USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 731 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 157:sc= 1.28 (180deg=0.891) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 4 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=-0.01) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot -5:sc= -0.383 USER MOD Single : A 16 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.219 K(o=0.22,f=-2!) USER MOD Single : A 20 THR OG1 : rot -70:sc= 0.432 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.0551 F(o=-1.2,f=-0.055) USER MOD Single : A 23 ASN : amide:sc= -0.0429 X(o=-0.043,f=-0.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0178 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 MET CE :methyl 161:sc= -0.125 (180deg=-0.559) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 1.06 (180deg=1.05) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -161:sc= -0.137 (180deg=-0.577) USER MOD Single : A 49 LYS NZ :NH3+ 143:sc= -0.41 (180deg=-2.8!) USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 146:sc= -0.702 (180deg=-3.41!) USER MOD Single : A 62 TYR OH : rot 32:sc= 1.22 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 0:sc= 0.417 USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= 1.25 (180deg=0.754) USER MOD Single : A 73 SER OG : rot -46:sc= 0.0479 USER MOD Single : A 76 SER OG : rot 73:sc= 1.27 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.549 4.668 -23.078 1.00 22.12 N ATOM 2 CA MET A 1 -18.550 4.464 -22.006 1.00 74.52 C ATOM 3 C MET A 1 -18.684 3.068 -21.417 1.00 43.15 C ATOM 4 O MET A 1 -19.761 2.663 -20.981 1.00 4.35 O ATOM 5 CB MET A 1 -18.712 5.516 -20.900 1.00 20.15 C ATOM 6 CG MET A 1 -18.296 6.918 -21.315 1.00 34.34 C ATOM 7 SD MET A 1 -19.323 7.604 -22.631 1.00 61.23 S ATOM 8 CE MET A 1 -18.521 9.183 -22.892 1.00 32.01 C ATOM 0 H1 MET A 1 -19.723 5.686 -23.202 1.00 22.12 H new ATOM 0 H2 MET A 1 -19.190 4.267 -23.968 1.00 22.12 H new ATOM 0 H3 MET A 1 -20.438 4.194 -22.819 1.00 22.12 H new ATOM 0 HA MET A 1 -17.558 4.572 -22.444 1.00 74.52 H new ATOM 0 HB2 MET A 1 -19.754 5.536 -20.582 1.00 20.15 H new ATOM 0 HB3 MET A 1 -18.121 5.214 -20.036 1.00 20.15 H new ATOM 0 HG2 MET A 1 -18.342 7.576 -20.447 1.00 34.34 H new ATOM 0 HG3 MET A 1 -17.258 6.899 -21.646 1.00 34.34 H new ATOM 0 HE1 MET A 1 -19.041 9.729 -23.679 1.00 32.01 H new ATOM 0 HE2 MET A 1 -18.549 9.762 -21.969 1.00 32.01 H new ATOM 0 HE3 MET A 1 -17.484 9.020 -23.187 1.00 32.01 H new ATOM 20 N GLY A 2 -17.582 2.337 -21.416 1.00 41.22 N ATOM 21 CA GLY A 2 -17.575 0.983 -20.906 1.00 75.21 C ATOM 22 C GLY A 2 -16.231 0.325 -21.122 1.00 21.51 C ATOM 23 O GLY A 2 -15.750 0.241 -22.253 1.00 14.14 O ATOM 0 H GLY A 2 -16.680 2.663 -21.764 1.00 41.22 H new ATOM 0 HA2 GLY A 2 -17.812 0.991 -19.842 1.00 75.21 H new ATOM 0 HA3 GLY A 2 -18.352 0.401 -21.402 1.00 75.21 H new ATOM 27 N HIS A 3 -15.619 -0.134 -20.044 1.00 53.04 N ATOM 28 CA HIS A 3 -14.286 -0.716 -20.113 1.00 33.45 C ATOM 29 C HIS A 3 -14.268 -2.120 -19.532 1.00 12.45 C ATOM 30 O HIS A 3 -15.264 -2.600 -18.997 1.00 32.01 O ATOM 31 CB HIS A 3 -13.275 0.154 -19.363 1.00 13.30 C ATOM 32 CG HIS A 3 -13.049 1.503 -19.974 1.00 55.53 C ATOM 33 ND1 HIS A 3 -13.183 2.680 -19.273 1.00 21.41 N ATOM 34 CD2 HIS A 3 -12.675 1.855 -21.224 1.00 43.44 C ATOM 35 CE1 HIS A 3 -12.905 3.696 -20.066 1.00 74.43 C ATOM 36 NE2 HIS A 3 -12.591 3.222 -21.256 1.00 55.12 N ATOM 0 H HIS A 3 -16.023 -0.116 -19.108 1.00 53.04 H new ATOM 0 HA HIS A 3 -14.008 -0.767 -21.166 1.00 33.45 H new ATOM 0 HB2 HIS A 3 -13.618 0.286 -18.337 1.00 13.30 H new ATOM 0 HB3 HIS A 3 -12.323 -0.375 -19.316 1.00 13.30 H new ATOM 0 HD2 HIS A 3 -12.479 1.183 -22.046 1.00 43.44 H new ATOM 0 HE1 HIS A 3 -12.930 4.739 -19.788 1.00 74.43 H new ATOM 0 HE2 HIS A 3 -12.329 3.782 -22.067 1.00 55.12 H new ATOM 45 N HIS A 4 -13.118 -2.765 -19.641 1.00 53.41 N ATOM 46 CA HIS A 4 -12.911 -4.093 -19.081 1.00 63.41 C ATOM 47 C HIS A 4 -11.500 -4.182 -18.511 1.00 43.01 C ATOM 48 O HIS A 4 -10.743 -5.108 -18.797 1.00 74.43 O ATOM 49 CB HIS A 4 -13.156 -5.192 -20.135 1.00 52.24 C ATOM 50 CG HIS A 4 -12.371 -5.039 -21.407 1.00 71.32 C ATOM 51 ND1 HIS A 4 -11.314 -5.855 -21.745 1.00 70.13 N ATOM 52 CD2 HIS A 4 -12.508 -4.166 -22.434 1.00 1.24 C ATOM 53 CE1 HIS A 4 -10.836 -5.489 -22.920 1.00 12.34 C ATOM 54 NE2 HIS A 4 -11.545 -4.467 -23.361 1.00 25.23 N ATOM 0 H HIS A 4 -12.302 -2.384 -20.119 1.00 53.41 H new ATOM 0 HA HIS A 4 -13.632 -4.256 -18.280 1.00 63.41 H new ATOM 0 HB2 HIS A 4 -12.917 -6.159 -19.692 1.00 52.24 H new ATOM 0 HB3 HIS A 4 -14.218 -5.208 -20.381 1.00 52.24 H new ATOM 0 HD2 HIS A 4 -13.242 -3.377 -22.508 1.00 1.24 H new ATOM 0 HE1 HIS A 4 -10.005 -5.949 -23.434 1.00 12.34 H new ATOM 0 HE2 HIS A 4 -11.400 -3.981 -24.246 1.00 25.23 H new ATOM 63 N HIS A 5 -11.159 -3.192 -17.693 1.00 53.42 N ATOM 64 CA HIS A 5 -9.815 -3.077 -17.137 1.00 1.15 C ATOM 65 C HIS A 5 -9.571 -4.123 -16.054 1.00 4.32 C ATOM 66 O HIS A 5 -8.437 -4.555 -15.848 1.00 24.02 O ATOM 67 CB HIS A 5 -9.596 -1.670 -16.568 1.00 30.34 C ATOM 68 CG HIS A 5 -8.192 -1.415 -16.105 1.00 53.31 C ATOM 69 ND1 HIS A 5 -7.858 -1.189 -14.786 1.00 54.33 N ATOM 70 CD2 HIS A 5 -7.031 -1.352 -16.800 1.00 45.24 C ATOM 71 CE1 HIS A 5 -6.556 -0.998 -14.689 1.00 54.54 C ATOM 72 NE2 HIS A 5 -6.032 -1.092 -15.896 1.00 23.14 N ATOM 0 H HIS A 5 -11.799 -2.454 -17.399 1.00 53.42 H new ATOM 0 HA HIS A 5 -9.103 -3.253 -17.943 1.00 1.15 H new ATOM 0 HB2 HIS A 5 -9.856 -0.936 -17.330 1.00 30.34 H new ATOM 0 HB3 HIS A 5 -10.278 -1.516 -15.732 1.00 30.34 H new ATOM 0 HD2 HIS A 5 -6.914 -1.482 -17.866 1.00 45.24 H new ATOM 0 HE1 HIS A 5 -6.012 -0.799 -13.777 1.00 54.54 H new ATOM 0 HE2 HIS A 5 -5.043 -0.988 -16.121 1.00 23.14 H new ATOM 81 N HIS A 6 -10.629 -4.520 -15.365 1.00 45.40 N ATOM 82 CA HIS A 6 -10.516 -5.503 -14.298 1.00 74.22 C ATOM 83 C HIS A 6 -10.148 -6.869 -14.865 1.00 33.31 C ATOM 84 O HIS A 6 -10.772 -7.342 -15.810 1.00 44.15 O ATOM 85 CB HIS A 6 -11.824 -5.595 -13.511 1.00 21.14 C ATOM 86 CG HIS A 6 -11.766 -6.551 -12.361 1.00 4.44 C ATOM 87 ND1 HIS A 6 -10.969 -6.352 -11.257 1.00 71.13 N ATOM 88 CD2 HIS A 6 -12.407 -7.725 -12.150 1.00 0.13 C ATOM 89 CE1 HIS A 6 -11.121 -7.358 -10.420 1.00 11.44 C ATOM 90 NE2 HIS A 6 -11.990 -8.207 -10.935 1.00 51.22 N ATOM 0 H HIS A 6 -11.576 -4.177 -15.525 1.00 45.40 H new ATOM 0 HA HIS A 6 -9.724 -5.181 -13.622 1.00 74.22 H new ATOM 0 HB2 HIS A 6 -12.083 -4.605 -13.137 1.00 21.14 H new ATOM 0 HB3 HIS A 6 -12.624 -5.900 -14.186 1.00 21.14 H new ATOM 0 HD2 HIS A 6 -13.116 -8.195 -12.815 1.00 0.13 H new ATOM 0 HE1 HIS A 6 -10.618 -7.469 -9.471 1.00 11.44 H new ATOM 0 HE2 HIS A 6 -12.300 -9.077 -10.502 1.00 51.22 H new ATOM 99 N HIS A 7 -9.134 -7.491 -14.288 1.00 34.15 N ATOM 100 CA HIS A 7 -8.695 -8.808 -14.731 1.00 65.00 C ATOM 101 C HIS A 7 -8.992 -9.841 -13.652 1.00 31.54 C ATOM 102 O HIS A 7 -9.249 -9.485 -12.500 1.00 32.25 O ATOM 103 CB HIS A 7 -7.193 -8.818 -15.042 1.00 75.41 C ATOM 104 CG HIS A 7 -6.761 -7.811 -16.065 1.00 10.02 C ATOM 105 ND1 HIS A 7 -7.137 -7.870 -17.387 1.00 55.04 N ATOM 106 CD2 HIS A 7 -5.972 -6.715 -15.951 1.00 53.41 C ATOM 107 CE1 HIS A 7 -6.601 -6.859 -18.041 1.00 63.14 C ATOM 108 NE2 HIS A 7 -5.887 -6.141 -17.194 1.00 43.31 N ATOM 0 H HIS A 7 -8.597 -7.107 -13.511 1.00 34.15 H new ATOM 0 HA HIS A 7 -9.239 -9.055 -15.643 1.00 65.00 H new ATOM 0 HB2 HIS A 7 -6.643 -8.637 -14.119 1.00 75.41 H new ATOM 0 HB3 HIS A 7 -6.914 -9.813 -15.390 1.00 75.41 H new ATOM 0 HD2 HIS A 7 -5.498 -6.359 -15.048 1.00 53.41 H new ATOM 0 HE1 HIS A 7 -6.725 -6.652 -19.094 1.00 63.14 H new ATOM 0 HE2 HIS A 7 -5.360 -5.299 -17.425 1.00 43.31 H new ATOM 117 N HIS A 8 -8.957 -11.110 -14.022 1.00 2.53 N ATOM 118 CA HIS A 8 -9.128 -12.188 -13.061 1.00 24.33 C ATOM 119 C HIS A 8 -7.915 -13.107 -13.106 1.00 4.02 C ATOM 120 O HIS A 8 -7.089 -13.091 -12.193 1.00 64.31 O ATOM 121 CB HIS A 8 -10.411 -12.976 -13.342 1.00 33.11 C ATOM 122 CG HIS A 8 -10.783 -13.934 -12.247 1.00 25.30 C ATOM 123 ND1 HIS A 8 -10.785 -15.301 -12.404 1.00 72.24 N ATOM 124 CD2 HIS A 8 -11.183 -13.705 -10.972 1.00 43.24 C ATOM 125 CE1 HIS A 8 -11.173 -15.871 -11.278 1.00 50.53 C ATOM 126 NE2 HIS A 8 -11.418 -14.926 -10.393 1.00 1.11 N ATOM 0 H HIS A 8 -8.811 -11.420 -14.983 1.00 2.53 H new ATOM 0 HA HIS A 8 -9.216 -11.758 -12.063 1.00 24.33 H new ATOM 0 HB2 HIS A 8 -11.232 -12.275 -13.494 1.00 33.11 H new ATOM 0 HB3 HIS A 8 -10.290 -13.531 -14.272 1.00 33.11 H new ATOM 0 HD2 HIS A 8 -11.296 -12.740 -10.500 1.00 43.24 H new ATOM 0 HE1 HIS A 8 -11.273 -16.933 -11.110 1.00 50.53 H new ATOM 0 HE2 HIS A 8 -11.731 -15.078 -9.434 1.00 1.11 H new ATOM 135 N SER A 9 -7.809 -13.884 -14.188 1.00 33.30 N ATOM 136 CA SER A 9 -6.688 -14.801 -14.388 1.00 71.42 C ATOM 137 C SER A 9 -6.486 -15.704 -13.165 1.00 35.13 C ATOM 138 O SER A 9 -7.427 -15.969 -12.413 1.00 23.52 O ATOM 139 CB SER A 9 -5.416 -13.997 -14.681 1.00 35.33 C ATOM 140 OG SER A 9 -5.593 -13.162 -15.818 1.00 11.02 O ATOM 0 H SER A 9 -8.494 -13.894 -14.944 1.00 33.30 H new ATOM 0 HA SER A 9 -6.911 -15.445 -15.239 1.00 71.42 H new ATOM 0 HB2 SER A 9 -5.158 -13.388 -13.814 1.00 35.33 H new ATOM 0 HB3 SER A 9 -4.582 -14.678 -14.851 1.00 35.33 H new ATOM 0 HG SER A 9 -4.770 -12.658 -15.985 1.00 11.02 H new ATOM 146 N HIS A 10 -5.275 -16.213 -13.003 1.00 23.12 N ATOM 147 CA HIS A 10 -4.900 -16.938 -11.799 1.00 0.24 C ATOM 148 C HIS A 10 -3.594 -16.377 -11.265 1.00 5.11 C ATOM 149 O HIS A 10 -2.510 -16.889 -11.553 1.00 1.30 O ATOM 150 CB HIS A 10 -4.777 -18.440 -12.073 1.00 64.40 C ATOM 151 CG HIS A 10 -6.092 -19.111 -12.307 1.00 31.43 C ATOM 152 ND1 HIS A 10 -6.643 -19.285 -13.559 1.00 33.05 N ATOM 153 CD2 HIS A 10 -6.974 -19.650 -11.436 1.00 14.51 C ATOM 154 CE1 HIS A 10 -7.805 -19.900 -13.445 1.00 55.01 C ATOM 155 NE2 HIS A 10 -8.029 -20.132 -12.167 1.00 15.41 N ATOM 0 H HIS A 10 -4.530 -16.137 -13.696 1.00 23.12 H new ATOM 0 HA HIS A 10 -5.681 -16.809 -11.050 1.00 0.24 H new ATOM 0 HB2 HIS A 10 -4.140 -18.592 -12.944 1.00 64.40 H new ATOM 0 HB3 HIS A 10 -4.280 -18.916 -11.228 1.00 64.40 H new ATOM 0 HD2 HIS A 10 -6.867 -19.693 -10.362 1.00 14.51 H new ATOM 0 HE1 HIS A 10 -8.461 -20.168 -14.260 1.00 55.01 H new ATOM 0 HE2 HIS A 10 -8.853 -20.595 -11.784 1.00 15.41 H new ATOM 164 N GLY A 11 -3.708 -15.293 -10.515 1.00 45.01 N ATOM 165 CA GLY A 11 -2.537 -14.588 -10.051 1.00 43.23 C ATOM 166 C GLY A 11 -2.007 -15.124 -8.743 1.00 4.23 C ATOM 167 O GLY A 11 -2.723 -15.164 -7.741 1.00 12.15 O ATOM 0 H GLY A 11 -4.596 -14.888 -10.219 1.00 45.01 H new ATOM 0 HA2 GLY A 11 -1.756 -14.654 -10.808 1.00 43.23 H new ATOM 0 HA3 GLY A 11 -2.778 -13.532 -9.934 1.00 43.23 H new ATOM 171 N ASP A 12 -0.760 -15.556 -8.762 1.00 61.32 N ATOM 172 CA ASP A 12 -0.075 -16.001 -7.557 1.00 3.44 C ATOM 173 C ASP A 12 1.016 -14.995 -7.207 1.00 10.11 C ATOM 174 O ASP A 12 1.715 -15.118 -6.205 1.00 73.51 O ATOM 175 CB ASP A 12 0.513 -17.400 -7.774 1.00 23.15 C ATOM 176 CG ASP A 12 1.195 -17.965 -6.540 1.00 71.03 C ATOM 177 OD1 ASP A 12 0.519 -18.144 -5.507 1.00 2.10 O ATOM 178 OD2 ASP A 12 2.409 -18.266 -6.611 1.00 74.44 O ATOM 0 H ASP A 12 -0.193 -15.609 -9.608 1.00 61.32 H new ATOM 0 HA ASP A 12 -0.780 -16.060 -6.728 1.00 3.44 H new ATOM 0 HB2 ASP A 12 -0.284 -18.077 -8.082 1.00 23.15 H new ATOM 0 HB3 ASP A 12 1.232 -17.361 -8.592 1.00 23.15 H new ATOM 183 N ASP A 13 1.137 -13.975 -8.044 1.00 14.12 N ATOM 184 CA ASP A 13 2.151 -12.948 -7.871 1.00 15.41 C ATOM 185 C ASP A 13 1.517 -11.653 -7.384 1.00 10.13 C ATOM 186 O ASP A 13 0.321 -11.442 -7.570 1.00 22.52 O ATOM 187 CB ASP A 13 2.890 -12.704 -9.192 1.00 43.13 C ATOM 188 CG ASP A 13 2.000 -12.108 -10.269 1.00 50.02 C ATOM 189 OD1 ASP A 13 1.160 -12.843 -10.837 1.00 23.44 O ATOM 190 OD2 ASP A 13 2.141 -10.901 -10.564 1.00 53.44 O ATOM 0 H ASP A 13 0.538 -13.837 -8.858 1.00 14.12 H new ATOM 0 HA ASP A 13 2.866 -13.291 -7.124 1.00 15.41 H new ATOM 0 HB2 ASP A 13 3.732 -12.035 -9.013 1.00 43.13 H new ATOM 0 HB3 ASP A 13 3.303 -13.647 -9.550 1.00 43.13 H new ATOM 195 N SER A 14 2.339 -10.816 -6.745 1.00 4.42 N ATOM 196 CA SER A 14 1.941 -9.495 -6.226 1.00 10.31 C ATOM 197 C SER A 14 0.850 -9.584 -5.149 1.00 22.54 C ATOM 198 O SER A 14 0.229 -10.629 -4.946 1.00 73.02 O ATOM 199 CB SER A 14 1.521 -8.535 -7.361 1.00 55.45 C ATOM 200 OG SER A 14 0.324 -8.945 -8.006 1.00 33.02 O ATOM 0 H SER A 14 3.319 -11.037 -6.568 1.00 4.42 H new ATOM 0 HA SER A 14 2.828 -9.081 -5.746 1.00 10.31 H new ATOM 0 HB2 SER A 14 1.385 -7.533 -6.953 1.00 55.45 H new ATOM 0 HB3 SER A 14 2.323 -8.474 -8.096 1.00 55.45 H new ATOM 0 HG SER A 14 0.042 -9.814 -7.651 1.00 33.02 H new ATOM 206 N VAL A 15 0.650 -8.482 -4.433 1.00 21.01 N ATOM 207 CA VAL A 15 -0.359 -8.421 -3.384 1.00 63.02 C ATOM 208 C VAL A 15 -1.315 -7.253 -3.622 1.00 5.31 C ATOM 209 O VAL A 15 -0.916 -6.198 -4.122 1.00 32.33 O ATOM 210 CB VAL A 15 0.273 -8.289 -1.975 1.00 60.24 C ATOM 211 CG1 VAL A 15 1.084 -9.529 -1.630 1.00 21.35 C ATOM 212 CG2 VAL A 15 1.141 -7.041 -1.878 1.00 33.24 C ATOM 0 H VAL A 15 1.176 -7.617 -4.562 1.00 21.01 H new ATOM 0 HA VAL A 15 -0.911 -9.360 -3.423 1.00 63.02 H new ATOM 0 HB VAL A 15 -0.538 -8.195 -1.253 1.00 60.24 H new ATOM 0 HG11 VAL A 15 1.519 -9.415 -0.637 1.00 21.35 H new ATOM 0 HG12 VAL A 15 0.434 -10.404 -1.643 1.00 21.35 H new ATOM 0 HG13 VAL A 15 1.881 -9.658 -2.362 1.00 21.35 H new ATOM 0 HG21 VAL A 15 1.571 -6.974 -0.879 1.00 33.24 H new ATOM 0 HG22 VAL A 15 1.942 -7.097 -2.615 1.00 33.24 H new ATOM 0 HG23 VAL A 15 0.532 -6.158 -2.070 1.00 33.24 H new ATOM 222 N HIS A 16 -2.583 -7.460 -3.291 1.00 64.34 N ATOM 223 CA HIS A 16 -3.596 -6.425 -3.447 1.00 21.13 C ATOM 224 C HIS A 16 -3.758 -5.618 -2.170 1.00 72.32 C ATOM 225 O HIS A 16 -4.260 -6.115 -1.162 1.00 11.31 O ATOM 226 CB HIS A 16 -4.945 -7.030 -3.848 1.00 43.40 C ATOM 227 CG HIS A 16 -5.045 -7.353 -5.305 1.00 53.34 C ATOM 228 ND1 HIS A 16 -5.670 -8.482 -5.796 1.00 11.31 N ATOM 229 CD2 HIS A 16 -4.611 -6.669 -6.387 1.00 71.35 C ATOM 230 CE1 HIS A 16 -5.612 -8.474 -7.115 1.00 61.32 C ATOM 231 NE2 HIS A 16 -4.974 -7.381 -7.500 1.00 23.43 N ATOM 0 H HIS A 16 -2.935 -8.339 -2.911 1.00 64.34 H new ATOM 0 HA HIS A 16 -3.258 -5.760 -4.241 1.00 21.13 H new ATOM 0 HB2 HIS A 16 -5.113 -7.939 -3.270 1.00 43.40 H new ATOM 0 HB3 HIS A 16 -5.740 -6.333 -3.583 1.00 43.40 H new ATOM 0 HD2 HIS A 16 -4.075 -5.731 -6.376 1.00 71.35 H new ATOM 0 HE1 HIS A 16 -6.017 -9.232 -7.769 1.00 61.32 H new ATOM 0 HE2 HIS A 16 -4.784 -7.113 -8.466 1.00 23.43 H new ATOM 240 N LEU A 17 -3.329 -4.370 -2.221 1.00 3.22 N ATOM 241 CA LEU A 17 -3.474 -3.466 -1.094 1.00 34.42 C ATOM 242 C LEU A 17 -4.532 -2.419 -1.410 1.00 33.24 C ATOM 243 O LEU A 17 -4.600 -1.915 -2.532 1.00 31.41 O ATOM 244 CB LEU A 17 -2.138 -2.793 -0.773 1.00 64.34 C ATOM 245 CG LEU A 17 -0.997 -3.751 -0.408 1.00 62.52 C ATOM 246 CD1 LEU A 17 0.290 -2.982 -0.154 1.00 22.21 C ATOM 247 CD2 LEU A 17 -1.364 -4.578 0.815 1.00 64.34 C ATOM 0 H LEU A 17 -2.875 -3.957 -3.036 1.00 3.22 H new ATOM 0 HA LEU A 17 -3.788 -4.037 -0.220 1.00 34.42 H new ATOM 0 HB2 LEU A 17 -1.832 -2.200 -1.635 1.00 64.34 H new ATOM 0 HB3 LEU A 17 -2.288 -2.100 0.054 1.00 64.34 H new ATOM 0 HG LEU A 17 -0.838 -4.425 -1.250 1.00 62.52 H new ATOM 0 HD11 LEU A 17 1.086 -3.680 0.103 1.00 22.21 H new ATOM 0 HD12 LEU A 17 0.567 -2.430 -1.052 1.00 22.21 H new ATOM 0 HD13 LEU A 17 0.140 -2.283 0.669 1.00 22.21 H new ATOM 0 HD21 LEU A 17 -0.542 -5.252 1.059 1.00 64.34 H new ATOM 0 HD22 LEU A 17 -1.552 -3.915 1.659 1.00 64.34 H new ATOM 0 HD23 LEU A 17 -2.261 -5.161 0.604 1.00 64.34 H new ATOM 259 N HIS A 18 -5.361 -2.101 -0.428 1.00 54.23 N ATOM 260 CA HIS A 18 -6.464 -1.173 -0.647 1.00 12.43 C ATOM 261 C HIS A 18 -6.040 0.241 -0.289 1.00 74.21 C ATOM 262 O HIS A 18 -6.028 0.613 0.882 1.00 75.44 O ATOM 263 CB HIS A 18 -7.689 -1.574 0.180 1.00 1.35 C ATOM 264 CG HIS A 18 -8.138 -2.986 -0.044 1.00 65.31 C ATOM 265 ND1 HIS A 18 -8.871 -3.381 -1.140 1.00 34.12 N ATOM 266 CD2 HIS A 18 -7.934 -4.103 0.690 1.00 2.05 C ATOM 267 CE1 HIS A 18 -9.099 -4.679 -1.068 1.00 52.22 C ATOM 268 NE2 HIS A 18 -8.540 -5.140 0.032 1.00 62.13 N ATOM 0 H HIS A 18 -5.294 -2.467 0.522 1.00 54.23 H new ATOM 0 HA HIS A 18 -6.733 -1.210 -1.703 1.00 12.43 H new ATOM 0 HB2 HIS A 18 -7.461 -1.439 1.237 1.00 1.35 H new ATOM 0 HB3 HIS A 18 -8.512 -0.900 -0.057 1.00 1.35 H new ATOM 0 HD2 HIS A 18 -7.393 -4.166 1.623 1.00 2.05 H new ATOM 0 HE1 HIS A 18 -9.651 -5.264 -1.789 1.00 52.22 H new ATOM 0 HE2 HIS A 18 -8.556 -6.111 0.343 1.00 62.13 H new ATOM 277 N ILE A 19 -5.675 1.016 -1.295 1.00 35.15 N ATOM 278 CA ILE A 19 -5.209 2.379 -1.075 1.00 53.04 C ATOM 279 C ILE A 19 -6.387 3.335 -0.899 1.00 11.31 C ATOM 280 O ILE A 19 -7.350 3.294 -1.670 1.00 70.44 O ATOM 281 CB ILE A 19 -4.331 2.864 -2.249 1.00 30.50 C ATOM 282 CG1 ILE A 19 -3.193 1.870 -2.502 1.00 64.21 C ATOM 283 CG2 ILE A 19 -3.775 4.256 -1.964 1.00 43.14 C ATOM 284 CD1 ILE A 19 -2.333 2.225 -3.695 1.00 43.34 C ATOM 0 H ILE A 19 -5.691 0.727 -2.273 1.00 35.15 H new ATOM 0 HA ILE A 19 -4.611 2.374 -0.164 1.00 53.04 H new ATOM 0 HB ILE A 19 -4.948 2.922 -3.145 1.00 30.50 H new ATOM 0 HG12 ILE A 19 -2.564 1.817 -1.614 1.00 64.21 H new ATOM 0 HG13 ILE A 19 -3.616 0.877 -2.652 1.00 64.21 H new ATOM 0 HG21 ILE A 19 -3.159 4.580 -2.803 1.00 43.14 H new ATOM 0 HG22 ILE A 19 -4.599 4.956 -1.827 1.00 43.14 H new ATOM 0 HG23 ILE A 19 -3.169 4.227 -1.058 1.00 43.14 H new ATOM 0 HD11 ILE A 19 -1.548 1.478 -3.813 1.00 43.34 H new ATOM 0 HD12 ILE A 19 -2.949 2.249 -4.594 1.00 43.34 H new ATOM 0 HD13 ILE A 19 -1.881 3.204 -3.539 1.00 43.34 H new ATOM 296 N THR A 20 -6.315 4.178 0.128 1.00 23.35 N ATOM 297 CA THR A 20 -7.326 5.195 0.370 1.00 41.50 C ATOM 298 C THR A 20 -6.666 6.500 0.821 1.00 54.53 C ATOM 299 O THR A 20 -5.860 6.508 1.752 1.00 22.33 O ATOM 300 CB THR A 20 -8.332 4.736 1.446 1.00 41.20 C ATOM 301 OG1 THR A 20 -8.794 3.411 1.145 1.00 3.43 O ATOM 302 CG2 THR A 20 -9.523 5.683 1.518 1.00 31.22 C ATOM 0 H THR A 20 -5.557 4.173 0.811 1.00 23.35 H new ATOM 0 HA THR A 20 -7.863 5.358 -0.564 1.00 41.50 H new ATOM 0 HB THR A 20 -7.825 4.741 2.411 1.00 41.20 H new ATOM 0 HG1 THR A 20 -9.370 3.438 0.353 1.00 3.43 H new ATOM 0 HG21 THR A 20 -10.217 5.337 2.284 1.00 31.22 H new ATOM 0 HG22 THR A 20 -9.176 6.685 1.769 1.00 31.22 H new ATOM 0 HG23 THR A 20 -10.029 5.705 0.553 1.00 31.22 H new ATOM 310 N HIS A 21 -7.000 7.597 0.153 1.00 60.00 N ATOM 311 CA HIS A 21 -6.446 8.904 0.492 1.00 53.44 C ATOM 312 C HIS A 21 -7.298 9.541 1.588 1.00 3.33 C ATOM 313 O HIS A 21 -8.499 9.287 1.653 1.00 50.01 O ATOM 314 CB HIS A 21 -6.413 9.794 -0.755 1.00 33.01 C ATOM 315 CG HIS A 21 -5.199 10.669 -0.856 1.00 2.43 C ATOM 316 ND1 HIS A 21 -3.912 10.443 -0.499 1.00 11.24 N flip ATOM 317 CD2 HIS A 21 -5.223 11.931 -1.406 1.00 2.41 C flip ATOM 318 CE1 HIS A 21 -3.192 11.560 -0.840 1.00 12.55 C flip ATOM 319 NE2 HIS A 21 -4.008 12.440 -1.386 1.00 2.25 N flip ATOM 0 H HIS A 21 -7.654 7.608 -0.630 1.00 60.00 H new ATOM 0 HA HIS A 21 -5.426 8.790 0.858 1.00 53.44 H new ATOM 0 HB2 HIS A 21 -6.465 9.161 -1.641 1.00 33.01 H new ATOM 0 HB3 HIS A 21 -7.302 10.424 -0.761 1.00 33.01 H new ATOM 0 HD2 HIS A 21 -6.101 12.426 -1.793 1.00 2.41 H new ATOM 0 HE1 HIS A 21 -2.132 11.696 -0.686 1.00 12.55 H new ATOM 0 HE2 HIS A 21 -3.743 13.361 -1.735 1.00 2.25 H new ATOM 328 N ALA A 22 -6.685 10.356 2.445 1.00 22.31 N ATOM 329 CA ALA A 22 -7.373 10.900 3.623 1.00 61.45 C ATOM 330 C ALA A 22 -8.582 11.764 3.254 1.00 51.41 C ATOM 331 O ALA A 22 -9.654 11.622 3.844 1.00 24.14 O ATOM 332 CB ALA A 22 -6.404 11.700 4.479 1.00 42.22 C ATOM 0 H ALA A 22 -5.715 10.656 2.349 1.00 22.31 H new ATOM 0 HA ALA A 22 -7.747 10.048 4.191 1.00 61.45 H new ATOM 0 HB1 ALA A 22 -6.929 12.097 5.348 1.00 42.22 H new ATOM 0 HB2 ALA A 22 -5.591 11.053 4.810 1.00 42.22 H new ATOM 0 HB3 ALA A 22 -5.997 12.524 3.894 1.00 42.22 H new ATOM 338 N ASN A 23 -8.409 12.651 2.282 1.00 43.42 N ATOM 339 CA ASN A 23 -9.471 13.575 1.886 1.00 4.22 C ATOM 340 C ASN A 23 -10.457 12.897 0.930 1.00 24.23 C ATOM 341 O ASN A 23 -11.541 13.415 0.657 1.00 45.42 O ATOM 342 CB ASN A 23 -8.857 14.827 1.240 1.00 54.21 C ATOM 343 CG ASN A 23 -9.883 15.901 0.910 1.00 72.21 C ATOM 344 OD1 ASN A 23 -10.436 15.931 -0.189 1.00 53.25 O ATOM 345 ND2 ASN A 23 -10.138 16.790 1.856 1.00 73.04 N ATOM 0 H ASN A 23 -7.544 12.752 1.751 1.00 43.42 H new ATOM 0 HA ASN A 23 -10.025 13.874 2.776 1.00 4.22 H new ATOM 0 HB2 ASN A 23 -8.109 15.245 1.914 1.00 54.21 H new ATOM 0 HB3 ASN A 23 -8.338 14.538 0.326 1.00 54.21 H new ATOM 0 HD21 ASN A 23 -10.814 17.535 1.687 1.00 73.04 H new ATOM 0 HD22 ASN A 23 -9.658 16.731 2.754 1.00 73.04 H new ATOM 352 N LEU A 24 -10.086 11.721 0.442 1.00 15.41 N ATOM 353 CA LEU A 24 -10.932 10.982 -0.482 1.00 0.50 C ATOM 354 C LEU A 24 -11.812 9.994 0.265 1.00 62.32 C ATOM 355 O LEU A 24 -11.322 9.039 0.874 1.00 62.23 O ATOM 356 CB LEU A 24 -10.088 10.254 -1.531 1.00 50.25 C ATOM 357 CG LEU A 24 -9.380 11.165 -2.536 1.00 63.42 C ATOM 358 CD1 LEU A 24 -8.591 10.343 -3.540 1.00 70.44 C ATOM 359 CD2 LEU A 24 -10.387 12.062 -3.249 1.00 24.12 C ATOM 0 H LEU A 24 -9.206 11.260 0.671 1.00 15.41 H new ATOM 0 HA LEU A 24 -11.574 11.698 -0.994 1.00 0.50 H new ATOM 0 HB2 LEU A 24 -9.338 9.652 -1.018 1.00 50.25 H new ATOM 0 HB3 LEU A 24 -10.731 9.565 -2.078 1.00 50.25 H new ATOM 0 HG LEU A 24 -8.682 11.800 -1.990 1.00 63.42 H new ATOM 0 HD11 LEU A 24 -8.095 11.009 -4.246 1.00 70.44 H new ATOM 0 HD12 LEU A 24 -7.843 9.748 -3.016 1.00 70.44 H new ATOM 0 HD13 LEU A 24 -9.268 9.681 -4.080 1.00 70.44 H new ATOM 0 HD21 LEU A 24 -9.865 12.702 -3.960 1.00 24.12 H new ATOM 0 HD22 LEU A 24 -11.111 11.445 -3.781 1.00 24.12 H new ATOM 0 HD23 LEU A 24 -10.906 12.680 -2.517 1.00 24.12 H new ATOM 371 N LYS A 25 -13.112 10.240 0.231 1.00 53.45 N ATOM 372 CA LYS A 25 -14.076 9.369 0.884 1.00 2.12 C ATOM 373 C LYS A 25 -14.207 8.058 0.112 1.00 72.15 C ATOM 374 O LYS A 25 -14.056 6.976 0.674 1.00 11.55 O ATOM 375 CB LYS A 25 -15.436 10.061 0.978 1.00 30.44 C ATOM 376 CG LYS A 25 -16.435 9.337 1.864 1.00 32.12 C ATOM 377 CD LYS A 25 -15.984 9.333 3.316 1.00 72.14 C ATOM 378 CE LYS A 25 -16.998 8.646 4.213 1.00 33.32 C ATOM 379 NZ LYS A 25 -16.606 8.704 5.646 1.00 2.24 N ATOM 0 H LYS A 25 -13.526 11.041 -0.245 1.00 53.45 H new ATOM 0 HA LYS A 25 -13.723 9.151 1.892 1.00 2.12 H new ATOM 0 HB2 LYS A 25 -15.293 11.072 1.360 1.00 30.44 H new ATOM 0 HB3 LYS A 25 -15.855 10.155 -0.024 1.00 30.44 H new ATOM 0 HG2 LYS A 25 -17.410 9.818 1.785 1.00 32.12 H new ATOM 0 HG3 LYS A 25 -16.557 8.311 1.516 1.00 32.12 H new ATOM 0 HD2 LYS A 25 -15.022 8.826 3.398 1.00 72.14 H new ATOM 0 HD3 LYS A 25 -15.834 10.358 3.654 1.00 72.14 H new ATOM 0 HE2 LYS A 25 -17.973 9.117 4.085 1.00 33.32 H new ATOM 0 HE3 LYS A 25 -17.104 7.605 3.908 1.00 33.32 H new ATOM 0 HZ1 LYS A 25 -17.326 8.223 6.223 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 -15.688 8.232 5.774 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 -16.530 9.697 5.945 1.00 2.24 H new ATOM 393 N SER A 26 -14.487 8.164 -1.181 1.00 73.01 N ATOM 394 CA SER A 26 -14.602 6.990 -2.029 1.00 75.14 C ATOM 395 C SER A 26 -13.298 6.771 -2.785 1.00 54.31 C ATOM 396 O SER A 26 -13.049 7.408 -3.815 1.00 32.04 O ATOM 397 CB SER A 26 -15.770 7.140 -3.010 1.00 20.11 C ATOM 398 OG SER A 26 -16.008 5.935 -3.727 1.00 11.21 O ATOM 0 H SER A 26 -14.638 9.051 -1.662 1.00 73.01 H new ATOM 0 HA SER A 26 -14.799 6.122 -1.400 1.00 75.14 H new ATOM 0 HB2 SER A 26 -16.670 7.424 -2.465 1.00 20.11 H new ATOM 0 HB3 SER A 26 -15.555 7.946 -3.712 1.00 20.11 H new ATOM 0 HG SER A 26 -16.760 6.064 -4.343 1.00 11.21 H new ATOM 404 N PHE A 27 -12.452 5.908 -2.243 1.00 62.03 N ATOM 405 CA PHE A 27 -11.202 5.557 -2.893 1.00 51.01 C ATOM 406 C PHE A 27 -10.778 4.154 -2.474 1.00 73.42 C ATOM 407 O PHE A 27 -10.437 3.914 -1.317 1.00 51.45 O ATOM 408 CB PHE A 27 -10.112 6.576 -2.549 1.00 21.01 C ATOM 409 CG PHE A 27 -8.910 6.495 -3.444 1.00 71.23 C ATOM 410 CD1 PHE A 27 -9.015 6.802 -4.792 1.00 74.22 C ATOM 411 CD2 PHE A 27 -7.675 6.121 -2.942 1.00 10.41 C ATOM 412 CE1 PHE A 27 -7.910 6.734 -5.621 1.00 73.41 C ATOM 413 CE2 PHE A 27 -6.569 6.052 -3.765 1.00 64.15 C ATOM 414 CZ PHE A 27 -6.685 6.359 -5.105 1.00 70.11 C ATOM 0 H PHE A 27 -12.611 5.438 -1.352 1.00 62.03 H new ATOM 0 HA PHE A 27 -11.349 5.572 -3.973 1.00 51.01 H new ATOM 0 HB2 PHE A 27 -10.533 7.580 -2.609 1.00 21.01 H new ATOM 0 HB3 PHE A 27 -9.797 6.424 -1.517 1.00 21.01 H new ATOM 0 HD1 PHE A 27 -9.971 7.098 -5.199 1.00 74.22 H new ATOM 0 HD2 PHE A 27 -7.576 5.880 -1.894 1.00 10.41 H new ATOM 0 HE1 PHE A 27 -8.005 6.974 -6.670 1.00 73.41 H new ATOM 0 HE2 PHE A 27 -5.612 5.758 -3.360 1.00 64.15 H new ATOM 0 HZ PHE A 27 -5.820 6.306 -5.749 1.00 70.11 H new ATOM 424 N SER A 28 -10.838 3.230 -3.415 1.00 43.10 N ATOM 425 CA SER A 28 -10.486 1.844 -3.156 1.00 24.32 C ATOM 426 C SER A 28 -9.779 1.262 -4.374 1.00 20.43 C ATOM 427 O SER A 28 -10.251 0.302 -4.988 1.00 42.51 O ATOM 428 CB SER A 28 -11.743 1.034 -2.831 1.00 54.25 C ATOM 429 OG SER A 28 -12.469 1.624 -1.763 1.00 31.44 O ATOM 0 H SER A 28 -11.130 3.416 -4.375 1.00 43.10 H new ATOM 0 HA SER A 28 -9.814 1.796 -2.299 1.00 24.32 H new ATOM 0 HB2 SER A 28 -12.377 0.971 -3.715 1.00 54.25 H new ATOM 0 HB3 SER A 28 -11.464 0.014 -2.566 1.00 54.25 H new ATOM 0 HG SER A 28 -13.268 1.089 -1.576 1.00 31.44 H new ATOM 435 N ALA A 29 -8.646 1.857 -4.721 1.00 2.13 N ATOM 436 CA ALA A 29 -7.910 1.475 -5.915 1.00 21.42 C ATOM 437 C ALA A 29 -7.335 0.068 -5.789 1.00 0.31 C ATOM 438 O ALA A 29 -6.537 -0.209 -4.892 1.00 13.01 O ATOM 439 CB ALA A 29 -6.800 2.475 -6.192 1.00 3.22 C ATOM 0 H ALA A 29 -8.215 2.612 -4.187 1.00 2.13 H new ATOM 0 HA ALA A 29 -8.608 1.477 -6.752 1.00 21.42 H new ATOM 0 HB1 ALA A 29 -6.257 2.177 -7.089 1.00 3.22 H new ATOM 0 HB2 ALA A 29 -7.231 3.465 -6.341 1.00 3.22 H new ATOM 0 HB3 ALA A 29 -6.115 2.502 -5.345 1.00 3.22 H new ATOM 445 N ASP A 30 -7.760 -0.815 -6.681 1.00 31.13 N ATOM 446 CA ASP A 30 -7.220 -2.170 -6.742 1.00 1.43 C ATOM 447 C ASP A 30 -5.836 -2.150 -7.368 1.00 12.41 C ATOM 448 O ASP A 30 -5.692 -2.090 -8.593 1.00 71.02 O ATOM 449 CB ASP A 30 -8.151 -3.088 -7.546 1.00 63.31 C ATOM 450 CG ASP A 30 -7.555 -4.465 -7.782 1.00 24.24 C ATOM 451 OD1 ASP A 30 -7.463 -5.251 -6.818 1.00 53.34 O ATOM 452 OD2 ASP A 30 -7.186 -4.771 -8.939 1.00 74.31 O ATOM 0 H ASP A 30 -8.480 -0.618 -7.376 1.00 31.13 H new ATOM 0 HA ASP A 30 -7.146 -2.560 -5.727 1.00 1.43 H new ATOM 0 HB2 ASP A 30 -9.098 -3.192 -7.016 1.00 63.31 H new ATOM 0 HB3 ASP A 30 -8.373 -2.623 -8.507 1.00 63.31 H new ATOM 457 N ALA A 31 -4.818 -2.153 -6.529 1.00 75.45 N ATOM 458 CA ALA A 31 -3.448 -2.109 -7.000 1.00 40.31 C ATOM 459 C ALA A 31 -2.679 -3.326 -6.522 1.00 54.43 C ATOM 460 O ALA A 31 -2.900 -3.816 -5.412 1.00 63.41 O ATOM 461 CB ALA A 31 -2.768 -0.830 -6.532 1.00 14.23 C ATOM 0 H ALA A 31 -4.915 -2.186 -5.514 1.00 75.45 H new ATOM 0 HA ALA A 31 -3.458 -2.118 -8.090 1.00 40.31 H new ATOM 0 HB1 ALA A 31 -1.740 -0.811 -6.893 1.00 14.23 H new ATOM 0 HB2 ALA A 31 -3.306 0.033 -6.924 1.00 14.23 H new ATOM 0 HB3 ALA A 31 -2.770 -0.794 -5.443 1.00 14.23 H new ATOM 467 N ARG A 32 -1.786 -3.820 -7.363 1.00 30.40 N ATOM 468 CA ARG A 32 -0.973 -4.971 -7.017 1.00 51.03 C ATOM 469 C ARG A 32 0.494 -4.567 -6.887 1.00 22.13 C ATOM 470 O ARG A 32 1.146 -4.193 -7.863 1.00 40.03 O ATOM 471 CB ARG A 32 -1.148 -6.098 -8.045 1.00 1.31 C ATOM 472 CG ARG A 32 -0.788 -5.722 -9.474 1.00 33.23 C ATOM 473 CD ARG A 32 -0.831 -6.932 -10.394 1.00 52.33 C ATOM 474 NE ARG A 32 -0.461 -6.598 -11.767 1.00 15.15 N ATOM 475 CZ ARG A 32 0.257 -7.397 -12.557 1.00 55.33 C ATOM 476 NH1 ARG A 32 0.704 -8.561 -12.098 1.00 14.24 N ATOM 477 NH2 ARG A 32 0.535 -7.031 -13.802 1.00 5.05 N ATOM 0 H ARG A 32 -1.606 -3.440 -8.292 1.00 30.40 H new ATOM 0 HA ARG A 32 -1.309 -5.351 -6.052 1.00 51.03 H new ATOM 0 HB2 ARG A 32 -0.533 -6.945 -7.742 1.00 1.31 H new ATOM 0 HB3 ARG A 32 -2.185 -6.433 -8.023 1.00 1.31 H new ATOM 0 HG2 ARG A 32 -1.480 -4.962 -9.837 1.00 33.23 H new ATOM 0 HG3 ARG A 32 0.209 -5.282 -9.496 1.00 33.23 H new ATOM 0 HD2 ARG A 32 -0.155 -7.699 -10.014 1.00 52.33 H new ATOM 0 HD3 ARG A 32 -1.834 -7.358 -10.384 1.00 52.33 H new ATOM 0 HE ARG A 32 -0.770 -5.702 -12.143 1.00 15.15 H new ATOM 0 HH11 ARG A 32 0.498 -8.845 -11.140 1.00 14.24 H new ATOM 0 HH12 ARG A 32 1.253 -9.171 -12.704 1.00 14.24 H new ATOM 0 HH21 ARG A 32 0.199 -6.136 -14.157 1.00 5.05 H new ATOM 0 HH22 ARG A 32 1.085 -7.645 -14.403 1.00 5.05 H new ATOM 491 N PHE A 33 0.994 -4.619 -5.665 1.00 50.41 N ATOM 492 CA PHE A 33 2.382 -4.281 -5.392 1.00 23.33 C ATOM 493 C PHE A 33 3.182 -5.546 -5.137 1.00 22.22 C ATOM 494 O PHE A 33 2.612 -6.613 -4.910 1.00 30.14 O ATOM 495 CB PHE A 33 2.491 -3.347 -4.184 1.00 73.21 C ATOM 496 CG PHE A 33 1.866 -1.999 -4.400 1.00 12.15 C ATOM 497 CD1 PHE A 33 2.577 -0.987 -5.025 1.00 42.12 C ATOM 498 CD2 PHE A 33 0.573 -1.739 -3.972 1.00 60.13 C ATOM 499 CE1 PHE A 33 2.009 0.257 -5.222 1.00 73.02 C ATOM 500 CE2 PHE A 33 0.001 -0.497 -4.168 1.00 63.24 C ATOM 501 CZ PHE A 33 0.720 0.502 -4.795 1.00 15.44 C ATOM 0 H PHE A 33 0.458 -4.893 -4.842 1.00 50.41 H new ATOM 0 HA PHE A 33 2.785 -3.765 -6.263 1.00 23.33 H new ATOM 0 HB2 PHE A 33 2.018 -3.823 -3.325 1.00 73.21 H new ATOM 0 HB3 PHE A 33 3.544 -3.213 -3.934 1.00 73.21 H new ATOM 0 HD1 PHE A 33 3.586 -1.173 -5.362 1.00 42.12 H new ATOM 0 HD2 PHE A 33 0.007 -2.516 -3.480 1.00 60.13 H new ATOM 0 HE1 PHE A 33 2.574 1.037 -5.710 1.00 73.02 H new ATOM 0 HE2 PHE A 33 -1.007 -0.307 -3.831 1.00 63.24 H new ATOM 0 HZ PHE A 33 0.274 1.473 -4.951 1.00 15.44 H new ATOM 511 N SER A 34 4.497 -5.432 -5.177 1.00 22.11 N ATOM 512 CA SER A 34 5.357 -6.563 -4.907 1.00 50.41 C ATOM 513 C SER A 34 5.631 -6.669 -3.406 1.00 34.14 C ATOM 514 O SER A 34 5.711 -5.658 -2.708 1.00 72.42 O ATOM 515 CB SER A 34 6.659 -6.425 -5.699 1.00 33.20 C ATOM 516 OG SER A 34 7.210 -5.128 -5.551 1.00 72.21 O ATOM 0 H SER A 34 4.990 -4.566 -5.394 1.00 22.11 H new ATOM 0 HA SER A 34 4.860 -7.480 -5.223 1.00 50.41 H new ATOM 0 HB2 SER A 34 7.377 -7.170 -5.357 1.00 33.20 H new ATOM 0 HB3 SER A 34 6.470 -6.625 -6.754 1.00 33.20 H new ATOM 0 HG SER A 34 8.042 -5.065 -6.065 1.00 72.21 H new ATOM 522 N PRO A 35 5.774 -7.898 -2.891 1.00 10.21 N ATOM 523 CA PRO A 35 6.022 -8.146 -1.462 1.00 33.11 C ATOM 524 C PRO A 35 7.408 -7.677 -1.010 1.00 13.13 C ATOM 525 O PRO A 35 7.792 -7.858 0.147 1.00 51.42 O ATOM 526 CB PRO A 35 5.907 -9.670 -1.340 1.00 24.12 C ATOM 527 CG PRO A 35 6.202 -10.188 -2.704 1.00 44.44 C ATOM 528 CD PRO A 35 5.682 -9.154 -3.658 1.00 4.33 C ATOM 0 HA PRO A 35 5.323 -7.597 -0.831 1.00 33.11 H new ATOM 0 HB2 PRO A 35 6.613 -10.062 -0.608 1.00 24.12 H new ATOM 0 HB3 PRO A 35 4.910 -9.966 -1.012 1.00 24.12 H new ATOM 0 HG2 PRO A 35 7.272 -10.342 -2.840 1.00 44.44 H new ATOM 0 HG3 PRO A 35 5.718 -11.151 -2.869 1.00 44.44 H new ATOM 0 HD2 PRO A 35 6.279 -9.112 -4.569 1.00 4.33 H new ATOM 0 HD3 PRO A 35 4.656 -9.366 -3.959 1.00 4.33 H new ATOM 536 N GLN A 36 8.147 -7.061 -1.924 1.00 2.12 N ATOM 537 CA GLN A 36 9.504 -6.608 -1.646 1.00 31.42 C ATOM 538 C GLN A 36 9.514 -5.123 -1.294 1.00 44.25 C ATOM 539 O GLN A 36 10.571 -4.527 -1.101 1.00 4.23 O ATOM 540 CB GLN A 36 10.394 -6.853 -2.864 1.00 13.50 C ATOM 541 CG GLN A 36 10.411 -8.301 -3.327 1.00 63.32 C ATOM 542 CD GLN A 36 11.178 -8.484 -4.619 1.00 52.41 C ATOM 543 OE1 GLN A 36 12.383 -8.729 -4.613 1.00 62.15 O ATOM 544 NE2 GLN A 36 10.484 -8.368 -5.741 1.00 14.42 N ATOM 0 H GLN A 36 7.826 -6.862 -2.872 1.00 2.12 H new ATOM 0 HA GLN A 36 9.888 -7.172 -0.796 1.00 31.42 H new ATOM 0 HB2 GLN A 36 10.053 -6.222 -3.685 1.00 13.50 H new ATOM 0 HB3 GLN A 36 11.412 -6.545 -2.627 1.00 13.50 H new ATOM 0 HG2 GLN A 36 10.858 -8.923 -2.551 1.00 63.32 H new ATOM 0 HG3 GLN A 36 9.387 -8.648 -3.463 1.00 63.32 H new ATOM 0 HE21 GLN A 36 9.485 -8.164 -5.704 1.00 14.42 H new ATOM 0 HE22 GLN A 36 10.948 -8.483 -6.642 1.00 14.42 H new ATOM 553 N MET A 37 8.330 -4.533 -1.211 1.00 31.44 N ATOM 554 CA MET A 37 8.207 -3.109 -0.940 1.00 73.02 C ATOM 555 C MET A 37 8.304 -2.819 0.553 1.00 34.53 C ATOM 556 O MET A 37 7.432 -3.207 1.333 1.00 53.23 O ATOM 557 CB MET A 37 6.886 -2.570 -1.495 1.00 74.13 C ATOM 558 CG MET A 37 6.713 -1.075 -1.289 1.00 71.55 C ATOM 559 SD MET A 37 5.147 -0.458 -1.933 1.00 14.42 S ATOM 560 CE MET A 37 3.981 -1.340 -0.897 1.00 65.20 C ATOM 0 H MET A 37 7.441 -5.019 -1.328 1.00 31.44 H new ATOM 0 HA MET A 37 9.034 -2.604 -1.439 1.00 73.02 H new ATOM 0 HB2 MET A 37 6.830 -2.792 -2.561 1.00 74.13 H new ATOM 0 HB3 MET A 37 6.058 -3.094 -1.017 1.00 74.13 H new ATOM 0 HG2 MET A 37 6.777 -0.850 -0.224 1.00 71.55 H new ATOM 0 HG3 MET A 37 7.534 -0.548 -1.776 1.00 71.55 H new ATOM 0 HE1 MET A 37 3.014 -0.837 -0.928 1.00 65.20 H new ATOM 0 HE2 MET A 37 3.870 -2.361 -1.262 1.00 65.20 H new ATOM 0 HE3 MET A 37 4.348 -1.359 0.129 1.00 65.20 H new ATOM 570 N SER A 38 9.388 -2.165 0.941 1.00 65.35 N ATOM 571 CA SER A 38 9.547 -1.676 2.297 1.00 54.10 C ATOM 572 C SER A 38 9.069 -0.227 2.366 1.00 12.34 C ATOM 573 O SER A 38 9.281 0.544 1.426 1.00 42.15 O ATOM 574 CB SER A 38 11.016 -1.774 2.710 1.00 12.31 C ATOM 575 OG SER A 38 11.541 -3.058 2.420 1.00 34.14 O ATOM 0 H SER A 38 10.176 -1.960 0.327 1.00 65.35 H new ATOM 0 HA SER A 38 8.952 -2.281 2.982 1.00 54.10 H new ATOM 0 HB2 SER A 38 11.596 -1.014 2.187 1.00 12.31 H new ATOM 0 HB3 SER A 38 11.112 -1.570 3.777 1.00 12.31 H new ATOM 0 HG SER A 38 12.482 -3.096 2.691 1.00 34.14 H new ATOM 581 N VAL A 39 8.422 0.149 3.465 1.00 20.43 N ATOM 582 CA VAL A 39 7.807 1.473 3.569 1.00 45.32 C ATOM 583 C VAL A 39 8.850 2.597 3.528 1.00 10.11 C ATOM 584 O VAL A 39 8.593 3.660 2.975 1.00 64.02 O ATOM 585 CB VAL A 39 6.929 1.605 4.836 1.00 20.13 C ATOM 586 CG1 VAL A 39 6.213 2.949 4.869 1.00 63.52 C ATOM 587 CG2 VAL A 39 5.923 0.464 4.903 1.00 63.45 C ATOM 0 H VAL A 39 8.309 -0.438 4.292 1.00 20.43 H new ATOM 0 HA VAL A 39 7.162 1.578 2.696 1.00 45.32 H new ATOM 0 HB VAL A 39 7.581 1.550 5.708 1.00 20.13 H new ATOM 0 HG11 VAL A 39 5.603 3.014 5.770 1.00 63.52 H new ATOM 0 HG12 VAL A 39 6.949 3.753 4.870 1.00 63.52 H new ATOM 0 HG13 VAL A 39 5.574 3.042 3.991 1.00 63.52 H new ATOM 0 HG21 VAL A 39 5.312 0.570 5.800 1.00 63.45 H new ATOM 0 HG22 VAL A 39 5.282 0.492 4.022 1.00 63.45 H new ATOM 0 HG23 VAL A 39 6.454 -0.488 4.936 1.00 63.45 H new ATOM 597 N GLU A 40 10.034 2.358 4.080 1.00 23.22 N ATOM 598 CA GLU A 40 11.091 3.366 4.043 1.00 24.11 C ATOM 599 C GLU A 40 11.580 3.547 2.610 1.00 1.32 C ATOM 600 O GLU A 40 11.928 4.653 2.190 1.00 22.10 O ATOM 601 CB GLU A 40 12.251 2.969 4.960 1.00 51.23 C ATOM 602 CG GLU A 40 13.373 3.993 5.011 1.00 45.44 C ATOM 603 CD GLU A 40 14.415 3.662 6.058 1.00 54.10 C ATOM 604 OE1 GLU A 40 14.234 4.069 7.228 1.00 45.12 O ATOM 605 OE2 GLU A 40 15.418 2.993 5.722 1.00 60.42 O ATOM 0 H GLU A 40 10.286 1.490 4.552 1.00 23.22 H new ATOM 0 HA GLU A 40 10.687 4.312 4.402 1.00 24.11 H new ATOM 0 HB2 GLU A 40 11.868 2.814 5.968 1.00 51.23 H new ATOM 0 HB3 GLU A 40 12.658 2.015 4.623 1.00 51.23 H new ATOM 0 HG2 GLU A 40 13.851 4.052 4.033 1.00 45.44 H new ATOM 0 HG3 GLU A 40 12.953 4.977 5.220 1.00 45.44 H new ATOM 612 N ALA A 41 11.568 2.456 1.852 1.00 13.12 N ATOM 613 CA ALA A 41 11.990 2.481 0.460 1.00 24.12 C ATOM 614 C ALA A 41 10.981 3.234 -0.403 1.00 41.35 C ATOM 615 O ALA A 41 11.358 3.983 -1.301 1.00 74.42 O ATOM 616 CB ALA A 41 12.191 1.067 -0.066 1.00 23.02 C ATOM 0 H ALA A 41 11.268 1.539 2.183 1.00 13.12 H new ATOM 0 HA ALA A 41 12.943 3.008 0.407 1.00 24.12 H new ATOM 0 HB1 ALA A 41 12.506 1.108 -1.109 1.00 23.02 H new ATOM 0 HB2 ALA A 41 12.956 0.564 0.525 1.00 23.02 H new ATOM 0 HB3 ALA A 41 11.254 0.515 0.008 1.00 23.02 H new ATOM 622 N VAL A 42 9.694 3.047 -0.121 1.00 51.22 N ATOM 623 CA VAL A 42 8.660 3.735 -0.883 1.00 25.41 C ATOM 624 C VAL A 42 8.572 5.206 -0.470 1.00 20.03 C ATOM 625 O VAL A 42 8.248 6.063 -1.290 1.00 21.00 O ATOM 626 CB VAL A 42 7.272 3.050 -0.759 1.00 50.02 C ATOM 627 CG1 VAL A 42 6.696 3.187 0.639 1.00 31.42 C ATOM 628 CG2 VAL A 42 6.302 3.609 -1.790 1.00 55.34 C ATOM 0 H VAL A 42 9.348 2.435 0.618 1.00 51.22 H new ATOM 0 HA VAL A 42 8.951 3.677 -1.932 1.00 25.41 H new ATOM 0 HB VAL A 42 7.417 1.987 -0.952 1.00 50.02 H new ATOM 0 HG11 VAL A 42 5.725 2.694 0.682 1.00 31.42 H new ATOM 0 HG12 VAL A 42 7.371 2.722 1.358 1.00 31.42 H new ATOM 0 HG13 VAL A 42 6.578 4.243 0.882 1.00 31.42 H new ATOM 0 HG21 VAL A 42 5.336 3.115 -1.686 1.00 55.34 H new ATOM 0 HG22 VAL A 42 6.181 4.681 -1.632 1.00 55.34 H new ATOM 0 HG23 VAL A 42 6.694 3.432 -2.792 1.00 55.34 H new ATOM 638 N LYS A 43 8.891 5.500 0.794 1.00 40.41 N ATOM 639 CA LYS A 43 8.923 6.882 1.273 1.00 51.44 C ATOM 640 C LYS A 43 9.998 7.675 0.544 1.00 75.14 C ATOM 641 O LYS A 43 9.818 8.858 0.251 1.00 24.13 O ATOM 642 CB LYS A 43 9.172 6.945 2.782 1.00 5.25 C ATOM 643 CG LYS A 43 7.946 6.642 3.628 1.00 72.22 C ATOM 644 CD LYS A 43 8.206 6.946 5.094 1.00 53.21 C ATOM 645 CE LYS A 43 6.962 6.738 5.940 1.00 73.50 C ATOM 646 NZ LYS A 43 7.178 7.174 7.344 1.00 12.44 N ATOM 0 H LYS A 43 9.129 4.803 1.499 1.00 40.41 H new ATOM 0 HA LYS A 43 7.948 7.322 1.066 1.00 51.44 H new ATOM 0 HB2 LYS A 43 9.961 6.238 3.039 1.00 5.25 H new ATOM 0 HB3 LYS A 43 9.539 7.939 3.037 1.00 5.25 H new ATOM 0 HG2 LYS A 43 7.101 7.233 3.275 1.00 72.22 H new ATOM 0 HG3 LYS A 43 7.671 5.593 3.514 1.00 72.22 H new ATOM 0 HD2 LYS A 43 9.008 6.305 5.462 1.00 53.21 H new ATOM 0 HD3 LYS A 43 8.548 7.976 5.197 1.00 53.21 H new ATOM 0 HE2 LYS A 43 6.130 7.295 5.509 1.00 73.50 H new ATOM 0 HE3 LYS A 43 6.682 5.685 5.924 1.00 73.50 H new ATOM 0 HZ1 LYS A 43 6.339 6.940 7.913 1.00 12.44 H new ATOM 0 HZ2 LYS A 43 8.009 6.686 7.735 1.00 12.44 H new ATOM 0 HZ3 LYS A 43 7.337 8.201 7.368 1.00 12.44 H new ATOM 660 N GLU A 44 11.107 7.012 0.244 1.00 3.40 N ATOM 661 CA GLU A 44 12.180 7.622 -0.529 1.00 53.14 C ATOM 662 C GLU A 44 11.643 8.097 -1.878 1.00 31.02 C ATOM 663 O GLU A 44 11.957 9.194 -2.339 1.00 10.50 O ATOM 664 CB GLU A 44 13.310 6.612 -0.728 1.00 42.13 C ATOM 665 CG GLU A 44 14.485 7.147 -1.529 1.00 2.44 C ATOM 666 CD GLU A 44 15.537 6.090 -1.775 1.00 21.45 C ATOM 667 OE1 GLU A 44 15.347 5.261 -2.692 1.00 1.51 O ATOM 668 OE2 GLU A 44 16.556 6.082 -1.055 1.00 24.43 O ATOM 0 H GLU A 44 11.287 6.048 0.526 1.00 3.40 H new ATOM 0 HA GLU A 44 12.571 8.484 0.012 1.00 53.14 H new ATOM 0 HB2 GLU A 44 13.668 6.286 0.249 1.00 42.13 H new ATOM 0 HB3 GLU A 44 12.911 5.731 -1.232 1.00 42.13 H new ATOM 0 HG2 GLU A 44 14.127 7.530 -2.485 1.00 2.44 H new ATOM 0 HG3 GLU A 44 14.933 7.986 -0.997 1.00 2.44 H new ATOM 675 N LYS A 45 10.793 7.278 -2.485 1.00 51.50 N ATOM 676 CA LYS A 45 10.192 7.612 -3.769 1.00 0.30 C ATOM 677 C LYS A 45 8.892 8.396 -3.589 1.00 13.11 C ATOM 678 O LYS A 45 8.159 8.630 -4.547 1.00 74.23 O ATOM 679 CB LYS A 45 9.961 6.347 -4.597 1.00 15.22 C ATOM 680 CG LYS A 45 11.241 5.806 -5.216 1.00 32.34 C ATOM 681 CD LYS A 45 11.023 4.473 -5.914 1.00 34.31 C ATOM 682 CE LYS A 45 12.260 4.054 -6.697 1.00 74.54 C ATOM 683 NZ LYS A 45 12.177 2.646 -7.164 1.00 71.03 N ATOM 0 H LYS A 45 10.504 6.376 -2.107 1.00 51.50 H new ATOM 0 HA LYS A 45 10.887 8.254 -4.310 1.00 0.30 H new ATOM 0 HB2 LYS A 45 9.517 5.580 -3.963 1.00 15.22 H new ATOM 0 HB3 LYS A 45 9.243 6.562 -5.388 1.00 15.22 H new ATOM 0 HG2 LYS A 45 11.630 6.530 -5.932 1.00 32.34 H new ATOM 0 HG3 LYS A 45 11.997 5.688 -4.439 1.00 32.34 H new ATOM 0 HD2 LYS A 45 10.780 3.708 -5.176 1.00 34.31 H new ATOM 0 HD3 LYS A 45 10.170 4.548 -6.589 1.00 34.31 H new ATOM 0 HE2 LYS A 45 12.385 4.713 -7.556 1.00 74.54 H new ATOM 0 HE3 LYS A 45 13.143 4.176 -6.070 1.00 74.54 H new ATOM 0 HZ1 LYS A 45 13.040 2.404 -7.692 1.00 71.03 H new ATOM 0 HZ2 LYS A 45 12.084 2.013 -6.344 1.00 71.03 H new ATOM 0 HZ3 LYS A 45 11.349 2.534 -7.783 1.00 71.03 H new ATOM 697 N LEU A 46 8.614 8.797 -2.356 1.00 4.32 N ATOM 698 CA LEU A 46 7.516 9.711 -2.076 1.00 11.40 C ATOM 699 C LEU A 46 8.066 11.122 -1.946 1.00 43.12 C ATOM 700 O LEU A 46 7.499 12.082 -2.471 1.00 21.12 O ATOM 701 CB LEU A 46 6.778 9.311 -0.793 1.00 40.21 C ATOM 702 CG LEU A 46 5.979 8.008 -0.877 1.00 51.14 C ATOM 703 CD1 LEU A 46 5.392 7.648 0.478 1.00 53.20 C ATOM 704 CD2 LEU A 46 4.881 8.126 -1.918 1.00 0.44 C ATOM 0 H LEU A 46 9.136 8.502 -1.531 1.00 4.32 H new ATOM 0 HA LEU A 46 6.801 9.666 -2.898 1.00 11.40 H new ATOM 0 HB2 LEU A 46 7.507 9.220 0.012 1.00 40.21 H new ATOM 0 HB3 LEU A 46 6.098 10.118 -0.518 1.00 40.21 H new ATOM 0 HG LEU A 46 6.657 7.209 -1.178 1.00 51.14 H new ATOM 0 HD11 LEU A 46 4.828 6.719 0.395 1.00 53.20 H new ATOM 0 HD12 LEU A 46 6.197 7.520 1.201 1.00 53.20 H new ATOM 0 HD13 LEU A 46 4.729 8.446 0.811 1.00 53.20 H new ATOM 0 HD21 LEU A 46 4.322 7.191 -1.965 1.00 0.44 H new ATOM 0 HD22 LEU A 46 4.207 8.938 -1.645 1.00 0.44 H new ATOM 0 HD23 LEU A 46 5.324 8.334 -2.892 1.00 0.44 H new ATOM 716 N TRP A 47 9.194 11.230 -1.255 1.00 34.12 N ATOM 717 CA TRP A 47 9.903 12.495 -1.127 1.00 65.23 C ATOM 718 C TRP A 47 10.413 12.944 -2.494 1.00 73.54 C ATOM 719 O TRP A 47 10.359 14.124 -2.835 1.00 71.13 O ATOM 720 CB TRP A 47 11.062 12.342 -0.132 1.00 50.12 C ATOM 721 CG TRP A 47 11.864 13.593 0.078 1.00 34.42 C ATOM 722 CD1 TRP A 47 11.388 14.838 0.384 1.00 74.21 C ATOM 723 CD2 TRP A 47 13.291 13.716 0.013 1.00 12.43 C ATOM 724 NE1 TRP A 47 12.430 15.727 0.500 1.00 34.11 N ATOM 725 CE2 TRP A 47 13.608 15.063 0.279 1.00 50.33 C ATOM 726 CE3 TRP A 47 14.328 12.820 -0.250 1.00 13.31 C ATOM 727 CZ2 TRP A 47 14.921 15.527 0.294 1.00 3.12 C ATOM 728 CZ3 TRP A 47 15.629 13.283 -0.232 1.00 23.14 C ATOM 729 CH2 TRP A 47 15.916 14.627 0.036 1.00 54.04 C ATOM 0 H TRP A 47 9.639 10.450 -0.772 1.00 34.12 H new ATOM 0 HA TRP A 47 9.222 13.257 -0.748 1.00 65.23 H new ATOM 0 HB2 TRP A 47 10.661 12.016 0.828 1.00 50.12 H new ATOM 0 HB3 TRP A 47 11.726 11.553 -0.484 1.00 50.12 H new ATOM 0 HD1 TRP A 47 10.345 15.087 0.515 1.00 74.21 H new ATOM 0 HE1 TRP A 47 12.341 16.720 0.716 1.00 34.11 H new ATOM 0 HE3 TRP A 47 14.117 11.783 -0.464 1.00 13.31 H new ATOM 0 HZ2 TRP A 47 15.145 16.563 0.502 1.00 3.12 H new ATOM 0 HZ3 TRP A 47 16.439 12.596 -0.428 1.00 23.14 H new ATOM 0 HH2 TRP A 47 16.944 14.959 0.039 1.00 54.04 H new ATOM 740 N LYS A 48 10.872 11.981 -3.289 1.00 22.34 N ATOM 741 CA LYS A 48 11.359 12.257 -4.638 1.00 74.55 C ATOM 742 C LYS A 48 10.213 12.425 -5.634 1.00 2.32 C ATOM 743 O LYS A 48 10.439 12.734 -6.803 1.00 13.33 O ATOM 744 CB LYS A 48 12.269 11.126 -5.115 1.00 40.12 C ATOM 745 CG LYS A 48 13.609 11.064 -4.406 1.00 22.33 C ATOM 746 CD LYS A 48 14.416 9.863 -4.867 1.00 43.23 C ATOM 747 CE LYS A 48 15.844 9.907 -4.345 1.00 3.24 C ATOM 748 NZ LYS A 48 16.556 11.126 -4.809 1.00 32.34 N ATOM 0 H LYS A 48 10.917 10.998 -3.021 1.00 22.34 H new ATOM 0 HA LYS A 48 11.916 13.193 -4.592 1.00 74.55 H new ATOM 0 HB2 LYS A 48 11.753 10.176 -4.976 1.00 40.12 H new ATOM 0 HB3 LYS A 48 12.442 11.241 -6.185 1.00 40.12 H new ATOM 0 HG2 LYS A 48 14.169 11.979 -4.600 1.00 22.33 H new ATOM 0 HG3 LYS A 48 13.452 11.009 -3.329 1.00 22.33 H new ATOM 0 HD2 LYS A 48 13.932 8.948 -4.526 1.00 43.23 H new ATOM 0 HD3 LYS A 48 14.428 9.830 -5.956 1.00 43.23 H new ATOM 0 HE2 LYS A 48 15.835 9.882 -3.255 1.00 3.24 H new ATOM 0 HE3 LYS A 48 16.382 9.020 -4.680 1.00 3.24 H new ATOM 0 HZ1 LYS A 48 17.582 10.983 -4.721 1.00 32.34 H new ATOM 0 HZ2 LYS A 48 16.316 11.311 -5.804 1.00 32.34 H new ATOM 0 HZ3 LYS A 48 16.268 11.939 -4.227 1.00 32.34 H new ATOM 762 N LYS A 49 8.987 12.211 -5.175 1.00 5.02 N ATOM 763 CA LYS A 49 7.825 12.284 -6.054 1.00 3.34 C ATOM 764 C LYS A 49 7.000 13.538 -5.780 1.00 74.41 C ATOM 765 O LYS A 49 6.802 14.373 -6.665 1.00 2.01 O ATOM 766 CB LYS A 49 6.953 11.036 -5.882 1.00 13.42 C ATOM 767 CG LYS A 49 5.663 11.063 -6.691 1.00 21.12 C ATOM 768 CD LYS A 49 4.810 9.819 -6.453 1.00 3.24 C ATOM 769 CE LYS A 49 5.258 8.632 -7.295 1.00 64.21 C ATOM 770 NZ LYS A 49 6.584 8.091 -6.885 1.00 42.03 N ATOM 0 H LYS A 49 8.771 11.986 -4.204 1.00 5.02 H new ATOM 0 HA LYS A 49 8.185 12.333 -7.082 1.00 3.34 H new ATOM 0 HB2 LYS A 49 7.532 10.159 -6.171 1.00 13.42 H new ATOM 0 HB3 LYS A 49 6.705 10.922 -4.827 1.00 13.42 H new ATOM 0 HG2 LYS A 49 5.089 11.951 -6.428 1.00 21.12 H new ATOM 0 HG3 LYS A 49 5.902 11.141 -7.752 1.00 21.12 H new ATOM 0 HD2 LYS A 49 4.855 9.549 -5.398 1.00 3.24 H new ATOM 0 HD3 LYS A 49 3.769 10.048 -6.680 1.00 3.24 H new ATOM 0 HE2 LYS A 49 4.512 7.841 -7.223 1.00 64.21 H new ATOM 0 HE3 LYS A 49 5.303 8.933 -8.342 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 6.579 7.055 -6.976 1.00 42.03 H new ATOM 0 HZ2 LYS A 49 7.325 8.489 -7.496 1.00 42.03 H new ATOM 0 HZ3 LYS A 49 6.774 8.351 -5.896 1.00 42.03 H new ATOM 784 N CYS A 50 6.517 13.666 -4.554 1.00 12.50 N ATOM 785 CA CYS A 50 5.637 14.769 -4.199 1.00 71.21 C ATOM 786 C CYS A 50 6.410 15.895 -3.520 1.00 35.22 C ATOM 787 O CYS A 50 5.989 17.050 -3.547 1.00 32.40 O ATOM 788 CB CYS A 50 4.523 14.268 -3.280 1.00 10.52 C ATOM 789 SG CYS A 50 3.559 12.901 -3.971 1.00 23.31 S ATOM 0 H CYS A 50 6.719 13.022 -3.790 1.00 12.50 H new ATOM 0 HA CYS A 50 5.200 15.166 -5.115 1.00 71.21 H new ATOM 0 HB2 CYS A 50 4.962 13.948 -2.335 1.00 10.52 H new ATOM 0 HB3 CYS A 50 3.851 15.096 -3.056 1.00 10.52 H new ATOM 0 HG CYS A 50 2.642 12.544 -3.121 1.00 23.31 H new ATOM 795 N GLY A 51 7.553 15.559 -2.932 1.00 35.33 N ATOM 796 CA GLY A 51 8.314 16.541 -2.186 1.00 52.24 C ATOM 797 C GLY A 51 7.693 16.809 -0.832 1.00 30.01 C ATOM 798 O GLY A 51 7.153 17.884 -0.580 1.00 11.52 O ATOM 0 H GLY A 51 7.964 14.626 -2.959 1.00 35.33 H new ATOM 0 HA2 GLY A 51 9.337 16.188 -2.055 1.00 52.24 H new ATOM 0 HA3 GLY A 51 8.367 17.470 -2.754 1.00 52.24 H new ATOM 802 N THR A 52 7.743 15.812 0.032 1.00 64.54 N ATOM 803 CA THR A 52 7.150 15.910 1.350 1.00 12.55 C ATOM 804 C THR A 52 7.979 15.118 2.350 1.00 5.22 C ATOM 805 O THR A 52 8.408 14.000 2.049 1.00 43.15 O ATOM 806 CB THR A 52 5.697 15.383 1.336 1.00 11.01 C ATOM 807 OG1 THR A 52 4.913 16.138 0.404 1.00 51.22 O ATOM 808 CG2 THR A 52 5.064 15.464 2.716 1.00 35.50 C ATOM 0 H THR A 52 8.193 14.917 -0.160 1.00 64.54 H new ATOM 0 HA THR A 52 7.134 16.959 1.645 1.00 12.55 H new ATOM 0 HB THR A 52 5.724 14.336 1.033 1.00 11.01 H new ATOM 0 HG1 THR A 52 3.994 15.798 0.399 1.00 51.22 H new ATOM 0 HG21 THR A 52 4.043 15.086 2.671 1.00 35.50 H new ATOM 0 HG22 THR A 52 5.643 14.863 3.418 1.00 35.50 H new ATOM 0 HG23 THR A 52 5.052 16.501 3.051 1.00 35.50 H new ATOM 816 N SER A 53 8.224 15.707 3.515 1.00 34.34 N ATOM 817 CA SER A 53 8.956 15.030 4.572 1.00 21.23 C ATOM 818 C SER A 53 8.266 13.715 4.922 1.00 20.11 C ATOM 819 O SER A 53 7.064 13.687 5.203 1.00 42.30 O ATOM 820 CB SER A 53 9.054 15.928 5.809 1.00 13.42 C ATOM 821 OG SER A 53 9.544 17.218 5.469 1.00 63.20 O ATOM 0 H SER A 53 7.925 16.654 3.749 1.00 34.34 H new ATOM 0 HA SER A 53 9.965 14.815 4.222 1.00 21.23 H new ATOM 0 HB2 SER A 53 8.072 16.020 6.274 1.00 13.42 H new ATOM 0 HB3 SER A 53 9.713 15.468 6.545 1.00 13.42 H new ATOM 0 HG SER A 53 9.595 17.772 6.276 1.00 63.20 H new ATOM 827 N VAL A 54 9.033 12.635 4.916 1.00 71.23 N ATOM 828 CA VAL A 54 8.485 11.290 5.082 1.00 73.52 C ATOM 829 C VAL A 54 7.994 11.043 6.510 1.00 64.13 C ATOM 830 O VAL A 54 7.561 9.941 6.851 1.00 30.12 O ATOM 831 CB VAL A 54 9.525 10.219 4.701 1.00 20.24 C ATOM 832 CG1 VAL A 54 9.980 10.410 3.262 1.00 1.30 C ATOM 833 CG2 VAL A 54 10.712 10.255 5.648 1.00 65.15 C ATOM 0 H VAL A 54 10.046 12.661 4.797 1.00 71.23 H new ATOM 0 HA VAL A 54 7.630 11.215 4.410 1.00 73.52 H new ATOM 0 HB VAL A 54 9.055 9.240 4.788 1.00 20.24 H new ATOM 0 HG11 VAL A 54 10.715 9.646 3.008 1.00 1.30 H new ATOM 0 HG12 VAL A 54 9.122 10.325 2.595 1.00 1.30 H new ATOM 0 HG13 VAL A 54 10.430 11.397 3.151 1.00 1.30 H new ATOM 0 HG21 VAL A 54 11.432 9.490 5.358 1.00 65.15 H new ATOM 0 HG22 VAL A 54 11.186 11.236 5.601 1.00 65.15 H new ATOM 0 HG23 VAL A 54 10.371 10.066 6.666 1.00 65.15 H new ATOM 843 N ASN A 55 8.064 12.075 7.336 1.00 63.34 N ATOM 844 CA ASN A 55 7.583 11.993 8.705 1.00 43.51 C ATOM 845 C ASN A 55 6.139 12.486 8.803 1.00 31.24 C ATOM 846 O ASN A 55 5.359 11.984 9.610 1.00 75.22 O ATOM 847 CB ASN A 55 8.494 12.807 9.631 1.00 61.13 C ATOM 848 CG ASN A 55 8.025 12.801 11.074 1.00 55.42 C ATOM 849 OD1 ASN A 55 8.306 11.867 11.824 1.00 60.31 O ATOM 850 ND2 ASN A 55 7.338 13.855 11.480 1.00 15.41 N ATOM 0 H ASN A 55 8.451 12.983 7.080 1.00 63.34 H new ATOM 0 HA ASN A 55 7.605 10.949 9.019 1.00 43.51 H new ATOM 0 HB2 ASN A 55 9.506 12.406 9.581 1.00 61.13 H new ATOM 0 HB3 ASN A 55 8.541 13.836 9.274 1.00 61.13 H new ATOM 0 HD21 ASN A 55 7.020 13.915 12.447 1.00 15.41 H new ATOM 0 HD22 ASN A 55 7.126 14.608 10.826 1.00 15.41 H new ATOM 857 N SER A 56 5.783 13.448 7.957 1.00 24.33 N ATOM 858 CA SER A 56 4.459 14.056 8.000 1.00 0.31 C ATOM 859 C SER A 56 3.395 13.140 7.398 1.00 21.01 C ATOM 860 O SER A 56 2.266 13.077 7.885 1.00 24.13 O ATOM 861 CB SER A 56 4.469 15.395 7.258 1.00 32.42 C ATOM 862 OG SER A 56 5.352 16.319 7.873 1.00 54.44 O ATOM 0 H SER A 56 6.395 13.823 7.232 1.00 24.33 H new ATOM 0 HA SER A 56 4.207 14.220 9.048 1.00 0.31 H new ATOM 0 HB2 SER A 56 4.769 15.237 6.222 1.00 32.42 H new ATOM 0 HB3 SER A 56 3.461 15.810 7.238 1.00 32.42 H new ATOM 0 HG SER A 56 5.339 17.164 7.377 1.00 54.44 H new ATOM 868 N MET A 57 3.754 12.436 6.335 1.00 55.24 N ATOM 869 CA MET A 57 2.804 11.567 5.654 1.00 20.14 C ATOM 870 C MET A 57 2.989 10.120 6.094 1.00 15.22 C ATOM 871 O MET A 57 3.937 9.447 5.686 1.00 43.54 O ATOM 872 CB MET A 57 2.948 11.699 4.135 1.00 40.52 C ATOM 873 CG MET A 57 1.949 10.866 3.345 1.00 53.04 C ATOM 874 SD MET A 57 2.002 11.214 1.573 1.00 12.21 S ATOM 875 CE MET A 57 3.721 10.872 1.209 1.00 55.14 C ATOM 0 H MET A 57 4.689 12.448 5.927 1.00 55.24 H new ATOM 0 HA MET A 57 1.796 11.877 5.928 1.00 20.14 H new ATOM 0 HB2 MET A 57 2.831 12.747 3.859 1.00 40.52 H new ATOM 0 HB3 MET A 57 3.958 11.405 3.849 1.00 40.52 H new ATOM 0 HG2 MET A 57 2.153 9.808 3.510 1.00 53.04 H new ATOM 0 HG3 MET A 57 0.944 11.059 3.720 1.00 53.04 H new ATOM 0 HE1 MET A 57 3.804 10.453 0.206 1.00 55.14 H new ATOM 0 HE2 MET A 57 4.296 11.796 1.265 1.00 55.14 H new ATOM 0 HE3 MET A 57 4.111 10.157 1.934 1.00 55.14 H new ATOM 885 N ALA A 58 2.087 9.659 6.948 1.00 5.02 N ATOM 886 CA ALA A 58 2.134 8.299 7.460 1.00 14.22 C ATOM 887 C ALA A 58 1.057 7.443 6.800 1.00 64.21 C ATOM 888 O ALA A 58 0.359 7.898 5.893 1.00 61.13 O ATOM 889 CB ALA A 58 1.968 8.302 8.975 1.00 62.50 C ATOM 0 H ALA A 58 1.308 10.213 7.303 1.00 5.02 H new ATOM 0 HA ALA A 58 3.106 7.867 7.220 1.00 14.22 H new ATOM 0 HB1 ALA A 58 2.005 7.278 9.347 1.00 62.50 H new ATOM 0 HB2 ALA A 58 2.772 8.882 9.428 1.00 62.50 H new ATOM 0 HB3 ALA A 58 1.008 8.748 9.235 1.00 62.50 H new ATOM 895 N LEU A 59 0.923 6.206 7.256 1.00 20.22 N ATOM 896 CA LEU A 59 -0.051 5.287 6.683 1.00 31.41 C ATOM 897 C LEU A 59 -0.887 4.622 7.770 1.00 10.30 C ATOM 898 O LEU A 59 -0.354 4.035 8.711 1.00 33.44 O ATOM 899 CB LEU A 59 0.650 4.213 5.843 1.00 71.23 C ATOM 900 CG LEU A 59 1.367 4.718 4.589 1.00 0.45 C ATOM 901 CD1 LEU A 59 2.121 3.579 3.916 1.00 74.22 C ATOM 902 CD2 LEU A 59 0.372 5.345 3.622 1.00 64.44 C ATOM 0 H LEU A 59 1.475 5.816 8.020 1.00 20.22 H new ATOM 0 HA LEU A 59 -0.714 5.868 6.042 1.00 31.41 H new ATOM 0 HB2 LEU A 59 1.377 3.701 6.474 1.00 71.23 H new ATOM 0 HB3 LEU A 59 -0.090 3.471 5.543 1.00 71.23 H new ATOM 0 HG LEU A 59 2.086 5.482 4.884 1.00 0.45 H new ATOM 0 HD11 LEU A 59 2.626 3.953 3.025 1.00 74.22 H new ATOM 0 HD12 LEU A 59 2.859 3.172 4.608 1.00 74.22 H new ATOM 0 HD13 LEU A 59 1.419 2.795 3.632 1.00 74.22 H new ATOM 0 HD21 LEU A 59 0.899 5.699 2.736 1.00 64.44 H new ATOM 0 HD22 LEU A 59 -0.370 4.602 3.330 1.00 64.44 H new ATOM 0 HD23 LEU A 59 -0.127 6.184 4.107 1.00 64.44 H new ATOM 914 N GLU A 60 -2.198 4.737 7.639 1.00 25.15 N ATOM 915 CA GLU A 60 -3.124 4.027 8.505 1.00 74.12 C ATOM 916 C GLU A 60 -3.410 2.646 7.940 1.00 53.32 C ATOM 917 O GLU A 60 -4.233 2.492 7.037 1.00 10.11 O ATOM 918 CB GLU A 60 -4.427 4.808 8.649 1.00 33.23 C ATOM 919 CG GLU A 60 -4.342 5.973 9.614 1.00 1.33 C ATOM 920 CD GLU A 60 -4.435 5.537 11.059 1.00 23.33 C ATOM 921 OE1 GLU A 60 -5.568 5.472 11.586 1.00 14.32 O ATOM 922 OE2 GLU A 60 -3.388 5.274 11.680 1.00 20.15 O ATOM 0 H GLU A 60 -2.648 5.321 6.934 1.00 25.15 H new ATOM 0 HA GLU A 60 -2.668 3.924 9.489 1.00 74.12 H new ATOM 0 HB2 GLU A 60 -4.725 5.182 7.669 1.00 33.23 H new ATOM 0 HB3 GLU A 60 -5.211 4.129 8.983 1.00 33.23 H new ATOM 0 HG2 GLU A 60 -3.402 6.502 9.457 1.00 1.33 H new ATOM 0 HG3 GLU A 60 -5.145 6.678 9.398 1.00 1.33 H new ATOM 929 N LEU A 61 -2.702 1.652 8.450 1.00 52.12 N ATOM 930 CA LEU A 61 -2.873 0.285 7.997 1.00 44.25 C ATOM 931 C LEU A 61 -4.042 -0.368 8.728 1.00 52.01 C ATOM 932 O LEU A 61 -3.937 -0.710 9.907 1.00 34.22 O ATOM 933 CB LEU A 61 -1.584 -0.511 8.218 1.00 14.23 C ATOM 934 CG LEU A 61 -1.595 -1.945 7.684 1.00 22.31 C ATOM 935 CD1 LEU A 61 -1.882 -1.964 6.189 1.00 24.32 C ATOM 936 CD2 LEU A 61 -0.270 -2.631 7.981 1.00 34.23 C ATOM 0 H LEU A 61 -2.001 1.769 9.181 1.00 52.12 H new ATOM 0 HA LEU A 61 -3.094 0.291 6.930 1.00 44.25 H new ATOM 0 HB2 LEU A 61 -0.761 0.027 7.748 1.00 14.23 H new ATOM 0 HB3 LEU A 61 -1.376 -0.542 9.287 1.00 14.23 H new ATOM 0 HG LEU A 61 -2.391 -2.492 8.189 1.00 22.31 H new ATOM 0 HD11 LEU A 61 -1.885 -2.994 5.832 1.00 24.32 H new ATOM 0 HD12 LEU A 61 -2.855 -1.512 6.000 1.00 24.32 H new ATOM 0 HD13 LEU A 61 -1.111 -1.400 5.663 1.00 24.32 H new ATOM 0 HD21 LEU A 61 -0.293 -3.650 7.595 1.00 34.23 H new ATOM 0 HD22 LEU A 61 0.540 -2.080 7.503 1.00 34.23 H new ATOM 0 HD23 LEU A 61 -0.106 -2.655 9.058 1.00 34.23 H new ATOM 948 N TYR A 62 -5.159 -0.509 8.029 1.00 61.14 N ATOM 949 CA TYR A 62 -6.353 -1.100 8.613 1.00 2.11 C ATOM 950 C TYR A 62 -6.516 -2.550 8.179 1.00 61.41 C ATOM 951 O TYR A 62 -6.249 -2.894 7.025 1.00 72.31 O ATOM 952 CB TYR A 62 -7.606 -0.314 8.216 1.00 3.42 C ATOM 953 CG TYR A 62 -7.613 1.125 8.674 1.00 33.02 C ATOM 954 CD1 TYR A 62 -7.304 1.460 9.985 1.00 71.01 C ATOM 955 CD2 TYR A 62 -7.942 2.148 7.797 1.00 32.31 C ATOM 956 CE1 TYR A 62 -7.318 2.773 10.407 1.00 34.21 C ATOM 957 CE2 TYR A 62 -7.963 3.463 8.212 1.00 3.24 C ATOM 958 CZ TYR A 62 -7.651 3.771 9.516 1.00 71.51 C ATOM 959 OH TYR A 62 -7.673 5.082 9.934 1.00 42.20 O ATOM 0 H TYR A 62 -5.263 -0.222 7.056 1.00 61.14 H new ATOM 0 HA TYR A 62 -6.233 -1.062 9.696 1.00 2.11 H new ATOM 0 HB2 TYR A 62 -7.706 -0.337 7.131 1.00 3.42 H new ATOM 0 HB3 TYR A 62 -8.481 -0.817 8.627 1.00 3.42 H new ATOM 0 HD1 TYR A 62 -7.048 0.680 10.686 1.00 71.01 H new ATOM 0 HD2 TYR A 62 -8.186 1.911 6.772 1.00 32.31 H new ATOM 0 HE1 TYR A 62 -7.070 3.018 11.429 1.00 34.21 H new ATOM 0 HE2 TYR A 62 -8.223 4.247 7.517 1.00 3.24 H new ATOM 0 HH TYR A 62 -6.997 5.215 10.631 1.00 42.20 H new ATOM 969 N ASP A 63 -6.958 -3.391 9.106 1.00 1.43 N ATOM 970 CA ASP A 63 -7.238 -4.789 8.809 1.00 11.23 C ATOM 971 C ASP A 63 -8.722 -5.077 9.030 1.00 2.14 C ATOM 972 O ASP A 63 -9.492 -4.173 9.370 1.00 41.23 O ATOM 973 CB ASP A 63 -6.373 -5.719 9.670 1.00 75.31 C ATOM 974 CG ASP A 63 -6.864 -5.845 11.102 1.00 23.54 C ATOM 975 OD1 ASP A 63 -6.789 -4.857 11.860 1.00 53.31 O ATOM 976 OD2 ASP A 63 -7.323 -6.943 11.477 1.00 43.34 O ATOM 0 H ASP A 63 -7.131 -3.126 10.076 1.00 1.43 H new ATOM 0 HA ASP A 63 -6.991 -4.979 7.765 1.00 11.23 H new ATOM 0 HB2 ASP A 63 -6.350 -6.708 9.213 1.00 75.31 H new ATOM 0 HB3 ASP A 63 -5.348 -5.347 9.676 1.00 75.31 H new ATOM 981 N ASP A 64 -9.128 -6.325 8.827 1.00 4.20 N ATOM 982 CA ASP A 64 -10.539 -6.693 8.929 1.00 5.02 C ATOM 983 C ASP A 64 -10.876 -7.294 10.289 1.00 55.24 C ATOM 984 O ASP A 64 -12.041 -7.316 10.690 1.00 31.43 O ATOM 985 CB ASP A 64 -10.925 -7.683 7.830 1.00 34.42 C ATOM 986 CG ASP A 64 -10.824 -7.095 6.439 1.00 73.43 C ATOM 987 OD1 ASP A 64 -11.673 -6.255 6.078 1.00 53.30 O ATOM 988 OD2 ASP A 64 -9.904 -7.485 5.689 1.00 71.13 O ATOM 0 H ASP A 64 -8.505 -7.098 8.592 1.00 4.20 H new ATOM 0 HA ASP A 64 -11.111 -5.773 8.809 1.00 5.02 H new ATOM 0 HB2 ASP A 64 -10.280 -8.559 7.895 1.00 34.42 H new ATOM 0 HB3 ASP A 64 -11.946 -8.026 8.000 1.00 34.42 H new ATOM 993 N SER A 65 -9.865 -7.773 10.996 1.00 53.42 N ATOM 994 CA SER A 65 -10.076 -8.437 12.276 1.00 34.11 C ATOM 995 C SER A 65 -10.154 -7.404 13.399 1.00 25.34 C ATOM 996 O SER A 65 -11.072 -7.427 14.225 1.00 32.22 O ATOM 997 CB SER A 65 -8.945 -9.442 12.539 1.00 23.22 C ATOM 998 OG SER A 65 -9.177 -10.185 13.724 1.00 30.12 O ATOM 0 H SER A 65 -8.889 -7.715 10.706 1.00 53.42 H new ATOM 0 HA SER A 65 -11.021 -8.980 12.244 1.00 34.11 H new ATOM 0 HB2 SER A 65 -8.857 -10.123 11.692 1.00 23.22 H new ATOM 0 HB3 SER A 65 -7.996 -8.911 12.621 1.00 23.22 H new ATOM 0 HG SER A 65 -8.441 -10.817 13.863 1.00 30.12 H new ATOM 1004 N GLY A 66 -9.195 -6.492 13.417 1.00 62.34 N ATOM 1005 CA GLY A 66 -9.174 -5.456 14.424 1.00 23.35 C ATOM 1006 C GLY A 66 -9.490 -4.097 13.838 1.00 30.24 C ATOM 1007 O GLY A 66 -10.622 -3.842 13.419 1.00 60.44 O ATOM 0 H GLY A 66 -8.427 -6.452 12.747 1.00 62.34 H new ATOM 0 HA2 GLY A 66 -9.897 -5.693 15.204 1.00 23.35 H new ATOM 0 HA3 GLY A 66 -8.192 -5.429 14.897 1.00 23.35 H new ATOM 1011 N SER A 67 -8.495 -3.226 13.799 1.00 65.02 N ATOM 1012 CA SER A 67 -8.656 -1.899 13.225 1.00 11.31 C ATOM 1013 C SER A 67 -7.319 -1.383 12.696 1.00 75.32 C ATOM 1014 O SER A 67 -7.115 -1.311 11.487 1.00 43.41 O ATOM 1015 CB SER A 67 -9.247 -0.931 14.256 1.00 3.55 C ATOM 1016 OG SER A 67 -10.552 -1.337 14.644 1.00 12.21 O ATOM 0 H SER A 67 -7.560 -3.416 14.161 1.00 65.02 H new ATOM 0 HA SER A 67 -9.352 -1.965 12.389 1.00 11.31 H new ATOM 0 HB2 SER A 67 -8.600 -0.887 15.132 1.00 3.55 H new ATOM 0 HB3 SER A 67 -9.284 0.075 13.837 1.00 3.55 H new ATOM 0 HG SER A 67 -10.795 -2.157 14.166 1.00 12.21 H new ATOM 1022 N LYS A 68 -6.403 -1.052 13.598 1.00 11.34 N ATOM 1023 CA LYS A 68 -5.093 -0.553 13.203 1.00 12.01 C ATOM 1024 C LYS A 68 -4.030 -1.623 13.424 1.00 43.03 C ATOM 1025 O LYS A 68 -3.753 -2.000 14.561 1.00 22.42 O ATOM 1026 CB LYS A 68 -4.716 0.695 14.008 1.00 11.52 C ATOM 1027 CG LYS A 68 -5.759 1.800 13.981 1.00 54.44 C ATOM 1028 CD LYS A 68 -5.258 3.042 14.700 1.00 32.53 C ATOM 1029 CE LYS A 68 -6.355 4.081 14.873 1.00 42.22 C ATOM 1030 NZ LYS A 68 -6.959 4.491 13.578 1.00 40.21 N ATOM 0 H LYS A 68 -6.543 -1.120 14.606 1.00 11.34 H new ATOM 0 HA LYS A 68 -5.142 -0.295 12.145 1.00 12.01 H new ATOM 0 HB2 LYS A 68 -4.539 0.404 15.044 1.00 11.52 H new ATOM 0 HB3 LYS A 68 -3.776 1.090 13.623 1.00 11.52 H new ATOM 0 HG2 LYS A 68 -6.004 2.048 12.948 1.00 54.44 H new ATOM 0 HG3 LYS A 68 -6.678 1.449 14.451 1.00 54.44 H new ATOM 0 HD2 LYS A 68 -4.866 2.762 15.678 1.00 32.53 H new ATOM 0 HD3 LYS A 68 -4.431 3.477 14.139 1.00 32.53 H new ATOM 0 HE2 LYS A 68 -7.133 3.679 15.522 1.00 42.22 H new ATOM 0 HE3 LYS A 68 -5.945 4.958 15.373 1.00 42.22 H new ATOM 0 HZ1 LYS A 68 -7.494 5.373 13.708 1.00 40.21 H new ATOM 0 HZ2 LYS A 68 -6.206 4.643 12.877 1.00 40.21 H new ATOM 0 HZ3 LYS A 68 -7.600 3.744 13.242 1.00 40.21 H new ATOM 1044 N VAL A 69 -3.438 -2.101 12.342 1.00 62.12 N ATOM 1045 CA VAL A 69 -2.351 -3.072 12.427 1.00 60.42 C ATOM 1046 C VAL A 69 -1.026 -2.426 12.045 1.00 75.05 C ATOM 1047 O VAL A 69 -0.113 -3.093 11.561 1.00 41.22 O ATOM 1048 CB VAL A 69 -2.593 -4.305 11.528 1.00 60.32 C ATOM 1049 CG1 VAL A 69 -3.563 -5.266 12.191 1.00 41.34 C ATOM 1050 CG2 VAL A 69 -3.106 -3.890 10.157 1.00 71.31 C ATOM 0 H VAL A 69 -3.690 -1.834 11.390 1.00 62.12 H new ATOM 0 HA VAL A 69 -2.315 -3.410 13.462 1.00 60.42 H new ATOM 0 HB VAL A 69 -1.639 -4.814 11.391 1.00 60.32 H new ATOM 0 HG11 VAL A 69 -3.721 -6.128 11.543 1.00 41.34 H new ATOM 0 HG12 VAL A 69 -3.151 -5.599 13.144 1.00 41.34 H new ATOM 0 HG13 VAL A 69 -4.514 -4.762 12.363 1.00 41.34 H new ATOM 0 HG21 VAL A 69 -3.268 -4.777 9.545 1.00 71.31 H new ATOM 0 HG22 VAL A 69 -4.046 -3.350 10.268 1.00 71.31 H new ATOM 0 HG23 VAL A 69 -2.372 -3.245 9.674 1.00 71.31 H new ATOM 1060 N ALA A 70 -0.926 -1.125 12.286 1.00 42.43 N ATOM 1061 CA ALA A 70 0.280 -0.379 11.957 1.00 4.24 C ATOM 1062 C ALA A 70 1.396 -0.685 12.950 1.00 41.32 C ATOM 1063 O ALA A 70 1.517 -0.035 13.988 1.00 21.12 O ATOM 1064 CB ALA A 70 -0.007 1.115 11.918 1.00 72.42 C ATOM 0 H ALA A 70 -1.666 -0.565 12.708 1.00 42.43 H new ATOM 0 HA ALA A 70 0.612 -0.691 10.967 1.00 4.24 H new ATOM 0 HB1 ALA A 70 0.907 1.655 11.670 1.00 72.42 H new ATOM 0 HB2 ALA A 70 -0.765 1.320 11.163 1.00 72.42 H new ATOM 0 HB3 ALA A 70 -0.368 1.442 12.893 1.00 72.42 H new ATOM 1070 N VAL A 71 2.180 -1.709 12.641 1.00 31.30 N ATOM 1071 CA VAL A 71 3.325 -2.077 13.461 1.00 31.03 C ATOM 1072 C VAL A 71 4.397 -0.995 13.372 1.00 60.25 C ATOM 1073 O VAL A 71 5.060 -0.675 14.363 1.00 3.34 O ATOM 1074 CB VAL A 71 3.908 -3.437 13.017 1.00 53.23 C ATOM 1075 CG1 VAL A 71 5.107 -3.829 13.870 1.00 35.24 C ATOM 1076 CG2 VAL A 71 2.834 -4.511 13.073 1.00 50.24 C ATOM 0 H VAL A 71 2.042 -2.303 11.823 1.00 31.30 H new ATOM 0 HA VAL A 71 2.991 -2.170 14.495 1.00 31.03 H new ATOM 0 HB VAL A 71 4.253 -3.340 11.988 1.00 53.23 H new ATOM 0 HG11 VAL A 71 5.495 -4.790 13.533 1.00 35.24 H new ATOM 0 HG12 VAL A 71 5.884 -3.071 13.775 1.00 35.24 H new ATOM 0 HG13 VAL A 71 4.801 -3.907 14.913 1.00 35.24 H new ATOM 0 HG21 VAL A 71 3.257 -5.465 12.758 1.00 50.24 H new ATOM 0 HG22 VAL A 71 2.460 -4.599 14.093 1.00 50.24 H new ATOM 0 HG23 VAL A 71 2.014 -4.240 12.408 1.00 50.24 H new ATOM 1086 N LEU A 72 4.557 -0.454 12.165 1.00 44.53 N ATOM 1087 CA LEU A 72 5.422 0.694 11.908 1.00 40.44 C ATOM 1088 C LEU A 72 6.893 0.312 12.030 1.00 53.22 C ATOM 1089 O LEU A 72 7.758 1.165 12.193 1.00 32.30 O ATOM 1090 CB LEU A 72 5.080 1.862 12.839 1.00 44.23 C ATOM 1091 CG LEU A 72 5.562 3.232 12.357 1.00 60.05 C ATOM 1092 CD1 LEU A 72 4.897 3.587 11.033 1.00 52.41 C ATOM 1093 CD2 LEU A 72 5.278 4.294 13.406 1.00 63.10 C ATOM 0 H LEU A 72 4.085 -0.804 11.331 1.00 44.53 H new ATOM 0 HA LEU A 72 5.245 1.020 10.883 1.00 40.44 H new ATOM 0 HB2 LEU A 72 3.998 1.899 12.970 1.00 44.23 H new ATOM 0 HB3 LEU A 72 5.513 1.665 13.820 1.00 44.23 H new ATOM 0 HG LEU A 72 6.640 3.190 12.200 1.00 60.05 H new ATOM 0 HD11 LEU A 72 5.248 4.564 10.700 1.00 52.41 H new ATOM 0 HD12 LEU A 72 5.151 2.836 10.285 1.00 52.41 H new ATOM 0 HD13 LEU A 72 3.815 3.616 11.165 1.00 52.41 H new ATOM 0 HD21 LEU A 72 5.627 5.262 13.047 1.00 63.10 H new ATOM 0 HD22 LEU A 72 4.205 4.342 13.594 1.00 63.10 H new ATOM 0 HD23 LEU A 72 5.798 4.041 14.330 1.00 63.10 H new ATOM 1105 N SER A 73 7.163 -0.979 11.942 1.00 4.43 N ATOM 1106 CA SER A 73 8.527 -1.475 11.861 1.00 34.33 C ATOM 1107 C SER A 73 8.748 -2.007 10.447 1.00 73.41 C ATOM 1108 O SER A 73 9.846 -2.412 10.060 1.00 62.11 O ATOM 1109 CB SER A 73 8.764 -2.574 12.905 1.00 41.22 C ATOM 1110 OG SER A 73 10.141 -2.901 13.014 1.00 31.40 O ATOM 0 H SER A 73 6.450 -1.708 11.925 1.00 4.43 H new ATOM 0 HA SER A 73 9.235 -0.673 12.071 1.00 34.33 H new ATOM 0 HB2 SER A 73 8.390 -2.243 13.874 1.00 41.22 H new ATOM 0 HB3 SER A 73 8.198 -3.465 12.632 1.00 41.22 H new ATOM 0 HG SER A 73 10.523 -3.010 12.118 1.00 31.40 H new ATOM 1116 N ASP A 74 7.670 -1.951 9.681 1.00 3.33 N ATOM 1117 CA ASP A 74 7.618 -2.457 8.317 1.00 34.51 C ATOM 1118 C ASP A 74 8.288 -1.504 7.330 1.00 33.50 C ATOM 1119 O ASP A 74 8.256 -1.719 6.118 1.00 34.14 O ATOM 1120 CB ASP A 74 6.151 -2.681 7.933 1.00 43.22 C ATOM 1121 CG ASP A 74 5.245 -1.596 8.489 1.00 35.34 C ATOM 1122 OD1 ASP A 74 4.823 -1.718 9.667 1.00 72.25 O ATOM 1123 OD2 ASP A 74 4.979 -0.611 7.778 1.00 52.13 O ATOM 0 H ASP A 74 6.789 -1.545 9.996 1.00 3.33 H new ATOM 0 HA ASP A 74 8.167 -3.397 8.271 1.00 34.51 H new ATOM 0 HB2 ASP A 74 6.061 -2.708 6.847 1.00 43.22 H new ATOM 0 HB3 ASP A 74 5.823 -3.652 8.304 1.00 43.22 H new ATOM 1128 N ASP A 75 8.911 -0.458 7.848 1.00 14.01 N ATOM 1129 CA ASP A 75 9.616 0.490 7.000 1.00 14.04 C ATOM 1130 C ASP A 75 10.888 -0.121 6.426 1.00 72.41 C ATOM 1131 O ASP A 75 11.194 0.067 5.249 1.00 44.35 O ATOM 1132 CB ASP A 75 9.936 1.791 7.750 1.00 1.45 C ATOM 1133 CG ASP A 75 10.660 1.572 9.067 1.00 72.43 C ATOM 1134 OD1 ASP A 75 11.854 1.213 9.053 1.00 22.14 O ATOM 1135 OD2 ASP A 75 10.033 1.760 10.124 1.00 31.44 O ATOM 0 H ASP A 75 8.943 -0.244 8.845 1.00 14.01 H new ATOM 0 HA ASP A 75 8.951 0.735 6.172 1.00 14.04 H new ATOM 0 HB2 ASP A 75 10.547 2.428 7.111 1.00 1.45 H new ATOM 0 HB3 ASP A 75 9.007 2.328 7.941 1.00 1.45 H new ATOM 1140 N SER A 76 11.616 -0.861 7.244 1.00 53.01 N ATOM 1141 CA SER A 76 12.864 -1.465 6.807 1.00 2.22 C ATOM 1142 C SER A 76 12.661 -2.919 6.405 1.00 60.43 C ATOM 1143 O SER A 76 13.564 -3.555 5.864 1.00 63.21 O ATOM 1144 CB SER A 76 13.901 -1.383 7.922 1.00 3.50 C ATOM 1145 OG SER A 76 14.082 -0.047 8.370 1.00 62.35 O ATOM 0 H SER A 76 11.366 -1.058 8.213 1.00 53.01 H new ATOM 0 HA SER A 76 13.218 -0.914 5.936 1.00 2.22 H new ATOM 0 HB2 SER A 76 13.588 -2.008 8.758 1.00 3.50 H new ATOM 0 HB3 SER A 76 14.852 -1.780 7.566 1.00 3.50 H new ATOM 0 HG SER A 76 13.299 0.233 8.888 1.00 62.35 H new ATOM 1151 N ARG A 77 11.479 -3.450 6.675 1.00 22.54 N ATOM 1152 CA ARG A 77 11.220 -4.856 6.415 1.00 61.22 C ATOM 1153 C ARG A 77 10.224 -5.003 5.276 1.00 12.44 C ATOM 1154 O ARG A 77 9.136 -4.434 5.331 1.00 11.43 O ATOM 1155 CB ARG A 77 10.665 -5.558 7.664 1.00 61.24 C ATOM 1156 CG ARG A 77 11.298 -5.118 8.977 1.00 60.41 C ATOM 1157 CD ARG A 77 12.815 -5.203 8.956 1.00 32.53 C ATOM 1158 NE ARG A 77 13.305 -6.562 8.745 1.00 13.15 N ATOM 1159 CZ ARG A 77 14.445 -7.019 9.256 1.00 13.02 C ATOM 1160 NH1 ARG A 77 15.178 -6.235 10.037 1.00 34.25 N ATOM 1161 NH2 ARG A 77 14.854 -8.255 8.985 1.00 10.13 N ATOM 0 H ARG A 77 10.692 -2.935 7.070 1.00 22.54 H new ATOM 0 HA ARG A 77 12.166 -5.323 6.141 1.00 61.22 H new ATOM 0 HB2 ARG A 77 9.591 -5.380 7.717 1.00 61.24 H new ATOM 0 HB3 ARG A 77 10.805 -6.633 7.552 1.00 61.24 H new ATOM 0 HG2 ARG A 77 10.999 -4.092 9.194 1.00 60.41 H new ATOM 0 HG3 ARG A 77 10.915 -5.740 9.786 1.00 60.41 H new ATOM 0 HD2 ARG A 77 13.199 -4.557 8.167 1.00 32.53 H new ATOM 0 HD3 ARG A 77 13.208 -4.823 9.899 1.00 32.53 H new ATOM 0 HE ARG A 77 12.743 -7.195 8.175 1.00 13.15 H new ATOM 0 HH11 ARG A 77 14.867 -5.286 10.243 1.00 34.25 H new ATOM 0 HH12 ARG A 77 16.053 -6.582 10.431 1.00 34.25 H new ATOM 0 HH21 ARG A 77 14.293 -8.857 8.383 1.00 10.13 H new ATOM 0 HH22 ARG A 77 15.729 -8.601 9.379 1.00 10.13 H new ATOM 1175 N PRO A 78 10.588 -5.751 4.227 1.00 35.41 N ATOM 1176 CA PRO A 78 9.677 -6.055 3.125 1.00 3.24 C ATOM 1177 C PRO A 78 8.387 -6.684 3.640 1.00 23.53 C ATOM 1178 O PRO A 78 8.418 -7.726 4.306 1.00 74.13 O ATOM 1179 CB PRO A 78 10.463 -7.048 2.254 1.00 41.20 C ATOM 1180 CG PRO A 78 11.618 -7.488 3.096 1.00 4.11 C ATOM 1181 CD PRO A 78 11.911 -6.346 4.022 1.00 51.31 C ATOM 0 HA PRO A 78 9.375 -5.164 2.575 1.00 3.24 H new ATOM 0 HB2 PRO A 78 9.841 -7.896 1.966 1.00 41.20 H new ATOM 0 HB3 PRO A 78 10.806 -6.577 1.333 1.00 41.20 H new ATOM 0 HG2 PRO A 78 11.372 -8.391 3.655 1.00 4.11 H new ATOM 0 HG3 PRO A 78 12.485 -7.722 2.478 1.00 4.11 H new ATOM 0 HD2 PRO A 78 12.351 -6.687 4.959 1.00 51.31 H new ATOM 0 HD3 PRO A 78 12.611 -5.636 3.581 1.00 51.31 H new ATOM 1189 N LEU A 79 7.261 -6.049 3.333 1.00 23.34 N ATOM 1190 CA LEU A 79 5.968 -6.447 3.886 1.00 12.33 C ATOM 1191 C LEU A 79 5.630 -7.902 3.549 1.00 0.45 C ATOM 1192 O LEU A 79 4.850 -8.543 4.254 1.00 52.02 O ATOM 1193 CB LEU A 79 4.868 -5.513 3.374 1.00 62.02 C ATOM 1194 CG LEU A 79 3.545 -5.577 4.143 1.00 24.00 C ATOM 1195 CD1 LEU A 79 3.744 -5.128 5.585 1.00 75.53 C ATOM 1196 CD2 LEU A 79 2.488 -4.722 3.456 1.00 11.11 C ATOM 0 H LEU A 79 7.216 -5.251 2.700 1.00 23.34 H new ATOM 0 HA LEU A 79 6.031 -6.368 4.971 1.00 12.33 H new ATOM 0 HB2 LEU A 79 5.239 -4.489 3.407 1.00 62.02 H new ATOM 0 HB3 LEU A 79 4.673 -5.748 2.328 1.00 62.02 H new ATOM 0 HG LEU A 79 3.199 -6.611 4.150 1.00 24.00 H new ATOM 0 HD11 LEU A 79 2.794 -5.180 6.117 1.00 75.53 H new ATOM 0 HD12 LEU A 79 4.469 -5.780 6.072 1.00 75.53 H new ATOM 0 HD13 LEU A 79 4.112 -4.102 5.599 1.00 75.53 H new ATOM 0 HD21 LEU A 79 1.554 -4.779 4.015 1.00 11.11 H new ATOM 0 HD22 LEU A 79 2.826 -3.686 3.418 1.00 11.11 H new ATOM 0 HD23 LEU A 79 2.326 -5.088 2.442 1.00 11.11 H new ATOM 1208 N GLY A 80 6.234 -8.424 2.488 1.00 51.51 N ATOM 1209 CA GLY A 80 6.008 -9.806 2.110 1.00 73.41 C ATOM 1210 C GLY A 80 6.588 -10.781 3.115 1.00 45.33 C ATOM 1211 O GLY A 80 5.985 -11.815 3.402 1.00 34.12 O ATOM 0 H GLY A 80 6.877 -7.914 1.882 1.00 51.51 H new ATOM 0 HA2 GLY A 80 4.937 -9.983 2.012 1.00 73.41 H new ATOM 0 HA3 GLY A 80 6.452 -9.990 1.132 1.00 73.41 H new ATOM 1215 N PHE A 81 7.752 -10.449 3.662 1.00 70.25 N ATOM 1216 CA PHE A 81 8.396 -11.298 4.656 1.00 15.52 C ATOM 1217 C PHE A 81 7.709 -11.122 6.003 1.00 41.11 C ATOM 1218 O PHE A 81 7.780 -11.988 6.875 1.00 73.21 O ATOM 1219 CB PHE A 81 9.889 -10.959 4.765 1.00 73.15 C ATOM 1220 CG PHE A 81 10.650 -11.841 5.722 1.00 53.13 C ATOM 1221 CD1 PHE A 81 11.008 -13.131 5.360 1.00 72.42 C ATOM 1222 CD2 PHE A 81 11.005 -11.378 6.979 1.00 73.43 C ATOM 1223 CE1 PHE A 81 11.703 -13.942 6.237 1.00 62.05 C ATOM 1224 CE2 PHE A 81 11.701 -12.186 7.859 1.00 71.25 C ATOM 1225 CZ PHE A 81 12.049 -13.469 7.487 1.00 11.13 C ATOM 0 H PHE A 81 8.268 -9.599 3.434 1.00 70.25 H new ATOM 0 HA PHE A 81 8.306 -12.339 4.346 1.00 15.52 H new ATOM 0 HB2 PHE A 81 10.342 -11.037 3.777 1.00 73.15 H new ATOM 0 HB3 PHE A 81 9.993 -9.921 5.082 1.00 73.15 H new ATOM 0 HD1 PHE A 81 10.741 -13.506 4.383 1.00 72.42 H new ATOM 0 HD2 PHE A 81 10.735 -10.375 7.275 1.00 73.43 H new ATOM 0 HE1 PHE A 81 11.975 -14.945 5.945 1.00 62.05 H new ATOM 0 HE2 PHE A 81 11.972 -11.814 8.836 1.00 71.25 H new ATOM 0 HZ PHE A 81 12.592 -14.102 8.173 1.00 11.13 H new ATOM 1235 N PHE A 82 7.026 -9.996 6.150 1.00 44.14 N ATOM 1236 CA PHE A 82 6.290 -9.687 7.368 1.00 34.43 C ATOM 1237 C PHE A 82 4.898 -10.326 7.320 1.00 14.40 C ATOM 1238 O PHE A 82 4.103 -10.187 8.250 1.00 72.15 O ATOM 1239 CB PHE A 82 6.192 -8.165 7.531 1.00 70.31 C ATOM 1240 CG PHE A 82 5.669 -7.715 8.868 1.00 51.24 C ATOM 1241 CD1 PHE A 82 6.432 -7.881 10.013 1.00 50.15 C ATOM 1242 CD2 PHE A 82 4.421 -7.125 8.977 1.00 52.03 C ATOM 1243 CE1 PHE A 82 5.960 -7.468 11.243 1.00 0.52 C ATOM 1244 CE2 PHE A 82 3.943 -6.711 10.205 1.00 12.50 C ATOM 1245 CZ PHE A 82 4.714 -6.883 11.339 1.00 34.43 C ATOM 0 H PHE A 82 6.966 -9.274 5.432 1.00 44.14 H new ATOM 0 HA PHE A 82 6.818 -10.097 8.229 1.00 34.43 H new ATOM 0 HB2 PHE A 82 7.180 -7.731 7.376 1.00 70.31 H new ATOM 0 HB3 PHE A 82 5.544 -7.769 6.749 1.00 70.31 H new ATOM 0 HD1 PHE A 82 7.408 -8.339 9.942 1.00 50.15 H new ATOM 0 HD2 PHE A 82 3.816 -6.987 8.093 1.00 52.03 H new ATOM 0 HE1 PHE A 82 6.565 -7.602 12.128 1.00 0.52 H new ATOM 0 HE2 PHE A 82 2.968 -6.253 10.279 1.00 12.50 H new ATOM 0 HZ PHE A 82 4.341 -6.560 12.300 1.00 34.43 H new ATOM 1255 N SER A 83 4.634 -11.042 6.222 1.00 5.31 N ATOM 1256 CA SER A 83 3.367 -11.738 6.003 1.00 13.21 C ATOM 1257 C SER A 83 2.235 -10.740 5.748 1.00 51.43 C ATOM 1258 O SER A 83 1.573 -10.277 6.677 1.00 53.45 O ATOM 1259 CB SER A 83 3.030 -12.662 7.186 1.00 34.24 C ATOM 1260 OG SER A 83 1.866 -13.430 6.933 1.00 4.42 O ATOM 0 H SER A 83 5.299 -11.154 5.457 1.00 5.31 H new ATOM 0 HA SER A 83 3.476 -12.361 5.115 1.00 13.21 H new ATOM 0 HB2 SER A 83 3.871 -13.328 7.379 1.00 34.24 H new ATOM 0 HB3 SER A 83 2.884 -12.064 8.085 1.00 34.24 H new ATOM 0 HG SER A 83 1.681 -14.007 7.703 1.00 4.42 H new ATOM 1266 N PRO A 84 2.005 -10.395 4.473 1.00 40.12 N ATOM 1267 CA PRO A 84 0.988 -9.425 4.087 1.00 61.31 C ATOM 1268 C PRO A 84 -0.387 -10.060 3.893 1.00 53.52 C ATOM 1269 O PRO A 84 -0.503 -11.264 3.651 1.00 54.44 O ATOM 1270 CB PRO A 84 1.527 -8.898 2.760 1.00 33.13 C ATOM 1271 CG PRO A 84 2.241 -10.061 2.154 1.00 34.05 C ATOM 1272 CD PRO A 84 2.718 -10.926 3.299 1.00 0.45 C ATOM 0 HA PRO A 84 0.832 -8.660 4.847 1.00 61.31 H new ATOM 0 HB2 PRO A 84 0.720 -8.549 2.115 1.00 33.13 H new ATOM 0 HB3 PRO A 84 2.201 -8.055 2.913 1.00 33.13 H new ATOM 0 HG2 PRO A 84 1.577 -10.622 1.496 1.00 34.05 H new ATOM 0 HG3 PRO A 84 3.082 -9.725 1.547 1.00 34.05 H new ATOM 0 HD2 PRO A 84 2.481 -11.976 3.130 1.00 0.45 H new ATOM 0 HD3 PRO A 84 3.799 -10.859 3.425 1.00 0.45 H new ATOM 1280 N PHE A 85 -1.422 -9.247 4.003 1.00 25.14 N ATOM 1281 CA PHE A 85 -2.788 -9.709 3.809 1.00 13.43 C ATOM 1282 C PHE A 85 -3.484 -8.843 2.768 1.00 41.34 C ATOM 1283 O PHE A 85 -3.226 -7.641 2.682 1.00 72.13 O ATOM 1284 CB PHE A 85 -3.565 -9.674 5.132 1.00 61.54 C ATOM 1285 CG PHE A 85 -3.058 -10.648 6.161 1.00 63.12 C ATOM 1286 CD1 PHE A 85 -3.558 -11.939 6.218 1.00 4.52 C ATOM 1287 CD2 PHE A 85 -2.082 -10.272 7.071 1.00 33.11 C ATOM 1288 CE1 PHE A 85 -3.096 -12.836 7.162 1.00 44.23 C ATOM 1289 CE2 PHE A 85 -1.616 -11.164 8.017 1.00 34.11 C ATOM 1290 CZ PHE A 85 -2.123 -12.447 8.062 1.00 11.55 C ATOM 0 H PHE A 85 -1.343 -8.255 4.227 1.00 25.14 H new ATOM 0 HA PHE A 85 -2.760 -10.740 3.456 1.00 13.43 H new ATOM 0 HB2 PHE A 85 -3.516 -8.666 5.544 1.00 61.54 H new ATOM 0 HB3 PHE A 85 -4.615 -9.886 4.931 1.00 61.54 H new ATOM 0 HD1 PHE A 85 -4.318 -12.248 5.516 1.00 4.52 H new ATOM 0 HD2 PHE A 85 -1.681 -9.270 7.040 1.00 33.11 H new ATOM 0 HE1 PHE A 85 -3.495 -13.839 7.196 1.00 44.23 H new ATOM 0 HE2 PHE A 85 -0.856 -10.858 8.721 1.00 34.11 H new ATOM 0 HZ PHE A 85 -1.759 -13.146 8.800 1.00 11.55 H new ATOM 1300 N ASP A 86 -4.369 -9.452 1.989 1.00 3.42 N ATOM 1301 CA ASP A 86 -5.080 -8.742 0.925 1.00 2.42 C ATOM 1302 C ASP A 86 -6.207 -7.894 1.501 1.00 25.34 C ATOM 1303 O ASP A 86 -6.933 -7.224 0.769 1.00 61.15 O ATOM 1304 CB ASP A 86 -5.644 -9.730 -0.106 1.00 3.13 C ATOM 1305 CG ASP A 86 -6.829 -10.522 0.412 1.00 50.10 C ATOM 1306 OD1 ASP A 86 -6.625 -11.460 1.212 1.00 24.41 O ATOM 1307 OD2 ASP A 86 -7.973 -10.217 0.012 1.00 54.14 O ATOM 0 H ASP A 86 -4.614 -10.439 2.072 1.00 3.42 H new ATOM 0 HA ASP A 86 -4.367 -8.085 0.427 1.00 2.42 H new ATOM 0 HB2 ASP A 86 -5.944 -9.182 -0.999 1.00 3.13 H new ATOM 0 HB3 ASP A 86 -4.856 -10.421 -0.406 1.00 3.13 H new ATOM 1312 N GLY A 87 -6.352 -7.936 2.816 1.00 10.11 N ATOM 1313 CA GLY A 87 -7.359 -7.136 3.482 1.00 45.22 C ATOM 1314 C GLY A 87 -6.780 -5.857 4.051 1.00 1.13 C ATOM 1315 O GLY A 87 -7.482 -5.089 4.712 1.00 41.14 O ATOM 0 H GLY A 87 -5.786 -8.514 3.438 1.00 10.11 H new ATOM 0 HA2 GLY A 87 -8.154 -6.892 2.777 1.00 45.22 H new ATOM 0 HA3 GLY A 87 -7.812 -7.718 4.285 1.00 45.22 H new ATOM 1319 N PHE A 88 -5.499 -5.624 3.786 1.00 31.33 N ATOM 1320 CA PHE A 88 -4.820 -4.433 4.276 1.00 11.53 C ATOM 1321 C PHE A 88 -5.304 -3.191 3.544 1.00 54.51 C ATOM 1322 O PHE A 88 -5.272 -3.122 2.311 1.00 73.14 O ATOM 1323 CB PHE A 88 -3.300 -4.558 4.128 1.00 10.12 C ATOM 1324 CG PHE A 88 -2.634 -5.397 5.189 1.00 53.33 C ATOM 1325 CD1 PHE A 88 -3.275 -5.678 6.387 1.00 74.22 C ATOM 1326 CD2 PHE A 88 -1.352 -5.886 4.990 1.00 50.42 C ATOM 1327 CE1 PHE A 88 -2.650 -6.431 7.362 1.00 1.21 C ATOM 1328 CE2 PHE A 88 -0.724 -6.641 5.963 1.00 42.11 C ATOM 1329 CZ PHE A 88 -1.374 -6.912 7.152 1.00 40.42 C ATOM 0 H PHE A 88 -4.910 -6.247 3.233 1.00 31.33 H new ATOM 0 HA PHE A 88 -5.060 -4.337 5.335 1.00 11.53 H new ATOM 0 HB2 PHE A 88 -3.077 -4.987 3.151 1.00 10.12 H new ATOM 0 HB3 PHE A 88 -2.863 -3.560 4.145 1.00 10.12 H new ATOM 0 HD1 PHE A 88 -4.273 -5.304 6.559 1.00 74.22 H new ATOM 0 HD2 PHE A 88 -0.838 -5.675 4.064 1.00 50.42 H new ATOM 0 HE1 PHE A 88 -3.161 -6.643 8.290 1.00 1.21 H new ATOM 0 HE2 PHE A 88 0.274 -7.019 5.794 1.00 42.11 H new ATOM 0 HZ PHE A 88 -0.884 -7.499 7.915 1.00 40.42 H new ATOM 1339 N ARG A 89 -5.769 -2.226 4.314 1.00 4.44 N ATOM 1340 CA ARG A 89 -6.175 -0.941 3.777 1.00 44.43 C ATOM 1341 C ARG A 89 -5.150 0.114 4.149 1.00 21.14 C ATOM 1342 O ARG A 89 -4.795 0.256 5.316 1.00 22.23 O ATOM 1343 CB ARG A 89 -7.549 -0.546 4.316 1.00 74.43 C ATOM 1344 CG ARG A 89 -8.652 -1.518 3.942 1.00 72.44 C ATOM 1345 CD ARG A 89 -9.934 -1.214 4.695 1.00 22.34 C ATOM 1346 NE ARG A 89 -11.015 -2.128 4.324 1.00 51.45 N ATOM 1347 CZ ARG A 89 -11.209 -3.323 4.887 1.00 30.12 C ATOM 1348 NH1 ARG A 89 -10.375 -3.775 5.813 1.00 22.21 N ATOM 1349 NH2 ARG A 89 -12.229 -4.081 4.515 1.00 73.23 N ATOM 0 H ARG A 89 -5.876 -2.310 5.325 1.00 4.44 H new ATOM 0 HA ARG A 89 -6.238 -1.017 2.691 1.00 44.43 H new ATOM 0 HB2 ARG A 89 -7.496 -0.471 5.402 1.00 74.43 H new ATOM 0 HB3 ARG A 89 -7.806 0.444 3.940 1.00 74.43 H new ATOM 0 HG2 ARG A 89 -8.837 -1.466 2.869 1.00 72.44 H new ATOM 0 HG3 ARG A 89 -8.332 -2.537 4.161 1.00 72.44 H new ATOM 0 HD2 ARG A 89 -9.751 -1.285 5.767 1.00 22.34 H new ATOM 0 HD3 ARG A 89 -10.240 -0.188 4.491 1.00 22.34 H new ATOM 0 HE ARG A 89 -11.660 -1.834 3.590 1.00 51.45 H new ATOM 0 HH11 ARG A 89 -9.577 -3.209 6.101 1.00 22.21 H new ATOM 0 HH12 ARG A 89 -10.531 -4.689 6.238 1.00 22.21 H new ATOM 0 HH21 ARG A 89 -12.872 -3.753 3.794 1.00 73.23 H new ATOM 0 HH22 ARG A 89 -12.372 -4.993 4.949 1.00 73.23 H new ATOM 1363 N LEU A 90 -4.668 0.834 3.153 1.00 25.41 N ATOM 1364 CA LEU A 90 -3.666 1.862 3.368 1.00 60.42 C ATOM 1365 C LEU A 90 -4.303 3.238 3.312 1.00 63.10 C ATOM 1366 O LEU A 90 -4.487 3.802 2.230 1.00 34.44 O ATOM 1367 CB LEU A 90 -2.558 1.767 2.317 1.00 11.35 C ATOM 1368 CG LEU A 90 -1.701 0.504 2.378 1.00 1.33 C ATOM 1369 CD1 LEU A 90 -0.747 0.448 1.194 1.00 62.23 C ATOM 1370 CD2 LEU A 90 -0.926 0.448 3.686 1.00 71.34 C ATOM 0 H LEU A 90 -4.956 0.725 2.181 1.00 25.41 H new ATOM 0 HA LEU A 90 -3.229 1.707 4.355 1.00 60.42 H new ATOM 0 HB2 LEU A 90 -3.013 1.829 1.328 1.00 11.35 H new ATOM 0 HB3 LEU A 90 -1.905 2.634 2.423 1.00 11.35 H new ATOM 0 HG LEU A 90 -2.362 -0.361 2.330 1.00 1.33 H new ATOM 0 HD11 LEU A 90 -0.145 -0.459 1.255 1.00 62.23 H new ATOM 0 HD12 LEU A 90 -1.319 0.443 0.266 1.00 62.23 H new ATOM 0 HD13 LEU A 90 -0.093 1.320 1.212 1.00 62.23 H new ATOM 0 HD21 LEU A 90 -0.321 -0.458 3.712 1.00 71.34 H new ATOM 0 HD22 LEU A 90 -0.276 1.320 3.762 1.00 71.34 H new ATOM 0 HD23 LEU A 90 -1.624 0.442 4.523 1.00 71.34 H new ATOM 1382 N HIS A 91 -4.662 3.766 4.468 1.00 42.35 N ATOM 1383 CA HIS A 91 -5.223 5.102 4.533 1.00 54.41 C ATOM 1384 C HIS A 91 -4.099 6.112 4.699 1.00 51.41 C ATOM 1385 O HIS A 91 -3.519 6.239 5.775 1.00 44.02 O ATOM 1386 CB HIS A 91 -6.227 5.226 5.685 1.00 23.42 C ATOM 1387 CG HIS A 91 -7.127 6.418 5.564 1.00 23.42 C ATOM 1388 ND1 HIS A 91 -7.248 7.390 6.536 1.00 1.22 N ATOM 1389 CD2 HIS A 91 -7.975 6.777 4.574 1.00 35.32 C ATOM 1390 CE1 HIS A 91 -8.132 8.291 6.143 1.00 43.11 C ATOM 1391 NE2 HIS A 91 -8.587 7.943 4.956 1.00 31.53 N ATOM 0 H HIS A 91 -4.576 3.294 5.368 1.00 42.35 H new ATOM 0 HA HIS A 91 -5.759 5.302 3.605 1.00 54.41 H new ATOM 0 HB2 HIS A 91 -6.836 4.323 5.725 1.00 23.42 H new ATOM 0 HB3 HIS A 91 -5.682 5.285 6.627 1.00 23.42 H new ATOM 0 HD2 HIS A 91 -8.140 6.242 3.650 1.00 35.32 H new ATOM 0 HE1 HIS A 91 -8.431 9.166 6.701 1.00 43.11 H new ATOM 0 HE2 HIS A 91 -9.280 8.456 4.411 1.00 31.53 H new ATOM 1400 N ILE A 92 -3.779 6.800 3.616 1.00 43.23 N ATOM 1401 CA ILE A 92 -2.684 7.758 3.604 1.00 74.31 C ATOM 1402 C ILE A 92 -2.990 8.931 4.525 1.00 2.34 C ATOM 1403 O ILE A 92 -4.048 9.552 4.419 1.00 23.34 O ATOM 1404 CB ILE A 92 -2.410 8.270 2.174 1.00 24.20 C ATOM 1405 CG1 ILE A 92 -2.096 7.093 1.245 1.00 33.33 C ATOM 1406 CG2 ILE A 92 -1.264 9.274 2.170 1.00 24.14 C ATOM 1407 CD1 ILE A 92 -1.859 7.491 -0.199 1.00 74.41 C ATOM 0 H ILE A 92 -4.267 6.712 2.725 1.00 43.23 H new ATOM 0 HA ILE A 92 -1.791 7.247 3.965 1.00 74.31 H new ATOM 0 HB ILE A 92 -3.304 8.776 1.810 1.00 24.20 H new ATOM 0 HG12 ILE A 92 -1.212 6.575 1.618 1.00 33.33 H new ATOM 0 HG13 ILE A 92 -2.922 6.383 1.284 1.00 33.33 H new ATOM 0 HG21 ILE A 92 -1.088 9.622 1.152 1.00 24.14 H new ATOM 0 HG22 ILE A 92 -1.522 10.123 2.804 1.00 24.14 H new ATOM 0 HG23 ILE A 92 -0.361 8.797 2.551 1.00 24.14 H new ATOM 0 HD11 ILE A 92 -1.643 6.601 -0.791 1.00 74.41 H new ATOM 0 HD12 ILE A 92 -2.750 7.981 -0.592 1.00 74.41 H new ATOM 0 HD13 ILE A 92 -1.014 8.177 -0.253 1.00 74.41 H new ATOM 1419 N ILE A 93 -2.072 9.211 5.439 1.00 30.25 N ATOM 1420 CA ILE A 93 -2.243 10.310 6.373 1.00 61.44 C ATOM 1421 C ILE A 93 -1.859 11.630 5.724 1.00 43.43 C ATOM 1422 O ILE A 93 -0.679 11.969 5.608 1.00 4.40 O ATOM 1423 CB ILE A 93 -1.422 10.095 7.667 1.00 35.13 C ATOM 1424 CG1 ILE A 93 -1.991 8.920 8.462 1.00 1.23 C ATOM 1425 CG2 ILE A 93 -1.408 11.355 8.523 1.00 1.45 C ATOM 1426 CD1 ILE A 93 -3.409 9.148 8.940 1.00 13.41 C ATOM 0 H ILE A 93 -1.202 8.691 5.552 1.00 30.25 H new ATOM 0 HA ILE A 93 -3.298 10.342 6.647 1.00 61.44 H new ATOM 0 HB ILE A 93 -0.394 9.868 7.384 1.00 35.13 H new ATOM 0 HG12 ILE A 93 -1.964 8.024 7.842 1.00 1.23 H new ATOM 0 HG13 ILE A 93 -1.351 8.730 9.324 1.00 1.23 H new ATOM 0 HG21 ILE A 93 -0.824 11.175 9.426 1.00 1.45 H new ATOM 0 HG22 ILE A 93 -0.961 12.173 7.959 1.00 1.45 H new ATOM 0 HG23 ILE A 93 -2.429 11.619 8.798 1.00 1.45 H new ATOM 0 HD11 ILE A 93 -3.750 8.275 9.497 1.00 13.41 H new ATOM 0 HD12 ILE A 93 -3.438 10.025 9.587 1.00 13.41 H new ATOM 0 HD13 ILE A 93 -4.061 9.308 8.081 1.00 13.41 H new ATOM 1438 N ASP A 94 -2.868 12.348 5.268 1.00 54.11 N ATOM 1439 CA ASP A 94 -2.675 13.678 4.725 1.00 23.43 C ATOM 1440 C ASP A 94 -3.017 14.706 5.790 1.00 11.31 C ATOM 1441 O ASP A 94 -4.185 15.043 5.987 1.00 65.52 O ATOM 1442 CB ASP A 94 -3.545 13.903 3.483 1.00 74.20 C ATOM 1443 CG ASP A 94 -3.265 12.914 2.369 1.00 65.04 C ATOM 1444 OD1 ASP A 94 -2.240 13.068 1.672 1.00 2.11 O ATOM 1445 OD2 ASP A 94 -4.093 11.997 2.160 1.00 74.32 O ATOM 0 H ASP A 94 -3.837 12.029 5.263 1.00 54.11 H new ATOM 0 HA ASP A 94 -1.632 13.784 4.426 1.00 23.43 H new ATOM 0 HB2 ASP A 94 -4.595 13.833 3.766 1.00 74.20 H new ATOM 0 HB3 ASP A 94 -3.381 14.915 3.111 1.00 74.20 H new ATOM 1450 N LEU A 95 -2.003 15.156 6.515 1.00 15.42 N ATOM 1451 CA LEU A 95 -2.202 16.148 7.564 1.00 24.34 C ATOM 1452 C LEU A 95 -2.240 17.550 6.976 1.00 35.53 C ATOM 1453 O LEU A 95 -3.296 18.184 6.916 1.00 25.43 O ATOM 1454 CB LEU A 95 -1.093 16.059 8.616 1.00 72.00 C ATOM 1455 CG LEU A 95 -1.081 14.776 9.448 1.00 64.20 C ATOM 1456 CD1 LEU A 95 0.119 14.766 10.386 1.00 4.42 C ATOM 1457 CD2 LEU A 95 -2.379 14.634 10.234 1.00 15.32 C ATOM 0 H LEU A 95 -1.037 14.852 6.397 1.00 15.42 H new ATOM 0 HA LEU A 95 -3.158 15.939 8.044 1.00 24.34 H new ATOM 0 HB2 LEU A 95 -0.130 16.156 8.114 1.00 72.00 H new ATOM 0 HB3 LEU A 95 -1.187 16.909 9.291 1.00 72.00 H new ATOM 0 HG LEU A 95 -0.999 13.925 8.772 1.00 64.20 H new ATOM 0 HD11 LEU A 95 0.115 13.847 10.972 1.00 4.42 H new ATOM 0 HD12 LEU A 95 1.038 14.820 9.802 1.00 4.42 H new ATOM 0 HD13 LEU A 95 0.064 15.624 11.056 1.00 4.42 H new ATOM 0 HD21 LEU A 95 -2.351 13.715 10.820 1.00 15.32 H new ATOM 0 HD22 LEU A 95 -2.495 15.487 10.903 1.00 15.32 H new ATOM 0 HD23 LEU A 95 -3.221 14.598 9.543 1.00 15.32 H new ATOM 1469 N ASP A 96 -1.085 18.024 6.534 1.00 53.53 N ATOM 1470 CA ASP A 96 -0.968 19.361 5.980 1.00 72.41 C ATOM 1471 C ASP A 96 0.193 19.429 4.996 1.00 64.25 C ATOM 1472 O ASP A 96 1.199 18.735 5.163 1.00 64.22 O ATOM 1473 CB ASP A 96 -0.771 20.397 7.094 1.00 32.23 C ATOM 1474 CG ASP A 96 0.527 20.208 7.858 1.00 32.24 C ATOM 1475 OD1 ASP A 96 0.538 19.436 8.841 1.00 30.34 O ATOM 1476 OD2 ASP A 96 1.539 20.839 7.487 1.00 24.13 O ATOM 0 H ASP A 96 -0.211 17.498 6.549 1.00 53.53 H new ATOM 0 HA ASP A 96 -1.894 19.591 5.452 1.00 72.41 H new ATOM 0 HB2 ASP A 96 -0.788 21.397 6.660 1.00 32.23 H new ATOM 0 HB3 ASP A 96 -1.608 20.337 7.790 1.00 32.23 H new ATOM 1481 N PRO A 97 0.052 20.243 3.943 1.00 72.52 N ATOM 1482 CA PRO A 97 1.096 20.441 2.941 1.00 65.44 C ATOM 1483 C PRO A 97 2.185 21.388 3.434 1.00 62.20 C ATOM 1484 O PRO A 97 3.260 20.908 3.837 1.00 37.47 O ATOM 1485 CB PRO A 97 0.348 21.055 1.744 1.00 10.14 C ATOM 1486 CG PRO A 97 -1.100 21.081 2.126 1.00 13.31 C ATOM 1487 CD PRO A 97 -1.142 21.027 3.624 1.00 73.52 C ATOM 1488 OXT PRO A 97 1.954 22.620 3.433 1.00 37.47 O ATOM 0 HA PRO A 97 1.608 19.510 2.697 1.00 65.44 H new ATOM 0 HB2 PRO A 97 0.713 22.060 1.531 1.00 10.14 H new ATOM 0 HB3 PRO A 97 0.502 20.462 0.843 1.00 10.14 H new ATOM 0 HG2 PRO A 97 -1.583 21.985 1.756 1.00 13.31 H new ATOM 0 HG3 PRO A 97 -1.632 20.235 1.691 1.00 13.31 H new ATOM 0 HD2 PRO A 97 -1.105 22.022 4.068 1.00 73.52 H new ATOM 0 HD3 PRO A 97 -2.051 20.549 3.988 1.00 73.52 H new TER 1496 PRO A 97