201 CB ASP A 15 10.736 12.540 20.405 1.00 0.00 C ATOM 202 CG ASP A 15 9.323 13.062 20.357 1.00 0.00 C ATOM 203 OD1 ASP A 15 8.750 13.343 21.429 1.00 0.00 O ATOM 204 OD2 ASP A 15 8.777 13.196 19.250 1.00 0.00 O ATOM 0 H ASP A 15 12.761 10.889 20.130 1.00 0.00 H new ATOM 0 HA ASP A 15 10.333 10.989 21.813 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.321 13.146 21.097 1.00 0.00 H new ATOM 0 HB3 ASP A 15 11.194 12.648 19.422 1.00 0.00 H new ATOM 209 N LYS A 16 9.179 9.365 20.356 1.00 0.00 N ATOM 210 CA LYS A 16 8.452 8.422 19.526 1.00 0.00 C ATOM 211 C LYS A 16 6.951 8.594 19.654 1.00 0.00 C ATOM 212 O LYS A 16 6.417 8.715 20.755 1.00 0.00 O ATOM 213 CB LYS A 16 8.830 6.995 19.895 1.00 0.00 C ATOM 214 CG LYS A 16 10.284 6.659 19.630 1.00 0.00 C ATOM 215 CD LYS A 16 10.692 5.382 20.336 1.00 0.00 C ATOM 216 CE LYS A 16 12.096 4.977 19.954 1.00 0.00 C ATOM 217 NZ LYS A 16 12.573 3.814 20.733 1.00 0.00 N ATOM 0 H LYS A 16 8.953 9.313 21.349 1.00 0.00 H new ATOM 0 HA LYS A 16 8.729 8.623 18.491 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.616 6.834 20.952 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.199 6.305 19.334 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.445 6.551 18.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.916 7.481 19.966 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.631 5.524 21.415 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.997 4.583 20.080 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.127 4.738 18.891 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.771 5.819 20.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.568 3.624 20.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.489 4.019 21.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.997 2.980 20.499 1.00 0.00 H new ATOM 231 N LYS A 17 6.281 8.595 18.511 1.00 0.00 N ATOM 232 CA LYS A 17 4.832 8.702 18.422 1.00 0.00 C ATOM 233 C LYS A 17 4.435 8.747 16.952 1.00 0.00 C ATOM 234 O LYS A 17 5.303 8.735 16.077 1.00 0.00 O ATOM 235 CB LYS A 17 4.293 9.960 19.160 1.00 0.00 C ATOM 236 CG LYS A 17 4.268 11.261 18.341 1.00 0.00 C ATOM 237 CD LYS A 17 5.603 12.006 18.327 1.00 0.00 C ATOM 238 CE LYS A 17 6.524 11.517 17.223 1.00 0.00 C ATOM 239 NZ LYS A 17 7.677 12.427 17.028 1.00 0.00 N ATOM 0 H LYS A 17 6.738 8.520 17.602 1.00 0.00 H new ATOM 0 HA LYS A 17 4.391 7.833 18.910 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.280 9.750 19.503 1.00 0.00 H new ATOM 0 HB3 LYS A 17 4.902 10.125 20.049 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.981 11.028 17.315 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.499 11.919 18.745 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.420 13.073 18.199 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.096 11.881 19.291 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.886 10.518 17.467 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.964 11.435 16.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.514 11.873 16.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.456 13.111 16.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.871 12.936 17.914 1.00 0.00 H new ATOM 253 N GLU A 18 3.146 8.805 16.674 1.00 0.00 N ATOM 254 CA GLU A 18 2.666 8.917 15.308 1.00 0.00 C ATOM 255 C GLU A 18 1.234 9.414 15.281 1.00 0.00 C ATOM 256 O GLU A 18 0.454 9.164 16.203 1.00 0.00 O ATOM 257 CB GLU A 18 2.804 7.597 14.528 1.00 0.00 C ATOM 258 CG GLU A 18 2.049 6.423 15.120 1.00 0.00 C ATOM 259 CD GLU A 18 2.055 5.224 14.199 1.00 0.00 C ATOM 260 OE1 GLU A 18 3.032 4.440 14.232 1.00 0.00 O ATOM 261 OE2 GLU A 18 1.086 5.055 13.433 1.00 0.00 O ATOM 0 H GLU A 18 2.409 8.776 17.379 1.00 0.00 H new ATOM 0 HA GLU A 18 3.299 9.649 14.806 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.456 7.757 13.508 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.861 7.337 14.467 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.496 6.149 16.075 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.020 6.719 15.323 1.00 0.00 H new ATOM 268 N GLY A 19 0.897 10.134 14.235 1.00 0.00 N ATOM 269 CA GLY A 19 -0.426 10.673 14.087 1.00 0.00 C ATOM 270 C GLY A 19 -0.531 11.492 12.832 1.00 0.00 C ATOM 271 O GLY A 19 0.434 11.566 12.059 1.00 0.00 O ATOM 0 H GLY A 19 1.532 10.359 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.153 9.861 14.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.671 11.291 14.951 1.00 0.00 H new ATOM 275 N GLU A 20 -1.701 12.095 12.602 1.00 0.00 N ATOM 276 CA GLU A 20 -1.933 12.942 11.424 1.00 0.00 C ATOM 277 C GLU A 20 -1.885 12.108 10.153 1.00 0.00 C ATOM 278 O GLU A 20 -1.300 12.507 9.146 1.00 0.00 O ATOM 279 CB GLU A 20 -0.903 14.081 11.357 1.00 0.00 C ATOM 280 CG GLU A 20 -0.936 15.011 12.553 1.00 0.00 C ATOM 281 CD GLU A 20 -2.264 15.705 12.703 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.537 16.637 11.931 1.00 0.00 O ATOM 283 OE2 GLU A 20 -3.046 15.315 13.592 1.00 0.00 O ATOM 0 H GLU A 20 -2.508 12.012 13.220 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.925 13.385 11.513 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.095 13.651 11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.078 14.663 10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.722 14.443 13.458 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.148 15.757 12.451 1.00 0.00 H new ATOM 290 N TYR A 21 -2.515 10.952 10.191 1.00 0.00 N ATOM 291 CA TYR A 21 -2.504 10.054 9.060 1.00 0.00 C ATOM 292 C TYR A 21 -3.912 9.691 8.613 1.00 0.00 C ATOM 293 O TYR A 21 -4.891 9.910 9.327 1.00 0.00 O ATOM 294 CB TYR A 21 -1.699 8.783 9.384 1.00 0.00 C ATOM 295 CG TYR A 21 -2.117 8.083 10.662 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.307 7.372 10.736 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.316 8.135 11.793 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.687 6.736 11.896 1.00 0.00 C ATOM 299 CE2 TYR A 21 -1.688 7.501 12.960 1.00 0.00 C ATOM 300 CZ TYR A 21 -2.873 6.803 13.008 1.00 0.00 C ATOM 301 OH TYR A 21 -3.250 6.169 14.173 1.00 0.00 O ATOM 0 H TYR A 21 -3.042 10.614 10.996 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.020 10.576 8.235 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.797 8.084 8.553 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.644 9.045 9.457 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.946 7.317 9.867 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.385 8.681 11.759 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.617 6.188 11.936 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.053 7.552 13.832 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.566 6.313 14.860 1.00 0.00 H new ATOM 311 N ILE A 22 -4.002 9.140 7.424 1.00 0.00 N ATOM 312 CA ILE A 22 -5.252 8.696 6.859 1.00 0.00 C ATOM 313 C ILE A 22 -5.245 7.186 6.748 1.00 0.00 C ATOM 314 O ILE A 22 -4.243 6.533 7.013 1.00 0.00 O ATOM 315 CB ILE A 22 -5.524 9.313 5.465 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.532 8.773 4.439 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.461 10.835 5.533 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.769 9.278 3.031 1.00 0.00 C ATOM 0 H ILE A 22 -3.198 8.986 6.816 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.048 9.029 7.525 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.528 9.028 5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.522 9.045 4.747 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.583 7.684 4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.655 11.252 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.212 11.199 6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.471 11.144 5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.024 8.850 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.765 8.983 2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.688 10.365 3.016 1.00 0.00 H new ATOM 330 N LYS A 23 -6.351 6.633 6.385 1.00 0.00 N ATOM 331 CA LYS A 23 -6.468 5.198 6.268 1.00 0.00 C ATOM 332 C LYS A 23 -6.649 4.824 4.814 1.00 0.00 C ATOM 333 O LYS A 23 -7.198 5.584 4.055 1.00 0.00 O ATOM 334 CB LYS A 23 -7.671 4.716 7.078 1.00 0.00 C ATOM 335 CG LYS A 23 -7.639 5.142 8.544 1.00 0.00 C ATOM 336 CD LYS A 23 -8.995 5.673 9.012 1.00 0.00 C ATOM 337 CE LYS A 23 -9.337 7.004 8.341 1.00 0.00 C ATOM 338 NZ LYS A 23 -10.637 7.561 8.811 1.00 0.00 N ATOM 0 H LYS A 23 -7.202 7.148 6.159 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.563 4.726 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.583 5.098 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.719 3.628 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.348 4.293 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.880 5.912 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.771 4.941 8.787 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.983 5.802 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.543 7.723 8.542 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.374 6.864 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.638 8.593 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.413 7.144 8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.768 7.334 9.817 1.00 0.00 H new ATOM 352 N LEU A 24 -6.122 3.705 4.406 1.00 0.00 N ATOM 353 CA LEU A 24 -6.370 3.219 3.059 1.00 0.00 C ATOM 354 C LEU A 24 -6.553 1.718 3.055 1.00 0.00 C ATOM 355 O LEU A 24 -6.149 1.019 3.996 1.00 0.00 O ATOM 356 CB LEU A 24 -5.262 3.631 2.077 1.00 0.00 C ATOM 357 CG LEU A 24 -5.135 5.129 1.791 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.052 5.745 2.652 1.00 0.00 C ATOM 359 CD2 LEU A 24 -4.863 5.379 0.318 1.00 0.00 C ATOM 0 H LEU A 24 -5.521 3.108 4.974 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.293 3.687 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.309 3.275 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.433 3.115 1.132 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.083 5.605 2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.976 6.810 2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.301 5.606 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.098 5.262 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.777 6.451 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.933 4.888 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.684 4.978 -0.277 1.00 0.00 H new ATOM 371 N LYS A 25 -7.165 1.213 2.010 1.00 0.00 N ATOM 372 CA LYS A 25 -7.418 -0.199 1.895 1.00 0.00 C ATOM 373 C LYS A 25 -7.019 -0.704 0.528 1.00 0.00 C ATOM 374 O LYS A 25 -7.181 -0.020 -0.479 1.00 0.00 O ATOM 375 CB LYS A 25 -8.893 -0.499 2.187 1.00 0.00 C ATOM 376 CG LYS A 25 -9.249 -1.985 2.232 1.00 0.00 C ATOM 377 CD LYS A 25 -9.807 -2.490 0.911 1.00 0.00 C ATOM 378 CE LYS A 25 -11.142 -1.834 0.556 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.255 -2.281 1.431 1.00 0.00 N ATOM 0 H LYS A 25 -7.499 1.767 1.222 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.811 -0.724 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.159 -0.047 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.505 -0.016 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.360 -2.561 2.491 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.981 -2.156 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.086 -2.295 0.117 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.939 -3.571 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.040 -0.751 0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.388 -2.061 -0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.101 -1.708 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.464 -3.282 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.981 -2.166 2.428 1.00 0.00 H new ATOM 393 N VAL A 26 -6.483 -1.891 0.492 1.00 0.00 N ATOM 394 CA VAL A 26 -6.055 -2.497 -0.745 1.00 0.00 C ATOM 395 C VAL A 26 -6.841 -3.754 -1.020 1.00 0.00 C ATOM 396 O VAL A 26 -7.165 -4.506 -0.102 1.00 0.00 O ATOM 397 CB VAL A 26 -4.520 -2.812 -0.715 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.198 -4.170 -1.337 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.749 -1.719 -1.431 1.00 0.00 C ATOM 0 H VAL A 26 -6.329 -2.469 1.318 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.242 -1.785 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.217 -2.850 0.331 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.123 -4.344 -1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.716 -4.955 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.526 -4.181 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.684 -1.948 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.081 -1.659 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.928 -0.764 -0.937 1.00 0.00 H new ATOM 409 N ILE A 27 -7.180 -3.972 -2.275 1.00 0.00 N ATOM 410 CA ILE A 27 -7.825 -5.195 -2.671 1.00 0.00 C ATOM 411 C ILE A 27 -6.796 -6.042 -3.363 1.00 0.00 C ATOM 412 O ILE A 27 -6.295 -5.678 -4.426 1.00 0.00 O ATOM 413 CB ILE A 27 -9.011 -4.963 -3.639 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.064 -4.048 -3.007 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.634 -6.303 -4.032 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.731 -4.637 -1.784 1.00 0.00 C ATOM 0 H ILE A 27 -7.016 -3.312 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.229 -5.675 -1.780 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.633 -4.471 -4.535 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.594 -3.104 -2.733 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.827 -3.820 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.468 -6.131 -4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.884 -6.922 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.995 -6.813 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.464 -3.931 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.232 -5.567 -2.055 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.979 -4.839 -1.021 1.00 0.00 H new ATOM 428 N GLY A 28 -6.462 -7.164 -2.779 1.00 0.00 N ATOM 429 CA GLY A 28 -5.452 -7.987 -3.351 1.00 0.00 C ATOM 430 C GLY A 28 -6.027 -8.926 -4.363 1.00 0.00 C ATOM 431 O GLY A 28 -7.234 -9.146 -4.400 1.00 0.00 O ATOM 0 H GLY A 28 -6.875 -7.518 -1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.693 -7.362 -3.821 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.954 -8.555 -2.565 1.00 0.00 H new ATOM 435 N GLN A 29 -5.174 -9.479 -5.196 1.00 0.00 N ATOM 436 CA GLN A 29 -5.578 -10.460 -6.197 1.00 0.00 C ATOM 437 C GLN A 29 -6.372 -11.626 -5.583 1.00 0.00 C ATOM 438 O GLN A 29 -7.249 -12.206 -6.224 1.00 0.00 O ATOM 439 CB GLN A 29 -4.351 -10.992 -6.958 1.00 0.00 C ATOM 440 CG GLN A 29 -3.009 -10.957 -6.188 1.00 0.00 C ATOM 441 CD GLN A 29 -3.036 -11.665 -4.827 1.00 0.00 C ATOM 442 OE1 GLN A 29 -2.886 -12.873 -4.742 1.00 0.00 O ATOM 443 NE2 GLN A 29 -3.154 -10.896 -3.752 1.00 0.00 N ATOM 0 H GLN A 29 -4.177 -9.265 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.239 -9.949 -6.897 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.550 -12.022 -7.255 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.237 -10.413 -7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.238 -11.416 -6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.719 -9.917 -6.036 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.278 -9.889 -3.856 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.120 -11.312 -2.821 1.00 0.00 H new ATOM 452 N ASP A 30 -6.080 -11.941 -4.337 1.00 0.00 N ATOM 453 CA ASP A 30 -6.741 -13.033 -3.632 1.00 0.00 C ATOM 454 C ASP A 30 -7.940 -12.501 -2.837 1.00 0.00 C ATOM 455 O ASP A 30 -8.493 -13.187 -1.983 1.00 0.00 O ATOM 456 CB ASP A 30 -5.727 -13.715 -2.698 1.00 0.00 C ATOM 457 CG ASP A 30 -6.255 -14.970 -2.027 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.620 -15.926 -2.742 1.00 0.00 O ATOM 459 OD2 ASP A 30 -6.286 -15.010 -0.778 1.00 0.00 O ATOM 0 H ASP A 30 -5.379 -11.451 -3.781 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.112 -13.764 -4.351 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.835 -13.969 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.421 -13.005 -1.929 1.00 0.00 H new ATOM 464 N SER A 31 -8.335 -11.253 -3.142 1.00 0.00 N ATOM 465 CA SER A 31 -9.451 -10.558 -2.474 1.00 0.00 C ATOM 466 C SER A 31 -8.994 -10.132 -1.106 1.00 0.00 C ATOM 467 O SER A 31 -9.780 -9.865 -0.197 1.00 0.00 O ATOM 468 CB SER A 31 -10.703 -11.444 -2.397 1.00 0.00 C ATOM 469 OG SER A 31 -11.073 -11.904 -3.691 1.00 0.00 O ATOM 0 H SER A 31 -7.885 -10.692 -3.866 1.00 0.00 H new ATOM 0 HA SER A 31 -9.733 -9.680 -3.056 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.513 -12.295 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.526 -10.882 -1.956 1.00 0.00 H new ATOM 0 HG SER A 31 -11.871 -12.468 -3.622 1.00 0.00 H new ATOM 475 N SER A 32 -7.694 -10.062 -0.994 1.00 0.00 N ATOM 476 CA SER A 32 -6.999 -9.701 0.196 1.00 0.00 C ATOM 477 C SER A 32 -7.208 -8.228 0.550 1.00 0.00 C ATOM 478 O SER A 32 -6.518 -7.359 0.023 1.00 0.00 O ATOM 479 CB SER A 32 -5.533 -9.955 -0.060 1.00 0.00 C ATOM 480 OG SER A 32 -5.350 -11.172 -0.770 1.00 0.00 O ATOM 0 H SER A 32 -7.068 -10.267 -1.773 1.00 0.00 H new ATOM 0 HA SER A 32 -7.375 -10.288 1.034 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.110 -9.128 -0.631 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.995 -9.997 0.887 1.00 0.00 H new ATOM 0 HG SER A 32 -5.577 -11.927 -0.188 1.00 0.00 H new ATOM 486 N GLU A 33 -8.178 -7.931 1.404 1.00 0.00 N ATOM 487 CA GLU A 33 -8.385 -6.560 1.831 1.00 0.00 C ATOM 488 C GLU A 33 -7.435 -6.212 2.946 1.00 0.00 C ATOM 489 O GLU A 33 -7.628 -6.614 4.099 1.00 0.00 O ATOM 490 CB GLU A 33 -9.797 -6.312 2.316 1.00 0.00 C ATOM 491 CG GLU A 33 -10.886 -6.571 1.307 1.00 0.00 C ATOM 492 CD GLU A 33 -12.206 -6.021 1.783 1.00 0.00 C ATOM 493 OE1 GLU A 33 -12.839 -6.660 2.649 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.601 -4.931 1.324 1.00 0.00 O ATOM 0 H GLU A 33 -8.823 -8.611 1.808 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.204 -5.934 0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.978 -6.940 3.189 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.872 -5.276 2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.620 -6.114 0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.977 -7.643 1.132 1.00 0.00 H new ATOM 501 N ILE A 34 -6.423 -5.469 2.627 1.00 0.00 N ATOM 502 CA ILE A 34 -5.472 -5.048 3.617 1.00 0.00 C ATOM 503 C ILE A 34 -5.786 -3.623 4.027 1.00 0.00 C ATOM 504 O ILE A 34 -6.044 -2.767 3.181 1.00 0.00 O ATOM 505 CB ILE A 34 -4.021 -5.127 3.090 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.736 -6.515 2.486 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.039 -4.822 4.213 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.893 -7.664 3.468 1.00 0.00 C ATOM 0 H ILE A 34 -6.230 -5.137 1.682 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.550 -5.719 4.473 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.896 -4.383 2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.408 -6.677 1.643 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.720 -6.526 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.020 -4.880 3.831 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.226 -3.819 4.597 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.168 -5.548 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.675 -8.606 2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.202 -7.529 4.300 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.915 -7.683 3.845 1.00 0.00 H new ATOM 520 N HIS A 35 -5.794 -3.361 5.317 1.00 0.00 N ATOM 521 CA HIS A 35 -6.094 -2.034 5.822 1.00 0.00 C ATOM 522 C HIS A 35 -4.859 -1.455 6.470 1.00 0.00 C ATOM 523 O HIS A 35 -4.229 -2.096 7.315 1.00 0.00 O ATOM 524 CB HIS A 35 -7.245 -2.071 6.841 1.00 0.00 C ATOM 525 CG HIS A 35 -8.590 -2.417 6.263 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.764 -1.867 6.719 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.947 -3.287 5.287 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.782 -2.382 6.059 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.316 -3.248 5.183 1.00 0.00 N ATOM 0 H HIS A 35 -5.595 -4.052 6.040 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.405 -1.409 4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.001 -2.797 7.617 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.313 -1.097 7.326 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.278 -3.898 4.699 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.822 -2.135 6.211 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.879 -3.799 4.535 1.00 0.00 H new ATOM 538 N PHE A 36 -4.499 -0.260 6.085 1.00 0.00 N ATOM 539 CA PHE A 36 -3.307 0.377 6.605 1.00 0.00 C ATOM 540 C PHE A 36 -3.532 1.856 6.842 1.00 0.00 C ATOM 541 O PHE A 36 -4.323 2.505 6.155 1.00 0.00 O ATOM 542 CB PHE A 36 -2.122 0.144 5.665 1.00 0.00 C ATOM 543 CG PHE A 36 -2.528 0.024 4.234 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.822 1.141 3.490 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.641 -1.220 3.642 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.220 1.020 2.177 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.038 -1.341 2.335 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.327 -0.220 1.604 1.00 0.00 C ATOM 0 H PHE A 36 -5.016 0.300 5.407 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.074 -0.076 7.569 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.416 0.968 5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.599 -0.764 5.966 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.740 2.120 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.414 -2.107 4.215 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.448 1.903 1.599 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.123 -2.318 1.883 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.640 -0.313 0.574 1.00 0.00 H new ATOM 558 N LYS A 37 -2.845 2.382 7.826 1.00 0.00 N ATOM 559 CA LYS A 37 -2.972 3.775 8.193 1.00 0.00 C ATOM 560 C LYS A 37 -1.677 4.527 7.922 1.00 0.00 C ATOM 561 O LYS A 37 -0.686 4.383 8.647 1.00 0.00 O ATOM 562 CB LYS A 37 -3.382 3.889 9.658 1.00 0.00 C ATOM 563 CG LYS A 37 -4.701 3.197 9.949 1.00 0.00 C ATOM 564 CD LYS A 37 -5.064 3.253 11.416 1.00 0.00 C ATOM 565 CE LYS A 37 -6.367 2.521 11.677 1.00 0.00 C ATOM 566 NZ LYS A 37 -6.715 2.498 13.118 1.00 0.00 N ATOM 0 H LYS A 37 -2.181 1.858 8.397 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.749 4.232 7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.602 3.456 10.285 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.460 4.942 9.929 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.492 3.665 9.363 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.641 2.156 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.266 2.807 12.010 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.155 4.292 11.733 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.170 3.001 11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.288 1.499 11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.612 1.988 13.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.962 2.017 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.816 3.473 13.466 1.00 0.00 H new ATOM 580 N VAL A 38 -1.680 5.330 6.870 1.00 0.00 N ATOM 581 CA VAL A 38 -0.496 6.072 6.461 1.00 0.00 C ATOM 582 C VAL A 38 -0.840 7.545 6.254 1.00 0.00 C ATOM 583 O VAL A 38 -2.000 7.900 6.118 1.00 0.00 O ATOM 584 CB VAL A 38 0.125 5.501 5.158 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.400 4.010 5.290 1.00 0.00 C ATOM 586 CG2 VAL A 38 -0.765 5.781 3.957 1.00 0.00 C ATOM 0 H VAL A 38 -2.496 5.486 6.279 1.00 0.00 H new ATOM 0 HA VAL A 38 0.239 5.972 7.260 1.00 0.00 H new ATOM 0 HB VAL A 38 1.077 6.007 4.997 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.835 3.637 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.096 3.840 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.533 3.484 5.491 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.304 5.369 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.739 5.317 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.890 6.857 3.840 1.00 0.00 H new ATOM 596 N LYS A 39 0.158 8.404 6.229 1.00 0.00 N ATOM 597 CA LYS A 39 -0.089 9.834 6.062 1.00 0.00 C ATOM 598 C LYS A 39 -0.347 10.201 4.621 1.00 0.00 C ATOM 599 O LYS A 39 -0.292 9.367 3.723 1.00 0.00 O ATOM 600 CB LYS A 39 1.075 10.657 6.559 1.00 0.00 C ATOM 601 CG LYS A 39 1.315 10.584 8.038 1.00 0.00 C ATOM 602 CD LYS A 39 2.320 11.626 8.438 1.00 0.00 C ATOM 603 CE LYS A 39 1.691 13.006 8.513 1.00 0.00 C ATOM 604 NZ LYS A 39 2.640 14.013 9.048 1.00 0.00 N ATOM 0 H LYS A 39 1.141 8.147 6.321 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.978 10.054 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.978 10.331 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.908 11.698 6.284 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.380 10.740 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.677 9.592 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.748 11.367 9.406 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.140 11.637 7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.360 13.310 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.805 12.968 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.175 14.943 9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.937 13.736 10.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.474 14.067 8.429 1.00 0.00 H new ATOM 618 N MET A 40 -0.613 11.474 4.397 1.00 0.00 N ATOM 619 CA MET A 40 -0.847 11.985 3.056 1.00 0.00 C ATOM 620 C MET A 40 0.472 12.378 2.415 1.00 0.00 C ATOM 621 O MET A 40 0.653 12.277 1.203 1.00 0.00 O ATOM 622 CB MET A 40 -1.784 13.204 3.093 1.00 0.00 C ATOM 623 CG MET A 40 -3.220 12.877 3.470 1.00 0.00 C ATOM 624 SD MET A 40 -4.370 13.135 2.105 1.00 0.00 S ATOM 625 CE MET A 40 -3.663 12.063 0.863 1.00 0.00 C ATOM 0 H MET A 40 -0.673 12.179 5.131 1.00 0.00 H new ATOM 0 HA MET A 40 -1.319 11.199 2.467 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.390 13.929 3.805 1.00 0.00 H new ATOM 0 HB3 MET A 40 -1.778 13.683 2.114 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.278 11.839 3.798 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.520 13.496 4.315 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.089 12.304 -0.111 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.583 12.205 0.832 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.886 11.025 1.109 1.00 0.00 H new ATOM 635 N THR A 41 1.410 12.810 3.250 1.00 0.00 N ATOM 636 CA THR A 41 2.710 13.272 2.792 1.00 0.00 C ATOM 637 C THR A 41 3.744 12.135 2.795 1.00 0.00 C ATOM 638 O THR A 41 4.945 12.368 2.650 1.00 0.00 O ATOM 639 CB THR A 41 3.214 14.444 3.686 1.00 0.00 C ATOM 640 OG1 THR A 41 4.453 14.971 3.185 1.00 0.00 O ATOM 641 CG2 THR A 41 3.409 13.988 5.128 1.00 0.00 C ATOM 0 H THR A 41 1.289 12.849 4.262 1.00 0.00 H new ATOM 0 HA THR A 41 2.593 13.623 1.767 1.00 0.00 H new ATOM 0 HB THR A 41 2.454 15.225 3.660 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.008 14.237 2.847 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.761 14.826 5.730 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.461 13.628 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.145 13.184 5.159 1.00 0.00 H new ATOM 649 N THR A 42 3.282 10.909 2.936 1.00 0.00 N ATOM 650 CA THR A 42 4.184 9.774 2.986 1.00 0.00 C ATOM 651 C THR A 42 4.333 9.165 1.595 1.00 0.00 C ATOM 652 O THR A 42 3.528 9.430 0.699 1.00 0.00 O ATOM 653 CB THR A 42 3.680 8.689 3.981 1.00 0.00 C ATOM 654 OG1 THR A 42 4.731 7.758 4.283 1.00 0.00 O ATOM 655 CG2 THR A 42 2.495 7.934 3.405 1.00 0.00 C ATOM 0 H THR A 42 2.293 10.673 3.018 1.00 0.00 H new ATOM 0 HA THR A 42 5.152 10.132 3.336 1.00 0.00 H new ATOM 0 HB THR A 42 3.369 9.195 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.526 6.890 3.877 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.161 7.181 4.119 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.681 8.631 3.206 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.791 7.447 2.476 1.00 0.00 H new ATOM 663 N HIS A 43 5.363 8.366 1.403 1.00 0.00 N ATOM 664 CA HIS A 43 5.566 7.704 0.136 1.00 0.00 C ATOM 665 C HIS A 43 4.775 6.414 0.089 1.00 0.00 C ATOM 666 O HIS A 43 4.682 5.692 1.078 1.00 0.00 O ATOM 667 CB HIS A 43 7.050 7.418 -0.117 1.00 0.00 C ATOM 668 CG HIS A 43 7.816 8.578 -0.673 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.190 8.601 -0.753 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.394 9.743 -1.215 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.577 9.728 -1.318 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.506 10.438 -1.610 1.00 0.00 N ATOM 0 H HIS A 43 6.070 8.161 2.109 1.00 0.00 H new ATOM 0 HA HIS A 43 5.214 8.373 -0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.513 7.108 0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.133 6.578 -0.807 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.369 10.066 -1.317 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.599 10.020 -1.509 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.505 11.355 -2.057 1.00 0.00 H new ATOM 681 N LEU A 44 4.206 6.121 -1.061 1.00 0.00 N ATOM 682 CA LEU A 44 3.413 4.914 -1.252 1.00 0.00 C ATOM 683 C LEU A 44 4.266 3.676 -1.084 1.00 0.00 C ATOM 684 O LEU A 44 3.757 2.599 -0.819 1.00 0.00 O ATOM 685 CB LEU A 44 2.769 4.915 -2.642 1.00 0.00 C ATOM 686 CG LEU A 44 1.239 4.987 -2.682 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.624 3.724 -2.121 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.739 6.194 -1.929 1.00 0.00 C ATOM 0 H LEU A 44 4.277 6.708 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 44 2.630 4.902 -0.494 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.166 5.762 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.083 4.012 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 44 0.936 5.082 -3.725 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.463 3.800 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.950 2.867 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.941 3.593 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.350 6.224 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.060 6.133 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.145 7.099 -2.381 1.00 0.00 H new ATOM 700 N LYS A 45 5.577 3.843 -1.218 1.00 0.00 N ATOM 701 CA LYS A 45 6.523 2.739 -1.116 1.00 0.00 C ATOM 702 C LYS A 45 6.307 1.909 0.150 1.00 0.00 C ATOM 703 O LYS A 45 6.221 0.687 0.086 1.00 0.00 O ATOM 704 CB LYS A 45 7.959 3.270 -1.196 1.00 0.00 C ATOM 705 CG LYS A 45 8.314 4.308 -0.141 1.00 0.00 C ATOM 706 CD LYS A 45 9.149 3.705 0.980 1.00 0.00 C ATOM 707 CE LYS A 45 10.529 3.300 0.492 1.00 0.00 C ATOM 708 NZ LYS A 45 11.269 2.525 1.513 1.00 0.00 N ATOM 0 H LYS A 45 6.013 4.747 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 45 6.348 2.069 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.648 2.430 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.116 3.706 -2.182 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.864 5.126 -0.606 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.400 4.733 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.246 4.427 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.637 2.834 1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.433 2.705 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.098 4.192 0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.206 2.267 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.383 3.101 2.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.739 1.661 1.745 1.00 0.00 H new ATOM 722 N LYS A 46 6.166 2.580 1.293 1.00 0.00 N ATOM 723 CA LYS A 46 5.979 1.900 2.568 1.00 0.00 C ATOM 724 C LYS A 46 4.616 1.218 2.628 1.00 0.00 C ATOM 725 O LYS A 46 4.446 0.201 3.284 1.00 0.00 O ATOM 726 CB LYS A 46 6.163 2.893 3.733 1.00 0.00 C ATOM 727 CG LYS A 46 5.331 4.170 3.609 1.00 0.00 C ATOM 728 CD LYS A 46 4.046 4.103 4.418 1.00 0.00 C ATOM 729 CE LYS A 46 4.316 4.242 5.909 1.00 0.00 C ATOM 730 NZ LYS A 46 4.938 5.551 6.243 1.00 0.00 N ATOM 0 H LYS A 46 6.178 3.598 1.359 1.00 0.00 H new ATOM 0 HA LYS A 46 6.736 1.122 2.662 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.903 2.393 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.216 3.165 3.800 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.924 5.021 3.943 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.089 4.343 2.560 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.370 4.894 4.095 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.543 3.155 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.381 4.134 6.458 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.972 3.435 6.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.844 5.730 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.946 5.532 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.460 6.308 5.713 1.00 0.00 H new ATOM 744 N LEU A 47 3.650 1.788 1.936 1.00 0.00 N ATOM 745 CA LEU A 47 2.307 1.240 1.870 1.00 0.00 C ATOM 746 C LEU A 47 2.285 -0.028 1.009 1.00 0.00 C ATOM 747 O LEU A 47 1.744 -1.062 1.412 1.00 0.00 O ATOM 748 CB LEU A 47 1.363 2.321 1.297 1.00 0.00 C ATOM 749 CG LEU A 47 -0.144 2.005 1.243 1.00 0.00 C ATOM 750 CD1 LEU A 47 -0.934 3.299 1.105 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.475 1.077 0.075 1.00 0.00 C ATOM 0 H LEU A 47 3.773 2.648 1.401 1.00 0.00 H new ATOM 0 HA LEU A 47 1.970 0.959 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.494 3.227 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.693 2.551 0.284 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.418 1.499 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.000 3.072 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.730 3.943 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.639 3.810 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.546 0.873 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.187 1.554 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.072 0.141 0.188 1.00 0.00 H new ATOM 763 N LYS A 48 2.888 0.056 -0.177 1.00 0.00 N ATOM 764 CA LYS A 48 2.920 -1.067 -1.126 1.00 0.00 C ATOM 765 C LYS A 48 3.547 -2.287 -0.482 1.00 0.00 C ATOM 766 O LYS A 48 3.022 -3.393 -0.563 1.00 0.00 O ATOM 767 CB LYS A 48 3.721 -0.699 -2.378 1.00 0.00 C ATOM 768 CG LYS A 48 3.388 0.657 -2.956 1.00 0.00 C ATOM 769 CD LYS A 48 4.545 1.214 -3.782 1.00 0.00 C ATOM 770 CE LYS A 48 4.730 0.461 -5.073 1.00 0.00 C ATOM 771 NZ LYS A 48 6.049 0.734 -5.694 1.00 0.00 N ATOM 0 H LYS A 48 3.365 0.894 -0.509 1.00 0.00 H new ATOM 0 HA LYS A 48 1.892 -1.290 -1.410 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.783 -0.726 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.548 -1.458 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.498 0.579 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.150 1.349 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.362 2.266 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.464 1.164 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.632 -0.608 -4.886 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.938 0.736 -5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.227 0.042 -6.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.052 1.693 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.795 0.659 -4.973 1.00 0.00 H new ATOM 785 N GLU A 49 4.663 -2.081 0.176 1.00 0.00 N ATOM 786 CA GLU A 49 5.366 -3.169 0.819 1.00 0.00 C ATOM 787 C GLU A 49 4.609 -3.644 2.055 1.00 0.00 C ATOM 788 O GLU A 49 4.606 -4.830 2.375 1.00 0.00 O ATOM 789 CB GLU A 49 6.792 -2.765 1.183 1.00 0.00 C ATOM 790 CG GLU A 49 6.881 -1.469 1.959 1.00 0.00 C ATOM 791 CD GLU A 49 8.246 -1.234 2.553 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.759 -2.132 3.249 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.818 -0.146 2.328 1.00 0.00 O ATOM 0 H GLU A 49 5.106 -1.168 0.281 1.00 0.00 H new ATOM 0 HA GLU A 49 5.422 -3.996 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.246 -3.562 1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.378 -2.671 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.629 -0.638 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.139 -1.478 2.758 1.00 0.00 H new ATOM 800 N SER A 50 3.933 -2.713 2.730 1.00 0.00 N ATOM 801 CA SER A 50 3.184 -3.027 3.935 1.00 0.00 C ATOM 802 C SER A 50 2.071 -4.014 3.633 1.00 0.00 C ATOM 803 O SER A 50 1.901 -5.009 4.332 1.00 0.00 O ATOM 804 CB SER A 50 2.599 -1.752 4.562 1.00 0.00 C ATOM 805 OG SER A 50 2.007 -2.018 5.827 1.00 0.00 O ATOM 0 H SER A 50 3.893 -1.731 2.456 1.00 0.00 H new ATOM 0 HA SER A 50 3.872 -3.482 4.648 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.387 -1.007 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.852 -1.325 3.892 1.00 0.00 H new ATOM 0 HG SER A 50 1.646 -1.187 6.200 1.00 0.00 H new ATOM 811 N TYR A 51 1.323 -3.774 2.571 1.00 0.00 N ATOM 812 CA TYR A 51 0.225 -4.652 2.257 1.00 0.00 C ATOM 813 C TYR A 51 0.734 -5.959 1.659 1.00 0.00 C ATOM 814 O TYR A 51 0.158 -7.023 1.888 1.00 0.00 O ATOM 815 CB TYR A 51 -0.816 -3.968 1.346 1.00 0.00 C ATOM 816 CG TYR A 51 -0.545 -4.053 -0.142 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.888 -5.189 -0.858 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.029 -2.996 -0.833 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.667 -5.278 -2.210 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.256 -3.077 -2.197 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.094 -4.221 -2.875 1.00 0.00 C ATOM 822 OH TYR A 51 0.127 -4.306 -4.222 1.00 0.00 O ATOM 0 H TYR A 51 1.456 -2.994 1.927 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.288 -4.890 3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.792 -4.411 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.880 -2.916 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.339 -6.023 -0.341 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.303 -2.097 -0.300 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.942 -6.173 -2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.705 -2.248 -2.724 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.549 -4.887 -4.628 1.00 0.00 H new ATOM 832 N CYS A 52 1.839 -5.891 0.913 1.00 0.00 N ATOM 833 CA CYS A 52 2.418 -7.079 0.300 1.00 0.00 C ATOM 834 C CYS A 52 2.869 -8.057 1.357 1.00 0.00 C ATOM 835 O CYS A 52 2.572 -9.257 1.286 1.00 0.00 O ATOM 836 CB CYS A 52 3.590 -6.712 -0.608 1.00 0.00 C ATOM 837 SG CYS A 52 3.113 -5.840 -2.113 1.00 0.00 S ATOM 0 H CYS A 52 2.346 -5.027 0.722 1.00 0.00 H new ATOM 0 HA CYS A 52 1.646 -7.550 -0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.289 -6.091 -0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.122 -7.623 -0.882 1.00 0.00 H new ATOM 0 HG CYS A 52 2.948 -4.578 -1.849 1.00 0.00 H new ATOM 843 N GLN A 53 3.554 -7.547 2.367 1.00 0.00 N ATOM 844 CA GLN A 53 4.047 -8.385 3.432 1.00 0.00 C ATOM 845 C GLN A 53 2.883 -8.962 4.242 1.00 0.00 C ATOM 846 O GLN A 53 2.958 -10.085 4.734 1.00 0.00 O ATOM 847 CB GLN A 53 5.022 -7.620 4.339 1.00 0.00 C ATOM 848 CG GLN A 53 4.391 -6.456 5.071 1.00 0.00 C ATOM 849 CD GLN A 53 5.364 -5.693 5.937 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.552 -5.586 5.628 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.867 -5.166 7.037 1.00 0.00 N ATOM 0 H GLN A 53 3.778 -6.557 2.466 1.00 0.00 H new ATOM 0 HA GLN A 53 4.597 -9.212 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.442 -8.311 5.069 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.851 -7.251 3.735 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.952 -5.774 4.343 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.576 -6.826 5.693 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.877 -5.279 7.254 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.472 -4.645 7.672 1.00 0.00 H new ATOM 860 N ARG A 54 1.795 -8.179 4.395 1.00 0.00 N ATOM 861 CA ARG A 54 0.593 -8.656 5.094 1.00 0.00 C ATOM 862 C ARG A 54 0.046 -9.919 4.446 1.00 0.00 C ATOM 863 O ARG A 54 -0.378 -10.849 5.127 1.00 0.00 O ATOM 864 CB ARG A 54 -0.495 -7.571 5.094 1.00 0.00 C ATOM 865 CG ARG A 54 -0.189 -6.356 5.959 1.00 0.00 C ATOM 866 CD ARG A 54 -0.241 -6.687 7.438 1.00 0.00 C ATOM 867 NE ARG A 54 -0.010 -5.502 8.267 1.00 0.00 N ATOM 868 CZ ARG A 54 0.046 -5.516 9.599 1.00 0.00 C ATOM 869 NH1 ARG A 54 -0.111 -6.653 10.264 1.00 0.00 N ATOM 870 NH2 ARG A 54 0.253 -4.384 10.262 1.00 0.00 N ATOM 0 H ARG A 54 1.728 -7.223 4.046 1.00 0.00 H new ATOM 0 HA ARG A 54 0.878 -8.884 6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.655 -7.238 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.430 -8.015 5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.799 -5.971 5.708 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.905 -5.564 5.739 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.213 -7.117 7.681 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.509 -7.444 7.668 1.00 0.00 H new ATOM 0 HE ARG A 54 0.116 -4.607 7.794 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.275 -7.522 9.756 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.067 -6.658 11.283 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.368 -3.508 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.296 -4.390 11.281 1.00 0.00 H new ATOM 884 N GLN A 55 0.061 -9.954 3.124 1.00 0.00 N ATOM 885 CA GLN A 55 -0.447 -11.099 2.380 1.00 0.00 C ATOM 886 C GLN A 55 0.548 -12.246 2.401 1.00 0.00 C ATOM 887 O GLN A 55 0.186 -13.406 2.187 1.00 0.00 O ATOM 888 CB GLN A 55 -0.723 -10.699 0.941 1.00 0.00 C ATOM 889 CG GLN A 55 -1.832 -9.678 0.791 1.00 0.00 C ATOM 890 CD GLN A 55 -1.606 -8.744 -0.379 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.550 -8.308 -1.038 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.354 -8.407 -0.628 1.00 0.00 N ATOM 0 H GLN A 55 0.421 -9.199 2.540 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.371 -11.429 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.191 -10.296 0.504 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.983 -11.590 0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.782 -10.195 0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.910 -9.094 1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.400 -8.790 -0.058 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.141 -7.763 -1.390 1.00 0.00 H new ATOM 901 N GLY A 56 1.808 -11.930 2.657 1.00 0.00 N ATOM 902 CA GLY A 56 2.829 -12.949 2.697 1.00 0.00 C ATOM 903 C GLY A 56 3.299 -13.326 1.313 1.00 0.00 C ATOM 904 O GLY A 56 3.545 -14.497 1.027 1.00 0.00 O ATOM 0 H GLY A 56 2.140 -10.983 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.676 -12.593 3.284 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.441 -13.833 3.202 1.00 0.00 H new ATOM 908 N VAL A 57 3.407 -12.336 0.436 1.00 0.00 N ATOM 909 CA VAL A 57 3.849 -12.560 -0.937 1.00 0.00 C ATOM 910 C VAL A 57 4.764 -11.427 -1.386 1.00 0.00 C ATOM 911 O VAL A 57 4.621 -10.289 -0.926 1.00 0.00 O ATOM 912 CB VAL A 57 2.651 -12.669 -1.930 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.773 -13.870 -1.608 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.827 -11.390 -1.930 1.00 0.00 C ATOM 0 H VAL A 57 3.193 -11.362 0.652 1.00 0.00 H new ATOM 0 HA VAL A 57 4.388 -13.507 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 57 3.064 -12.812 -2.929 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.947 -13.918 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.365 -14.783 -1.678 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.377 -13.771 -0.597 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.998 -11.491 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.436 -11.209 -0.929 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.456 -10.552 -2.231 1.00 0.00 H new ATOM 924 N PRO A 58 5.725 -11.721 -2.277 1.00 0.00 N ATOM 925 CA PRO A 58 6.639 -10.710 -2.802 1.00 0.00 C ATOM 926 C PRO A 58 5.914 -9.673 -3.655 1.00 0.00 C ATOM 927 O PRO A 58 4.905 -9.969 -4.315 1.00 0.00 O ATOM 928 CB PRO A 58 7.626 -11.509 -3.650 1.00 0.00 C ATOM 929 CG PRO A 58 6.923 -12.783 -3.975 1.00 0.00 C ATOM 930 CD PRO A 58 6.003 -13.060 -2.823 1.00 0.00 C ATOM 0 HA PRO A 58 7.119 -10.144 -2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.896 -10.966 -4.556 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.551 -11.698 -3.104 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.364 -12.692 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.635 -13.597 -4.109 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.090 -13.558 -3.149 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.472 -13.707 -2.081 1.00 0.00 H new ATOM 938 N MET A 59 6.450 -8.466 -3.671 1.00 0.00 N ATOM 939 CA MET A 59 5.844 -7.340 -4.383 1.00 0.00 C ATOM 940 C MET A 59 5.916 -7.517 -5.896 1.00 0.00 C ATOM 941 O MET A 59 5.318 -6.762 -6.642 1.00 0.00 O ATOM 942 CB MET A 59 6.536 -6.035 -3.991 1.00 0.00 C ATOM 943 CG MET A 59 6.550 -5.773 -2.496 1.00 0.00 C ATOM 944 SD MET A 59 7.410 -4.253 -2.059 1.00 0.00 S ATOM 945 CE MET A 59 6.322 -3.041 -2.793 1.00 0.00 C ATOM 0 H MET A 59 7.319 -8.232 -3.192 1.00 0.00 H new ATOM 0 HA MET A 59 4.793 -7.304 -4.097 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.563 -6.055 -4.356 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.036 -5.205 -4.491 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.524 -5.722 -2.132 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.026 -6.612 -1.990 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.568 -2.051 -2.409 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.445 -3.050 -3.876 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.289 -3.281 -2.543 1.00 0.00 H new ATOM 955 N ASN A 60 6.644 -8.518 -6.346 1.00 0.00 N ATOM 956 CA ASN A 60 6.809 -8.760 -7.776 1.00 0.00 C ATOM 957 C ASN A 60 5.756 -9.727 -8.305 1.00 0.00 C ATOM 958 O ASN A 60 5.590 -9.887 -9.510 1.00 0.00 O ATOM 959 CB ASN A 60 8.219 -9.284 -8.067 1.00 0.00 C ATOM 960 CG ASN A 60 8.597 -10.476 -7.207 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.754 -11.303 -6.854 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.859 -10.560 -6.844 1.00 0.00 N ATOM 0 H ASN A 60 7.134 -9.182 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 60 6.673 -7.811 -8.294 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.287 -9.565 -9.118 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.939 -8.482 -7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.169 -11.329 -6.250 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.528 -9.856 -7.157 1.00 0.00 H new ATOM 969 N SER A 61 5.049 -10.380 -7.403 1.00 0.00 N ATOM 970 CA SER A 61 4.020 -11.321 -7.772 1.00 0.00 C ATOM 971 C SER A 61 2.696 -10.618 -8.045 1.00 0.00 C ATOM 972 O SER A 61 1.838 -11.130 -8.764 1.00 0.00 O ATOM 973 CB SER A 61 3.845 -12.344 -6.663 1.00 0.00 C ATOM 974 OG SER A 61 5.005 -13.141 -6.521 1.00 0.00 O ATOM 0 H SER A 61 5.175 -10.271 -6.397 1.00 0.00 H new ATOM 0 HA SER A 61 4.328 -11.822 -8.690 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.632 -11.834 -5.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.987 -12.980 -6.882 1.00 0.00 H new ATOM 0 HG SER A 61 4.932 -13.930 -7.098 1.00 0.00 H new ATOM 980 N LEU A 62 2.532 -9.446 -7.486 1.00 0.00 N ATOM 981 CA LEU A 62 1.301 -8.713 -7.649 1.00 0.00 C ATOM 982 C LEU A 62 1.544 -7.256 -8.042 1.00 0.00 C ATOM 983 O LEU A 62 2.580 -6.675 -7.741 1.00 0.00 O ATOM 984 CB LEU A 62 0.429 -8.836 -6.390 1.00 0.00 C ATOM 985 CG LEU A 62 1.117 -8.605 -5.046 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.509 -7.150 -4.873 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.210 -9.053 -3.918 1.00 0.00 C ATOM 0 H LEU A 62 3.235 -8.978 -6.914 1.00 0.00 H new ATOM 0 HA LEU A 62 0.754 -9.161 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.393 -8.126 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.011 -9.833 -6.379 1.00 0.00 H new ATOM 0 HG LEU A 62 2.031 -9.198 -5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.996 -7.017 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.196 -6.861 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.617 -6.525 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.707 -8.885 -2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.718 -8.482 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.013 -10.114 -4.030 1.00 0.00 H new ATOM 999 N ARG A 63 0.592 -6.688 -8.743 1.00 0.00 N ATOM 1000 CA ARG A 63 0.693 -5.310 -9.197 1.00 0.00 C ATOM 1001 C ARG A 63 -0.264 -4.391 -8.481 1.00 0.00 C ATOM 1002 O ARG A 63 -1.415 -4.734 -8.229 1.00 0.00 O ATOM 1003 CB ARG A 63 0.528 -5.196 -10.705 1.00 0.00 C ATOM 1004 CG ARG A 63 -0.230 -6.329 -11.350 1.00 0.00 C ATOM 1005 CD ARG A 63 -0.031 -6.300 -12.844 1.00 0.00 C ATOM 1006 NE ARG A 63 1.393 -6.348 -13.190 1.00 0.00 N ATOM 1007 CZ ARG A 63 1.879 -6.294 -14.428 1.00 0.00 C ATOM 1008 NH1 ARG A 63 1.060 -6.241 -15.467 1.00 0.00 N ATOM 1009 NH2 ARG A 63 3.194 -6.313 -14.621 1.00 0.00 N ATOM 0 H ARG A 63 -0.271 -7.159 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 63 1.702 -4.984 -8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.015 -4.261 -10.930 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.517 -5.134 -11.160 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.113 -7.282 -10.948 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.291 -6.247 -11.115 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.547 -7.145 -13.299 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.478 -5.395 -13.256 1.00 0.00 H new ATOM 0 HE ARG A 63 2.062 -6.429 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.050 -6.241 -15.321 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.439 -6.200 -16.413 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.826 -6.369 -13.822 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.571 -6.272 -15.568 1.00 0.00 H new ATOM 1023 N PHE A 64 0.225 -3.214 -8.173 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.515 -2.201 -7.447 1.00 0.00 C ATOM 1025 C PHE A 64 -0.817 -1.004 -8.346 1.00 0.00 C ATOM 1026 O PHE A 64 0.100 -0.353 -8.865 1.00 0.00 O ATOM 1027 CB PHE A 64 0.303 -1.749 -6.218 1.00 0.00 C ATOM 1028 CG PHE A 64 1.795 -1.989 -6.358 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.528 -1.378 -7.367 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.458 -2.842 -5.484 1.00 0.00 C ATOM 1031 CE1 PHE A 64 3.878 -1.615 -7.505 1.00 0.00 C ATOM 1032 CE2 PHE A 64 3.811 -3.078 -5.615 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.522 -2.467 -6.626 1.00 0.00 C ATOM 0 H PHE A 64 1.170 -2.924 -8.424 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.463 -2.626 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.129 -0.687 -6.047 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.060 -2.277 -5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.032 -0.707 -8.053 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.907 -3.327 -4.692 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.433 -1.136 -8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.313 -3.741 -4.926 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.581 -2.653 -6.731 1.00 0.00 H new ATOM 1043 N LEU A 65 -2.087 -0.708 -8.543 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.468 0.423 -9.362 1.00 0.00 C ATOM 1045 C LEU A 65 -3.698 1.127 -8.790 1.00 0.00 C ATOM 1046 O LEU A 65 -4.412 0.584 -7.948 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.675 0.005 -10.860 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.984 -0.723 -11.251 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.302 -1.845 -10.295 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -5.147 0.258 -11.374 1.00 0.00 C ATOM 0 H LEU A 65 -2.868 -1.233 -8.149 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.646 1.139 -9.344 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.603 0.907 -11.468 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.841 -0.638 -11.143 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.829 -1.172 -12.232 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.227 -2.333 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.489 -2.571 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.420 -1.443 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.052 -0.283 -11.650 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.301 0.761 -10.419 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.919 0.998 -12.141 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.942 2.331 -9.250 1.00 0.00 N ATOM 1063 CA PHE A 66 -5.079 3.112 -8.818 1.00 0.00 C ATOM 1064 C PHE A 66 -5.583 3.940 -9.970 1.00 0.00 C ATOM 1065 O PHE A 66 -4.791 4.547 -10.676 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.700 4.016 -7.647 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.806 4.918 -7.203 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.862 4.420 -6.474 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.782 6.267 -7.509 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.880 5.246 -6.056 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.797 7.100 -7.097 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.850 6.590 -6.367 1.00 0.00 C ATOM 0 H PHE A 66 -3.354 2.800 -9.939 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.866 2.436 -8.484 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.389 3.396 -6.806 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.840 4.623 -7.931 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.892 3.369 -6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.957 6.671 -8.078 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.703 4.842 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.769 8.151 -7.345 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.648 7.240 -6.040 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.906 3.946 -10.169 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.580 4.690 -11.259 1.00 0.00 C ATOM 1084 C GLU A 67 -6.922 4.434 -12.629 1.00 0.00 C ATOM 1085 O GLU A 67 -6.998 5.261 -13.544 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.656 6.208 -10.966 1.00 0.00 C ATOM 1087 CG GLU A 67 -6.331 6.935 -11.036 1.00 0.00 C ATOM 1088 CD GLU A 67 -6.488 8.434 -11.168 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.750 9.104 -10.146 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -6.335 8.955 -12.292 1.00 0.00 O ATOM 0 H GLU A 67 -7.554 3.430 -9.574 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.600 4.307 -11.303 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.344 6.667 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.081 6.351 -9.972 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.753 6.713 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.760 6.558 -11.885 1.00 0.00 H new ATOM 1097 N GLY A 68 -6.318 3.270 -12.788 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.650 2.944 -14.030 1.00 0.00 C ATOM 1099 C GLY A 68 -4.230 3.472 -14.101 1.00 0.00 C ATOM 1100 O GLY A 68 -3.702 3.702 -15.183 1.00 0.00 O ATOM 0 H GLY A 68 -6.277 2.540 -12.076 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.635 1.861 -14.153 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.224 3.352 -14.862 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.605 3.674 -12.956 1.00 0.00 N ATOM 1105 CA GLN A 69 -2.230 4.152 -12.920 1.00 0.00 C ATOM 1106 C GLN A 69 -1.409 3.294 -11.972 1.00 0.00 C ATOM 1107 O GLN A 69 -1.864 2.955 -10.881 1.00 0.00 O ATOM 1108 CB GLN A 69 -2.170 5.628 -12.470 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.936 5.805 -10.972 1.00 0.00 C ATOM 1110 CD GLN A 69 -2.096 7.229 -10.507 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -1.153 8.016 -10.535 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -3.278 7.550 -10.036 1.00 0.00 N ATOM 0 H GLN A 69 -4.024 3.516 -12.039 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.817 4.081 -13.926 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.372 6.132 -13.015 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -3.103 6.120 -12.743 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.634 5.171 -10.425 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.932 5.460 -10.725 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.030 6.861 -10.034 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.444 8.488 -9.672 1.00 0.00 H new ATOM 1121 N ARG A 70 -0.228 2.902 -12.390 1.00 0.00 N ATOM 1122 CA ARG A 70 0.663 2.135 -11.528 1.00 0.00 C ATOM 1123 C ARG A 70 1.112 2.978 -10.344 1.00 0.00 C ATOM 1124 O ARG A 70 1.312 4.198 -10.454 1.00 0.00 O ATOM 1125 CB ARG A 70 1.896 1.607 -12.303 1.00 0.00 C ATOM 1126 CG ARG A 70 2.941 2.673 -12.663 1.00 0.00 C ATOM 1127 CD ARG A 70 2.395 3.680 -13.656 1.00 0.00 C ATOM 1128 NE ARG A 70 3.354 4.727 -13.989 1.00 0.00 N ATOM 1129 CZ ARG A 70 3.200 5.585 -15.001 1.00 0.00 C ATOM 1130 NH1 ARG A 70 2.135 5.493 -15.796 1.00 0.00 N ATOM 1131 NH2 ARG A 70 4.108 6.529 -15.218 1.00 0.00 N ATOM 0 H ARG A 70 0.145 3.098 -13.319 1.00 0.00 H new ATOM 0 HA ARG A 70 0.104 1.273 -11.163 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.379 0.834 -11.705 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.553 1.131 -13.222 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.260 3.190 -11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.824 2.190 -13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.101 3.160 -14.568 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.495 4.137 -13.245 1.00 0.00 H new ATOM 0 HE ARG A 70 4.193 4.809 -13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.437 4.767 -15.632 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.017 6.148 -16.569 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.925 6.600 -14.611 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.989 7.183 -15.991 1.00 0.00 H new ATOM 1145 N ILE A 71 1.256 2.352 -9.214 1.00 0.00 N ATOM 1146 CA ILE A 71 1.687 3.047 -8.032 1.00 0.00 C ATOM 1147 C ILE A 71 3.189 2.916 -7.884 1.00 0.00 C ATOM 1148 O ILE A 71 3.720 1.814 -7.761 1.00 0.00 O ATOM 1149 CB ILE A 71 1.001 2.507 -6.763 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.519 2.391 -6.964 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.313 3.405 -5.587 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -1.184 3.658 -7.464 1.00 0.00 C ATOM 0 H ILE A 71 1.081 1.356 -9.083 1.00 0.00 H new ATOM 0 HA ILE A 71 1.407 4.094 -8.145 1.00 0.00 H new ATOM 0 HB ILE A 71 1.388 1.509 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.719 1.587 -7.672 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.977 2.104 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.825 3.017 -4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.391 3.435 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.949 4.412 -5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.254 3.487 -7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.019 4.463 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.757 3.937 -8.427 1.00 0.00 H new ATOM 1164 N ALA A 72 3.883 4.033 -7.884 1.00 0.00 N ATOM 1165 CA ALA A 72 5.318 4.016 -7.787 1.00 0.00 C ATOM 1166 C ALA A 72 5.742 4.266 -6.360 1.00 0.00 C ATOM 1167 O ALA A 72 4.962 4.759 -5.546 1.00 0.00 O ATOM 1168 CB ALA A 72 5.922 5.049 -8.718 1.00 0.00 C ATOM 0 H ALA A 72 3.472 4.964 -7.950 1.00 0.00 H new ATOM 0 HA ALA A 72 5.682 3.034 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.008 5.024 -8.633 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.633 4.826 -9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.559 6.040 -8.446 1.00 0.00 H new ATOM 1174 N ASP A 73 6.979 3.940 -6.051 1.00 0.00 N ATOM 1175 CA ASP A 73 7.509 4.100 -4.696 1.00 0.00 C ATOM 1176 C ASP A 73 7.628 5.561 -4.319 1.00 0.00 C ATOM 1177 O ASP A 73 7.598 5.924 -3.143 1.00 0.00 O ATOM 1178 CB ASP A 73 8.869 3.415 -4.573 1.00 0.00 C ATOM 1179 CG ASP A 73 8.763 1.925 -4.760 1.00 0.00 C ATOM 1180 OD1 ASP A 73 8.015 1.279 -4.004 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.396 1.396 -5.688 1.00 0.00 O ATOM 0 H ASP A 73 7.648 3.559 -6.720 1.00 0.00 H new ATOM 0 HA ASP A 73 6.808 3.629 -4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.552 3.827 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.297 3.629 -3.593 1.00 0.00 H new ATOM 1186 N ASN A 74 7.729 6.412 -5.317 1.00 0.00 N ATOM 1187 CA ASN A 74 7.876 7.833 -5.088 1.00 0.00 C ATOM 1188 C ASN A 74 6.527 8.510 -5.201 1.00 0.00 C ATOM 1189 O ASN A 74 6.414 9.730 -5.120 1.00 0.00 O ATOM 1190 CB ASN A 74 8.848 8.444 -6.099 1.00 0.00 C ATOM 1191 CG ASN A 74 10.032 7.544 -6.378 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.034 7.581 -5.675 1.00 0.00 O ATOM 1193 ND2 ASN A 74 9.923 6.737 -7.420 1.00 0.00 N ATOM 0 H ASN A 74 7.712 6.142 -6.301 1.00 0.00 H new ATOM 0 HA ASN A 74 8.277 7.985 -4.086 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.320 8.644 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.205 9.403 -5.722 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.692 6.113 -7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.070 6.738 -7.979 1.00 0.00 H new ATOM 1200 N HIS A 75 5.482 7.709 -5.376 1.00 0.00 N ATOM 1201 CA HIS A 75 4.136 8.244 -5.496 1.00 0.00 C ATOM 1202 C HIS A 75 3.550 8.458 -4.128 1.00 0.00 C ATOM 1203 O HIS A 75 3.809 7.694 -3.213 1.00 0.00 O ATOM 1204 CB HIS A 75 3.227 7.318 -6.314 1.00 0.00 C ATOM 1205 CG HIS A 75 3.188 7.639 -7.776 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.490 6.884 -8.700 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.746 8.654 -8.473 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.627 7.417 -9.892 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.383 8.491 -9.784 1.00 0.00 N ATOM 0 H HIS A 75 5.543 6.693 -5.437 1.00 0.00 H new ATOM 0 HA HIS A 75 4.201 9.196 -6.023 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.565 6.289 -6.187 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.215 7.373 -5.913 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.362 9.445 -8.072 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.194 7.039 -10.806 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.654 9.103 -10.553 1.00 0.00 H new ATOM 1218 N THR A 76 2.800 9.513 -3.972 1.00 0.00 N ATOM 1219 CA THR A 76 2.169 9.807 -2.697 1.00 0.00 C ATOM 1220 C THR A 76 0.659 9.784 -2.826 1.00 0.00 C ATOM 1221 O THR A 76 0.119 10.009 -3.918 1.00 0.00 O ATOM 1222 CB THR A 76 2.612 11.182 -2.162 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.231 12.208 -3.081 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.108 11.216 -1.981 1.00 0.00 C ATOM 0 H THR A 76 2.605 10.191 -4.709 1.00 0.00 H new ATOM 0 HA THR A 76 2.482 9.036 -1.994 1.00 0.00 H new ATOM 0 HB THR A 76 2.128 11.350 -1.200 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.514 13.080 -2.734 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.407 12.194 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.406 10.445 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.595 11.034 -2.939 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.054 9.503 -1.721 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.510 9.467 -1.719 1.00 0.00 C ATOM 1234 C PRO A 77 -2.094 10.814 -2.115 1.00 0.00 C ATOM 1235 O PRO A 77 -3.082 10.890 -2.836 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.870 9.148 -0.261 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.639 8.556 0.328 1.00 0.00 C ATOM 1238 CD PRO A 77 0.511 9.189 -0.393 1.00 0.00 C ATOM 0 HA PRO A 77 -1.904 8.741 -2.430 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.169 10.048 0.276 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.706 8.451 -0.206 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.585 8.754 1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.629 7.473 0.203 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.862 10.086 0.118 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.362 8.511 -0.467 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.455 11.883 -1.666 1.00 0.00 N ATOM 1247 CA LYS A 78 -1.928 13.231 -1.940 1.00 0.00 C ATOM 1248 C LYS A 78 -1.772 13.579 -3.416 1.00 0.00 C ATOM 1249 O LYS A 78 -2.608 14.269 -3.994 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.177 14.249 -1.087 1.00 0.00 C ATOM 1251 CG LYS A 78 0.300 14.286 -1.375 1.00 0.00 C ATOM 1252 CD LYS A 78 0.931 15.565 -0.898 1.00 0.00 C ATOM 1253 CE LYS A 78 2.232 15.810 -1.625 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.836 17.116 -1.259 1.00 0.00 N ATOM 0 H LYS A 78 -0.603 11.842 -1.107 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.987 13.267 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.599 15.239 -1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.330 14.015 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.786 13.439 -0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.464 14.178 -2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.250 16.399 -1.066 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.111 15.511 0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.933 15.008 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.058 15.780 -2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.727 17.245 -1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.178 17.883 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.027 17.136 -0.237 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.699 13.093 -4.034 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.438 13.380 -5.430 1.00 0.00 C ATOM 1270 C GLU A 79 -1.326 12.553 -6.338 1.00 0.00 C ATOM 1271 O GLU A 79 -1.791 13.027 -7.374 1.00 0.00 O ATOM 1272 CB GLU A 79 1.026 13.147 -5.772 1.00 0.00 C ATOM 1273 CG GLU A 79 1.929 14.321 -5.436 1.00 0.00 C ATOM 1274 CD GLU A 79 1.542 15.578 -6.180 1.00 0.00 C ATOM 1275 OE1 GLU A 79 2.015 15.768 -7.322 1.00 0.00 O ATOM 1276 OE2 GLU A 79 0.761 16.383 -5.634 1.00 0.00 O ATOM 0 H GLU A 79 -0.001 12.500 -3.586 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.668 14.433 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.378 12.265 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.110 12.929 -6.837 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.890 14.511 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.960 14.063 -5.676 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.577 11.303 -5.954 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.427 10.434 -6.758 1.00 0.00 C ATOM 1285 C LEU A 80 -3.900 10.763 -6.531 1.00 0.00 C ATOM 1286 O LEU A 80 -4.785 10.204 -7.176 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.154 8.947 -6.473 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.689 8.478 -6.593 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.618 6.997 -6.916 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.074 9.281 -7.625 1.00 0.00 C ATOM 0 H LEU A 80 -1.209 10.876 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.185 10.617 -7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.501 8.724 -5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.759 8.352 -7.157 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.217 8.646 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.425 6.692 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.103 6.428 -6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.125 6.806 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.101 8.921 -7.680 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.403 9.168 -8.599 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.073 10.333 -7.340 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.153 11.669 -5.599 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.507 12.116 -5.333 1.00 0.00 C ATOM 1304 C GLY A 81 -6.294 11.138 -4.494 1.00 0.00 C ATOM 1305 O GLY A 81 -7.453 10.851 -4.778 1.00 0.00 O ATOM 0 H GLY A 81 -3.439 12.107 -5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.473 13.079 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.025 12.274 -6.279 1.00 0.00 H new ATOM 1309 N MET A 82 -5.667 10.612 -3.468 1.00 0.00 N ATOM 1310 CA MET A 82 -6.315 9.681 -2.564 1.00 0.00 C ATOM 1311 C MET A 82 -6.709 10.405 -1.288 1.00 0.00 C ATOM 1312 O MET A 82 -6.206 11.495 -1.002 1.00 0.00 O ATOM 1313 CB MET A 82 -5.365 8.533 -2.229 1.00 0.00 C ATOM 1314 CG MET A 82 -4.906 7.737 -3.438 1.00 0.00 C ATOM 1315 SD MET A 82 -3.602 6.560 -3.033 1.00 0.00 S ATOM 1316 CE MET A 82 -3.253 5.881 -4.647 1.00 0.00 C ATOM 0 H MET A 82 -4.695 10.815 -3.234 1.00 0.00 H new ATOM 0 HA MET A 82 -7.206 9.277 -3.044 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.490 8.936 -1.719 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.859 7.859 -1.529 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.756 7.202 -3.861 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.547 8.422 -4.206 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.232 5.499 -4.668 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.948 5.069 -4.858 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.365 6.660 -5.401 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.605 9.821 -0.527 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.052 10.413 0.722 1.00 0.00 C ATOM 1328 C GLU A 83 -8.170 9.339 1.796 1.00 0.00 C ATOM 1329 O GLU A 83 -7.755 8.196 1.594 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.408 11.093 0.516 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.496 10.132 0.053 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.800 10.818 -0.259 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -11.951 11.327 -1.386 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.689 10.840 0.615 1.00 0.00 O ATOM 0 H GLU A 83 -8.045 8.928 -0.750 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.323 11.156 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.719 11.561 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.300 11.891 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.150 9.602 -0.835 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.663 9.383 0.827 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.743 9.695 2.939 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.907 8.747 4.019 1.00 0.00 C ATOM 1343 C GLU A 84 -9.948 7.699 3.671 1.00 0.00 C ATOM 1344 O GLU A 84 -11.049 8.017 3.213 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.288 9.443 5.326 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.593 10.209 5.259 1.00 0.00 C ATOM 1347 CD GLU A 84 -11.216 10.414 6.615 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.644 9.945 7.618 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -12.292 11.035 6.684 1.00 0.00 O ATOM 0 H GLU A 84 -9.099 10.631 3.136 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.945 8.255 4.161 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.357 8.696 6.117 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.489 10.130 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.417 11.179 4.794 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.293 9.671 4.619 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.569 6.451 3.847 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.418 5.297 3.612 1.00 0.00 C ATOM 1358 C GLU A 85 -10.577 4.987 2.134 1.00 0.00 C ATOM 1359 O GLU A 85 -11.427 4.189 1.739 1.00 0.00 O ATOM 1360 CB GLU A 85 -11.744 5.421 4.344 1.00 0.00 C ATOM 1361 CG GLU A 85 -11.614 5.102 5.822 1.00 0.00 C ATOM 1362 CD GLU A 85 -12.818 5.501 6.622 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -13.924 5.030 6.317 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -12.659 6.292 7.572 1.00 0.00 O ATOM 0 H GLU A 85 -8.633 6.201 4.167 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.912 4.430 4.037 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.130 6.434 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.472 4.748 3.891 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.444 4.032 5.942 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.736 5.611 6.221 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.749 5.627 1.306 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.718 5.326 -0.123 1.00 0.00 C ATOM 1373 C ASP A 86 -9.205 3.908 -0.349 1.00 0.00 C ATOM 1374 O ASP A 86 -8.651 3.276 0.562 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.829 6.312 -0.874 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.451 6.759 -2.180 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.674 5.910 -3.066 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.737 7.966 -2.320 1.00 0.00 O ATOM 0 H ASP A 86 -9.095 6.353 1.600 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.735 5.414 -0.505 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.642 7.183 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.862 5.849 -1.073 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.362 3.405 -1.549 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.969 2.044 -1.848 1.00 0.00 C ATOM 1385 C VAL A 87 -8.089 1.970 -3.092 1.00 0.00 C ATOM 1386 O VAL A 87 -8.261 2.733 -4.044 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.212 1.129 -2.028 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.083 1.621 -3.166 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.802 -0.317 -2.257 1.00 0.00 C ATOM 0 H VAL A 87 -9.759 3.916 -2.337 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.388 1.689 -0.997 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.792 1.173 -1.106 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.947 0.965 -3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.422 2.635 -2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.508 1.618 -4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.693 -0.933 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.189 -0.383 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.230 -0.673 -1.400 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.146 1.048 -3.075 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.245 0.832 -4.185 1.00 0.00 C ATOM 1401 C ILE A 88 -6.492 -0.570 -4.750 1.00 0.00 C ATOM 1402 O ILE A 88 -6.947 -1.466 -4.025 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.756 0.977 -3.744 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.558 2.278 -2.961 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.817 0.938 -4.942 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.614 2.098 -1.460 1.00 0.00 C ATOM 0 H ILE A 88 -6.984 0.425 -2.284 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.436 1.586 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.515 0.132 -3.099 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.595 2.711 -3.231 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.324 2.993 -3.261 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.787 1.042 -4.601 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.932 -0.012 -5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.058 1.756 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.466 3.061 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.586 1.694 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.830 1.408 -1.147 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.197 -0.774 -6.019 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.475 -2.044 -6.658 1.00 0.00 C ATOM 1420 C GLU A 89 -5.188 -2.823 -6.876 1.00 0.00 C ATOM 1421 O GLU A 89 -4.158 -2.256 -7.251 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.170 -1.813 -7.995 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.760 -3.068 -8.603 1.00 0.00 C ATOM 1424 CD GLU A 89 -9.006 -3.525 -7.879 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -9.996 -2.757 -7.854 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.018 -4.658 -7.352 1.00 0.00 O ATOM 0 H GLU A 89 -5.766 -0.078 -6.627 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.130 -2.623 -6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -7.964 -1.079 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.455 -1.383 -8.696 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.998 -2.884 -9.651 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.016 -3.865 -8.580 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.225 -4.111 -6.613 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.074 -4.957 -6.802 1.00 0.00 C ATOM 1435 C VAL A 90 -4.437 -6.190 -7.615 1.00 0.00 C ATOM 1436 O VAL A 90 -5.462 -6.828 -7.383 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.484 -5.386 -5.441 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.321 -6.355 -5.613 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.051 -4.165 -4.657 1.00 0.00 C ATOM 0 H VAL A 90 -6.051 -4.597 -6.264 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.325 -4.384 -7.348 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.262 -5.909 -4.885 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.932 -6.634 -4.634 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.665 -7.248 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.532 -5.877 -6.194 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.636 -4.476 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.293 -3.621 -5.221 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.911 -3.518 -4.487 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.592 -6.525 -8.561 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.802 -7.677 -9.415 1.00 0.00 C ATOM 1451 C TYR A 91 -2.620 -8.622 -9.314 1.00 0.00 C ATOM 1452 O TYR A 91 -1.604 -8.295 -8.712 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.982 -7.243 -10.863 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.284 -6.533 -11.148 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.433 -7.253 -11.434 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.357 -5.147 -11.154 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.622 -6.614 -11.714 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.543 -4.500 -11.442 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.671 -5.240 -11.720 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.854 -4.597 -12.013 1.00 0.00 O ATOM 0 H TYR A 91 -2.737 -6.007 -8.763 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.705 -8.189 -9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.157 -6.585 -11.137 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.915 -8.122 -11.503 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.396 -8.332 -11.438 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.474 -4.566 -10.930 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.510 -7.190 -11.928 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.586 -3.421 -11.449 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.718 -3.627 -11.973 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.745 -9.784 -9.902 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.684 -10.771 -9.888 1.00 0.00 C ATOM 1472 C GLN A 92 -0.886 -10.688 -11.182 1.00 0.00 C ATOM 1473 O GLN A 92 -1.454 -10.565 -12.260 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.276 -12.177 -9.752 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.272 -13.227 -9.311 1.00 0.00 C ATOM 1476 CD GLN A 92 -1.036 -13.201 -7.815 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.701 -13.899 -7.070 1.00 0.00 O ATOM 1478 NE2 GLN A 92 -0.097 -12.388 -7.368 1.00 0.00 N ATOM 0 H GLN A 92 -3.583 -10.077 -10.405 1.00 0.00 H new ATOM 0 HA GLN A 92 -1.030 -10.570 -9.040 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.095 -12.148 -9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.702 -12.475 -10.710 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.629 -14.214 -9.604 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.327 -13.064 -9.829 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.439 -11.819 -8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.092 -12.329 -6.367 1.00 0.00 H new ATOM 1487 N GLU A 93 0.430 -10.736 -11.082 1.00 0.00 N ATOM 1488 CA GLU A 93 1.272 -10.729 -12.265 1.00 0.00 C ATOM 1489 C GLU A 93 2.235 -11.905 -12.248 1.00 0.00 C ATOM 1490 O GLU A 93 3.278 -11.891 -12.912 1.00 0.00 O ATOM 1491 CB GLU A 93 2.027 -9.408 -12.413 1.00 0.00 C ATOM 1492 CG GLU A 93 2.950 -9.062 -11.263 1.00 0.00 C ATOM 1493 CD GLU A 93 3.808 -7.859 -11.576 1.00 0.00 C ATOM 1494 OE1 GLU A 93 3.335 -6.723 -11.386 1.00 0.00 O ATOM 1495 OE2 GLU A 93 4.950 -8.043 -12.044 1.00 0.00 O ATOM 0 H GLU A 93 0.937 -10.780 -10.198 1.00 0.00 H new ATOM 0 HA GLU A 93 0.620 -10.831 -13.133 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.614 -9.444 -13.331 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.301 -8.604 -12.530 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.359 -8.864 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.589 -9.916 -11.040 1.00 0.00 H new ATOM 1502 N GLN A 94 1.897 -12.919 -11.451 1.00 0.00 N ATOM 1503 CA GLN A 94 2.659 -14.170 -11.399 1.00 0.00 C ATOM 1504 C GLN A 94 2.542 -14.923 -12.742 1.00 0.00 C ATOM 1505 O GLN A 94 2.258 -14.324 -13.782 1.00 0.00 O ATOM 1506 CB GLN A 94 2.142 -15.059 -10.261 1.00 0.00 C ATOM 1507 CG GLN A 94 2.296 -14.460 -8.880 1.00 0.00 C ATOM 1508 CD GLN A 94 1.718 -15.351 -7.794 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.772 -16.102 -8.026 1.00 0.00 O ATOM 1510 NE2 GLN A 94 2.288 -15.281 -6.606 1.00 0.00 N ATOM 0 H GLN A 94 1.092 -12.898 -10.826 1.00 0.00 H new ATOM 0 HA GLN A 94 3.706 -13.930 -11.216 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.088 -15.274 -10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.671 -16.012 -10.292 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.353 -14.285 -8.679 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.801 -13.489 -8.851 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.071 -14.645 -6.453 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.946 -15.862 -5.841 1.00 0.00 H new ATOM 1519 N THR A 95 2.716 -16.229 -12.723 1.00 0.00 N ATOM 1520 CA THR A 95 2.654 -17.011 -13.940 1.00 0.00 C ATOM 1521 C THR A 95 2.545 -18.505 -13.625 1.00 0.00 C ATOM 1522 O THR A 95 3.512 -19.170 -13.231 1.00 0.00 O ATOM 1523 CB THR A 95 3.849 -16.717 -14.895 1.00 0.00 C ATOM 1524 OG1 THR A 95 3.751 -17.519 -16.076 1.00 0.00 O ATOM 1525 CG2 THR A 95 5.192 -16.956 -14.216 1.00 0.00 C ATOM 0 H THR A 95 2.901 -16.770 -11.879 1.00 0.00 H new ATOM 0 HA THR A 95 1.751 -16.709 -14.470 1.00 0.00 H new ATOM 0 HB THR A 95 3.796 -15.663 -15.167 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.507 -17.323 -16.668 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.998 -16.739 -14.917 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.282 -16.304 -13.347 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.259 -17.996 -13.897 1.00 0.00 H new ATOM 1533 N GLY A 96 1.340 -19.012 -13.743 1.00 0.00 N ATOM 1534 CA GLY A 96 1.093 -20.405 -13.491 1.00 0.00 C ATOM 1535 C GLY A 96 0.015 -20.962 -14.383 1.00 0.00 C ATOM 1536 O GLY A 96 -1.178 -20.831 -14.095 1.00 0.00 O ATOM 0 H GLY A 96 0.516 -18.475 -14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.014 -20.969 -13.641 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.804 -20.538 -12.448 1.00 0.00 H new ATOM 1540 N GLY A 97 0.418 -21.563 -15.475 1.00 0.00 N ATOM 1541 CA GLY A 97 -0.522 -22.164 -16.387 1.00 0.00 C ATOM 1542 C GLY A 97 -0.577 -23.660 -16.209 1.00 0.00 C ATOM 1543 O GLY A 97 -0.384 -24.130 -15.067 1.00 0.00 O ATOM 1544 OXT GLY A 97 -0.779 -24.376 -17.203 1.00 0.00 O ATOM 0 H GLY A 97 1.395 -21.649 -15.754 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.513 -21.739 -16.224 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -0.239 -21.928 -17.413 1.00 0.00 H new TER 1548 GLY A 97