USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1101 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: C 43 LYS NZ :NH3+ -168:sc= 0.455 (180deg=0.0995) USER MOD Set 1.2: C 54 SER OG : rot 180:sc= -2.4! USER MOD Set 1.3: C 57 GLN : amide:sc= -2.89! C(o=-4.8!,f=-10!) USER MOD Set 2.1: C 15 LYS NZ :NH3+ -119:sc= 0.0183 (180deg=-0.0991) USER MOD Set 2.2: C 36 GLN : amide:sc= -2.17! C(o=-2.2!,f=-6.2!) USER MOD Single : A 0 SER OG : rot 43:sc= 0.0755 USER MOD Single : A 1 MET CE :methyl 150:sc= 0 (180deg=-1.61!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -1 GLY N :NH3+ -119:sc= 0.101 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HE2:sc= -1.98 K(o=-0.83,f=-7.9!) USER MOD Single : A 15 CYS SG : rot 101:sc= 1.18 USER MOD Single : A 17 SER OG : rot 22:sc= 0.332 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 126:sc= 1.19 USER MOD Single : C 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 5 HIS : no HD1:sc= -0.0976 K(o=-0.098,f=-0.61) USER MOD Single : C 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 7 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.05) USER MOD Single : C 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : C 16 MET CE :methyl 161:sc= -0.146 (180deg=-0.636) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 42:sc= 0.118 USER MOD Single : C 26 SER OG : rot 180:sc=7.76e-05 USER MOD Single : C 27 GLN : amide:sc= 1.03 K(o=1,f=-7.8!) USER MOD Single : C 28 THR OG1 : rot 21:sc= -4.21! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : C 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 38 ASN : amide:sc= 0.0873 K(o=0.087,f=-2.1) USER MOD Single : C 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 HIS : no HE2:sc= 0.756 K(o=0.76,f=-2.3!) USER MOD Single : C 49 SER OG : rot -170:sc= -0.07 USER MOD Single : C 51 SER OG : rot 14:sc= 0.79 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.363 USER MOD Single : C 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 67 GLN : amide:sc= 0.496 X(o=0.5,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ -160:sc= -0.0486 (180deg=-0.361) USER MOD Single : C 73 GLN : amide:sc= -0.0313 X(o=-0.031,f=0) USER MOD Single : C 75 TYR OH : rot -148:sc= 0.00802 USER MOD Single : C 76 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.83) USER MOD Single : C 80 LYS NZ :NH3+ -133:sc= -0.045 (180deg=-0.41) USER MOD Single : C 83 HIS : no HE2:sc= 0.632 K(o=0.63,f=-2.1!) USER MOD Single : C 91 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : C 92 THR OG1 : rot 180:sc= 0 USER MOD Single : C 93 HIS : no HD1:sc= 0 X(o=0,f=-0.00088) USER MOD Single : C 96 SER OG : rot 150:sc= -0.122 USER MOD Single : C 99 SER OG : rot 14:sc= 0.915 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -14.314 -3.013 19.509 1.00 0.00 N ATOM 2 CA GLY A -1 -15.782 -2.859 19.629 1.00 0.00 C ATOM 3 C GLY A -1 -16.521 -3.793 18.699 1.00 0.00 C ATOM 4 O GLY A -1 -15.900 -4.531 17.932 1.00 0.00 O ATOM 0 H1 GLY A -1 -13.920 -3.313 20.424 1.00 0.00 H new ATOM 0 H2 GLY A -1 -14.098 -3.730 18.787 1.00 0.00 H new ATOM 0 H3 GLY A -1 -13.891 -2.104 19.232 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -16.085 -3.055 20.657 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -16.059 -1.829 19.405 1.00 0.00 H new ATOM 10 N SER A 0 -17.841 -3.763 18.762 1.00 0.00 N ATOM 11 CA SER A 0 -18.667 -4.608 17.918 1.00 0.00 C ATOM 12 C SER A 0 -18.731 -4.057 16.498 1.00 0.00 C ATOM 13 O SER A 0 -19.233 -2.956 16.272 1.00 0.00 O ATOM 14 CB SER A 0 -20.065 -4.713 18.523 1.00 0.00 C ATOM 15 OG SER A 0 -20.499 -3.450 19.007 1.00 0.00 O ATOM 0 H SER A 0 -18.366 -3.158 19.393 1.00 0.00 H new ATOM 0 HA SER A 0 -18.225 -5.603 17.866 1.00 0.00 H new ATOM 0 HB2 SER A 0 -20.765 -5.080 17.772 1.00 0.00 H new ATOM 0 HB3 SER A 0 -20.061 -5.438 19.337 1.00 0.00 H new ATOM 0 HG SER A 0 -20.268 -2.754 18.357 1.00 0.00 H new ATOM 21 N MET A 1 -18.200 -4.816 15.550 1.00 0.00 N ATOM 22 CA MET A 1 -18.175 -4.396 14.154 1.00 0.00 C ATOM 23 C MET A 1 -18.073 -5.604 13.229 1.00 0.00 C ATOM 24 O MET A 1 -18.678 -5.631 12.157 1.00 0.00 O ATOM 25 CB MET A 1 -17.016 -3.421 13.905 1.00 0.00 C ATOM 26 CG MET A 1 -15.658 -3.939 14.352 1.00 0.00 C ATOM 27 SD MET A 1 -14.349 -2.711 14.157 1.00 0.00 S ATOM 28 CE MET A 1 -12.948 -3.595 14.840 1.00 0.00 C ATOM 0 H MET A 1 -17.779 -5.729 15.722 1.00 0.00 H new ATOM 0 HA MET A 1 -19.109 -3.879 13.935 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.972 -3.191 12.840 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.225 -2.486 14.425 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.715 -4.241 15.398 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.405 -4.829 13.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.033 -3.262 14.350 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.879 -3.397 15.910 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.078 -4.665 14.677 1.00 0.00 H new ATOM 38 N ALA A 2 -17.318 -6.606 13.653 1.00 0.00 N ATOM 39 CA ALA A 2 -17.169 -7.829 12.886 1.00 0.00 C ATOM 40 C ALA A 2 -17.395 -9.035 13.785 1.00 0.00 C ATOM 41 O ALA A 2 -16.557 -9.359 14.628 1.00 0.00 O ATOM 42 CB ALA A 2 -15.794 -7.888 12.239 1.00 0.00 C ATOM 0 H ALA A 2 -16.797 -6.594 14.530 1.00 0.00 H new ATOM 0 HA ALA A 2 -17.916 -7.842 12.092 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -15.700 -8.812 11.668 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.669 -7.035 11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.026 -7.860 13.012 1.00 0.00 H new ATOM 48 N GLU A 3 -18.539 -9.675 13.618 1.00 0.00 N ATOM 49 CA GLU A 3 -18.908 -10.820 14.438 1.00 0.00 C ATOM 50 C GLU A 3 -18.926 -12.098 13.602 1.00 0.00 C ATOM 51 O GLU A 3 -18.493 -13.156 14.062 1.00 0.00 O ATOM 52 CB GLU A 3 -20.276 -10.594 15.109 1.00 0.00 C ATOM 53 CG GLU A 3 -21.463 -10.514 14.148 1.00 0.00 C ATOM 54 CD GLU A 3 -21.410 -9.316 13.218 1.00 0.00 C ATOM 55 OE1 GLU A 3 -20.723 -9.398 12.178 1.00 0.00 O ATOM 56 OE2 GLU A 3 -22.048 -8.287 13.523 1.00 0.00 O ATOM 0 H GLU A 3 -19.235 -9.420 12.917 1.00 0.00 H new ATOM 0 HA GLU A 3 -18.158 -10.932 15.221 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.455 -11.404 15.816 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.232 -9.670 15.686 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -21.499 -11.426 13.551 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.386 -10.474 14.726 1.00 0.00 H new ATOM 63 N ALA A 4 -19.418 -11.986 12.371 1.00 0.00 N ATOM 64 CA ALA A 4 -19.474 -13.119 11.457 1.00 0.00 C ATOM 65 C ALA A 4 -18.070 -13.580 11.093 1.00 0.00 C ATOM 66 O ALA A 4 -17.805 -14.775 10.956 1.00 0.00 O ATOM 67 CB ALA A 4 -20.259 -12.752 10.207 1.00 0.00 C ATOM 0 H ALA A 4 -19.785 -11.117 11.984 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.985 -13.942 11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.292 -13.608 9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.274 -12.469 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -19.774 -11.915 9.705 1.00 0.00 H new ATOM 73 N SER A 5 -17.175 -12.622 10.932 1.00 0.00 N ATOM 74 CA SER A 5 -15.772 -12.909 10.691 1.00 0.00 C ATOM 75 C SER A 5 -14.906 -11.844 11.370 1.00 0.00 C ATOM 76 O SER A 5 -14.460 -10.892 10.735 1.00 0.00 O ATOM 77 CB SER A 5 -15.506 -12.969 9.183 1.00 0.00 C ATOM 78 OG SER A 5 -16.318 -13.957 8.565 1.00 0.00 O ATOM 0 H SER A 5 -17.399 -11.627 10.964 1.00 0.00 H new ATOM 0 HA SER A 5 -15.514 -13.879 11.117 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.706 -11.996 8.735 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.454 -13.192 9.004 1.00 0.00 H new ATOM 0 HG SER A 5 -16.133 -13.977 7.603 1.00 0.00 H new ATOM 84 N PRO A 6 -14.690 -11.984 12.688 1.00 0.00 N ATOM 85 CA PRO A 6 -13.983 -10.983 13.499 1.00 0.00 C ATOM 86 C PRO A 6 -12.547 -10.698 13.049 1.00 0.00 C ATOM 87 O PRO A 6 -12.157 -9.538 12.933 1.00 0.00 O ATOM 88 CB PRO A 6 -13.983 -11.581 14.900 1.00 0.00 C ATOM 89 CG PRO A 6 -15.079 -12.589 14.900 1.00 0.00 C ATOM 90 CD PRO A 6 -15.146 -13.121 13.501 1.00 0.00 C ATOM 0 HA PRO A 6 -14.480 -10.016 13.418 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.023 -12.044 15.129 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.155 -10.814 15.655 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.875 -13.388 15.613 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.027 -12.136 15.192 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.505 -13.993 13.370 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.158 -13.427 13.234 1.00 0.00 H new ATOM 98 N HIS A 7 -11.757 -11.738 12.800 1.00 0.00 N ATOM 99 CA HIS A 7 -10.338 -11.540 12.500 1.00 0.00 C ATOM 100 C HIS A 7 -10.086 -11.268 11.003 1.00 0.00 C ATOM 101 O HIS A 7 -9.680 -10.161 10.649 1.00 0.00 O ATOM 102 CB HIS A 7 -9.490 -12.719 13.004 1.00 0.00 C ATOM 103 CG HIS A 7 -9.472 -12.868 14.496 1.00 0.00 C ATOM 104 ND1 HIS A 7 -9.869 -14.019 15.141 1.00 0.00 N ATOM 105 CD2 HIS A 7 -9.087 -12.010 15.469 1.00 0.00 C ATOM 106 CE1 HIS A 7 -9.729 -13.862 16.444 1.00 0.00 C ATOM 107 NE2 HIS A 7 -9.254 -12.652 16.671 1.00 0.00 N ATOM 0 H HIS A 7 -12.065 -12.710 12.799 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.025 -10.646 13.039 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.870 -13.640 12.562 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.467 -12.594 12.650 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.717 -11.006 15.326 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.964 -14.599 17.197 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -9.045 -12.258 17.589 1.00 0.00 H new ATOM 116 N PRO A 8 -10.326 -12.240 10.090 1.00 0.00 N ATOM 117 CA PRO A 8 -10.038 -12.066 8.658 1.00 0.00 C ATOM 118 C PRO A 8 -11.162 -11.361 7.914 1.00 0.00 C ATOM 119 O PRO A 8 -11.088 -11.148 6.703 1.00 0.00 O ATOM 120 CB PRO A 8 -9.934 -13.492 8.184 1.00 0.00 C ATOM 121 CG PRO A 8 -11.000 -14.173 8.957 1.00 0.00 C ATOM 122 CD PRO A 8 -10.899 -13.586 10.339 1.00 0.00 C ATOM 0 HA PRO A 8 -9.154 -11.452 8.485 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.098 -13.574 7.110 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.951 -13.916 8.390 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.983 -13.994 8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -10.851 -15.253 8.973 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.873 -13.526 10.824 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.257 -14.184 10.986 1.00 0.00 H new ATOM 130 N GLY A 9 -12.200 -11.005 8.648 1.00 0.00 N ATOM 131 CA GLY A 9 -13.378 -10.439 8.038 1.00 0.00 C ATOM 132 C GLY A 9 -13.389 -8.938 8.079 1.00 0.00 C ATOM 133 O GLY A 9 -14.351 -8.299 7.657 1.00 0.00 O ATOM 0 H GLY A 9 -12.247 -11.099 9.663 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -13.440 -10.770 7.001 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.264 -10.819 8.547 1.00 0.00 H new ATOM 137 N ARG A 10 -12.333 -8.370 8.613 1.00 0.00 N ATOM 138 CA ARG A 10 -12.217 -6.929 8.666 1.00 0.00 C ATOM 139 C ARG A 10 -11.365 -6.411 7.522 1.00 0.00 C ATOM 140 O ARG A 10 -10.152 -6.259 7.645 1.00 0.00 O ATOM 141 CB ARG A 10 -11.642 -6.460 9.998 1.00 0.00 C ATOM 142 CG ARG A 10 -12.445 -6.893 11.210 1.00 0.00 C ATOM 143 CD ARG A 10 -11.961 -6.178 12.458 1.00 0.00 C ATOM 144 NE ARG A 10 -10.502 -6.080 12.494 1.00 0.00 N ATOM 145 CZ ARG A 10 -9.739 -6.578 13.461 1.00 0.00 C ATOM 146 NH1 ARG A 10 -10.285 -7.233 14.478 1.00 0.00 N ATOM 147 NH2 ARG A 10 -8.423 -6.414 13.402 1.00 0.00 N ATOM 0 H ARG A 10 -11.546 -8.879 9.015 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.223 -6.522 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.625 -6.840 10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.576 -5.372 9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.501 -6.678 11.048 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -12.356 -7.971 11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.394 -5.178 12.496 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.312 -6.711 13.342 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.039 -5.597 11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.297 -7.357 14.521 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.693 -7.613 15.217 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.007 -5.910 12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.828 -6.792 14.139 1.00 0.00 H new ATOM 161 N TYR A 11 -12.011 -6.181 6.401 1.00 0.00 N ATOM 162 CA TYR A 11 -11.409 -5.464 5.294 1.00 0.00 C ATOM 163 C TYR A 11 -12.300 -4.309 4.930 1.00 0.00 C ATOM 164 O TYR A 11 -13.455 -4.253 5.338 1.00 0.00 O ATOM 165 CB TYR A 11 -11.235 -6.350 4.069 1.00 0.00 C ATOM 166 CG TYR A 11 -10.064 -7.261 4.100 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.990 -8.268 5.034 1.00 0.00 C ATOM 168 CD2 TYR A 11 -9.051 -7.124 3.170 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.922 -9.130 5.057 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.972 -7.982 3.179 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.908 -8.987 4.128 1.00 0.00 C ATOM 172 OH TYR A 11 -6.837 -9.853 4.140 1.00 0.00 O ATOM 0 H TYR A 11 -12.969 -6.485 6.229 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.422 -5.123 5.607 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -12.137 -6.950 3.945 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -11.153 -5.712 3.189 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.783 -8.382 5.759 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.105 -6.339 2.430 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.874 -9.916 5.797 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.182 -7.871 2.451 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.215 -9.614 3.421 1.00 0.00 H new ATOM 182 N PHE A 12 -11.777 -3.426 4.130 1.00 0.00 N ATOM 183 CA PHE A 12 -12.510 -2.243 3.726 1.00 0.00 C ATOM 184 C PHE A 12 -12.172 -1.885 2.300 1.00 0.00 C ATOM 185 O PHE A 12 -11.006 -1.649 1.974 1.00 0.00 O ATOM 186 CB PHE A 12 -12.216 -1.049 4.637 1.00 0.00 C ATOM 187 CG PHE A 12 -13.010 0.168 4.261 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.389 0.142 4.308 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.383 1.325 3.837 1.00 0.00 C ATOM 190 CE1 PHE A 12 -15.135 1.241 3.943 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.122 2.434 3.467 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.502 2.392 3.520 1.00 0.00 C ATOM 0 H PHE A 12 -10.838 -3.497 3.737 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.572 -2.475 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.438 -1.320 5.669 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -11.153 -0.814 4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.892 -0.755 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.305 1.363 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -16.213 1.202 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.621 3.332 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.083 3.256 3.232 1.00 0.00 H new ATOM 202 N CYS A 13 -13.173 -1.845 1.439 1.00 0.00 N ATOM 203 CA CYS A 13 -12.924 -1.482 0.073 1.00 0.00 C ATOM 204 C CYS A 13 -13.088 0.025 -0.112 1.00 0.00 C ATOM 205 O CYS A 13 -14.181 0.525 -0.361 1.00 0.00 O ATOM 206 CB CYS A 13 -13.776 -2.307 -0.891 1.00 0.00 C ATOM 207 SG CYS A 13 -15.562 -2.070 -0.848 1.00 0.00 S ATOM 0 H CYS A 13 -14.145 -2.057 1.664 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.890 -1.721 -0.174 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -13.434 -2.096 -1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -13.573 -3.361 -0.699 1.00 0.00 H new ATOM 212 N HIS A 14 -11.967 0.737 0.037 1.00 0.00 N ATOM 213 CA HIS A 14 -11.949 2.202 0.030 1.00 0.00 C ATOM 214 C HIS A 14 -12.557 2.782 -1.237 1.00 0.00 C ATOM 215 O HIS A 14 -13.304 3.753 -1.178 1.00 0.00 O ATOM 216 CB HIS A 14 -10.526 2.723 0.169 1.00 0.00 C ATOM 217 CG HIS A 14 -9.979 2.708 1.565 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.915 3.829 2.361 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.445 1.705 2.296 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.367 3.515 3.519 1.00 0.00 C ATOM 221 NE2 HIS A 14 -9.069 2.232 3.508 1.00 0.00 N ATOM 0 H HIS A 14 -11.048 0.314 0.166 1.00 0.00 H new ATOM 0 HA HIS A 14 -12.552 2.520 0.880 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.873 2.126 -0.467 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.491 3.745 -0.208 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -10.241 4.759 2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.334 0.677 1.985 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -9.192 4.196 4.339 1.00 0.00 H new ATOM 230 N CYS A 15 -12.236 2.174 -2.373 1.00 0.00 N ATOM 231 CA CYS A 15 -12.657 2.689 -3.672 1.00 0.00 C ATOM 232 C CYS A 15 -14.167 2.871 -3.757 1.00 0.00 C ATOM 233 O CYS A 15 -14.654 3.928 -4.159 1.00 0.00 O ATOM 234 CB CYS A 15 -12.183 1.770 -4.763 1.00 0.00 C ATOM 235 SG CYS A 15 -12.582 2.313 -6.440 1.00 0.00 S ATOM 0 H CYS A 15 -11.682 1.319 -2.421 1.00 0.00 H new ATOM 0 HA CYS A 15 -12.206 3.673 -3.798 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.102 1.658 -4.680 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.619 0.784 -4.602 1.00 0.00 H new ATOM 0 HG CYS A 15 -11.534 2.862 -6.979 1.00 0.00 H new ATOM 241 N CYS A 16 -14.905 1.843 -3.373 1.00 0.00 N ATOM 242 CA CYS A 16 -16.355 1.894 -3.419 1.00 0.00 C ATOM 243 C CYS A 16 -16.955 2.177 -2.031 1.00 0.00 C ATOM 244 O CYS A 16 -18.170 2.172 -1.841 1.00 0.00 O ATOM 245 CB CYS A 16 -16.889 0.597 -4.023 1.00 0.00 C ATOM 246 SG CYS A 16 -15.619 -0.678 -4.269 1.00 0.00 S ATOM 0 H CYS A 16 -14.523 0.963 -3.026 1.00 0.00 H new ATOM 0 HA CYS A 16 -16.662 2.723 -4.056 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -17.668 0.199 -3.373 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -17.357 0.820 -4.982 1.00 0.00 H new ATOM 251 N SER A 17 -16.051 2.433 -1.077 1.00 0.00 N ATOM 252 CA SER A 17 -16.368 2.863 0.295 1.00 0.00 C ATOM 253 C SER A 17 -17.361 1.950 1.029 1.00 0.00 C ATOM 254 O SER A 17 -18.410 2.402 1.487 1.00 0.00 O ATOM 255 CB SER A 17 -16.851 4.325 0.310 1.00 0.00 C ATOM 256 OG SER A 17 -17.893 4.555 -0.627 1.00 0.00 O ATOM 0 H SER A 17 -15.048 2.345 -1.241 1.00 0.00 H new ATOM 0 HA SER A 17 -15.434 2.784 0.852 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.201 4.580 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.013 4.985 0.088 1.00 0.00 H new ATOM 0 HG SER A 17 -18.329 3.705 -0.846 1.00 0.00 H new ATOM 262 N VAL A 18 -17.014 0.670 1.164 1.00 0.00 N ATOM 263 CA VAL A 18 -17.824 -0.270 1.946 1.00 0.00 C ATOM 264 C VAL A 18 -16.916 -1.245 2.697 1.00 0.00 C ATOM 265 O VAL A 18 -15.850 -1.607 2.198 1.00 0.00 O ATOM 266 CB VAL A 18 -18.779 -1.103 1.065 1.00 0.00 C ATOM 267 CG1 VAL A 18 -19.852 -1.764 1.915 1.00 0.00 C ATOM 268 CG2 VAL A 18 -19.413 -0.269 -0.036 1.00 0.00 C ATOM 0 H VAL A 18 -16.180 0.259 0.744 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.416 0.333 2.635 1.00 0.00 H new ATOM 0 HB VAL A 18 -18.181 -1.878 0.584 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.515 -2.347 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.383 -2.422 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.429 -0.998 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.077 -0.896 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.985 0.546 0.408 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.633 0.142 -0.676 1.00 0.00 H new ATOM 278 N GLU A 19 -17.324 -1.667 3.890 1.00 0.00 N ATOM 279 CA GLU A 19 -16.539 -2.630 4.653 1.00 0.00 C ATOM 280 C GLU A 19 -16.945 -4.048 4.298 1.00 0.00 C ATOM 281 O GLU A 19 -18.131 -4.341 4.144 1.00 0.00 O ATOM 282 CB GLU A 19 -16.673 -2.408 6.140 1.00 0.00 C ATOM 283 CG GLU A 19 -15.709 -3.229 6.925 1.00 0.00 C ATOM 284 CD GLU A 19 -15.633 -2.837 8.381 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.183 -1.710 8.680 1.00 0.00 O ATOM 286 OE2 GLU A 19 -16.031 -3.650 9.239 1.00 0.00 O ATOM 0 H GLU A 19 -18.184 -1.361 4.345 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.493 -2.481 4.387 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.514 -1.353 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.689 -2.650 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.995 -4.278 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.718 -3.137 6.480 1.00 0.00 H new ATOM 293 N ILE A 20 -15.959 -4.933 4.182 1.00 0.00 N ATOM 294 CA ILE A 20 -16.173 -6.212 3.520 1.00 0.00 C ATOM 295 C ILE A 20 -15.408 -7.377 4.146 1.00 0.00 C ATOM 296 O ILE A 20 -14.518 -7.193 4.976 1.00 0.00 O ATOM 297 CB ILE A 20 -15.705 -6.141 2.071 1.00 0.00 C ATOM 298 CG1 ILE A 20 -14.208 -6.082 2.064 1.00 0.00 C ATOM 299 CG2 ILE A 20 -16.267 -4.920 1.370 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.593 -6.615 0.812 1.00 0.00 C ATOM 0 H ILE A 20 -15.013 -4.789 4.535 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.243 -6.394 3.617 1.00 0.00 H new ATOM 0 HB ILE A 20 -16.060 -7.022 1.537 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.893 -5.048 2.201 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.827 -6.647 2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.915 -4.898 0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.356 -4.963 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.935 -4.019 1.886 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.508 -6.540 0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.877 -7.659 0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.945 -6.035 -0.041 1.00 0.00 H new ATOM 312 N VAL A 21 -15.779 -8.574 3.707 1.00 0.00 N ATOM 313 CA VAL A 21 -14.963 -9.760 3.845 1.00 0.00 C ATOM 314 C VAL A 21 -14.657 -10.274 2.440 1.00 0.00 C ATOM 315 O VAL A 21 -15.490 -10.886 1.774 1.00 0.00 O ATOM 316 CB VAL A 21 -15.659 -10.864 4.660 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.735 -12.051 4.875 1.00 0.00 C ATOM 318 CG2 VAL A 21 -16.167 -10.327 5.987 1.00 0.00 C ATOM 0 H VAL A 21 -16.669 -8.744 3.239 1.00 0.00 H new ATOM 0 HA VAL A 21 -14.054 -9.499 4.386 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.519 -11.207 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -15.253 -12.815 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.442 -12.463 3.910 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.846 -11.727 5.416 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.654 -11.129 6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.329 -9.941 6.568 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.882 -9.525 5.805 1.00 0.00 H new ATOM 328 N PRO A 22 -13.453 -9.960 1.994 1.00 0.00 N ATOM 329 CA PRO A 22 -12.976 -10.109 0.612 1.00 0.00 C ATOM 330 C PRO A 22 -13.113 -11.466 -0.066 1.00 0.00 C ATOM 331 O PRO A 22 -13.528 -12.471 0.507 1.00 0.00 O ATOM 332 CB PRO A 22 -11.501 -9.781 0.696 1.00 0.00 C ATOM 333 CG PRO A 22 -11.183 -9.533 2.124 1.00 0.00 C ATOM 334 CD PRO A 22 -12.454 -9.320 2.835 1.00 0.00 C ATOM 0 HA PRO A 22 -13.604 -9.467 -0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.902 -10.604 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.268 -8.904 0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.645 -10.380 2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.537 -8.661 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.431 -9.763 3.831 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.664 -8.258 2.963 1.00 0.00 H new ATOM 342 N ARG A 23 -12.692 -11.422 -1.325 1.00 0.00 N ATOM 343 CA ARG A 23 -12.735 -12.508 -2.274 1.00 0.00 C ATOM 344 C ARG A 23 -11.295 -12.826 -2.669 1.00 0.00 C ATOM 345 O ARG A 23 -10.916 -12.805 -3.842 1.00 0.00 O ATOM 346 CB ARG A 23 -13.575 -12.090 -3.468 1.00 0.00 C ATOM 347 CG ARG A 23 -15.039 -12.465 -3.381 1.00 0.00 C ATOM 348 CD ARG A 23 -15.831 -11.793 -4.481 1.00 0.00 C ATOM 349 NE ARG A 23 -17.270 -12.003 -4.344 1.00 0.00 N ATOM 350 CZ ARG A 23 -18.189 -11.378 -5.082 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.823 -10.496 -6.006 1.00 0.00 N ATOM 352 NH2 ARG A 23 -19.473 -11.640 -4.895 1.00 0.00 N ATOM 0 H ARG A 23 -12.290 -10.574 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 23 -13.193 -13.402 -1.851 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -13.498 -11.009 -3.587 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.153 -12.540 -4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.147 -13.547 -3.457 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -15.437 -12.173 -2.409 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.621 -10.723 -4.474 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.502 -12.176 -5.447 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.592 -12.668 -3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.834 -10.293 -6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.531 -10.022 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.757 -12.318 -4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.178 -11.164 -5.458 1.00 0.00 H new ATOM 366 N LEU A 24 -10.513 -12.995 -1.606 1.00 0.00 N ATOM 367 CA LEU A 24 -9.086 -13.368 -1.586 1.00 0.00 C ATOM 368 C LEU A 24 -8.450 -13.793 -2.917 1.00 0.00 C ATOM 369 O LEU A 24 -7.435 -13.203 -3.281 1.00 0.00 O ATOM 370 CB LEU A 24 -8.839 -14.456 -0.523 1.00 0.00 C ATOM 371 CG LEU A 24 -8.471 -13.977 0.890 1.00 0.00 C ATOM 372 CD1 LEU A 24 -7.012 -13.563 0.949 1.00 0.00 C ATOM 373 CD2 LEU A 24 -9.364 -12.828 1.336 1.00 0.00 C ATOM 0 H LEU A 24 -10.879 -12.867 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.583 -12.433 -1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.737 -15.069 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.039 -15.104 -0.881 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.628 -14.811 1.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.770 -13.227 1.957 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.382 -14.413 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.835 -12.751 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.078 -12.513 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.252 -11.991 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.403 -13.156 1.342 1.00 0.00 H new ATOM 385 N PRO A 25 -8.956 -14.839 -3.625 1.00 0.00 N ATOM 386 CA PRO A 25 -8.440 -15.257 -4.929 1.00 0.00 C ATOM 387 C PRO A 25 -7.910 -14.110 -5.797 1.00 0.00 C ATOM 388 O PRO A 25 -6.946 -14.267 -6.546 1.00 0.00 O ATOM 389 CB PRO A 25 -9.660 -15.886 -5.568 1.00 0.00 C ATOM 390 CG PRO A 25 -10.353 -16.558 -4.436 1.00 0.00 C ATOM 391 CD PRO A 25 -10.038 -15.744 -3.202 1.00 0.00 C ATOM 0 HA PRO A 25 -7.577 -15.914 -4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.297 -15.136 -6.037 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.381 -16.598 -6.345 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.428 -16.601 -4.609 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.007 -17.585 -4.323 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.910 -15.187 -2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.723 -16.381 -2.376 1.00 0.00 H new ATOM 399 N ASP A 26 -8.547 -12.957 -5.679 1.00 0.00 N ATOM 400 CA ASP A 26 -8.159 -11.774 -6.432 1.00 0.00 C ATOM 401 C ASP A 26 -7.878 -10.597 -5.515 1.00 0.00 C ATOM 402 O ASP A 26 -7.235 -9.622 -5.906 1.00 0.00 O ATOM 403 CB ASP A 26 -9.299 -11.398 -7.336 1.00 0.00 C ATOM 404 CG ASP A 26 -8.939 -11.447 -8.803 1.00 0.00 C ATOM 405 OD1 ASP A 26 -8.475 -10.416 -9.339 1.00 0.00 O ATOM 406 OD2 ASP A 26 -9.125 -12.508 -9.432 1.00 0.00 O ATOM 0 H ASP A 26 -9.345 -12.814 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.253 -12.003 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.137 -12.070 -7.152 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.636 -10.392 -7.085 1.00 0.00 H new ATOM 411 N TYR A 27 -8.387 -10.714 -4.296 1.00 0.00 N ATOM 412 CA TYR A 27 -8.401 -9.624 -3.315 1.00 0.00 C ATOM 413 C TYR A 27 -9.375 -8.546 -3.745 1.00 0.00 C ATOM 414 O TYR A 27 -9.102 -7.352 -3.675 1.00 0.00 O ATOM 415 CB TYR A 27 -7.021 -9.036 -3.073 1.00 0.00 C ATOM 416 CG TYR A 27 -6.169 -9.893 -2.183 1.00 0.00 C ATOM 417 CD1 TYR A 27 -6.335 -9.869 -0.807 1.00 0.00 C ATOM 418 CD2 TYR A 27 -5.197 -10.718 -2.714 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.552 -10.646 0.016 1.00 0.00 C ATOM 420 CE2 TYR A 27 -4.407 -11.501 -1.898 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.584 -11.459 -0.532 1.00 0.00 C ATOM 422 OH TYR A 27 -3.797 -12.233 0.288 1.00 0.00 O ATOM 0 H TYR A 27 -8.808 -11.577 -3.951 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.730 -10.049 -2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.516 -8.900 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.126 -8.048 -2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.091 -9.230 -0.374 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -5.053 -10.751 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.696 -10.619 1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.653 -12.144 -2.328 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.165 -12.748 -0.256 1.00 0.00 H new ATOM 432 N ILE A 28 -10.506 -9.019 -4.199 1.00 0.00 N ATOM 433 CA ILE A 28 -11.645 -8.190 -4.557 1.00 0.00 C ATOM 434 C ILE A 28 -12.557 -8.022 -3.370 1.00 0.00 C ATOM 435 O ILE A 28 -12.468 -8.768 -2.392 1.00 0.00 O ATOM 436 CB ILE A 28 -12.460 -8.822 -5.696 1.00 0.00 C ATOM 437 CG1 ILE A 28 -12.097 -10.294 -5.738 1.00 0.00 C ATOM 438 CG2 ILE A 28 -12.181 -8.123 -7.013 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.958 -11.167 -6.599 1.00 0.00 C ATOM 0 H ILE A 28 -10.673 -10.016 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.255 -7.226 -4.882 1.00 0.00 H new ATOM 0 HB ILE A 28 -13.530 -8.712 -5.522 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.067 -10.382 -6.084 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.126 -10.682 -4.720 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.769 -8.588 -7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.452 -7.070 -6.931 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.121 -8.207 -7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.600 -12.195 -6.547 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.988 -11.123 -6.246 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.913 -10.818 -7.631 1.00 0.00 H new ATOM 451 N CYS A 29 -13.446 -7.067 -3.468 1.00 0.00 N ATOM 452 CA CYS A 29 -14.428 -6.871 -2.444 1.00 0.00 C ATOM 453 C CYS A 29 -15.696 -7.605 -2.869 1.00 0.00 C ATOM 454 O CYS A 29 -16.012 -7.683 -4.043 1.00 0.00 O ATOM 455 CB CYS A 29 -14.653 -5.365 -2.223 1.00 0.00 C ATOM 456 SG CYS A 29 -15.167 -4.421 -3.684 1.00 0.00 S ATOM 0 H CYS A 29 -13.506 -6.414 -4.250 1.00 0.00 H new ATOM 0 HA CYS A 29 -14.100 -7.277 -1.487 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.409 -5.240 -1.448 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.729 -4.931 -1.840 1.00 0.00 H new ATOM 461 N PRO A 30 -16.417 -8.186 -1.920 1.00 0.00 N ATOM 462 CA PRO A 30 -17.502 -9.119 -2.198 1.00 0.00 C ATOM 463 C PRO A 30 -18.752 -8.346 -2.492 1.00 0.00 C ATOM 464 O PRO A 30 -19.682 -8.813 -3.144 1.00 0.00 O ATOM 465 CB PRO A 30 -17.629 -9.858 -0.867 1.00 0.00 C ATOM 466 CG PRO A 30 -17.343 -8.791 0.137 1.00 0.00 C ATOM 467 CD PRO A 30 -16.293 -7.920 -0.491 1.00 0.00 C ATOM 0 HA PRO A 30 -17.332 -9.779 -3.049 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.624 -10.281 -0.734 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -16.920 -10.682 -0.793 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -18.241 -8.218 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.988 -9.219 1.075 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.462 -6.867 -0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.297 -8.169 -0.124 1.00 0.00 H new ATOM 475 N ARG A 31 -18.727 -7.134 -1.991 1.00 0.00 N ATOM 476 CA ARG A 31 -19.853 -6.248 -2.088 1.00 0.00 C ATOM 477 C ARG A 31 -19.933 -5.534 -3.422 1.00 0.00 C ATOM 478 O ARG A 31 -21.011 -5.124 -3.849 1.00 0.00 O ATOM 479 CB ARG A 31 -19.815 -5.282 -0.963 1.00 0.00 C ATOM 480 CG ARG A 31 -20.081 -6.012 0.310 1.00 0.00 C ATOM 481 CD ARG A 31 -20.154 -5.093 1.509 1.00 0.00 C ATOM 482 NE ARG A 31 -20.401 -5.826 2.748 1.00 0.00 N ATOM 483 CZ ARG A 31 -21.226 -5.412 3.709 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.908 -4.279 3.572 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.372 -6.134 4.811 1.00 0.00 N ATOM 0 H ARG A 31 -17.923 -6.738 -1.505 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.758 -6.852 -2.023 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.843 -4.792 -0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -20.560 -4.500 -1.112 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -21.019 -6.560 0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -19.295 -6.750 0.471 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -19.220 -4.537 1.597 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.947 -4.361 1.357 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.911 -6.710 2.886 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.802 -3.719 2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.537 -3.970 4.313 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.853 -7.005 4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -22.003 -5.818 5.548 1.00 0.00 H new ATOM 499 N CYS A 32 -18.790 -5.390 -4.085 1.00 0.00 N ATOM 500 CA CYS A 32 -18.733 -4.597 -5.304 1.00 0.00 C ATOM 501 C CYS A 32 -17.481 -4.895 -6.152 1.00 0.00 C ATOM 502 O CYS A 32 -17.173 -4.156 -7.084 1.00 0.00 O ATOM 503 CB CYS A 32 -18.827 -3.112 -4.929 1.00 0.00 C ATOM 504 SG CYS A 32 -18.469 -2.773 -3.181 1.00 0.00 S ATOM 0 H CYS A 32 -17.903 -5.806 -3.802 1.00 0.00 H new ATOM 0 HA CYS A 32 -19.579 -4.870 -5.936 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -18.132 -2.546 -5.549 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -19.829 -2.751 -5.162 1.00 0.00 H new ATOM 509 N GLU A 33 -16.757 -5.969 -5.801 1.00 0.00 N ATOM 510 CA GLU A 33 -15.717 -6.562 -6.655 1.00 0.00 C ATOM 511 C GLU A 33 -14.712 -5.542 -7.201 1.00 0.00 C ATOM 512 O GLU A 33 -14.675 -5.263 -8.397 1.00 0.00 O ATOM 513 CB GLU A 33 -16.367 -7.340 -7.791 1.00 0.00 C ATOM 514 CG GLU A 33 -15.478 -8.427 -8.356 1.00 0.00 C ATOM 515 CD GLU A 33 -16.035 -9.030 -9.627 1.00 0.00 C ATOM 516 OE1 GLU A 33 -16.886 -9.937 -9.536 1.00 0.00 O ATOM 517 OE2 GLU A 33 -15.632 -8.592 -10.722 1.00 0.00 O ATOM 0 H GLU A 33 -16.878 -6.453 -4.911 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.138 -7.237 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.294 -7.788 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.636 -6.648 -8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.489 -8.015 -8.556 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -15.351 -9.212 -7.611 1.00 0.00 H new ATOM 524 N SER A 34 -13.925 -4.968 -6.304 1.00 0.00 N ATOM 525 CA SER A 34 -12.760 -4.180 -6.680 1.00 0.00 C ATOM 526 C SER A 34 -11.592 -4.529 -5.761 1.00 0.00 C ATOM 527 O SER A 34 -11.798 -4.815 -4.580 1.00 0.00 O ATOM 528 CB SER A 34 -13.068 -2.702 -6.606 1.00 0.00 C ATOM 529 OG SER A 34 -14.467 -2.469 -6.666 1.00 0.00 O ATOM 0 H SER A 34 -14.075 -5.035 -5.297 1.00 0.00 H new ATOM 0 HA SER A 34 -12.490 -4.415 -7.709 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.667 -2.289 -5.680 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.574 -2.183 -7.427 1.00 0.00 H new ATOM 0 HG SER A 34 -14.743 -1.932 -5.894 1.00 0.00 H new ATOM 535 N GLY A 35 -10.375 -4.506 -6.295 1.00 0.00 N ATOM 536 CA GLY A 35 -9.209 -4.928 -5.530 1.00 0.00 C ATOM 537 C GLY A 35 -8.613 -3.822 -4.676 1.00 0.00 C ATOM 538 O GLY A 35 -7.401 -3.773 -4.466 1.00 0.00 O ATOM 0 H GLY A 35 -10.172 -4.202 -7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.489 -5.762 -4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.447 -5.296 -6.217 1.00 0.00 H new ATOM 542 N PHE A 36 -9.461 -2.943 -4.168 1.00 0.00 N ATOM 543 CA PHE A 36 -9.008 -1.828 -3.347 1.00 0.00 C ATOM 544 C PHE A 36 -9.401 -2.026 -1.891 1.00 0.00 C ATOM 545 O PHE A 36 -10.010 -1.151 -1.270 1.00 0.00 O ATOM 546 CB PHE A 36 -9.576 -0.511 -3.867 1.00 0.00 C ATOM 547 CG PHE A 36 -8.742 0.134 -4.937 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.843 -0.262 -6.262 1.00 0.00 C ATOM 549 CD2 PHE A 36 -7.871 1.159 -4.611 1.00 0.00 C ATOM 550 CE1 PHE A 36 -8.086 0.361 -7.239 1.00 0.00 C ATOM 551 CE2 PHE A 36 -7.111 1.778 -5.579 1.00 0.00 C ATOM 552 CZ PHE A 36 -7.220 1.384 -6.894 1.00 0.00 C ATOM 0 H PHE A 36 -10.471 -2.979 -4.309 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.920 -1.791 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.577 -0.689 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.679 0.183 -3.033 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.516 -1.061 -6.533 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.786 1.478 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.171 0.049 -8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.431 2.571 -5.307 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.630 1.873 -7.655 1.00 0.00 H new ATOM 562 N ILE A 37 -9.053 -3.185 -1.362 1.00 0.00 N ATOM 563 CA ILE A 37 -9.325 -3.507 0.027 1.00 0.00 C ATOM 564 C ILE A 37 -8.063 -3.590 0.837 1.00 0.00 C ATOM 565 O ILE A 37 -7.068 -4.153 0.390 1.00 0.00 O ATOM 566 CB ILE A 37 -10.046 -4.835 0.172 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.476 -5.881 -0.774 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.510 -4.622 -0.052 1.00 0.00 C ATOM 569 CD1 ILE A 37 -10.181 -7.204 -0.683 1.00 0.00 C ATOM 0 H ILE A 37 -8.577 -3.925 -1.879 1.00 0.00 H new ATOM 0 HA ILE A 37 -9.956 -2.698 0.395 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.896 -5.219 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.541 -5.511 -1.797 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.418 -6.024 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -12.036 -5.571 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.892 -3.915 0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.671 -4.225 -1.054 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.728 -7.907 -1.382 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -10.094 -7.594 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.234 -7.073 -0.932 1.00 0.00 H new ATOM 581 N GLU A 38 -8.125 -3.055 2.033 1.00 0.00 N ATOM 582 CA GLU A 38 -7.057 -3.215 2.991 1.00 0.00 C ATOM 583 C GLU A 38 -7.587 -3.984 4.179 1.00 0.00 C ATOM 584 O GLU A 38 -8.774 -3.906 4.497 1.00 0.00 O ATOM 585 CB GLU A 38 -6.521 -1.862 3.448 1.00 0.00 C ATOM 586 CG GLU A 38 -7.597 -0.921 3.962 1.00 0.00 C ATOM 587 CD GLU A 38 -7.069 0.092 4.960 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.856 -0.278 6.128 1.00 0.00 O ATOM 589 OE2 GLU A 38 -6.887 1.270 4.588 1.00 0.00 O ATOM 0 H GLU A 38 -8.912 -2.500 2.368 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.236 -3.758 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.783 -2.020 4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.002 -1.387 2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.044 -0.394 3.119 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.390 -1.505 4.430 1.00 0.00 H new ATOM 596 N GLU A 39 -6.723 -4.763 4.787 1.00 0.00 N ATOM 597 CA GLU A 39 -7.069 -5.514 5.972 1.00 0.00 C ATOM 598 C GLU A 39 -7.008 -4.610 7.192 1.00 0.00 C ATOM 599 O GLU A 39 -5.972 -4.002 7.482 1.00 0.00 O ATOM 600 CB GLU A 39 -6.101 -6.688 6.110 1.00 0.00 C ATOM 601 CG GLU A 39 -6.137 -7.393 7.437 1.00 0.00 C ATOM 602 CD GLU A 39 -4.819 -8.068 7.745 1.00 0.00 C ATOM 603 OE1 GLU A 39 -3.922 -7.395 8.294 1.00 0.00 O ATOM 604 OE2 GLU A 39 -4.661 -9.262 7.421 1.00 0.00 O ATOM 0 H GLU A 39 -5.761 -4.894 4.475 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.085 -5.899 5.891 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.319 -7.413 5.325 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.088 -6.325 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.372 -6.676 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.935 -8.136 7.433 1.00 0.00 H new ATOM 611 N LEU A 40 -8.125 -4.524 7.888 1.00 0.00 N ATOM 612 CA LEU A 40 -8.263 -3.645 9.032 1.00 0.00 C ATOM 613 C LEU A 40 -7.615 -4.289 10.253 1.00 0.00 C ATOM 614 O LEU A 40 -8.276 -5.121 10.912 1.00 0.00 O ATOM 615 CB LEU A 40 -9.748 -3.371 9.309 1.00 0.00 C ATOM 616 CG LEU A 40 -10.503 -2.422 8.348 1.00 0.00 C ATOM 617 CD1 LEU A 40 -9.895 -2.369 6.953 1.00 0.00 C ATOM 618 CD2 LEU A 40 -11.945 -2.867 8.241 1.00 0.00 C ATOM 619 OXT LEU A 40 -6.439 -3.980 10.539 1.00 0.00 O ATOM 0 H LEU A 40 -8.964 -5.063 7.675 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.766 -2.699 8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.269 -4.328 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.830 -2.961 10.316 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.427 -1.419 8.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.472 -1.686 6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.865 -2.018 7.018 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.912 -3.365 6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.482 -2.202 7.565 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.984 -3.885 7.855 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.410 -2.835 9.226 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 30.065 18.205 -2.688 1.00 0.00 N ATOM 633 CA MET C 2 31.043 18.238 -3.799 1.00 0.00 C ATOM 634 C MET C 2 30.914 16.990 -4.660 1.00 0.00 C ATOM 635 O MET C 2 30.976 15.869 -4.149 1.00 0.00 O ATOM 636 CB MET C 2 32.471 18.354 -3.254 1.00 0.00 C ATOM 637 CG MET C 2 33.545 18.289 -4.328 1.00 0.00 C ATOM 638 SD MET C 2 33.312 19.526 -5.618 1.00 0.00 S ATOM 639 CE MET C 2 34.697 19.159 -6.693 1.00 0.00 C ATOM 0 HA MET C 2 30.831 19.112 -4.415 1.00 0.00 H new ATOM 0 HB2 MET C 2 32.568 19.295 -2.713 1.00 0.00 H new ATOM 0 HB3 MET C 2 32.641 17.553 -2.534 1.00 0.00 H new ATOM 0 HG2 MET C 2 34.523 18.430 -3.868 1.00 0.00 H new ATOM 0 HG3 MET C 2 33.544 17.296 -4.778 1.00 0.00 H new ATOM 0 HE1 MET C 2 34.690 19.843 -7.542 1.00 0.00 H new ATOM 0 HE2 MET C 2 35.629 19.277 -6.139 1.00 0.00 H new ATOM 0 HE3 MET C 2 34.616 18.133 -7.053 1.00 0.00 H new ATOM 651 N ALA C 3 30.741 17.207 -5.964 1.00 0.00 N ATOM 652 CA ALA C 3 30.570 16.136 -6.946 1.00 0.00 C ATOM 653 C ALA C 3 29.259 15.382 -6.726 1.00 0.00 C ATOM 654 O ALA C 3 28.261 15.674 -7.388 1.00 0.00 O ATOM 655 CB ALA C 3 31.762 15.185 -6.938 1.00 0.00 C ATOM 0 H ALA C 3 30.715 18.141 -6.373 1.00 0.00 H new ATOM 0 HA ALA C 3 30.521 16.599 -7.932 1.00 0.00 H new ATOM 0 HB1 ALA C 3 31.606 14.400 -7.678 1.00 0.00 H new ATOM 0 HB2 ALA C 3 32.670 15.737 -7.181 1.00 0.00 H new ATOM 0 HB3 ALA C 3 31.863 14.737 -5.950 1.00 0.00 H new ATOM 661 N HIS C 4 29.269 14.431 -5.792 1.00 0.00 N ATOM 662 CA HIS C 4 28.093 13.621 -5.473 1.00 0.00 C ATOM 663 C HIS C 4 27.570 12.921 -6.725 1.00 0.00 C ATOM 664 O HIS C 4 26.588 13.348 -7.336 1.00 0.00 O ATOM 665 CB HIS C 4 26.996 14.482 -4.832 1.00 0.00 C ATOM 666 CG HIS C 4 25.837 13.690 -4.309 1.00 0.00 C ATOM 667 ND1 HIS C 4 24.529 13.964 -4.635 1.00 0.00 N ATOM 668 CD2 HIS C 4 25.799 12.631 -3.467 1.00 0.00 C ATOM 669 CE1 HIS C 4 23.736 13.110 -4.017 1.00 0.00 C ATOM 670 NE2 HIS C 4 24.481 12.290 -3.302 1.00 0.00 N ATOM 0 H HIS C 4 30.092 14.200 -5.235 1.00 0.00 H new ATOM 0 HA HIS C 4 28.388 12.859 -4.752 1.00 0.00 H new ATOM 0 HB2 HIS C 4 27.430 15.058 -4.014 1.00 0.00 H new ATOM 0 HB3 HIS C 4 26.632 15.199 -5.568 1.00 0.00 H new ATOM 0 HD2 HIS C 4 26.648 12.145 -3.010 1.00 0.00 H new ATOM 0 HE1 HIS C 4 22.658 13.086 -4.085 1.00 0.00 H new ATOM 0 HE2 HIS C 4 24.134 11.527 -2.721 1.00 0.00 H new ATOM 679 N HIS C 5 28.236 11.842 -7.097 1.00 0.00 N ATOM 680 CA HIS C 5 27.911 11.130 -8.322 1.00 0.00 C ATOM 681 C HIS C 5 26.742 10.183 -8.092 1.00 0.00 C ATOM 682 O HIS C 5 26.691 9.480 -7.086 1.00 0.00 O ATOM 683 CB HIS C 5 29.127 10.352 -8.831 1.00 0.00 C ATOM 684 CG HIS C 5 30.328 11.211 -9.092 1.00 0.00 C ATOM 685 ND1 HIS C 5 30.432 12.050 -10.179 1.00 0.00 N ATOM 686 CD2 HIS C 5 31.478 11.361 -8.395 1.00 0.00 C ATOM 687 CE1 HIS C 5 31.594 12.673 -10.141 1.00 0.00 C ATOM 688 NE2 HIS C 5 32.247 12.274 -9.069 1.00 0.00 N ATOM 0 H HIS C 5 29.008 11.438 -6.567 1.00 0.00 H new ATOM 0 HA HIS C 5 27.626 11.862 -9.077 1.00 0.00 H new ATOM 0 HB2 HIS C 5 29.390 9.588 -8.100 1.00 0.00 H new ATOM 0 HB3 HIS C 5 28.856 9.833 -9.750 1.00 0.00 H new ATOM 0 HD2 HIS C 5 31.741 10.855 -7.478 1.00 0.00 H new ATOM 0 HE1 HIS C 5 31.950 13.389 -10.867 1.00 0.00 H new ATOM 0 HE2 HIS C 5 33.174 12.592 -8.786 1.00 0.00 H new ATOM 697 N HIS C 6 25.814 10.157 -9.036 1.00 0.00 N ATOM 698 CA HIS C 6 24.604 9.351 -8.900 1.00 0.00 C ATOM 699 C HIS C 6 24.784 7.966 -9.507 1.00 0.00 C ATOM 700 O HIS C 6 23.820 7.338 -9.944 1.00 0.00 O ATOM 701 CB HIS C 6 23.409 10.056 -9.543 1.00 0.00 C ATOM 702 CG HIS C 6 22.844 11.164 -8.713 1.00 0.00 C ATOM 703 ND1 HIS C 6 21.651 11.057 -8.034 1.00 0.00 N ATOM 704 CD2 HIS C 6 23.307 12.409 -8.461 1.00 0.00 C ATOM 705 CE1 HIS C 6 21.404 12.188 -7.403 1.00 0.00 C ATOM 706 NE2 HIS C 6 22.393 13.027 -7.643 1.00 0.00 N ATOM 0 H HIS C 6 25.873 10.685 -9.907 1.00 0.00 H new ATOM 0 HA HIS C 6 24.411 9.230 -7.834 1.00 0.00 H new ATOM 0 HB2 HIS C 6 23.713 10.457 -10.510 1.00 0.00 H new ATOM 0 HB3 HIS C 6 22.626 9.322 -9.734 1.00 0.00 H new ATOM 0 HD2 HIS C 6 24.225 12.838 -8.834 1.00 0.00 H new ATOM 0 HE1 HIS C 6 20.537 12.393 -6.792 1.00 0.00 H new ATOM 0 HE2 HIS C 6 22.467 13.978 -7.281 1.00 0.00 H new ATOM 715 N HIS C 7 26.019 7.495 -9.535 1.00 0.00 N ATOM 716 CA HIS C 7 26.305 6.143 -9.985 1.00 0.00 C ATOM 717 C HIS C 7 27.436 5.553 -9.158 1.00 0.00 C ATOM 718 O HIS C 7 28.561 6.051 -9.171 1.00 0.00 O ATOM 719 CB HIS C 7 26.619 6.095 -11.494 1.00 0.00 C ATOM 720 CG HIS C 7 27.778 6.938 -11.941 1.00 0.00 C ATOM 721 ND1 HIS C 7 27.648 8.254 -12.329 1.00 0.00 N ATOM 722 CD2 HIS C 7 29.090 6.635 -12.091 1.00 0.00 C ATOM 723 CE1 HIS C 7 28.826 8.721 -12.696 1.00 0.00 C ATOM 724 NE2 HIS C 7 29.718 7.760 -12.560 1.00 0.00 N ATOM 0 H HIS C 7 26.840 8.029 -9.251 1.00 0.00 H new ATOM 0 HA HIS C 7 25.412 5.535 -9.836 1.00 0.00 H new ATOM 0 HB2 HIS C 7 26.816 5.060 -11.773 1.00 0.00 H new ATOM 0 HB3 HIS C 7 25.731 6.410 -12.042 1.00 0.00 H new ATOM 0 HD2 HIS C 7 29.555 5.683 -11.880 1.00 0.00 H new ATOM 0 HE1 HIS C 7 29.026 9.722 -13.049 1.00 0.00 H new ATOM 0 HE2 HIS C 7 30.713 7.840 -12.769 1.00 0.00 H new ATOM 733 N HIS C 8 27.113 4.523 -8.398 1.00 0.00 N ATOM 734 CA HIS C 8 28.084 3.873 -7.531 1.00 0.00 C ATOM 735 C HIS C 8 28.177 2.395 -7.880 1.00 0.00 C ATOM 736 O HIS C 8 27.557 1.943 -8.841 1.00 0.00 O ATOM 737 CB HIS C 8 27.685 4.034 -6.057 1.00 0.00 C ATOM 738 CG HIS C 8 27.596 5.458 -5.593 1.00 0.00 C ATOM 739 ND1 HIS C 8 26.434 6.018 -5.108 1.00 0.00 N ATOM 740 CD2 HIS C 8 28.534 6.433 -5.526 1.00 0.00 C ATOM 741 CE1 HIS C 8 26.659 7.272 -4.768 1.00 0.00 C ATOM 742 NE2 HIS C 8 27.925 7.550 -5.012 1.00 0.00 N ATOM 0 H HIS C 8 26.179 4.115 -8.362 1.00 0.00 H new ATOM 0 HA HIS C 8 29.055 4.344 -7.682 1.00 0.00 H new ATOM 0 HB2 HIS C 8 26.720 3.552 -5.899 1.00 0.00 H new ATOM 0 HB3 HIS C 8 28.410 3.507 -5.437 1.00 0.00 H new ATOM 0 HD2 HIS C 8 29.569 6.347 -5.822 1.00 0.00 H new ATOM 0 HE1 HIS C 8 25.930 7.956 -4.359 1.00 0.00 H new ATOM 0 HE2 HIS C 8 28.378 8.449 -4.846 1.00 0.00 H new ATOM 751 N HIS C 9 28.949 1.646 -7.101 1.00 0.00 N ATOM 752 CA HIS C 9 29.060 0.206 -7.298 1.00 0.00 C ATOM 753 C HIS C 9 27.788 -0.480 -6.823 1.00 0.00 C ATOM 754 O HIS C 9 27.644 -0.799 -5.640 1.00 0.00 O ATOM 755 CB HIS C 9 30.275 -0.359 -6.555 1.00 0.00 C ATOM 756 CG HIS C 9 31.582 -0.050 -7.215 1.00 0.00 C ATOM 757 ND1 HIS C 9 32.287 -0.978 -7.947 1.00 0.00 N ATOM 758 CD2 HIS C 9 32.316 1.087 -7.248 1.00 0.00 C ATOM 759 CE1 HIS C 9 33.396 -0.428 -8.400 1.00 0.00 C ATOM 760 NE2 HIS C 9 33.438 0.826 -7.993 1.00 0.00 N ATOM 0 H HIS C 9 29.506 2.011 -6.329 1.00 0.00 H new ATOM 0 HA HIS C 9 29.196 0.014 -8.362 1.00 0.00 H new ATOM 0 HB2 HIS C 9 30.287 0.040 -5.541 1.00 0.00 H new ATOM 0 HB3 HIS C 9 30.167 -1.440 -6.471 1.00 0.00 H new ATOM 0 HD2 HIS C 9 32.065 2.025 -6.776 1.00 0.00 H new ATOM 0 HE1 HIS C 9 34.144 -0.921 -9.003 1.00 0.00 H new ATOM 0 HE2 HIS C 9 34.182 1.492 -8.198 1.00 0.00 H new ATOM 769 N VAL C 10 26.865 -0.689 -7.745 1.00 0.00 N ATOM 770 CA VAL C 10 25.557 -1.224 -7.410 1.00 0.00 C ATOM 771 C VAL C 10 25.381 -2.648 -7.923 1.00 0.00 C ATOM 772 O VAL C 10 26.165 -3.133 -8.741 1.00 0.00 O ATOM 773 CB VAL C 10 24.427 -0.334 -7.972 1.00 0.00 C ATOM 774 CG1 VAL C 10 24.423 1.023 -7.286 1.00 0.00 C ATOM 775 CG2 VAL C 10 24.568 -0.169 -9.479 1.00 0.00 C ATOM 0 H VAL C 10 26.998 -0.495 -8.737 1.00 0.00 H new ATOM 0 HA VAL C 10 25.495 -1.236 -6.322 1.00 0.00 H new ATOM 0 HB VAL C 10 23.475 -0.826 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL C 10 23.620 1.635 -7.696 1.00 0.00 H new ATOM 0 HG12 VAL C 10 24.267 0.889 -6.216 1.00 0.00 H new ATOM 0 HG13 VAL C 10 25.379 1.519 -7.454 1.00 0.00 H new ATOM 0 HG21 VAL C 10 23.761 0.462 -9.853 1.00 0.00 H new ATOM 0 HG22 VAL C 10 25.527 0.296 -9.706 1.00 0.00 H new ATOM 0 HG23 VAL C 10 24.516 -1.147 -9.958 1.00 0.00 H new ATOM 785 N ASP C 11 24.341 -3.304 -7.429 1.00 0.00 N ATOM 786 CA ASP C 11 24.021 -4.671 -7.807 1.00 0.00 C ATOM 787 C ASP C 11 22.510 -4.841 -7.789 1.00 0.00 C ATOM 788 O ASP C 11 21.943 -5.476 -6.898 1.00 0.00 O ATOM 789 CB ASP C 11 24.688 -5.666 -6.852 1.00 0.00 C ATOM 790 CG ASP C 11 24.482 -7.111 -7.267 1.00 0.00 C ATOM 791 OD1 ASP C 11 25.204 -7.586 -8.169 1.00 0.00 O ATOM 792 OD2 ASP C 11 23.616 -7.790 -6.677 1.00 0.00 O ATOM 0 H ASP C 11 23.693 -2.901 -6.752 1.00 0.00 H new ATOM 0 HA ASP C 11 24.400 -4.871 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP C 11 25.756 -5.456 -6.804 1.00 0.00 H new ATOM 0 HB3 ASP C 11 24.289 -5.521 -5.848 1.00 0.00 H new ATOM 797 N ASP C 12 21.859 -4.232 -8.763 1.00 0.00 N ATOM 798 CA ASP C 12 20.402 -4.214 -8.826 1.00 0.00 C ATOM 799 C ASP C 12 19.847 -5.517 -9.386 1.00 0.00 C ATOM 800 O ASP C 12 19.215 -5.535 -10.442 1.00 0.00 O ATOM 801 CB ASP C 12 19.916 -3.033 -9.668 1.00 0.00 C ATOM 802 CG ASP C 12 20.361 -1.699 -9.109 1.00 0.00 C ATOM 803 OD1 ASP C 12 19.890 -1.313 -8.018 1.00 0.00 O ATOM 804 OD2 ASP C 12 21.187 -1.027 -9.760 1.00 0.00 O ATOM 0 H ASP C 12 22.317 -3.738 -9.529 1.00 0.00 H new ATOM 0 HA ASP C 12 20.033 -4.102 -7.807 1.00 0.00 H new ATOM 0 HB2 ASP C 12 20.290 -3.139 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP C 12 18.828 -3.055 -9.724 1.00 0.00 H new ATOM 809 N ASP C 13 20.096 -6.607 -8.678 1.00 0.00 N ATOM 810 CA ASP C 13 19.548 -7.903 -9.051 1.00 0.00 C ATOM 811 C ASP C 13 18.323 -8.215 -8.203 1.00 0.00 C ATOM 812 O ASP C 13 17.260 -8.555 -8.722 1.00 0.00 O ATOM 813 CB ASP C 13 20.601 -8.998 -8.889 1.00 0.00 C ATOM 814 CG ASP C 13 20.075 -10.365 -9.271 1.00 0.00 C ATOM 815 OD1 ASP C 13 19.777 -10.575 -10.466 1.00 0.00 O ATOM 816 OD2 ASP C 13 19.975 -11.239 -8.385 1.00 0.00 O ATOM 0 H ASP C 13 20.676 -6.621 -7.839 1.00 0.00 H new ATOM 0 HA ASP C 13 19.251 -7.867 -10.099 1.00 0.00 H new ATOM 0 HB2 ASP C 13 21.467 -8.759 -9.506 1.00 0.00 H new ATOM 0 HB3 ASP C 13 20.943 -9.019 -7.854 1.00 0.00 H new ATOM 821 N ASP C 14 18.485 -8.115 -6.891 1.00 0.00 N ATOM 822 CA ASP C 14 17.367 -8.194 -5.973 1.00 0.00 C ATOM 823 C ASP C 14 16.873 -6.797 -5.664 1.00 0.00 C ATOM 824 O ASP C 14 15.680 -6.570 -5.446 1.00 0.00 O ATOM 825 CB ASP C 14 17.797 -8.887 -4.689 1.00 0.00 C ATOM 826 CG ASP C 14 17.845 -10.392 -4.825 1.00 0.00 C ATOM 827 OD1 ASP C 14 16.781 -11.008 -5.044 1.00 0.00 O ATOM 828 OD2 ASP C 14 18.944 -10.971 -4.706 1.00 0.00 O ATOM 0 H ASP C 14 19.389 -7.978 -6.440 1.00 0.00 H new ATOM 0 HA ASP C 14 16.563 -8.770 -6.431 1.00 0.00 H new ATOM 0 HB2 ASP C 14 18.781 -8.521 -4.396 1.00 0.00 H new ATOM 0 HB3 ASP C 14 17.107 -8.621 -3.889 1.00 0.00 H new ATOM 833 N LYS C 15 17.817 -5.867 -5.633 1.00 0.00 N ATOM 834 CA LYS C 15 17.519 -4.468 -5.431 1.00 0.00 C ATOM 835 C LYS C 15 16.819 -3.870 -6.648 1.00 0.00 C ATOM 836 O LYS C 15 16.640 -4.546 -7.663 1.00 0.00 O ATOM 837 CB LYS C 15 18.802 -3.714 -5.143 1.00 0.00 C ATOM 838 CG LYS C 15 19.545 -4.316 -3.982 1.00 0.00 C ATOM 839 CD LYS C 15 20.924 -3.708 -3.813 1.00 0.00 C ATOM 840 CE LYS C 15 21.706 -4.377 -2.695 1.00 0.00 C ATOM 841 NZ LYS C 15 21.048 -4.212 -1.374 1.00 0.00 N ATOM 0 H LYS C 15 18.810 -6.068 -5.748 1.00 0.00 H new ATOM 0 HA LYS C 15 16.843 -4.378 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS C 15 19.438 -3.724 -6.028 1.00 0.00 H new ATOM 0 HB3 LYS C 15 18.572 -2.671 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS C 15 18.970 -4.169 -3.068 1.00 0.00 H new ATOM 0 HG3 LYS C 15 19.639 -5.392 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS C 15 21.478 -3.799 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS C 15 20.828 -2.643 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS C 15 21.815 -5.439 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS C 15 22.710 -3.956 -2.654 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 21.682 -3.695 -0.732 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 20.164 -3.678 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 20.837 -5.148 -0.972 1.00 0.00 H new ATOM 855 N MET C 16 16.444 -2.599 -6.531 1.00 0.00 N ATOM 856 CA MET C 16 15.798 -1.859 -7.613 1.00 0.00 C ATOM 857 C MET C 16 14.455 -2.470 -7.989 1.00 0.00 C ATOM 858 O MET C 16 14.376 -3.401 -8.792 1.00 0.00 O ATOM 859 CB MET C 16 16.705 -1.783 -8.844 1.00 0.00 C ATOM 860 CG MET C 16 16.163 -0.888 -9.948 1.00 0.00 C ATOM 861 SD MET C 16 15.897 0.812 -9.403 1.00 0.00 S ATOM 862 CE MET C 16 17.536 1.251 -8.827 1.00 0.00 C ATOM 0 H MET C 16 16.580 -2.051 -5.681 1.00 0.00 H new ATOM 0 HA MET C 16 15.618 -0.848 -7.247 1.00 0.00 H new ATOM 0 HB2 MET C 16 17.686 -1.417 -8.540 1.00 0.00 H new ATOM 0 HB3 MET C 16 16.849 -2.788 -9.241 1.00 0.00 H new ATOM 0 HG2 MET C 16 16.859 -0.891 -10.787 1.00 0.00 H new ATOM 0 HG3 MET C 16 15.222 -1.299 -10.313 1.00 0.00 H new ATOM 0 HE1 MET C 16 17.626 2.336 -8.779 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.698 0.829 -7.835 1.00 0.00 H new ATOM 0 HE3 MET C 16 18.282 0.855 -9.516 1.00 0.00 H new ATOM 872 N LEU C 17 13.398 -1.934 -7.410 1.00 0.00 N ATOM 873 CA LEU C 17 12.057 -2.369 -7.737 1.00 0.00 C ATOM 874 C LEU C 17 11.427 -1.364 -8.658 1.00 0.00 C ATOM 875 O LEU C 17 11.648 -0.159 -8.536 1.00 0.00 O ATOM 876 CB LEU C 17 11.146 -2.484 -6.536 1.00 0.00 C ATOM 877 CG LEU C 17 11.383 -3.602 -5.504 1.00 0.00 C ATOM 878 CD1 LEU C 17 12.755 -4.225 -5.589 1.00 0.00 C ATOM 879 CD2 LEU C 17 11.084 -3.093 -4.110 1.00 0.00 C ATOM 0 H LEU C 17 13.444 -1.195 -6.709 1.00 0.00 H new ATOM 0 HA LEU C 17 12.163 -3.356 -8.187 1.00 0.00 H new ATOM 0 HB2 LEU C 17 11.188 -1.534 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.128 -2.595 -6.909 1.00 0.00 H new ATOM 0 HG LEU C 17 10.691 -4.408 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU C 17 12.849 -5.004 -4.832 1.00 0.00 H new ATOM 0 HD12 LEU C 17 12.896 -4.661 -6.578 1.00 0.00 H new ATOM 0 HD13 LEU C 17 13.513 -3.460 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU C 17 11.254 -3.891 -3.387 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.738 -2.251 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU C 17 10.044 -2.770 -4.056 1.00 0.00 H new ATOM 891 N GLU C 18 10.618 -1.858 -9.539 1.00 0.00 N ATOM 892 CA GLU C 18 9.787 -1.006 -10.349 1.00 0.00 C ATOM 893 C GLU C 18 8.441 -0.983 -9.696 1.00 0.00 C ATOM 894 O GLU C 18 7.604 -1.858 -9.908 1.00 0.00 O ATOM 895 CB GLU C 18 9.695 -1.475 -11.778 1.00 0.00 C ATOM 896 CG GLU C 18 8.987 -0.490 -12.697 1.00 0.00 C ATOM 897 CD GLU C 18 8.900 -0.967 -14.131 1.00 0.00 C ATOM 898 OE1 GLU C 18 8.034 -1.809 -14.434 1.00 0.00 O ATOM 899 OE2 GLU C 18 9.692 -0.491 -14.968 1.00 0.00 O ATOM 0 H GLU C 18 10.510 -2.856 -9.722 1.00 0.00 H new ATOM 0 HA GLU C 18 10.219 -0.007 -10.406 1.00 0.00 H new ATOM 0 HB2 GLU C 18 10.701 -1.656 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU C 18 9.168 -2.429 -11.806 1.00 0.00 H new ATOM 0 HG2 GLU C 18 7.980 -0.310 -12.319 1.00 0.00 H new ATOM 0 HG3 GLU C 18 9.513 0.464 -12.670 1.00 0.00 H new ATOM 906 N VAL C 19 8.273 -0.012 -8.840 1.00 0.00 N ATOM 907 CA VAL C 19 7.129 0.039 -7.988 1.00 0.00 C ATOM 908 C VAL C 19 5.920 0.510 -8.768 1.00 0.00 C ATOM 909 O VAL C 19 5.753 1.690 -9.031 1.00 0.00 O ATOM 910 CB VAL C 19 7.426 0.943 -6.779 1.00 0.00 C ATOM 911 CG1 VAL C 19 6.154 1.472 -6.141 1.00 0.00 C ATOM 912 CG2 VAL C 19 8.219 0.180 -5.744 1.00 0.00 C ATOM 0 H VAL C 19 8.927 0.762 -8.718 1.00 0.00 H new ATOM 0 HA VAL C 19 6.903 -0.958 -7.611 1.00 0.00 H new ATOM 0 HB VAL C 19 8.004 1.792 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL C 19 6.409 2.105 -5.291 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.595 2.055 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL C 19 5.543 0.636 -5.800 1.00 0.00 H new ATOM 0 HG21 VAL C 19 8.424 0.828 -4.892 1.00 0.00 H new ATOM 0 HG22 VAL C 19 7.646 -0.685 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL C 19 9.160 -0.154 -6.181 1.00 0.00 H new ATOM 922 N LEU C 20 5.110 -0.430 -9.190 1.00 0.00 N ATOM 923 CA LEU C 20 3.892 -0.093 -9.895 1.00 0.00 C ATOM 924 C LEU C 20 2.811 0.130 -8.850 1.00 0.00 C ATOM 925 O LEU C 20 2.695 -0.650 -7.916 1.00 0.00 O ATOM 926 CB LEU C 20 3.469 -1.211 -10.863 1.00 0.00 C ATOM 927 CG LEU C 20 4.577 -2.086 -11.458 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.974 -3.140 -12.374 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.587 -1.257 -12.222 1.00 0.00 C ATOM 0 H LEU C 20 5.268 -1.429 -9.060 1.00 0.00 H new ATOM 0 HA LEU C 20 4.051 0.803 -10.496 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.770 -1.863 -10.339 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.922 -0.753 -11.687 1.00 0.00 H new ATOM 0 HG LEU C 20 5.096 -2.575 -10.633 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.769 -3.757 -12.792 1.00 0.00 H new ATOM 0 HD12 LEU C 20 3.289 -3.768 -11.804 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.431 -2.651 -13.183 1.00 0.00 H new ATOM 0 HD21 LEU C 20 6.359 -1.909 -12.631 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.086 -0.733 -13.036 1.00 0.00 H new ATOM 0 HD23 LEU C 20 6.044 -0.531 -11.550 1.00 0.00 H new ATOM 941 N VAL C 21 2.058 1.207 -8.970 1.00 0.00 N ATOM 942 CA VAL C 21 1.090 1.592 -7.945 1.00 0.00 C ATOM 943 C VAL C 21 -0.149 2.226 -8.593 1.00 0.00 C ATOM 944 O VAL C 21 -0.056 3.235 -9.294 1.00 0.00 O ATOM 945 CB VAL C 21 1.741 2.596 -6.963 1.00 0.00 C ATOM 946 CG1 VAL C 21 0.754 3.122 -5.947 1.00 0.00 C ATOM 947 CG2 VAL C 21 2.915 1.956 -6.254 1.00 0.00 C ATOM 0 H VAL C 21 2.094 1.838 -9.770 1.00 0.00 H new ATOM 0 HA VAL C 21 0.782 0.701 -7.399 1.00 0.00 H new ATOM 0 HB VAL C 21 2.090 3.442 -7.555 1.00 0.00 H new ATOM 0 HG11 VAL C 21 1.257 3.822 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL C 21 -0.061 3.632 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL C 21 0.353 2.292 -5.366 1.00 0.00 H new ATOM 0 HG21 VAL C 21 3.361 2.675 -5.567 1.00 0.00 H new ATOM 0 HG22 VAL C 21 2.572 1.085 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL C 21 3.658 1.646 -6.988 1.00 0.00 H new ATOM 957 N LYS C 22 -1.295 1.612 -8.361 1.00 0.00 N ATOM 958 CA LYS C 22 -2.566 2.065 -8.902 1.00 0.00 C ATOM 959 C LYS C 22 -3.225 2.996 -7.901 1.00 0.00 C ATOM 960 O LYS C 22 -3.108 2.782 -6.702 1.00 0.00 O ATOM 961 CB LYS C 22 -3.479 0.859 -9.161 1.00 0.00 C ATOM 962 CG LYS C 22 -2.847 -0.213 -10.040 1.00 0.00 C ATOM 963 CD LYS C 22 -3.749 -1.427 -10.202 1.00 0.00 C ATOM 964 CE LYS C 22 -4.807 -1.209 -11.267 1.00 0.00 C ATOM 965 NZ LYS C 22 -5.705 -2.382 -11.394 1.00 0.00 N ATOM 0 H LYS C 22 -1.371 0.774 -7.784 1.00 0.00 H new ATOM 0 HA LYS C 22 -2.397 2.592 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -3.758 0.414 -8.206 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -4.399 1.206 -9.632 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.626 0.207 -11.021 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -1.897 -0.524 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -3.145 -2.296 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -4.232 -1.649 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -5.395 -0.325 -11.020 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -4.325 -1.014 -12.225 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.415 -2.197 -12.131 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -5.147 -3.220 -11.654 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -6.184 -2.552 -10.487 1.00 0.00 H new ATOM 979 N THR C 23 -3.914 4.018 -8.369 1.00 0.00 N ATOM 980 CA THR C 23 -4.552 4.953 -7.457 1.00 0.00 C ATOM 981 C THR C 23 -6.058 5.016 -7.642 1.00 0.00 C ATOM 982 O THR C 23 -6.549 5.465 -8.681 1.00 0.00 O ATOM 983 CB THR C 23 -3.988 6.370 -7.587 1.00 0.00 C ATOM 984 OG1 THR C 23 -3.917 6.765 -8.965 1.00 0.00 O ATOM 985 CG2 THR C 23 -2.619 6.470 -6.946 1.00 0.00 C ATOM 0 H THR C 23 -4.047 4.223 -9.359 1.00 0.00 H new ATOM 0 HA THR C 23 -4.332 4.566 -6.462 1.00 0.00 H new ATOM 0 HB THR C 23 -4.664 7.046 -7.064 1.00 0.00 H new ATOM 0 HG1 THR C 23 -4.727 6.472 -9.432 1.00 0.00 H new ATOM 0 HG21 THR C 23 -2.241 7.487 -7.052 1.00 0.00 H new ATOM 0 HG22 THR C 23 -2.694 6.219 -5.888 1.00 0.00 H new ATOM 0 HG23 THR C 23 -1.936 5.776 -7.436 1.00 0.00 H new ATOM 993 N LEU C 24 -6.766 4.570 -6.604 1.00 0.00 N ATOM 994 CA LEU C 24 -8.237 4.590 -6.526 1.00 0.00 C ATOM 995 C LEU C 24 -8.934 3.735 -7.590 1.00 0.00 C ATOM 996 O LEU C 24 -9.819 2.944 -7.259 1.00 0.00 O ATOM 997 CB LEU C 24 -8.760 6.012 -6.609 1.00 0.00 C ATOM 998 CG LEU C 24 -9.486 6.512 -5.353 1.00 0.00 C ATOM 999 CD1 LEU C 24 -10.640 5.585 -5.001 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -8.522 6.626 -4.182 1.00 0.00 C ATOM 0 H LEU C 24 -6.328 4.175 -5.772 1.00 0.00 H new ATOM 0 HA LEU C 24 -8.477 4.149 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -7.923 6.679 -6.816 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -9.442 6.083 -7.457 1.00 0.00 H new ATOM 0 HG LEU C 24 -9.888 7.503 -5.564 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -11.144 5.954 -4.108 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -11.347 5.553 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -10.257 4.582 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -9.058 6.982 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -8.088 5.648 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -7.728 7.329 -4.432 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.516 3.884 -8.839 1.00 0.00 N ATOM 1013 CA ASP C 25 -9.140 3.219 -9.982 1.00 0.00 C ATOM 1014 C ASP C 25 -8.627 3.841 -11.275 1.00 0.00 C ATOM 1015 O ASP C 25 -8.570 3.189 -12.319 1.00 0.00 O ATOM 1016 CB ASP C 25 -10.667 3.360 -9.924 1.00 0.00 C ATOM 1017 CG ASP C 25 -11.359 2.748 -11.119 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -11.401 1.503 -11.214 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -11.872 3.505 -11.968 1.00 0.00 O ATOM 0 H ASP C 25 -7.725 4.476 -9.094 1.00 0.00 H new ATOM 0 HA ASP C 25 -8.883 2.160 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -11.036 2.886 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -10.927 4.417 -9.861 1.00 0.00 H new ATOM 1024 N SER C 26 -8.239 5.108 -11.174 1.00 0.00 N ATOM 1025 CA SER C 26 -7.845 5.910 -12.321 1.00 0.00 C ATOM 1026 C SER C 26 -6.677 5.310 -13.103 1.00 0.00 C ATOM 1027 O SER C 26 -6.860 4.791 -14.204 1.00 0.00 O ATOM 1028 CB SER C 26 -7.492 7.321 -11.849 1.00 0.00 C ATOM 1029 OG SER C 26 -8.521 7.848 -11.024 1.00 0.00 O ATOM 0 H SER C 26 -8.190 5.608 -10.287 1.00 0.00 H new ATOM 0 HA SER C 26 -8.692 5.935 -13.006 1.00 0.00 H new ATOM 0 HB2 SER C 26 -6.552 7.301 -11.298 1.00 0.00 H new ATOM 0 HB3 SER C 26 -7.342 7.971 -12.711 1.00 0.00 H new ATOM 0 HG SER C 26 -8.275 8.750 -10.731 1.00 0.00 H new ATOM 1035 N GLN C 27 -5.489 5.375 -12.533 1.00 0.00 N ATOM 1036 CA GLN C 27 -4.281 5.043 -13.270 1.00 0.00 C ATOM 1037 C GLN C 27 -3.379 4.094 -12.496 1.00 0.00 C ATOM 1038 O GLN C 27 -3.692 3.663 -11.385 1.00 0.00 O ATOM 1039 CB GLN C 27 -3.487 6.314 -13.571 1.00 0.00 C ATOM 1040 CG GLN C 27 -4.243 7.368 -14.359 1.00 0.00 C ATOM 1041 CD GLN C 27 -3.453 8.638 -14.500 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -2.628 8.973 -13.649 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -3.713 9.365 -15.559 1.00 0.00 N ATOM 0 H GLN C 27 -5.333 5.654 -11.564 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.597 4.553 -14.191 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -3.159 6.752 -12.628 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.589 6.041 -14.125 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -4.483 6.978 -15.348 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -5.189 7.583 -13.863 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -4.405 9.048 -16.238 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -3.224 10.248 -15.704 1.00 0.00 H new ATOM 1052 N THR C 28 -2.248 3.810 -13.117 1.00 0.00 N ATOM 1053 CA THR C 28 -1.175 3.035 -12.531 1.00 0.00 C ATOM 1054 C THR C 28 0.141 3.747 -12.790 1.00 0.00 C ATOM 1055 O THR C 28 0.543 3.931 -13.944 1.00 0.00 O ATOM 1056 CB THR C 28 -1.086 1.611 -13.115 1.00 0.00 C ATOM 1057 OG1 THR C 28 -2.198 0.825 -12.683 1.00 0.00 O ATOM 1058 CG2 THR C 28 0.225 0.956 -12.703 1.00 0.00 C ATOM 0 H THR C 28 -2.048 4.121 -14.067 1.00 0.00 H new ATOM 0 HA THR C 28 -1.380 2.945 -11.464 1.00 0.00 H new ATOM 0 HB THR C 28 -1.115 1.676 -14.203 1.00 0.00 H new ATOM 0 HG1 THR C 28 -2.927 1.416 -12.402 1.00 0.00 H new ATOM 0 HG21 THR C 28 0.277 -0.049 -13.121 1.00 0.00 H new ATOM 0 HG22 THR C 28 1.061 1.548 -13.077 1.00 0.00 H new ATOM 0 HG23 THR C 28 0.278 0.900 -11.616 1.00 0.00 H new ATOM 1066 N ARG C 29 0.804 4.160 -11.729 1.00 0.00 N ATOM 1067 CA ARG C 29 2.055 4.876 -11.867 1.00 0.00 C ATOM 1068 C ARG C 29 3.175 4.145 -11.162 1.00 0.00 C ATOM 1069 O ARG C 29 2.951 3.443 -10.183 1.00 0.00 O ATOM 1070 CB ARG C 29 1.939 6.287 -11.314 1.00 0.00 C ATOM 1071 CG ARG C 29 0.784 7.072 -11.881 1.00 0.00 C ATOM 1072 CD ARG C 29 0.697 8.452 -11.263 1.00 0.00 C ATOM 1073 NE ARG C 29 -0.372 9.248 -11.854 1.00 0.00 N ATOM 1074 CZ ARG C 29 -0.416 10.576 -11.811 1.00 0.00 C ATOM 1075 NH1 ARG C 29 0.564 11.259 -11.235 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -1.434 11.218 -12.369 1.00 0.00 N ATOM 0 H ARG C 29 0.499 4.013 -10.767 1.00 0.00 H new ATOM 0 HA ARG C 29 2.284 4.933 -12.931 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.833 6.234 -10.230 1.00 0.00 H new ATOM 0 HB3 ARG C 29 2.865 6.824 -11.518 1.00 0.00 H new ATOM 0 HG2 ARG C 29 0.899 7.162 -12.961 1.00 0.00 H new ATOM 0 HG3 ARG C 29 -0.146 6.533 -11.703 1.00 0.00 H new ATOM 0 HD2 ARG C 29 0.529 8.359 -10.190 1.00 0.00 H new ATOM 0 HD3 ARG C 29 1.648 8.968 -11.393 1.00 0.00 H new ATOM 0 HE ARG C 29 -1.130 8.757 -12.328 1.00 0.00 H new ATOM 0 HH11 ARG C 29 1.356 10.765 -10.823 1.00 0.00 H new ATOM 0 HH12 ARG C 29 0.526 12.278 -11.204 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -2.178 10.693 -12.828 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -1.473 12.237 -12.339 1.00 0.00 H new ATOM 1090 N THR C 30 4.377 4.301 -11.676 1.00 0.00 N ATOM 1091 CA THR C 30 5.518 3.643 -11.158 1.00 0.00 C ATOM 1092 C THR C 30 6.345 4.549 -10.251 1.00 0.00 C ATOM 1093 O THR C 30 6.468 5.750 -10.495 1.00 0.00 O ATOM 1094 CB THR C 30 6.356 3.181 -12.327 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.424 4.207 -13.329 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.793 1.912 -12.919 1.00 0.00 C ATOM 0 H THR C 30 4.573 4.901 -12.477 1.00 0.00 H new ATOM 0 HA THR C 30 5.193 2.800 -10.548 1.00 0.00 H new ATOM 0 HB THR C 30 7.363 2.975 -11.965 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.971 3.895 -14.080 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.412 1.597 -13.759 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.785 1.129 -12.161 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.775 2.092 -13.265 1.00 0.00 H new ATOM 1104 N PHE C 31 6.920 3.950 -9.221 1.00 0.00 N ATOM 1105 CA PHE C 31 7.700 4.669 -8.224 1.00 0.00 C ATOM 1106 C PHE C 31 8.995 3.949 -7.982 1.00 0.00 C ATOM 1107 O PHE C 31 9.278 3.489 -6.877 1.00 0.00 O ATOM 1108 CB PHE C 31 6.939 4.767 -6.920 1.00 0.00 C ATOM 1109 CG PHE C 31 5.674 5.508 -7.048 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.705 6.761 -7.592 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.481 4.982 -6.597 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.554 7.505 -7.702 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.317 5.706 -6.706 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.349 6.976 -7.260 1.00 0.00 C ATOM 0 H PHE C 31 6.859 2.946 -9.051 1.00 0.00 H new ATOM 0 HA PHE C 31 7.895 5.674 -8.598 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.730 3.763 -6.551 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.567 5.256 -6.175 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.642 7.171 -7.939 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.461 3.996 -6.156 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.587 8.496 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.383 5.287 -6.362 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.440 7.552 -7.348 1.00 0.00 H new ATOM 1124 N ILE C 32 9.751 3.831 -9.033 1.00 0.00 N ATOM 1125 CA ILE C 32 10.957 3.054 -9.017 1.00 0.00 C ATOM 1126 C ILE C 32 11.957 3.487 -7.991 1.00 0.00 C ATOM 1127 O ILE C 32 12.470 4.608 -7.983 1.00 0.00 O ATOM 1128 CB ILE C 32 11.583 3.001 -10.386 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.665 2.234 -11.213 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.866 2.245 -10.354 1.00 0.00 C ATOM 1131 CD1 ILE C 32 9.920 2.999 -12.275 1.00 0.00 C ATOM 0 H ILE C 32 9.549 4.272 -9.930 1.00 0.00 H new ATOM 0 HA ILE C 32 10.650 2.051 -8.721 1.00 0.00 H new ATOM 0 HB ILE C 32 11.770 4.011 -10.751 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.228 1.436 -11.698 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.934 1.757 -10.560 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.299 2.220 -11.354 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.560 2.734 -9.670 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.680 1.226 -10.014 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.268 2.319 -12.824 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.319 3.779 -11.808 1.00 0.00 H new ATOM 0 HD13 ILE C 32 10.632 3.453 -12.963 1.00 0.00 H new ATOM 1143 N VAL C 33 12.204 2.540 -7.132 1.00 0.00 N ATOM 1144 CA VAL C 33 13.134 2.694 -6.028 1.00 0.00 C ATOM 1145 C VAL C 33 13.992 1.476 -5.821 1.00 0.00 C ATOM 1146 O VAL C 33 13.747 0.411 -6.368 1.00 0.00 O ATOM 1147 CB VAL C 33 12.405 3.016 -4.728 1.00 0.00 C ATOM 1148 CG1 VAL C 33 11.855 4.391 -4.868 1.00 0.00 C ATOM 1149 CG2 VAL C 33 11.293 2.017 -4.454 1.00 0.00 C ATOM 0 H VAL C 33 11.763 1.621 -7.171 1.00 0.00 H new ATOM 0 HA VAL C 33 13.782 3.527 -6.300 1.00 0.00 H new ATOM 0 HB VAL C 33 13.092 2.954 -3.884 1.00 0.00 H new ATOM 0 HG11 VAL C 33 11.323 4.664 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL C 33 12.671 5.094 -5.036 1.00 0.00 H new ATOM 0 HG13 VAL C 33 11.168 4.424 -5.713 1.00 0.00 H new ATOM 0 HG21 VAL C 33 10.794 2.275 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.571 2.043 -5.271 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.715 1.015 -4.375 1.00 0.00 H new ATOM 1159 N GLY C 34 14.970 1.650 -4.967 1.00 0.00 N ATOM 1160 CA GLY C 34 16.032 0.668 -4.821 1.00 0.00 C ATOM 1161 C GLY C 34 15.701 -0.468 -3.876 1.00 0.00 C ATOM 1162 O GLY C 34 16.498 -0.782 -2.996 1.00 0.00 O ATOM 0 H GLY C 34 15.059 2.463 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY C 34 16.266 0.254 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.931 1.172 -4.465 1.00 0.00 H new ATOM 1166 N ALA C 35 14.533 -1.089 -4.078 1.00 0.00 N ATOM 1167 CA ALA C 35 14.048 -2.224 -3.275 1.00 0.00 C ATOM 1168 C ALA C 35 13.766 -1.865 -1.832 1.00 0.00 C ATOM 1169 O ALA C 35 12.728 -2.178 -1.300 1.00 0.00 O ATOM 1170 CB ALA C 35 15.025 -3.384 -3.293 1.00 0.00 C ATOM 0 H ALA C 35 13.885 -0.814 -4.816 1.00 0.00 H new ATOM 0 HA ALA C 35 13.109 -2.514 -3.747 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.631 -4.201 -2.689 1.00 0.00 H new ATOM 0 HB2 ALA C 35 15.165 -3.726 -4.319 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.982 -3.060 -2.884 1.00 0.00 H new ATOM 1176 N GLN C 36 14.686 -1.201 -1.215 1.00 0.00 N ATOM 1177 CA GLN C 36 14.705 -1.071 0.215 1.00 0.00 C ATOM 1178 C GLN C 36 15.111 0.338 0.503 1.00 0.00 C ATOM 1179 O GLN C 36 15.681 0.675 1.537 1.00 0.00 O ATOM 1180 CB GLN C 36 15.681 -2.106 0.753 1.00 0.00 C ATOM 1181 CG GLN C 36 17.084 -1.923 0.262 1.00 0.00 C ATOM 1182 CD GLN C 36 17.875 -3.139 0.587 1.00 0.00 C ATOM 1183 OE1 GLN C 36 18.847 -3.477 -0.081 1.00 0.00 O ATOM 1184 NE2 GLN C 36 17.410 -3.832 1.601 1.00 0.00 N ATOM 0 H GLN C 36 15.455 -0.727 -1.688 1.00 0.00 H new ATOM 0 HA GLN C 36 13.744 -1.255 0.695 1.00 0.00 H new ATOM 0 HB2 GLN C 36 15.678 -2.063 1.842 1.00 0.00 H new ATOM 0 HB3 GLN C 36 15.334 -3.100 0.472 1.00 0.00 H new ATOM 0 HG2 GLN C 36 17.086 -1.749 -0.814 1.00 0.00 H new ATOM 0 HG3 GLN C 36 17.534 -1.046 0.727 1.00 0.00 H new ATOM 0 HE21 GLN C 36 16.597 -3.497 2.118 1.00 0.00 H new ATOM 0 HE22 GLN C 36 17.862 -4.705 1.872 1.00 0.00 H new ATOM 1193 N MET C 37 14.799 1.146 -0.490 1.00 0.00 N ATOM 1194 CA MET C 37 15.139 2.550 -0.502 1.00 0.00 C ATOM 1195 C MET C 37 14.515 3.274 0.686 1.00 0.00 C ATOM 1196 O MET C 37 15.210 3.661 1.625 1.00 0.00 O ATOM 1197 CB MET C 37 14.680 3.130 -1.814 1.00 0.00 C ATOM 1198 CG MET C 37 15.233 4.498 -2.131 1.00 0.00 C ATOM 1199 SD MET C 37 14.143 5.829 -1.587 1.00 0.00 S ATOM 1200 CE MET C 37 15.022 7.263 -2.205 1.00 0.00 C ATOM 0 H MET C 37 14.295 0.839 -1.322 1.00 0.00 H new ATOM 0 HA MET C 37 16.217 2.677 -0.407 1.00 0.00 H new ATOM 0 HB2 MET C 37 14.960 2.446 -2.615 1.00 0.00 H new ATOM 0 HB3 MET C 37 13.591 3.186 -1.809 1.00 0.00 H new ATOM 0 HG2 MET C 37 16.206 4.612 -1.654 1.00 0.00 H new ATOM 0 HG3 MET C 37 15.394 4.581 -3.206 1.00 0.00 H new ATOM 0 HE1 MET C 37 14.471 8.167 -1.946 1.00 0.00 H new ATOM 0 HE2 MET C 37 16.015 7.302 -1.756 1.00 0.00 H new ATOM 0 HE3 MET C 37 15.116 7.193 -3.289 1.00 0.00 H new ATOM 1210 N ASN C 38 13.203 3.440 0.656 1.00 0.00 N ATOM 1211 CA ASN C 38 12.496 4.056 1.775 1.00 0.00 C ATOM 1212 C ASN C 38 11.152 3.441 1.992 1.00 0.00 C ATOM 1213 O ASN C 38 11.038 2.431 2.669 1.00 0.00 O ATOM 1214 CB ASN C 38 12.321 5.557 1.570 1.00 0.00 C ATOM 1215 CG ASN C 38 13.455 6.368 2.135 1.00 0.00 C ATOM 1216 OD1 ASN C 38 13.457 6.685 3.321 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.399 6.734 1.304 1.00 0.00 N ATOM 0 H ASN C 38 12.607 3.161 -0.123 1.00 0.00 H new ATOM 0 HA ASN C 38 13.114 3.880 2.656 1.00 0.00 H new ATOM 0 HB2 ASN C 38 12.231 5.764 0.504 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.388 5.875 2.036 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.176 7.306 1.635 1.00 0.00 H new ATOM 0 HD22 ASN C 38 14.357 6.447 0.326 1.00 0.00 H new ATOM 1224 N VAL C 39 10.173 4.053 1.349 1.00 0.00 N ATOM 1225 CA VAL C 39 8.760 3.848 1.599 1.00 0.00 C ATOM 1226 C VAL C 39 8.217 4.910 2.533 1.00 0.00 C ATOM 1227 O VAL C 39 7.063 5.294 2.453 1.00 0.00 O ATOM 1228 CB VAL C 39 8.402 2.460 2.091 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.241 2.475 3.569 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.127 2.023 1.430 1.00 0.00 C ATOM 0 H VAL C 39 10.349 4.733 0.609 1.00 0.00 H new ATOM 0 HA VAL C 39 8.279 3.941 0.626 1.00 0.00 H new ATOM 0 HB VAL C 39 9.198 1.760 1.838 1.00 0.00 H new ATOM 0 HG11 VAL C 39 7.984 1.475 3.917 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.175 2.792 4.034 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.446 3.170 3.841 1.00 0.00 H new ATOM 0 HG21 VAL C 39 6.861 1.025 1.777 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.328 2.720 1.683 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.265 2.006 0.349 1.00 0.00 H new ATOM 1240 N LYS C 40 9.072 5.403 3.388 1.00 0.00 N ATOM 1241 CA LYS C 40 8.733 6.448 4.292 1.00 0.00 C ATOM 1242 C LYS C 40 8.799 7.762 3.563 1.00 0.00 C ATOM 1243 O LYS C 40 7.786 8.382 3.236 1.00 0.00 O ATOM 1244 CB LYS C 40 9.718 6.424 5.453 1.00 0.00 C ATOM 1245 CG LYS C 40 10.158 5.045 5.855 1.00 0.00 C ATOM 1246 CD LYS C 40 11.590 4.745 5.456 1.00 0.00 C ATOM 1247 CE LYS C 40 12.073 3.467 6.125 1.00 0.00 C ATOM 1248 NZ LYS C 40 13.541 3.273 5.986 1.00 0.00 N ATOM 0 H LYS C 40 10.036 5.079 3.471 1.00 0.00 H new ATOM 0 HA LYS C 40 7.723 6.314 4.681 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.597 7.010 5.182 1.00 0.00 H new ATOM 0 HB3 LYS C 40 9.261 6.913 6.313 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.056 4.937 6.935 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.496 4.310 5.397 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.658 4.644 4.373 1.00 0.00 H new ATOM 0 HD3 LYS C 40 12.235 5.577 5.740 1.00 0.00 H new ATOM 0 HE2 LYS C 40 11.811 3.493 7.183 1.00 0.00 H new ATOM 0 HE3 LYS C 40 11.554 2.614 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.821 2.389 6.458 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 13.790 3.221 4.978 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 14.040 4.073 6.425 1.00 0.00 H new ATOM 1262 N GLU C 41 10.017 8.145 3.276 1.00 0.00 N ATOM 1263 CA GLU C 41 10.295 9.296 2.479 1.00 0.00 C ATOM 1264 C GLU C 41 9.768 9.124 1.056 1.00 0.00 C ATOM 1265 O GLU C 41 9.473 10.094 0.357 1.00 0.00 O ATOM 1266 CB GLU C 41 11.787 9.536 2.494 1.00 0.00 C ATOM 1267 CG GLU C 41 12.277 10.064 3.828 1.00 0.00 C ATOM 1268 CD GLU C 41 13.730 10.491 3.810 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.030 11.566 3.254 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.581 9.769 4.374 1.00 0.00 O ATOM 0 H GLU C 41 10.851 7.654 3.598 1.00 0.00 H new ATOM 0 HA GLU C 41 9.784 10.165 2.894 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.304 8.604 2.264 1.00 0.00 H new ATOM 0 HB3 GLU C 41 12.045 10.246 1.709 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.660 10.913 4.123 1.00 0.00 H new ATOM 0 HG3 GLU C 41 12.142 9.293 4.587 1.00 0.00 H new ATOM 1277 N PHE C 42 9.677 7.870 0.644 1.00 0.00 N ATOM 1278 CA PHE C 42 9.100 7.488 -0.636 1.00 0.00 C ATOM 1279 C PHE C 42 7.651 7.961 -0.717 1.00 0.00 C ATOM 1280 O PHE C 42 7.263 8.641 -1.664 1.00 0.00 O ATOM 1281 CB PHE C 42 9.211 5.960 -0.760 1.00 0.00 C ATOM 1282 CG PHE C 42 8.302 5.285 -1.755 1.00 0.00 C ATOM 1283 CD1 PHE C 42 6.937 5.222 -1.536 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.818 4.693 -2.892 1.00 0.00 C ATOM 1285 CE1 PHE C 42 6.101 4.594 -2.432 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.988 4.059 -3.794 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.626 4.012 -3.562 1.00 0.00 C ATOM 0 H PHE C 42 10.006 7.078 1.196 1.00 0.00 H new ATOM 0 HA PHE C 42 9.633 7.956 -1.464 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.240 5.716 -1.022 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.020 5.526 0.221 1.00 0.00 H new ATOM 0 HD1 PHE C 42 6.520 5.673 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.882 4.727 -3.077 1.00 0.00 H new ATOM 0 HE1 PHE C 42 5.037 4.559 -2.248 1.00 0.00 H new ATOM 0 HE2 PHE C 42 8.402 3.600 -4.680 1.00 0.00 H new ATOM 0 HZ PHE C 42 5.974 3.518 -4.268 1.00 0.00 H new ATOM 1297 N LYS C 43 6.869 7.621 0.304 1.00 0.00 N ATOM 1298 CA LYS C 43 5.456 7.971 0.344 1.00 0.00 C ATOM 1299 C LYS C 43 5.270 9.481 0.380 1.00 0.00 C ATOM 1300 O LYS C 43 4.392 10.028 -0.289 1.00 0.00 O ATOM 1301 CB LYS C 43 4.794 7.334 1.561 1.00 0.00 C ATOM 1302 CG LYS C 43 4.351 5.892 1.349 1.00 0.00 C ATOM 1303 CD LYS C 43 4.028 5.196 2.668 1.00 0.00 C ATOM 1304 CE LYS C 43 3.196 6.070 3.595 1.00 0.00 C ATOM 1305 NZ LYS C 43 1.862 6.390 3.028 1.00 0.00 N ATOM 0 H LYS C 43 7.195 7.100 1.118 1.00 0.00 H new ATOM 0 HA LYS C 43 4.984 7.590 -0.562 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.490 7.369 2.399 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.927 7.931 1.843 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.472 5.873 0.704 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.138 5.343 0.832 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.489 4.270 2.465 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.957 4.921 3.168 1.00 0.00 H new ATOM 0 HE2 LYS C 43 3.069 5.562 4.551 1.00 0.00 H new ATOM 0 HE3 LYS C 43 3.734 6.997 3.796 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.417 7.142 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 1.971 6.712 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 1.263 5.540 3.050 1.00 0.00 H new ATOM 1319 N GLU C 44 6.099 10.143 1.176 1.00 0.00 N ATOM 1320 CA GLU C 44 6.123 11.588 1.247 1.00 0.00 C ATOM 1321 C GLU C 44 6.359 12.208 -0.132 1.00 0.00 C ATOM 1322 O GLU C 44 5.798 13.252 -0.458 1.00 0.00 O ATOM 1323 CB GLU C 44 7.226 12.010 2.197 1.00 0.00 C ATOM 1324 CG GLU C 44 6.980 13.346 2.851 1.00 0.00 C ATOM 1325 CD GLU C 44 8.143 13.791 3.707 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.074 14.423 3.165 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.136 13.511 4.923 1.00 0.00 O ATOM 0 H GLU C 44 6.774 9.687 1.790 1.00 0.00 H new ATOM 0 HA GLU C 44 5.157 11.940 1.608 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.338 11.251 2.971 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.169 12.050 1.651 1.00 0.00 H new ATOM 0 HG2 GLU C 44 6.791 14.095 2.082 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.082 13.287 3.466 1.00 0.00 H new ATOM 1334 N HIS C 45 7.198 11.559 -0.933 1.00 0.00 N ATOM 1335 CA HIS C 45 7.514 12.033 -2.270 1.00 0.00 C ATOM 1336 C HIS C 45 6.325 11.895 -3.216 1.00 0.00 C ATOM 1337 O HIS C 45 5.987 12.832 -3.937 1.00 0.00 O ATOM 1338 CB HIS C 45 8.710 11.263 -2.823 1.00 0.00 C ATOM 1339 CG HIS C 45 10.022 11.959 -2.635 1.00 0.00 C ATOM 1340 ND1 HIS C 45 10.729 11.931 -1.454 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.763 12.698 -3.495 1.00 0.00 C ATOM 1342 CE1 HIS C 45 11.846 12.620 -1.596 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.892 13.097 -2.824 1.00 0.00 N ATOM 0 H HIS C 45 7.674 10.695 -0.673 1.00 0.00 H new ATOM 0 HA HIS C 45 7.759 13.093 -2.198 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.756 10.287 -2.340 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.554 11.085 -3.887 1.00 0.00 H new ATOM 0 HD1 HIS C 45 10.436 11.453 -0.602 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.512 12.930 -4.519 1.00 0.00 H new ATOM 0 HE1 HIS C 45 12.597 12.768 -0.834 1.00 0.00 H new ATOM 1352 N ILE C 46 5.691 10.727 -3.207 1.00 0.00 N ATOM 1353 CA ILE C 46 4.606 10.440 -4.133 1.00 0.00 C ATOM 1354 C ILE C 46 3.327 11.181 -3.727 1.00 0.00 C ATOM 1355 O ILE C 46 2.370 11.235 -4.499 1.00 0.00 O ATOM 1356 CB ILE C 46 4.320 8.922 -4.213 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.499 8.451 -3.019 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.619 8.135 -4.277 1.00 0.00 C ATOM 1359 CD1 ILE C 46 3.155 6.980 -3.069 1.00 0.00 C ATOM 0 H ILE C 46 5.912 9.964 -2.567 1.00 0.00 H new ATOM 0 HA ILE C 46 4.923 10.788 -5.116 1.00 0.00 H new ATOM 0 HB ILE C 46 3.746 8.745 -5.123 1.00 0.00 H new ATOM 0 HG12 ILE C 46 4.053 8.656 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.577 9.031 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.396 7.069 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE C 46 6.183 8.435 -5.160 1.00 0.00 H new ATOM 0 HG23 ILE C 46 6.210 8.336 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.570 6.713 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE C 46 2.574 6.773 -3.967 1.00 0.00 H new ATOM 0 HD13 ILE C 46 4.073 6.392 -3.087 1.00 0.00 H new ATOM 1371 N ALA C 47 3.331 11.749 -2.512 1.00 0.00 N ATOM 1372 CA ALA C 47 2.184 12.456 -1.954 1.00 0.00 C ATOM 1373 C ALA C 47 1.493 13.359 -2.969 1.00 0.00 C ATOM 1374 O ALA C 47 0.315 13.188 -3.246 1.00 0.00 O ATOM 1375 CB ALA C 47 2.617 13.270 -0.746 1.00 0.00 C ATOM 0 H ALA C 47 4.139 11.727 -1.890 1.00 0.00 H new ATOM 0 HA ALA C 47 1.458 11.700 -1.656 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.756 13.796 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.033 12.605 0.011 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.374 13.994 -1.048 1.00 0.00 H new ATOM 1381 N ALA C 48 2.223 14.304 -3.533 1.00 0.00 N ATOM 1382 CA ALA C 48 1.621 15.275 -4.437 1.00 0.00 C ATOM 1383 C ALA C 48 1.263 14.655 -5.774 1.00 0.00 C ATOM 1384 O ALA C 48 0.232 14.982 -6.360 1.00 0.00 O ATOM 1385 CB ALA C 48 2.545 16.441 -4.662 1.00 0.00 C ATOM 0 H ALA C 48 3.225 14.422 -3.385 1.00 0.00 H new ATOM 0 HA ALA C 48 0.704 15.623 -3.961 1.00 0.00 H new ATOM 0 HB1 ALA C 48 2.074 17.153 -5.340 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.753 16.930 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.478 16.086 -5.099 1.00 0.00 H new ATOM 1391 N SER C 49 2.112 13.755 -6.246 1.00 0.00 N ATOM 1392 CA SER C 49 1.919 13.128 -7.536 1.00 0.00 C ATOM 1393 C SER C 49 0.626 12.327 -7.555 1.00 0.00 C ATOM 1394 O SER C 49 -0.088 12.296 -8.557 1.00 0.00 O ATOM 1395 CB SER C 49 3.104 12.239 -7.848 1.00 0.00 C ATOM 1396 OG SER C 49 4.056 12.282 -6.798 1.00 0.00 O ATOM 0 H SER C 49 2.946 13.444 -5.748 1.00 0.00 H new ATOM 0 HA SER C 49 1.844 13.901 -8.300 1.00 0.00 H new ATOM 0 HB2 SER C 49 2.766 11.213 -7.997 1.00 0.00 H new ATOM 0 HB3 SER C 49 3.569 12.559 -8.780 1.00 0.00 H new ATOM 0 HG SER C 49 4.878 11.832 -7.083 1.00 0.00 H new ATOM 1402 N VAL C 50 0.317 11.701 -6.431 1.00 0.00 N ATOM 1403 CA VAL C 50 -0.915 10.944 -6.298 1.00 0.00 C ATOM 1404 C VAL C 50 -1.983 11.763 -5.585 1.00 0.00 C ATOM 1405 O VAL C 50 -3.096 11.282 -5.378 1.00 0.00 O ATOM 1406 CB VAL C 50 -0.684 9.620 -5.540 1.00 0.00 C ATOM 1407 CG1 VAL C 50 0.363 8.782 -6.255 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.272 9.887 -4.102 1.00 0.00 C ATOM 0 H VAL C 50 0.904 11.703 -5.597 1.00 0.00 H new ATOM 0 HA VAL C 50 -1.260 10.711 -7.305 1.00 0.00 H new ATOM 0 HB VAL C 50 -1.620 9.063 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL C 50 0.517 7.850 -5.711 1.00 0.00 H new ATOM 0 HG12 VAL C 50 0.022 8.559 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL C 50 1.301 9.335 -6.302 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.115 8.939 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.652 10.465 -4.090 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -1.058 10.449 -3.597 1.00 0.00 H new ATOM 1418 N SER C 51 -1.613 12.990 -5.179 1.00 0.00 N ATOM 1419 CA SER C 51 -2.510 13.928 -4.516 1.00 0.00 C ATOM 1420 C SER C 51 -3.009 13.323 -3.225 1.00 0.00 C ATOM 1421 O SER C 51 -4.081 13.651 -2.724 1.00 0.00 O ATOM 1422 CB SER C 51 -3.660 14.399 -5.428 1.00 0.00 C ATOM 1423 OG SER C 51 -4.433 13.331 -5.948 1.00 0.00 O ATOM 0 H SER C 51 -0.669 13.354 -5.308 1.00 0.00 H new ATOM 0 HA SER C 51 -1.946 14.831 -4.281 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.310 15.069 -4.866 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.246 14.976 -6.255 1.00 0.00 H new ATOM 0 HG SER C 51 -4.227 12.509 -5.457 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.192 12.431 -2.691 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.474 11.796 -1.437 1.00 0.00 C ATOM 1431 C ILE C 52 -1.275 11.919 -0.507 1.00 0.00 C ATOM 1432 O ILE C 52 -0.231 11.326 -0.766 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.799 10.297 -1.580 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -3.929 10.047 -2.582 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -3.176 9.746 -0.216 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.304 10.160 -1.973 1.00 0.00 C ATOM 0 H ILE C 52 -1.317 12.134 -3.123 1.00 0.00 H new ATOM 0 HA ILE C 52 -3.349 12.305 -1.033 1.00 0.00 H new ATOM 0 HB ILE C 52 -1.915 9.788 -1.964 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -3.843 10.761 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -3.810 9.052 -3.012 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.409 8.685 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -2.342 9.879 0.473 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -4.048 10.278 0.163 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.057 9.971 -2.738 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.409 9.428 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.441 11.163 -1.568 1.00 0.00 H new ATOM 1448 N PRO C 53 -1.409 12.661 0.594 1.00 0.00 N ATOM 1449 CA PRO C 53 -0.323 12.837 1.545 1.00 0.00 C ATOM 1450 C PRO C 53 -0.038 11.563 2.302 1.00 0.00 C ATOM 1451 O PRO C 53 -0.955 10.829 2.660 1.00 0.00 O ATOM 1452 CB PRO C 53 -0.819 13.886 2.513 1.00 0.00 C ATOM 1453 CG PRO C 53 -2.142 14.362 2.007 1.00 0.00 C ATOM 1454 CD PRO C 53 -2.631 13.346 1.017 1.00 0.00 C ATOM 0 HA PRO C 53 0.599 13.119 1.037 1.00 0.00 H new ATOM 0 HB2 PRO C 53 -0.918 13.469 3.515 1.00 0.00 H new ATOM 0 HB3 PRO C 53 -0.112 14.713 2.580 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -2.851 14.471 2.828 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -2.045 15.341 1.537 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -3.342 12.655 1.470 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -3.138 13.818 0.175 1.00 0.00 H new ATOM 1462 N SER C 54 1.244 11.346 2.572 1.00 0.00 N ATOM 1463 CA SER C 54 1.741 10.117 3.175 1.00 0.00 C ATOM 1464 C SER C 54 0.981 9.748 4.451 1.00 0.00 C ATOM 1465 O SER C 54 0.919 8.569 4.807 1.00 0.00 O ATOM 1466 CB SER C 54 3.245 10.244 3.454 1.00 0.00 C ATOM 1467 OG SER C 54 3.781 9.045 3.984 1.00 0.00 O ATOM 0 H SER C 54 1.976 12.028 2.375 1.00 0.00 H new ATOM 0 HA SER C 54 1.573 9.307 2.465 1.00 0.00 H new ATOM 0 HB2 SER C 54 3.766 10.499 2.531 1.00 0.00 H new ATOM 0 HB3 SER C 54 3.418 11.061 4.154 1.00 0.00 H new ATOM 0 HG SER C 54 4.740 9.160 4.148 1.00 0.00 H new ATOM 1473 N GLU C 55 0.383 10.742 5.117 1.00 0.00 N ATOM 1474 CA GLU C 55 -0.341 10.483 6.361 1.00 0.00 C ATOM 1475 C GLU C 55 -1.667 9.751 6.102 1.00 0.00 C ATOM 1476 O GLU C 55 -1.996 8.791 6.793 1.00 0.00 O ATOM 1477 CB GLU C 55 -0.591 11.784 7.125 1.00 0.00 C ATOM 1478 CG GLU C 55 -1.428 12.761 6.372 1.00 0.00 C ATOM 1479 CD GLU C 55 -1.740 14.015 7.162 1.00 0.00 C ATOM 1480 OE1 GLU C 55 -0.939 14.969 7.109 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -2.789 14.049 7.839 1.00 0.00 O ATOM 0 H GLU C 55 0.386 11.718 4.820 1.00 0.00 H new ATOM 0 HA GLU C 55 0.285 9.833 6.973 1.00 0.00 H new ATOM 0 HB2 GLU C 55 -1.079 11.553 8.072 1.00 0.00 H new ATOM 0 HB3 GLU C 55 0.367 12.246 7.364 1.00 0.00 H new ATOM 0 HG2 GLU C 55 -0.913 13.038 5.452 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -2.362 12.281 6.082 1.00 0.00 H new ATOM 1488 N LYS C 56 -2.408 10.184 5.087 1.00 0.00 N ATOM 1489 CA LYS C 56 -3.677 9.547 4.738 1.00 0.00 C ATOM 1490 C LYS C 56 -3.419 8.408 3.768 1.00 0.00 C ATOM 1491 O LYS C 56 -4.142 7.414 3.727 1.00 0.00 O ATOM 1492 CB LYS C 56 -4.629 10.557 4.094 1.00 0.00 C ATOM 1493 CG LYS C 56 -4.969 11.741 4.984 1.00 0.00 C ATOM 1494 CD LYS C 56 -5.846 12.748 4.260 1.00 0.00 C ATOM 1495 CE LYS C 56 -6.134 13.957 5.133 1.00 0.00 C ATOM 1496 NZ LYS C 56 -6.958 14.973 4.424 1.00 0.00 N ATOM 0 H LYS C 56 -2.154 10.972 4.491 1.00 0.00 H new ATOM 0 HA LYS C 56 -4.138 9.164 5.648 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -4.181 10.926 3.171 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -5.552 10.046 3.818 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -5.481 11.389 5.880 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -4.050 12.227 5.312 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -5.354 13.069 3.342 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -6.784 12.274 3.970 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -6.652 13.636 6.037 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -5.193 14.409 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -7.131 15.781 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -6.453 15.299 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -7.866 14.550 4.145 1.00 0.00 H new ATOM 1510 N GLN C 57 -2.358 8.590 3.008 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.935 7.672 1.968 1.00 0.00 C ATOM 1512 C GLN C 57 -1.690 6.276 2.525 1.00 0.00 C ATOM 1513 O GLN C 57 -0.994 6.119 3.531 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.630 8.202 1.395 1.00 0.00 C ATOM 1515 CG GLN C 57 -0.260 7.658 0.041 1.00 0.00 C ATOM 1516 CD GLN C 57 1.175 7.968 -0.286 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.058 7.167 -0.010 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.424 9.149 -0.824 1.00 0.00 N ATOM 0 H GLN C 57 -1.749 9.403 3.099 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.716 7.602 1.210 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.695 9.288 1.328 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.175 7.974 2.094 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.417 6.580 0.022 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.912 8.088 -0.719 1.00 0.00 H new ATOM 0 HE21 GLN C 57 0.655 9.785 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.385 9.425 -1.026 1.00 0.00 H new ATOM 1527 N ARG C 58 -2.241 5.270 1.869 1.00 0.00 N ATOM 1528 CA ARG C 58 -1.993 3.884 2.251 1.00 0.00 C ATOM 1529 C ARG C 58 -1.739 3.019 1.022 1.00 0.00 C ATOM 1530 O ARG C 58 -2.556 2.982 0.104 1.00 0.00 O ATOM 1531 CB ARG C 58 -3.170 3.326 3.055 1.00 0.00 C ATOM 1532 CG ARG C 58 -3.278 3.918 4.449 1.00 0.00 C ATOM 1533 CD ARG C 58 -4.447 3.336 5.222 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.460 3.791 6.612 1.00 0.00 N ATOM 1535 CZ ARG C 58 -5.245 3.271 7.555 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -6.096 2.298 7.250 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -5.177 3.721 8.805 1.00 0.00 N ATOM 0 H ARG C 58 -2.864 5.383 1.069 1.00 0.00 H new ATOM 0 HA ARG C 58 -1.101 3.863 2.878 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -4.096 3.519 2.513 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -3.067 2.244 3.134 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -2.353 3.732 4.995 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -3.393 4.999 4.376 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -5.381 3.621 4.738 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -4.394 2.248 5.196 1.00 0.00 H new ATOM 0 HE ARG C 58 -3.832 4.550 6.875 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -6.149 1.948 6.293 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -6.696 1.901 7.972 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -4.523 4.466 9.044 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -5.779 3.321 9.525 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.589 2.345 1.003 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.234 1.457 -0.082 1.00 0.00 C ATOM 1553 C LEU C 59 -0.800 0.070 0.172 1.00 0.00 C ATOM 1554 O LEU C 59 -0.284 -0.667 0.984 1.00 0.00 O ATOM 1555 CB LEU C 59 1.272 1.350 -0.147 1.00 0.00 C ATOM 1556 CG LEU C 59 2.039 2.635 -0.457 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.508 2.462 -0.104 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.896 2.996 -1.927 1.00 0.00 C ATOM 0 H LEU C 59 0.114 2.405 1.740 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.638 1.851 -1.015 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.627 0.964 0.808 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.528 0.610 -0.905 1.00 0.00 H new ATOM 0 HG LEU C 59 1.622 3.444 0.143 1.00 0.00 H new ATOM 0 HD11 LEU C 59 4.047 3.383 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.603 2.235 0.958 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.929 1.644 -0.688 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.448 3.913 -2.132 1.00 0.00 H new ATOM 0 HD22 LEU C 59 2.295 2.188 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.843 3.146 -2.164 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.847 -0.287 -0.512 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.442 -1.601 -0.331 1.00 0.00 C ATOM 1572 C ILE C 60 -2.050 -2.540 -1.452 1.00 0.00 C ATOM 1573 O ILE C 60 -2.385 -2.315 -2.612 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.965 -1.527 -0.293 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.422 -0.362 0.572 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.520 -2.836 0.238 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.881 -0.040 0.400 1.00 0.00 C ATOM 0 H ILE C 60 -2.314 0.303 -1.201 1.00 0.00 H new ATOM 0 HA ILE C 60 -2.068 -1.977 0.621 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.341 -1.363 -1.303 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.228 -0.596 1.619 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.830 0.520 0.327 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.608 -2.785 0.266 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -4.212 -3.653 -0.414 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -4.139 -3.011 1.244 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.147 0.799 1.043 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.075 0.223 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.480 -0.909 0.672 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.348 -3.593 -1.105 1.00 0.00 N ATOM 1590 CA TYR C 61 -1.033 -4.628 -2.061 1.00 0.00 C ATOM 1591 C TYR C 61 -1.456 -5.979 -1.506 1.00 0.00 C ATOM 1592 O TYR C 61 -0.919 -6.437 -0.500 1.00 0.00 O ATOM 1593 CB TYR C 61 0.453 -4.617 -2.426 1.00 0.00 C ATOM 1594 CG TYR C 61 0.788 -5.633 -3.484 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.128 -5.601 -4.700 1.00 0.00 C ATOM 1596 CD2 TYR C 61 1.734 -6.625 -3.272 1.00 0.00 C ATOM 1597 CE1 TYR C 61 0.396 -6.525 -5.679 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.014 -7.557 -4.252 1.00 0.00 C ATOM 1599 CZ TYR C 61 1.339 -7.506 -5.454 1.00 0.00 C ATOM 1600 OH TYR C 61 1.607 -8.439 -6.429 1.00 0.00 O ATOM 0 H TYR C 61 -0.984 -3.756 -0.166 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.586 -4.436 -2.980 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.731 -3.624 -2.778 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.046 -4.816 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.611 -4.835 -4.882 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.258 -6.669 -2.329 1.00 0.00 H new ATOM 0 HE1 TYR C 61 -0.129 -6.484 -6.622 1.00 0.00 H new ATOM 0 HE2 TYR C 61 2.757 -8.321 -4.078 1.00 0.00 H new ATOM 0 HH TYR C 61 2.297 -9.057 -6.109 1.00 0.00 H new ATOM 1610 N GLN C 62 -2.446 -6.589 -2.156 1.00 0.00 N ATOM 1611 CA GLN C 62 -3.010 -7.868 -1.721 1.00 0.00 C ATOM 1612 C GLN C 62 -3.609 -7.733 -0.323 1.00 0.00 C ATOM 1613 O GLN C 62 -3.420 -8.590 0.539 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.952 -8.974 -1.762 1.00 0.00 C ATOM 1615 CG GLN C 62 -1.265 -9.096 -3.112 1.00 0.00 C ATOM 1616 CD GLN C 62 -0.398 -10.323 -3.216 1.00 0.00 C ATOM 1617 OE1 GLN C 62 0.770 -10.307 -2.835 1.00 0.00 O ATOM 1618 NE2 GLN C 62 -0.949 -11.385 -3.766 1.00 0.00 N ATOM 0 H GLN C 62 -2.880 -6.212 -2.998 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.807 -8.147 -2.410 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -1.202 -8.778 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -2.421 -9.926 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -2.020 -9.122 -3.898 1.00 0.00 H new ATOM 0 HG3 GLN C 62 -0.655 -8.210 -3.286 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -1.923 -11.356 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN C 62 -0.402 -12.237 -3.889 1.00 0.00 H new ATOM 1627 N GLY C 63 -4.323 -6.631 -0.108 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.974 -6.383 1.169 1.00 0.00 C ATOM 1629 C GLY C 63 -4.001 -6.011 2.272 1.00 0.00 C ATOM 1630 O GLY C 63 -4.411 -5.676 3.383 1.00 0.00 O ATOM 0 H GLY C 63 -4.464 -5.898 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.702 -5.580 1.049 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.528 -7.273 1.467 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.714 -6.053 1.963 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.689 -5.718 2.923 1.00 0.00 C ATOM 1636 C ARG C 64 -1.437 -4.229 2.849 1.00 0.00 C ATOM 1637 O ARG C 64 -1.159 -3.701 1.773 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.407 -6.484 2.596 1.00 0.00 C ATOM 1639 CG ARG C 64 0.684 -6.359 3.645 1.00 0.00 C ATOM 1640 CD ARG C 64 0.442 -7.290 4.822 1.00 0.00 C ATOM 1641 NE ARG C 64 -0.696 -6.890 5.651 1.00 0.00 N ATOM 1642 CZ ARG C 64 -0.638 -5.971 6.616 1.00 0.00 C ATOM 1643 NH1 ARG C 64 0.483 -5.287 6.826 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -1.703 -5.741 7.374 1.00 0.00 N ATOM 0 H ARG C 64 -2.359 -6.319 1.045 1.00 0.00 H new ATOM 0 HA ARG C 64 -2.009 -5.991 3.929 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.651 -7.538 2.467 1.00 0.00 H new ATOM 0 HB3 ARG C 64 -0.019 -6.128 1.642 1.00 0.00 H new ATOM 0 HG2 ARG C 64 1.650 -6.586 3.194 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.732 -5.329 3.999 1.00 0.00 H new ATOM 0 HD2 ARG C 64 0.274 -8.300 4.449 1.00 0.00 H new ATOM 0 HD3 ARG C 64 1.339 -7.324 5.440 1.00 0.00 H new ATOM 0 HE ARG C 64 -1.593 -7.344 5.479 1.00 0.00 H new ATOM 0 HH11 ARG C 64 1.304 -5.464 6.248 1.00 0.00 H new ATOM 0 HH12 ARG C 64 0.521 -4.585 7.565 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -2.563 -6.266 7.218 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -1.661 -5.039 8.113 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.538 -3.549 3.973 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.378 -2.113 3.978 1.00 0.00 C ATOM 1660 C VAL C 65 0.093 -1.758 4.150 1.00 0.00 C ATOM 1661 O VAL C 65 0.586 -1.597 5.268 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.210 -1.455 5.092 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -2.691 -0.076 4.660 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.380 -2.348 5.485 1.00 0.00 C ATOM 0 H VAL C 65 -1.728 -3.964 4.885 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.738 -1.731 3.023 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.575 -1.328 5.969 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.278 0.372 5.462 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -1.831 0.557 4.441 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.309 -0.169 3.767 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -3.957 -1.866 6.274 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.019 -2.513 4.618 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.002 -3.305 5.845 1.00 0.00 H new ATOM 1674 N LEU C 66 0.784 -1.662 3.025 1.00 0.00 N ATOM 1675 CA LEU C 66 2.181 -1.273 2.992 1.00 0.00 C ATOM 1676 C LEU C 66 2.272 0.191 3.396 1.00 0.00 C ATOM 1677 O LEU C 66 1.504 1.027 2.911 1.00 0.00 O ATOM 1678 CB LEU C 66 2.777 -1.455 1.586 1.00 0.00 C ATOM 1679 CG LEU C 66 2.133 -2.532 0.701 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.878 -2.624 -0.617 1.00 0.00 C ATOM 1681 CD2 LEU C 66 2.111 -3.889 1.390 1.00 0.00 C ATOM 0 H LEU C 66 0.387 -1.853 2.105 1.00 0.00 H new ATOM 0 HA LEU C 66 2.746 -1.904 3.678 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.713 -0.501 1.063 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.836 -1.690 1.693 1.00 0.00 H new ATOM 0 HG LEU C 66 1.099 -2.242 0.516 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.418 -3.389 -1.242 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.833 -1.662 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.919 -2.887 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.648 -4.624 0.732 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.131 -4.198 1.618 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.538 -3.818 2.315 1.00 0.00 H new ATOM 1693 N GLN C 67 3.192 0.514 4.275 1.00 0.00 N ATOM 1694 CA GLN C 67 3.208 1.838 4.861 1.00 0.00 C ATOM 1695 C GLN C 67 4.633 2.348 5.061 1.00 0.00 C ATOM 1696 O GLN C 67 5.598 1.679 4.705 1.00 0.00 O ATOM 1697 CB GLN C 67 2.453 1.794 6.190 1.00 0.00 C ATOM 1698 CG GLN C 67 2.919 0.680 7.113 1.00 0.00 C ATOM 1699 CD GLN C 67 1.956 0.429 8.253 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.061 1.038 9.317 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.006 -0.470 8.036 1.00 0.00 N ATOM 0 H GLN C 67 3.931 -0.111 4.598 1.00 0.00 H new ATOM 0 HA GLN C 67 2.718 2.534 4.180 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.572 2.751 6.699 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.389 1.669 5.991 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.041 -0.237 6.537 1.00 0.00 H new ATOM 0 HG3 GLN C 67 3.898 0.935 7.519 1.00 0.00 H new ATOM 0 HE21 GLN C 67 0.955 -0.952 7.138 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.326 -0.680 8.767 1.00 0.00 H new ATOM 1710 N ASP C 68 4.735 3.534 5.655 1.00 0.00 N ATOM 1711 CA ASP C 68 5.991 4.239 5.865 1.00 0.00 C ATOM 1712 C ASP C 68 6.858 3.588 6.944 1.00 0.00 C ATOM 1713 O ASP C 68 7.929 4.083 7.265 1.00 0.00 O ATOM 1714 CB ASP C 68 5.719 5.705 6.226 1.00 0.00 C ATOM 1715 CG ASP C 68 4.883 5.862 7.481 1.00 0.00 C ATOM 1716 OD1 ASP C 68 3.718 5.402 7.489 1.00 0.00 O ATOM 1717 OD2 ASP C 68 5.377 6.461 8.458 1.00 0.00 O ATOM 0 H ASP C 68 3.925 4.042 6.011 1.00 0.00 H new ATOM 0 HA ASP C 68 6.547 4.185 4.929 1.00 0.00 H new ATOM 0 HB2 ASP C 68 6.669 6.222 6.362 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.209 6.190 5.394 1.00 0.00 H new ATOM 1722 N ASP C 69 6.375 2.517 7.538 1.00 0.00 N ATOM 1723 CA ASP C 69 7.087 1.872 8.637 1.00 0.00 C ATOM 1724 C ASP C 69 8.233 0.968 8.160 1.00 0.00 C ATOM 1725 O ASP C 69 9.172 0.706 8.911 1.00 0.00 O ATOM 1726 CB ASP C 69 6.102 1.064 9.480 1.00 0.00 C ATOM 1727 CG ASP C 69 6.776 0.249 10.567 1.00 0.00 C ATOM 1728 OD1 ASP C 69 7.184 0.835 11.592 1.00 0.00 O ATOM 1729 OD2 ASP C 69 6.890 -0.985 10.406 1.00 0.00 O ATOM 0 H ASP C 69 5.494 2.070 7.284 1.00 0.00 H new ATOM 0 HA ASP C 69 7.539 2.663 9.236 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.382 1.743 9.937 1.00 0.00 H new ATOM 0 HB3 ASP C 69 5.540 0.395 8.829 1.00 0.00 H new ATOM 1734 N LYS C 70 8.187 0.514 6.913 1.00 0.00 N ATOM 1735 CA LYS C 70 9.085 -0.558 6.476 1.00 0.00 C ATOM 1736 C LYS C 70 9.924 -0.165 5.262 1.00 0.00 C ATOM 1737 O LYS C 70 10.313 0.989 5.106 1.00 0.00 O ATOM 1738 CB LYS C 70 8.274 -1.813 6.144 1.00 0.00 C ATOM 1739 CG LYS C 70 7.311 -2.229 7.237 1.00 0.00 C ATOM 1740 CD LYS C 70 6.948 -3.700 7.112 1.00 0.00 C ATOM 1741 CE LYS C 70 6.050 -4.150 8.248 1.00 0.00 C ATOM 1742 NZ LYS C 70 5.796 -5.612 8.206 1.00 0.00 N ATOM 0 H LYS C 70 7.551 0.861 6.195 1.00 0.00 H new ATOM 0 HA LYS C 70 9.771 -0.753 7.301 1.00 0.00 H new ATOM 0 HB2 LYS C 70 7.713 -1.639 5.226 1.00 0.00 H new ATOM 0 HB3 LYS C 70 8.961 -2.636 5.946 1.00 0.00 H new ATOM 0 HG2 LYS C 70 7.760 -2.043 8.213 1.00 0.00 H new ATOM 0 HG3 LYS C 70 6.408 -1.622 7.181 1.00 0.00 H new ATOM 0 HD2 LYS C 70 6.446 -3.872 6.160 1.00 0.00 H new ATOM 0 HD3 LYS C 70 7.857 -4.301 7.106 1.00 0.00 H new ATOM 0 HE2 LYS C 70 6.511 -3.889 9.201 1.00 0.00 H new ATOM 0 HE3 LYS C 70 5.102 -3.615 8.195 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 5.178 -5.880 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 5.333 -5.858 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 6.698 -6.123 8.282 1.00 0.00 H new ATOM 1756 N LYS C 71 10.238 -1.164 4.438 1.00 0.00 N ATOM 1757 CA LYS C 71 10.961 -0.969 3.186 1.00 0.00 C ATOM 1758 C LYS C 71 10.166 -1.619 2.059 1.00 0.00 C ATOM 1759 O LYS C 71 9.308 -2.455 2.331 1.00 0.00 O ATOM 1760 CB LYS C 71 12.361 -1.605 3.225 1.00 0.00 C ATOM 1761 CG LYS C 71 13.276 -1.126 4.349 1.00 0.00 C ATOM 1762 CD LYS C 71 12.894 -1.722 5.697 1.00 0.00 C ATOM 1763 CE LYS C 71 13.977 -1.496 6.737 1.00 0.00 C ATOM 1764 NZ LYS C 71 15.226 -2.235 6.411 1.00 0.00 N ATOM 0 H LYS C 71 9.995 -2.137 4.623 1.00 0.00 H new ATOM 0 HA LYS C 71 11.079 0.103 3.027 1.00 0.00 H new ATOM 0 HB2 LYS C 71 12.246 -2.686 3.311 1.00 0.00 H new ATOM 0 HB3 LYS C 71 12.854 -1.411 2.273 1.00 0.00 H new ATOM 0 HG2 LYS C 71 14.306 -1.393 4.115 1.00 0.00 H new ATOM 0 HG3 LYS C 71 13.235 -0.038 4.410 1.00 0.00 H new ATOM 0 HD2 LYS C 71 11.960 -1.276 6.041 1.00 0.00 H new ATOM 0 HD3 LYS C 71 12.714 -2.791 5.585 1.00 0.00 H new ATOM 0 HE2 LYS C 71 14.194 -0.430 6.808 1.00 0.00 H new ATOM 0 HE3 LYS C 71 13.613 -1.813 7.714 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 15.802 -2.339 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 14.986 -3.176 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 15.765 -1.707 5.695 1.00 0.00 H new ATOM 1778 N LEU C 72 10.456 -1.287 0.806 1.00 0.00 N ATOM 1779 CA LEU C 72 9.699 -1.826 -0.304 1.00 0.00 C ATOM 1780 C LEU C 72 9.911 -3.341 -0.436 1.00 0.00 C ATOM 1781 O LEU C 72 8.985 -4.090 -0.753 1.00 0.00 O ATOM 1782 CB LEU C 72 10.115 -1.127 -1.584 1.00 0.00 C ATOM 1783 CG LEU C 72 9.744 0.347 -1.713 1.00 0.00 C ATOM 1784 CD1 LEU C 72 8.241 0.554 -1.637 1.00 0.00 C ATOM 1785 CD2 LEU C 72 10.460 1.235 -0.705 1.00 0.00 C ATOM 0 H LEU C 72 11.207 -0.650 0.540 1.00 0.00 H new ATOM 0 HA LEU C 72 8.639 -1.652 -0.119 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.197 -1.215 -1.683 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.673 -1.664 -2.424 1.00 0.00 H new ATOM 0 HG LEU C 72 10.086 0.653 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU C 72 8.015 1.616 -1.733 1.00 0.00 H new ATOM 0 HD12 LEU C 72 7.757 0.006 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU C 72 7.871 0.189 -0.679 1.00 0.00 H new ATOM 0 HD21 LEU C 72 10.153 2.271 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU C 72 10.203 0.918 0.306 1.00 0.00 H new ATOM 0 HD23 LEU C 72 11.537 1.153 -0.848 1.00 0.00 H new ATOM 1797 N GLN C 73 11.138 -3.782 -0.170 1.00 0.00 N ATOM 1798 CA GLN C 73 11.521 -5.183 -0.306 1.00 0.00 C ATOM 1799 C GLN C 73 10.870 -6.031 0.779 1.00 0.00 C ATOM 1800 O GLN C 73 10.772 -7.250 0.660 1.00 0.00 O ATOM 1801 CB GLN C 73 13.024 -5.319 -0.265 1.00 0.00 C ATOM 1802 CG GLN C 73 13.534 -6.695 -0.666 1.00 0.00 C ATOM 1803 CD GLN C 73 15.048 -6.794 -0.631 1.00 0.00 C ATOM 1804 OE1 GLN C 73 15.635 -7.130 0.397 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.689 -6.517 -1.757 1.00 0.00 N ATOM 0 H GLN C 73 11.895 -3.176 0.146 1.00 0.00 H new ATOM 0 HA GLN C 73 11.167 -5.546 -1.271 1.00 0.00 H new ATOM 0 HB2 GLN C 73 13.464 -4.573 -0.927 1.00 0.00 H new ATOM 0 HB3 GLN C 73 13.371 -5.094 0.744 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.110 -7.444 0.003 1.00 0.00 H new ATOM 0 HG3 GLN C 73 13.182 -6.929 -1.671 1.00 0.00 H new ATOM 0 HE21 GLN C 73 15.165 -6.242 -2.588 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.706 -6.579 -1.793 1.00 0.00 H new ATOM 1814 N GLU C 74 10.413 -5.366 1.833 1.00 0.00 N ATOM 1815 CA GLU C 74 9.643 -6.022 2.881 1.00 0.00 C ATOM 1816 C GLU C 74 8.324 -6.521 2.305 1.00 0.00 C ATOM 1817 O GLU C 74 7.750 -7.503 2.778 1.00 0.00 O ATOM 1818 CB GLU C 74 9.377 -5.049 4.031 1.00 0.00 C ATOM 1819 CG GLU C 74 10.627 -4.629 4.788 1.00 0.00 C ATOM 1820 CD GLU C 74 11.132 -5.703 5.724 1.00 0.00 C ATOM 1821 OE1 GLU C 74 10.599 -5.810 6.845 1.00 0.00 O ATOM 1822 OE2 GLU C 74 12.064 -6.436 5.349 1.00 0.00 O ATOM 0 H GLU C 74 10.564 -4.369 1.984 1.00 0.00 H new ATOM 0 HA GLU C 74 10.213 -6.868 3.266 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.889 -4.159 3.634 1.00 0.00 H new ATOM 0 HB3 GLU C 74 8.679 -5.511 4.730 1.00 0.00 H new ATOM 0 HG2 GLU C 74 11.411 -4.377 4.074 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.414 -3.726 5.360 1.00 0.00 H new ATOM 1829 N TYR C 75 7.849 -5.823 1.281 1.00 0.00 N ATOM 1830 CA TYR C 75 6.615 -6.185 0.605 1.00 0.00 C ATOM 1831 C TYR C 75 6.927 -7.031 -0.626 1.00 0.00 C ATOM 1832 O TYR C 75 6.077 -7.773 -1.117 1.00 0.00 O ATOM 1833 CB TYR C 75 5.846 -4.920 0.218 1.00 0.00 C ATOM 1834 CG TYR C 75 5.814 -3.875 1.319 1.00 0.00 C ATOM 1835 CD1 TYR C 75 5.187 -4.124 2.536 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.425 -2.641 1.144 1.00 0.00 C ATOM 1837 CE1 TYR C 75 5.172 -3.175 3.540 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.416 -1.689 2.145 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.787 -1.960 3.338 1.00 0.00 C ATOM 1840 OH TYR C 75 5.769 -1.011 4.333 1.00 0.00 O ATOM 0 H TYR C 75 8.307 -4.995 0.899 1.00 0.00 H new ATOM 0 HA TYR C 75 5.992 -6.775 1.277 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.300 -4.485 -0.672 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.824 -5.191 -0.046 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.704 -5.076 2.699 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.917 -2.421 0.208 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.680 -3.385 4.478 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.901 -0.736 1.992 1.00 0.00 H new ATOM 0 HH TYR C 75 5.754 -0.117 3.932 1.00 0.00 H new ATOM 1850 N ASN C 76 8.168 -6.887 -1.114 1.00 0.00 N ATOM 1851 CA ASN C 76 8.683 -7.667 -2.238 1.00 0.00 C ATOM 1852 C ASN C 76 7.864 -7.318 -3.453 1.00 0.00 C ATOM 1853 O ASN C 76 7.327 -8.165 -4.166 1.00 0.00 O ATOM 1854 CB ASN C 76 8.653 -9.169 -1.931 1.00 0.00 C ATOM 1855 CG ASN C 76 9.271 -10.022 -3.028 1.00 0.00 C ATOM 1856 OD1 ASN C 76 10.177 -9.586 -3.743 1.00 0.00 O ATOM 1857 ND2 ASN C 76 8.788 -11.248 -3.164 1.00 0.00 N ATOM 0 H ASN C 76 8.842 -6.222 -0.735 1.00 0.00 H new ATOM 0 HA ASN C 76 9.729 -7.422 -2.424 1.00 0.00 H new ATOM 0 HB2 ASN C 76 9.183 -9.352 -0.996 1.00 0.00 H new ATOM 0 HB3 ASN C 76 7.620 -9.480 -1.777 1.00 0.00 H new ATOM 0 HD21 ASN C 76 9.166 -11.869 -3.880 1.00 0.00 H new ATOM 0 HD22 ASN C 76 8.038 -11.571 -2.553 1.00 0.00 H new ATOM 1864 N VAL C 77 7.798 -6.030 -3.666 1.00 0.00 N ATOM 1865 CA VAL C 77 6.813 -5.440 -4.502 1.00 0.00 C ATOM 1866 C VAL C 77 7.349 -5.095 -5.894 1.00 0.00 C ATOM 1867 O VAL C 77 6.612 -4.594 -6.745 1.00 0.00 O ATOM 1868 CB VAL C 77 6.308 -4.217 -3.738 1.00 0.00 C ATOM 1869 CG1 VAL C 77 6.833 -2.913 -4.292 1.00 0.00 C ATOM 1870 CG2 VAL C 77 4.817 -4.273 -3.636 1.00 0.00 C ATOM 0 H VAL C 77 8.444 -5.358 -3.251 1.00 0.00 H new ATOM 0 HA VAL C 77 6.000 -6.136 -4.707 1.00 0.00 H new ATOM 0 HB VAL C 77 6.712 -4.249 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL C 77 6.438 -2.083 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL C 77 7.922 -2.908 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL C 77 6.519 -2.806 -5.330 1.00 0.00 H new ATOM 0 HG21 VAL C 77 4.457 -3.401 -3.091 1.00 0.00 H new ATOM 0 HG22 VAL C 77 4.384 -4.280 -4.636 1.00 0.00 H new ATOM 0 HG23 VAL C 77 4.522 -5.179 -3.106 1.00 0.00 H new ATOM 1880 N GLY C 78 8.636 -5.375 -6.108 1.00 0.00 N ATOM 1881 CA GLY C 78 9.267 -5.176 -7.386 1.00 0.00 C ATOM 1882 C GLY C 78 8.494 -5.711 -8.544 1.00 0.00 C ATOM 1883 O GLY C 78 8.446 -6.912 -8.820 1.00 0.00 O ATOM 0 H GLY C 78 9.259 -5.746 -5.390 1.00 0.00 H new ATOM 0 HA2 GLY C 78 9.430 -4.109 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY C 78 10.249 -5.649 -7.370 1.00 0.00 H new ATOM 1887 N GLY C 79 7.886 -4.775 -9.184 1.00 0.00 N ATOM 1888 CA GLY C 79 7.232 -5.005 -10.459 1.00 0.00 C ATOM 1889 C GLY C 79 5.765 -5.365 -10.350 1.00 0.00 C ATOM 1890 O GLY C 79 5.170 -5.853 -11.308 1.00 0.00 O ATOM 0 H GLY C 79 7.818 -3.814 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.330 -4.109 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.753 -5.807 -10.982 1.00 0.00 H new ATOM 1894 N LYS C 80 5.185 -5.149 -9.187 1.00 0.00 N ATOM 1895 CA LYS C 80 3.768 -5.444 -8.974 1.00 0.00 C ATOM 1896 C LYS C 80 3.005 -4.163 -8.647 1.00 0.00 C ATOM 1897 O LYS C 80 3.534 -3.298 -7.952 1.00 0.00 O ATOM 1898 CB LYS C 80 3.614 -6.449 -7.831 1.00 0.00 C ATOM 1899 CG LYS C 80 4.487 -7.688 -7.977 1.00 0.00 C ATOM 1900 CD LYS C 80 4.203 -8.434 -9.271 1.00 0.00 C ATOM 1901 CE LYS C 80 5.184 -9.575 -9.480 1.00 0.00 C ATOM 1902 NZ LYS C 80 6.589 -9.093 -9.569 1.00 0.00 N ATOM 0 H LYS C 80 5.666 -4.771 -8.371 1.00 0.00 H new ATOM 0 HA LYS C 80 3.356 -5.874 -9.887 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.856 -5.955 -6.890 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.570 -6.757 -7.769 1.00 0.00 H new ATOM 0 HG2 LYS C 80 5.537 -7.397 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS C 80 4.318 -8.353 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS C 80 3.186 -8.826 -9.251 1.00 0.00 H new ATOM 0 HD3 LYS C 80 4.262 -7.743 -10.112 1.00 0.00 H new ATOM 0 HE2 LYS C 80 5.096 -10.284 -8.657 1.00 0.00 H new ATOM 0 HE3 LYS C 80 4.926 -10.112 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 7.058 -9.539 -10.383 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 6.595 -8.060 -9.689 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 7.098 -9.343 -8.697 1.00 0.00 H new ATOM 1916 N VAL C 81 1.769 -4.035 -9.149 1.00 0.00 N ATOM 1917 CA VAL C 81 0.984 -2.824 -8.903 1.00 0.00 C ATOM 1918 C VAL C 81 0.345 -2.813 -7.527 1.00 0.00 C ATOM 1919 O VAL C 81 -0.395 -3.725 -7.149 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.115 -2.549 -9.944 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.439 -2.140 -11.287 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.012 -3.723 -10.104 1.00 0.00 C ATOM 0 H VAL C 81 1.301 -4.742 -9.717 1.00 0.00 H new ATOM 0 HA VAL C 81 1.726 -2.030 -8.980 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.691 -1.708 -9.557 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.383 -1.959 -11.980 1.00 0.00 H new ATOM 0 HG12 VAL C 81 1.027 -1.229 -11.176 1.00 0.00 H new ATOM 0 HG13 VAL C 81 1.074 -2.936 -11.676 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -1.778 -3.497 -10.846 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -0.430 -4.584 -10.434 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -1.487 -3.950 -9.150 1.00 0.00 H new ATOM 1932 N ILE C 82 0.645 -1.762 -6.788 1.00 0.00 N ATOM 1933 CA ILE C 82 0.037 -1.529 -5.504 1.00 0.00 C ATOM 1934 C ILE C 82 -1.270 -0.768 -5.691 1.00 0.00 C ATOM 1935 O ILE C 82 -1.573 -0.343 -6.791 1.00 0.00 O ATOM 1936 CB ILE C 82 0.993 -0.757 -4.567 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.335 -1.428 -4.523 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.433 -0.634 -3.159 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.310 -0.777 -3.572 1.00 0.00 C ATOM 0 H ILE C 82 1.319 -1.048 -7.067 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.174 -2.490 -5.035 1.00 0.00 H new ATOM 0 HB ILE C 82 1.101 0.249 -4.973 1.00 0.00 H new ATOM 0 HG12 ILE C 82 2.201 -2.470 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.764 -1.428 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE C 82 1.137 -0.085 -2.534 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.517 -0.101 -3.191 1.00 0.00 H new ATOM 0 HG23 ILE C 82 0.277 -1.629 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE C 82 4.256 -1.317 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.475 0.258 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.903 -0.801 -2.561 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.079 -0.662 -4.654 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.289 0.138 -4.720 1.00 0.00 C ATOM 1953 C HIS C 83 -3.237 1.256 -3.685 1.00 0.00 C ATOM 1954 O HIS C 83 -3.200 0.997 -2.487 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.536 -0.724 -4.477 1.00 0.00 C ATOM 1956 CG HIS C 83 -4.722 -1.845 -5.456 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -5.680 -1.832 -6.447 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -4.088 -3.036 -5.568 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -5.623 -2.965 -7.122 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -4.668 -3.713 -6.610 1.00 0.00 N ATOM 0 H HIS C 83 -1.921 -1.119 -3.756 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.352 0.567 -5.720 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.482 -1.142 -3.472 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.417 -0.082 -4.508 1.00 0.00 H new ATOM 0 HD1 HIS C 83 -6.330 -1.068 -6.630 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -3.275 -3.388 -4.950 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -6.255 -3.234 -7.956 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.215 2.489 -4.148 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.271 3.639 -3.259 1.00 0.00 C ATOM 1971 C LEU C 84 -4.699 4.090 -3.035 1.00 0.00 C ATOM 1972 O LEU C 84 -5.537 4.028 -3.940 1.00 0.00 O ATOM 1973 CB LEU C 84 -2.449 4.794 -3.810 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.009 4.837 -3.327 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -0.248 5.949 -4.025 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -0.960 5.031 -1.824 1.00 0.00 C ATOM 0 H LEU C 84 -3.159 2.724 -5.139 1.00 0.00 H new ATOM 0 HA LEU C 84 -2.849 3.330 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -2.451 4.737 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -2.937 5.731 -3.539 1.00 0.00 H new ATOM 0 HG LEU C 84 -0.536 3.886 -3.571 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.781 5.966 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -0.255 5.775 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -0.723 6.906 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU C 84 0.079 5.060 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.450 5.969 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.474 4.204 -1.333 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.965 4.549 -1.824 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.307 4.957 -1.431 1.00 0.00 C ATOM 1990 C VAL C 85 -6.285 6.184 -0.534 1.00 0.00 C ATOM 1991 O VAL C 85 -5.231 6.605 -0.051 1.00 0.00 O ATOM 1992 CB VAL C 85 -7.049 3.840 -0.667 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -7.303 2.641 -1.560 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -6.273 3.436 0.579 1.00 0.00 C ATOM 0 H VAL C 85 -4.265 4.650 -1.089 1.00 0.00 H new ATOM 0 HA VAL C 85 -6.827 5.182 -2.362 1.00 0.00 H new ATOM 0 HB VAL C 85 -8.017 4.231 -0.355 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -7.827 1.871 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -7.913 2.944 -2.411 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -6.352 2.245 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -6.812 2.648 1.104 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -5.287 3.072 0.291 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -6.163 4.299 1.235 1.00 0.00 H new ATOM 2004 N GLU C 86 -7.468 6.735 -0.322 1.00 0.00 N ATOM 2005 CA GLU C 86 -7.678 7.797 0.641 1.00 0.00 C ATOM 2006 C GLU C 86 -8.544 7.250 1.769 1.00 0.00 C ATOM 2007 O GLU C 86 -9.351 6.339 1.551 1.00 0.00 O ATOM 2008 CB GLU C 86 -8.347 8.981 -0.029 1.00 0.00 C ATOM 2009 CG GLU C 86 -7.789 10.332 0.391 1.00 0.00 C ATOM 2010 CD GLU C 86 -8.336 10.813 1.717 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -7.787 10.429 2.770 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -9.321 11.583 1.708 1.00 0.00 O ATOM 0 H GLU C 86 -8.314 6.455 -0.818 1.00 0.00 H new ATOM 0 HA GLU C 86 -6.725 8.140 1.045 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -8.245 8.878 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -9.414 8.956 0.194 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -6.703 10.266 0.455 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -8.019 11.069 -0.379 1.00 0.00 H new ATOM 2019 N ARG C 87 -8.362 7.779 2.969 1.00 0.00 N ATOM 2020 CA ARG C 87 -9.072 7.300 4.136 1.00 0.00 C ATOM 2021 C ARG C 87 -10.541 7.685 4.095 1.00 0.00 C ATOM 2022 O ARG C 87 -10.999 8.365 3.175 1.00 0.00 O ATOM 2023 CB ARG C 87 -8.450 7.862 5.411 1.00 0.00 C ATOM 2024 CG ARG C 87 -6.964 7.607 5.544 1.00 0.00 C ATOM 2025 CD ARG C 87 -6.505 7.910 6.958 1.00 0.00 C ATOM 2026 NE ARG C 87 -5.104 7.572 7.195 1.00 0.00 N ATOM 2027 CZ ARG C 87 -4.601 7.350 8.410 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -5.390 7.404 9.477 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -3.314 7.078 8.562 1.00 0.00 N ATOM 0 H ARG C 87 -7.720 8.549 3.157 1.00 0.00 H new ATOM 0 HA ARG C 87 -8.993 6.213 4.133 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -8.627 8.937 5.444 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -8.960 7.429 6.272 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -6.742 6.569 5.296 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -6.416 8.228 4.835 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -6.655 8.970 7.162 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -7.129 7.358 7.661 1.00 0.00 H new ATOM 0 HE ARG C 87 -4.479 7.502 6.392 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -6.382 7.615 9.368 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -5.004 7.234 10.406 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -2.702 7.037 7.747 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -2.935 6.909 9.494 1.00 0.00 H new ATOM 2043 N ALA C 88 -11.266 7.232 5.100 1.00 0.00 N ATOM 2044 CA ALA C 88 -12.660 7.599 5.285 1.00 0.00 C ATOM 2045 C ALA C 88 -12.794 9.118 5.460 1.00 0.00 C ATOM 2046 O ALA C 88 -11.784 9.809 5.638 1.00 0.00 O ATOM 2047 CB ALA C 88 -13.224 6.857 6.492 1.00 0.00 C ATOM 0 H ALA C 88 -10.906 6.598 5.813 1.00 0.00 H new ATOM 0 HA ALA C 88 -13.230 7.314 4.401 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -14.270 7.131 6.632 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -13.150 5.782 6.326 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -12.656 7.126 7.383 1.00 0.00 H new ATOM 2053 N PRO C 89 -14.024 9.669 5.413 1.00 0.00 N ATOM 2054 CA PRO C 89 -14.244 11.110 5.598 1.00 0.00 C ATOM 2055 C PRO C 89 -13.616 11.626 6.897 1.00 0.00 C ATOM 2056 O PRO C 89 -13.368 10.850 7.826 1.00 0.00 O ATOM 2057 CB PRO C 89 -15.770 11.227 5.650 1.00 0.00 C ATOM 2058 CG PRO C 89 -16.258 10.062 4.865 1.00 0.00 C ATOM 2059 CD PRO C 89 -15.289 8.952 5.149 1.00 0.00 C ATOM 0 HA PRO C 89 -13.787 11.704 4.807 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -16.136 11.196 6.676 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -16.111 12.168 5.218 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -17.270 9.785 5.162 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -16.290 10.292 3.800 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -15.600 8.355 6.006 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -15.197 8.271 4.303 1.00 0.00 H new ATOM 2067 N PRO C 90 -13.350 12.944 6.980 1.00 0.00 N ATOM 2068 CA PRO C 90 -12.614 13.546 8.096 1.00 0.00 C ATOM 2069 C PRO C 90 -13.419 13.605 9.391 1.00 0.00 C ATOM 2070 O PRO C 90 -13.663 14.679 9.940 1.00 0.00 O ATOM 2071 CB PRO C 90 -12.286 14.958 7.613 1.00 0.00 C ATOM 2072 CG PRO C 90 -12.718 15.025 6.185 1.00 0.00 C ATOM 2073 CD PRO C 90 -13.758 13.961 6.006 1.00 0.00 C ATOM 0 HA PRO C 90 -11.735 12.950 8.343 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -12.807 15.705 8.212 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -11.219 15.163 7.706 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -13.124 16.008 5.948 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -11.874 14.859 5.516 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -14.761 14.337 6.209 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -13.765 13.568 4.989 1.00 0.00 H new ATOM 2081 N GLN C 91 -13.819 12.441 9.878 1.00 0.00 N ATOM 2082 CA GLN C 91 -14.524 12.346 11.143 1.00 0.00 C ATOM 2083 C GLN C 91 -13.523 12.172 12.281 1.00 0.00 C ATOM 2084 O GLN C 91 -13.894 12.133 13.453 1.00 0.00 O ATOM 2085 CB GLN C 91 -15.525 11.185 11.110 1.00 0.00 C ATOM 2086 CG GLN C 91 -14.884 9.805 11.086 1.00 0.00 C ATOM 2087 CD GLN C 91 -15.817 8.720 10.827 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -16.967 8.901 10.425 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -15.262 7.568 10.937 1.00 0.00 N ATOM 0 H GLN C 91 -13.666 11.546 9.413 1.00 0.00 H new ATOM 0 HA GLN C 91 -15.083 13.267 11.311 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -16.174 11.256 11.983 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -16.160 11.293 10.231 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -14.106 9.791 10.322 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -14.394 9.627 12.043 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -14.304 7.494 11.278 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -15.779 6.726 10.683 1.00 0.00 H new ATOM 2098 N THR C 92 -12.250 12.071 11.920 1.00 0.00 N ATOM 2099 CA THR C 92 -11.182 11.983 12.900 1.00 0.00 C ATOM 2100 C THR C 92 -10.773 13.386 13.350 1.00 0.00 C ATOM 2101 O THR C 92 -10.583 14.281 12.521 1.00 0.00 O ATOM 2102 CB THR C 92 -9.959 11.212 12.341 1.00 0.00 C ATOM 2103 OG1 THR C 92 -8.934 11.110 13.338 1.00 0.00 O ATOM 2104 CG2 THR C 92 -9.394 11.886 11.097 1.00 0.00 C ATOM 0 H THR C 92 -11.934 12.048 10.950 1.00 0.00 H new ATOM 0 HA THR C 92 -11.554 11.426 13.760 1.00 0.00 H new ATOM 0 HB THR C 92 -10.300 10.214 12.066 1.00 0.00 H new ATOM 0 HG1 THR C 92 -8.169 10.619 12.972 1.00 0.00 H new ATOM 0 HG21 THR C 92 -8.538 11.318 10.733 1.00 0.00 H new ATOM 0 HG22 THR C 92 -10.161 11.923 10.323 1.00 0.00 H new ATOM 0 HG23 THR C 92 -9.079 12.900 11.344 1.00 0.00 H new ATOM 2112 N HIS C 93 -10.688 13.572 14.668 1.00 0.00 N ATOM 2113 CA HIS C 93 -10.369 14.863 15.293 1.00 0.00 C ATOM 2114 C HIS C 93 -11.530 15.855 15.159 1.00 0.00 C ATOM 2115 O HIS C 93 -11.852 16.569 16.109 1.00 0.00 O ATOM 2116 CB HIS C 93 -9.083 15.468 14.732 1.00 0.00 C ATOM 2117 CG HIS C 93 -8.573 16.630 15.531 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -8.450 17.905 15.025 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -8.149 16.698 16.815 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -7.976 18.706 15.960 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -7.785 17.998 17.057 1.00 0.00 N ATOM 0 H HIS C 93 -10.840 12.823 15.343 1.00 0.00 H new ATOM 0 HA HIS C 93 -10.209 14.665 16.353 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -8.314 14.697 14.695 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -9.260 15.792 13.706 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -8.105 15.880 17.519 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -7.778 19.762 15.847 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -7.425 18.359 17.941 1.00 0.00 H new ATOM 2130 N LEU C 94 -12.142 15.907 13.984 1.00 0.00 N ATOM 2131 CA LEU C 94 -13.323 16.730 13.767 1.00 0.00 C ATOM 2132 C LEU C 94 -14.572 15.919 14.078 1.00 0.00 C ATOM 2133 O LEU C 94 -14.842 14.915 13.415 1.00 0.00 O ATOM 2134 CB LEU C 94 -13.391 17.247 12.330 1.00 0.00 C ATOM 2135 CG LEU C 94 -12.283 18.215 11.890 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -12.057 19.295 12.935 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -10.992 17.470 11.592 1.00 0.00 C ATOM 0 H LEU C 94 -11.838 15.385 13.162 1.00 0.00 H new ATOM 0 HA LEU C 94 -13.262 17.592 14.432 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -13.378 16.388 11.659 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -14.351 17.744 12.193 1.00 0.00 H new ATOM 0 HG LEU C 94 -12.610 18.700 10.970 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -11.267 19.967 12.599 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -12.978 19.860 13.079 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -11.763 18.833 13.878 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -10.225 18.180 11.283 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -10.660 16.945 12.487 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -11.164 16.750 10.792 1.00 0.00 H new ATOM 2149 N PRO C 95 -15.346 16.332 15.092 1.00 0.00 N ATOM 2150 CA PRO C 95 -16.528 15.587 15.531 1.00 0.00 C ATOM 2151 C PRO C 95 -17.617 15.534 14.471 1.00 0.00 C ATOM 2152 O PRO C 95 -18.258 16.541 14.156 1.00 0.00 O ATOM 2153 CB PRO C 95 -17.013 16.347 16.761 1.00 0.00 C ATOM 2154 CG PRO C 95 -16.423 17.711 16.640 1.00 0.00 C ATOM 2155 CD PRO C 95 -15.132 17.551 15.887 1.00 0.00 C ATOM 0 HA PRO C 95 -16.284 14.544 15.735 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -18.102 16.391 16.792 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -16.687 15.858 17.679 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -17.100 18.381 16.111 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -16.247 18.147 17.624 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -14.928 18.413 15.252 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -14.284 17.445 16.563 1.00 0.00 H new ATOM 2163 N SER C 96 -17.815 14.351 13.930 1.00 0.00 N ATOM 2164 CA SER C 96 -18.802 14.126 12.909 1.00 0.00 C ATOM 2165 C SER C 96 -20.196 14.066 13.520 1.00 0.00 C ATOM 2166 O SER C 96 -20.371 13.595 14.648 1.00 0.00 O ATOM 2167 CB SER C 96 -18.490 12.828 12.160 1.00 0.00 C ATOM 2168 OG SER C 96 -19.342 12.656 11.039 1.00 0.00 O ATOM 0 H SER C 96 -17.290 13.517 14.191 1.00 0.00 H new ATOM 0 HA SER C 96 -18.774 14.956 12.203 1.00 0.00 H new ATOM 0 HB2 SER C 96 -17.451 12.838 11.830 1.00 0.00 H new ATOM 0 HB3 SER C 96 -18.602 11.981 12.836 1.00 0.00 H new ATOM 0 HG SER C 96 -18.870 12.153 10.343 1.00 0.00 H new ATOM 2174 N GLY C 97 -21.183 14.552 12.782 1.00 0.00 N ATOM 2175 CA GLY C 97 -22.549 14.493 13.247 1.00 0.00 C ATOM 2176 C GLY C 97 -23.144 13.121 13.028 1.00 0.00 C ATOM 2177 O GLY C 97 -23.828 12.891 12.029 1.00 0.00 O ATOM 0 H GLY C 97 -21.060 14.987 11.868 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -22.586 14.743 14.307 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -23.147 15.239 12.723 1.00 0.00 H new ATOM 2181 N ALA C 98 -22.851 12.204 13.947 1.00 0.00 N ATOM 2182 CA ALA C 98 -23.332 10.827 13.865 1.00 0.00 C ATOM 2183 C ALA C 98 -22.862 10.171 12.570 1.00 0.00 C ATOM 2184 O ALA C 98 -23.650 9.552 11.852 1.00 0.00 O ATOM 2185 CB ALA C 98 -24.851 10.778 13.980 1.00 0.00 C ATOM 0 H ALA C 98 -22.275 12.394 14.767 1.00 0.00 H new ATOM 0 HA ALA C 98 -22.913 10.267 14.701 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -25.188 9.743 13.916 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -25.157 11.201 14.937 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -25.296 11.355 13.169 1.00 0.00 H new ATOM 2191 N SER C 99 -21.570 10.333 12.285 1.00 0.00 N ATOM 2192 CA SER C 99 -20.927 9.810 11.075 1.00 0.00 C ATOM 2193 C SER C 99 -21.694 10.191 9.806 1.00 0.00 C ATOM 2194 O SER C 99 -21.671 9.461 8.815 1.00 0.00 O ATOM 2195 CB SER C 99 -20.731 8.288 11.166 1.00 0.00 C ATOM 2196 OG SER C 99 -21.961 7.598 11.345 1.00 0.00 O ATOM 0 H SER C 99 -20.929 10.839 12.896 1.00 0.00 H new ATOM 0 HA SER C 99 -19.944 10.276 11.008 1.00 0.00 H new ATOM 0 HB2 SER C 99 -20.245 7.931 10.258 1.00 0.00 H new ATOM 0 HB3 SER C 99 -20.063 8.058 11.996 1.00 0.00 H new ATOM 0 HG SER C 99 -22.707 8.202 11.147 1.00 0.00 H new ATOM 2202 N SER C 100 -22.369 11.339 9.857 1.00 0.00 N ATOM 2203 CA SER C 100 -23.128 11.864 8.724 1.00 0.00 C ATOM 2204 C SER C 100 -24.237 10.905 8.283 1.00 0.00 C ATOM 2205 O SER C 100 -24.616 10.878 7.112 1.00 0.00 O ATOM 2206 CB SER C 100 -22.188 12.162 7.553 1.00 0.00 C ATOM 2207 OG SER C 100 -21.103 12.979 7.971 1.00 0.00 O ATOM 0 H SER C 100 -22.405 11.931 10.687 1.00 0.00 H new ATOM 0 HA SER C 100 -23.606 12.788 9.048 1.00 0.00 H new ATOM 0 HB2 SER C 100 -21.807 11.228 7.140 1.00 0.00 H new ATOM 0 HB3 SER C 100 -22.739 12.662 6.756 1.00 0.00 H new ATOM 0 HG SER C 100 -20.514 13.156 7.208 1.00 0.00 H new ATOM 2213 N GLY C 101 -24.759 10.122 9.218 1.00 0.00 N ATOM 2214 CA GLY C 101 -25.849 9.223 8.898 1.00 0.00 C ATOM 2215 C GLY C 101 -25.427 7.772 8.931 1.00 0.00 C ATOM 2216 O GLY C 101 -25.997 6.961 8.174 1.00 0.00 O ATOM 2217 OXT GLY C 101 -24.520 7.432 9.719 1.00 0.00 O ATOM 0 H GLY C 101 -24.448 10.094 10.189 1.00 0.00 H new ATOM 0 HA2 GLY C 101 -26.664 9.378 9.605 1.00 0.00 H new ATOM 0 HA3 GLY C 101 -26.236 9.464 7.908 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -16.215 -2.485 -2.998 1.00 0.00 ZN