USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 917 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl 145:sc= -3.24! (180deg=-4.62!) USER MOD Set 1.3: A 78 ASN : amide:sc= -0.311 X(o=-3.5,f=-3.6) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 33 HIS : no HD1:sc= 0.96 K(o=0.96,f=-3.1!) USER MOD Set 3.1: A 18 MET CE :methyl 156:sc= -0.403 (180deg=-1.24!) USER MOD Set 3.2: A 21 TYR OH : rot 2:sc=-0.00531 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.645 (180deg=0.628) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 ASN : amide:sc= -0.36 K(o=-0.36,f=-11!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -162:sc=-0.00863 (180deg=-0.341) USER MOD Single : A 9 SER OG : rot 140:sc= -1.7! USER MOD Single : A 11 HIS : no HD1:sc= 1.2 K(o=1.2,f=-4.4!) USER MOD Single : A 16 SER OG : rot 170:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0622) USER MOD Single : A 20 THR OG1 : rot 49:sc= 0.701 USER MOD Single : A 22 SER OG : rot 121:sc= 0.626 USER MOD Single : A 32 HIS :FLIP no HE2:sc= 0.2 F(o=-0.71,f=0.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -0.431 USER MOD Single : A 37 MET CE :methyl 142:sc= -0.346 (180deg=-0.799) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 174:sc=-0.00338 (180deg=-0.0852) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.465 K(o=0.47,f=-1.3) USER MOD Single : A 50 HIS : no HE2:sc= 1.04 K(o=1,f=-5.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 136:sc= 0.277 USER MOD Single : A 69 CYS SG : rot 180:sc=-0.00181 USER MOD Single : A 70 ASN :FLIP amide:sc= 0 F(o=-3.1!,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 76 GLN : amide:sc= -0.0208 X(o=-0.021,f=-0.15) USER MOD Single : A 80 SER OG : rot 65:sc= 1.16 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0636 (180deg=-0.445) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 133:sc= -0.306 (180deg=-1.14) USER MOD Single : A 97 ASN : amide:sc= -0.0413 X(o=-0.041,f=-0.041) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.014) USER MOD Single : A 110 HIS : no HD1:sc= -0.0838 X(o=-0.084,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.936 -0.063 16.765 1.00 45.15 N ATOM 2 CA MET A 1 17.015 -0.870 16.142 1.00 42.43 C ATOM 3 C MET A 1 16.440 -2.135 15.506 1.00 55.12 C ATOM 4 O MET A 1 17.180 -3.047 15.135 1.00 40.13 O ATOM 5 CB MET A 1 18.068 -1.255 17.192 1.00 65.24 C ATOM 6 CG MET A 1 17.617 -2.337 18.167 1.00 15.44 C ATOM 7 SD MET A 1 16.196 -1.848 19.163 1.00 61.00 S ATOM 8 CE MET A 1 15.913 -3.347 20.102 1.00 63.30 C ATOM 0 H1 MET A 1 16.334 0.825 17.132 1.00 45.15 H new ATOM 0 H2 MET A 1 15.209 0.152 16.054 1.00 45.15 H new ATOM 0 H3 MET A 1 15.508 -0.600 17.546 1.00 45.15 H new ATOM 0 HA MET A 1 17.486 -0.266 15.366 1.00 42.43 H new ATOM 0 HB2 MET A 1 18.967 -1.597 16.679 1.00 65.24 H new ATOM 0 HB3 MET A 1 18.342 -0.364 17.758 1.00 65.24 H new ATOM 0 HG2 MET A 1 17.368 -3.239 17.609 1.00 15.44 H new ATOM 0 HG3 MET A 1 18.446 -2.590 18.828 1.00 15.44 H new ATOM 0 HE1 MET A 1 15.062 -3.204 20.768 1.00 63.30 H new ATOM 0 HE2 MET A 1 15.705 -4.170 19.419 1.00 63.30 H new ATOM 0 HE3 MET A 1 16.800 -3.580 20.691 1.00 63.30 H new ATOM 20 N ASN A 2 15.119 -2.177 15.361 1.00 11.34 N ATOM 21 CA ASN A 2 14.450 -3.375 14.865 1.00 11.31 C ATOM 22 C ASN A 2 14.295 -3.323 13.352 1.00 44.41 C ATOM 23 O ASN A 2 13.760 -4.248 12.742 1.00 20.50 O ATOM 24 CB ASN A 2 13.071 -3.534 15.512 1.00 30.35 C ATOM 25 CG ASN A 2 13.139 -3.730 17.013 1.00 55.14 C ATOM 26 OD1 ASN A 2 13.105 -2.768 17.778 1.00 44.54 O ATOM 27 ND2 ASN A 2 13.242 -4.978 17.443 1.00 12.54 N ATOM 0 H ASN A 2 14.494 -1.401 15.578 1.00 11.34 H new ATOM 0 HA ASN A 2 15.070 -4.232 15.129 1.00 11.31 H new ATOM 0 HB2 ASN A 2 12.470 -2.652 15.293 1.00 30.35 H new ATOM 0 HB3 ASN A 2 12.561 -4.386 15.063 1.00 30.35 H new ATOM 0 HD21 ASN A 2 13.296 -5.170 18.443 1.00 12.54 H new ATOM 0 HD22 ASN A 2 13.267 -5.748 16.774 1.00 12.54 H new ATOM 34 N ASN A 3 14.764 -2.241 12.751 1.00 20.22 N ATOM 35 CA ASN A 3 14.620 -2.053 11.317 1.00 73.33 C ATOM 36 C ASN A 3 15.942 -2.395 10.624 1.00 44.10 C ATOM 37 O ASN A 3 17.010 -2.001 11.095 1.00 2.34 O ATOM 38 CB ASN A 3 14.227 -0.581 11.079 1.00 60.43 C ATOM 39 CG ASN A 3 13.801 -0.245 9.661 1.00 5.12 C ATOM 40 OD1 ASN A 3 14.282 -0.816 8.692 1.00 71.12 O ATOM 41 ND2 ASN A 3 12.884 0.702 9.540 1.00 71.42 N ATOM 0 H ASN A 3 15.246 -1.482 13.232 1.00 20.22 H new ATOM 0 HA ASN A 3 13.852 -2.707 10.905 1.00 73.33 H new ATOM 0 HB2 ASN A 3 13.412 -0.326 11.756 1.00 60.43 H new ATOM 0 HB3 ASN A 3 15.073 0.052 11.346 1.00 60.43 H new ATOM 0 HD21 ASN A 3 12.555 0.978 8.615 1.00 71.42 H new ATOM 0 HD22 ASN A 3 12.506 1.155 10.372 1.00 71.42 H new ATOM 48 N PRO A 4 15.890 -3.118 9.486 1.00 63.34 N ATOM 49 CA PRO A 4 17.080 -3.417 8.676 1.00 3.42 C ATOM 50 C PRO A 4 17.628 -2.168 7.995 1.00 41.01 C ATOM 51 O PRO A 4 18.817 -2.085 7.680 1.00 51.11 O ATOM 52 CB PRO A 4 16.573 -4.416 7.624 1.00 13.43 C ATOM 53 CG PRO A 4 15.257 -4.899 8.138 1.00 65.12 C ATOM 54 CD PRO A 4 14.688 -3.768 8.944 1.00 0.10 C ATOM 0 HA PRO A 4 17.897 -3.807 9.284 1.00 3.42 H new ATOM 0 HB2 PRO A 4 16.463 -3.939 6.650 1.00 13.43 H new ATOM 0 HB3 PRO A 4 17.273 -5.242 7.497 1.00 13.43 H new ATOM 0 HG2 PRO A 4 14.592 -5.167 7.317 1.00 65.12 H new ATOM 0 HG3 PRO A 4 15.381 -5.791 8.751 1.00 65.12 H new ATOM 0 HD2 PRO A 4 14.103 -3.086 8.327 1.00 0.10 H new ATOM 0 HD3 PRO A 4 14.030 -4.126 9.736 1.00 0.10 H new ATOM 62 N SER A 5 16.730 -1.213 7.757 1.00 60.02 N ATOM 63 CA SER A 5 17.081 0.106 7.232 1.00 62.15 C ATOM 64 C SER A 5 17.719 0.034 5.841 1.00 1.15 C ATOM 65 O SER A 5 18.343 0.994 5.390 1.00 74.13 O ATOM 66 CB SER A 5 18.020 0.809 8.216 1.00 22.32 C ATOM 67 OG SER A 5 17.493 0.762 9.532 1.00 53.41 O ATOM 0 H SER A 5 15.731 -1.334 7.924 1.00 60.02 H new ATOM 0 HA SER A 5 16.159 0.678 7.123 1.00 62.15 H new ATOM 0 HB2 SER A 5 19.000 0.333 8.194 1.00 22.32 H new ATOM 0 HB3 SER A 5 18.162 1.846 7.913 1.00 22.32 H new ATOM 0 HG SER A 5 18.107 1.215 10.147 1.00 53.41 H new ATOM 73 N ASP A 6 17.536 -1.083 5.142 1.00 2.40 N ATOM 74 CA ASP A 6 18.163 -1.253 3.833 1.00 51.34 C ATOM 75 C ASP A 6 17.173 -1.034 2.704 1.00 10.24 C ATOM 76 O ASP A 6 17.507 -1.168 1.525 1.00 25.41 O ATOM 77 CB ASP A 6 18.793 -2.638 3.710 1.00 53.11 C ATOM 78 CG ASP A 6 19.888 -2.679 2.661 1.00 41.05 C ATOM 79 OD1 ASP A 6 21.010 -2.214 2.948 1.00 14.42 O ATOM 80 OD2 ASP A 6 19.632 -3.174 1.542 1.00 23.51 O ATOM 0 H ASP A 6 16.969 -1.872 5.452 1.00 2.40 H new ATOM 0 HA ASP A 6 18.944 -0.498 3.750 1.00 51.34 H new ATOM 0 HB2 ASP A 6 19.205 -2.935 4.675 1.00 53.11 H new ATOM 0 HB3 ASP A 6 18.021 -3.365 3.456 1.00 53.11 H new ATOM 85 N PHE A 7 15.965 -0.666 3.063 1.00 62.43 N ATOM 86 CA PHE A 7 14.948 -0.374 2.067 1.00 71.31 C ATOM 87 C PHE A 7 14.790 1.111 1.840 1.00 13.40 C ATOM 88 O PHE A 7 14.741 1.909 2.777 1.00 72.32 O ATOM 89 CB PHE A 7 13.597 -1.016 2.380 1.00 53.52 C ATOM 90 CG PHE A 7 13.359 -1.369 3.815 1.00 3.20 C ATOM 91 CD1 PHE A 7 12.887 -0.429 4.714 1.00 54.22 C ATOM 92 CD2 PHE A 7 13.583 -2.664 4.253 1.00 22.50 C ATOM 93 CE1 PHE A 7 12.645 -0.776 6.025 1.00 41.44 C ATOM 94 CE2 PHE A 7 13.347 -3.013 5.563 1.00 23.31 C ATOM 95 CZ PHE A 7 12.875 -2.070 6.450 1.00 60.33 C ATOM 0 H PHE A 7 15.659 -0.561 4.030 1.00 62.43 H new ATOM 0 HA PHE A 7 15.309 -0.826 1.143 1.00 71.31 H new ATOM 0 HB2 PHE A 7 12.809 -0.335 2.058 1.00 53.52 H new ATOM 0 HB3 PHE A 7 13.499 -1.922 1.782 1.00 53.52 H new ATOM 0 HD1 PHE A 7 12.707 0.584 4.386 1.00 54.22 H new ATOM 0 HD2 PHE A 7 13.947 -3.407 3.559 1.00 22.50 H new ATOM 0 HE1 PHE A 7 12.276 -0.037 6.720 1.00 41.44 H new ATOM 0 HE2 PHE A 7 13.531 -4.024 5.895 1.00 23.31 H new ATOM 0 HZ PHE A 7 12.685 -2.343 7.478 1.00 60.33 H new ATOM 105 N LYS A 8 14.724 1.450 0.570 1.00 62.24 N ATOM 106 CA LYS A 8 14.646 2.821 0.117 1.00 13.45 C ATOM 107 C LYS A 8 13.200 3.240 -0.128 1.00 52.42 C ATOM 108 O LYS A 8 12.820 4.377 0.143 1.00 74.44 O ATOM 109 CB LYS A 8 15.452 2.944 -1.179 1.00 74.45 C ATOM 110 CG LYS A 8 14.967 1.998 -2.268 1.00 72.31 C ATOM 111 CD LYS A 8 16.007 1.773 -3.352 1.00 74.15 C ATOM 112 CE LYS A 8 15.535 0.734 -4.359 1.00 25.44 C ATOM 113 NZ LYS A 8 15.196 -0.564 -3.706 1.00 64.01 N ATOM 0 H LYS A 8 14.723 0.768 -0.189 1.00 62.24 H new ATOM 0 HA LYS A 8 15.053 3.478 0.886 1.00 13.45 H new ATOM 0 HB2 LYS A 8 15.392 3.970 -1.542 1.00 74.45 H new ATOM 0 HB3 LYS A 8 16.502 2.741 -0.969 1.00 74.45 H new ATOM 0 HG2 LYS A 8 14.701 1.040 -1.820 1.00 72.31 H new ATOM 0 HG3 LYS A 8 14.060 2.402 -2.718 1.00 72.31 H new ATOM 0 HD2 LYS A 8 16.212 2.713 -3.864 1.00 74.15 H new ATOM 0 HD3 LYS A 8 16.943 1.446 -2.899 1.00 74.15 H new ATOM 0 HE2 LYS A 8 14.661 1.113 -4.888 1.00 25.44 H new ATOM 0 HE3 LYS A 8 16.313 0.572 -5.105 1.00 25.44 H new ATOM 0 HZ1 LYS A 8 15.177 -1.318 -4.422 1.00 64.01 H new ATOM 0 HZ2 LYS A 8 15.912 -0.788 -2.986 1.00 64.01 H new ATOM 0 HZ3 LYS A 8 14.262 -0.492 -3.254 1.00 64.01 H new ATOM 127 N SER A 9 12.387 2.314 -0.623 1.00 13.50 N ATOM 128 CA SER A 9 11.061 2.666 -1.117 1.00 12.32 C ATOM 129 C SER A 9 9.963 1.835 -0.471 1.00 5.40 C ATOM 130 O SER A 9 10.234 0.842 0.206 1.00 31.34 O ATOM 131 CB SER A 9 11.017 2.493 -2.634 1.00 24.42 C ATOM 132 OG SER A 9 11.984 3.310 -3.268 1.00 60.21 O ATOM 0 H SER A 9 12.619 1.323 -0.693 1.00 13.50 H new ATOM 0 HA SER A 9 10.878 3.707 -0.852 1.00 12.32 H new ATOM 0 HB2 SER A 9 11.195 1.448 -2.889 1.00 24.42 H new ATOM 0 HB3 SER A 9 10.023 2.747 -3.003 1.00 24.42 H new ATOM 0 HG SER A 9 12.397 2.815 -4.006 1.00 60.21 H new ATOM 138 N PHE A 10 8.718 2.250 -0.706 1.00 13.41 N ATOM 139 CA PHE A 10 7.549 1.583 -0.147 1.00 64.41 C ATOM 140 C PHE A 10 7.505 0.100 -0.518 1.00 52.33 C ATOM 141 O PHE A 10 7.240 -0.738 0.335 1.00 54.51 O ATOM 142 CB PHE A 10 6.255 2.287 -0.594 1.00 34.22 C ATOM 143 CG PHE A 10 6.012 2.284 -2.079 1.00 35.03 C ATOM 144 CD1 PHE A 10 6.705 3.147 -2.914 1.00 23.41 C ATOM 145 CD2 PHE A 10 5.081 1.423 -2.637 1.00 64.54 C ATOM 146 CE1 PHE A 10 6.475 3.148 -4.275 1.00 1.34 C ATOM 147 CE2 PHE A 10 4.847 1.419 -3.997 1.00 75.52 C ATOM 148 CZ PHE A 10 5.544 2.283 -4.819 1.00 22.31 C ATOM 0 H PHE A 10 8.495 3.057 -1.289 1.00 13.41 H new ATOM 0 HA PHE A 10 7.629 1.648 0.938 1.00 64.41 H new ATOM 0 HB2 PHE A 10 5.409 1.808 -0.101 1.00 34.22 H new ATOM 0 HB3 PHE A 10 6.282 3.320 -0.247 1.00 34.22 H new ATOM 0 HD1 PHE A 10 7.433 3.826 -2.495 1.00 23.41 H new ATOM 0 HD2 PHE A 10 4.531 0.746 -1.999 1.00 64.54 H new ATOM 0 HE1 PHE A 10 7.022 3.824 -4.915 1.00 1.34 H new ATOM 0 HE2 PHE A 10 4.120 0.741 -4.418 1.00 75.52 H new ATOM 0 HZ PHE A 10 5.362 2.283 -5.884 1.00 22.31 H new ATOM 158 N HIS A 11 7.797 -0.225 -1.780 1.00 1.21 N ATOM 159 CA HIS A 11 7.716 -1.616 -2.234 1.00 35.32 C ATOM 160 C HIS A 11 8.753 -2.488 -1.532 1.00 64.12 C ATOM 161 O HIS A 11 8.574 -3.695 -1.405 1.00 43.34 O ATOM 162 CB HIS A 11 7.845 -1.738 -3.767 1.00 51.34 C ATOM 163 CG HIS A 11 9.089 -1.143 -4.373 1.00 42.45 C ATOM 164 ND1 HIS A 11 10.311 -1.784 -4.407 1.00 2.30 N ATOM 165 CD2 HIS A 11 9.275 0.037 -5.011 1.00 21.25 C ATOM 166 CE1 HIS A 11 11.187 -1.024 -5.039 1.00 51.30 C ATOM 167 NE2 HIS A 11 10.585 0.086 -5.416 1.00 63.24 N ATOM 0 H HIS A 11 8.087 0.443 -2.495 1.00 1.21 H new ATOM 0 HA HIS A 11 6.724 -1.978 -1.963 1.00 35.32 H new ATOM 0 HB2 HIS A 11 7.805 -2.794 -4.032 1.00 51.34 H new ATOM 0 HB3 HIS A 11 6.978 -1.261 -4.224 1.00 51.34 H new ATOM 0 HD2 HIS A 11 8.528 0.800 -5.172 1.00 21.25 H new ATOM 0 HE1 HIS A 11 12.223 -1.271 -5.217 1.00 51.30 H new ATOM 0 HE2 HIS A 11 11.021 0.855 -5.925 1.00 63.24 H new ATOM 176 N ASP A 12 9.838 -1.872 -1.084 1.00 70.11 N ATOM 177 CA ASP A 12 10.860 -2.575 -0.329 1.00 45.33 C ATOM 178 C ASP A 12 10.438 -2.704 1.130 1.00 4.53 C ATOM 179 O ASP A 12 10.543 -3.774 1.730 1.00 30.24 O ATOM 180 CB ASP A 12 12.196 -1.835 -0.415 1.00 62.14 C ATOM 181 CG ASP A 12 12.604 -1.484 -1.830 1.00 41.35 C ATOM 182 OD1 ASP A 12 12.826 -2.403 -2.641 1.00 44.44 O ATOM 183 OD2 ASP A 12 12.698 -0.274 -2.137 1.00 14.13 O ATOM 0 H ASP A 12 10.032 -0.882 -1.233 1.00 70.11 H new ATOM 0 HA ASP A 12 10.981 -3.570 -0.758 1.00 45.33 H new ATOM 0 HB2 ASP A 12 12.134 -0.920 0.174 1.00 62.14 H new ATOM 0 HB3 ASP A 12 12.973 -2.452 0.036 1.00 62.14 H new ATOM 188 N PHE A 13 9.959 -1.596 1.689 1.00 61.00 N ATOM 189 CA PHE A 13 9.524 -1.549 3.082 1.00 51.32 C ATOM 190 C PHE A 13 8.385 -2.528 3.331 1.00 52.21 C ATOM 191 O PHE A 13 8.456 -3.354 4.241 1.00 20.21 O ATOM 192 CB PHE A 13 9.080 -0.126 3.449 1.00 61.20 C ATOM 193 CG PHE A 13 8.633 0.034 4.880 1.00 64.22 C ATOM 194 CD1 PHE A 13 7.311 -0.182 5.241 1.00 54.10 C ATOM 195 CD2 PHE A 13 9.535 0.409 5.862 1.00 3.22 C ATOM 196 CE1 PHE A 13 6.899 -0.030 6.552 1.00 63.41 C ATOM 197 CE2 PHE A 13 9.130 0.564 7.174 1.00 60.12 C ATOM 198 CZ PHE A 13 7.810 0.344 7.519 1.00 30.32 C ATOM 0 H PHE A 13 9.862 -0.710 1.193 1.00 61.00 H new ATOM 0 HA PHE A 13 10.367 -1.836 3.711 1.00 51.32 H new ATOM 0 HB2 PHE A 13 9.906 0.560 3.260 1.00 61.20 H new ATOM 0 HB3 PHE A 13 8.263 0.169 2.790 1.00 61.20 H new ATOM 0 HD1 PHE A 13 6.594 -0.473 4.488 1.00 54.10 H new ATOM 0 HD2 PHE A 13 10.568 0.582 5.599 1.00 3.22 H new ATOM 0 HE1 PHE A 13 5.867 -0.203 6.819 1.00 63.41 H new ATOM 0 HE2 PHE A 13 9.844 0.857 7.929 1.00 60.12 H new ATOM 0 HZ PHE A 13 7.492 0.465 8.544 1.00 30.32 H new ATOM 208 N VAL A 14 7.340 -2.435 2.513 1.00 31.05 N ATOM 209 CA VAL A 14 6.161 -3.274 2.677 1.00 33.42 C ATOM 210 C VAL A 14 6.522 -4.748 2.539 1.00 71.44 C ATOM 211 O VAL A 14 5.954 -5.592 3.224 1.00 43.13 O ATOM 212 CB VAL A 14 5.044 -2.904 1.669 1.00 1.22 C ATOM 213 CG1 VAL A 14 3.837 -3.817 1.829 1.00 70.10 C ATOM 214 CG2 VAL A 14 4.629 -1.452 1.844 1.00 15.14 C ATOM 0 H VAL A 14 7.288 -1.785 1.729 1.00 31.05 H new ATOM 0 HA VAL A 14 5.778 -3.095 3.682 1.00 33.42 H new ATOM 0 HB VAL A 14 5.443 -3.038 0.663 1.00 1.22 H new ATOM 0 HG11 VAL A 14 3.069 -3.534 1.109 1.00 70.10 H new ATOM 0 HG12 VAL A 14 4.136 -4.850 1.653 1.00 70.10 H new ATOM 0 HG13 VAL A 14 3.440 -3.721 2.840 1.00 70.10 H new ATOM 0 HG21 VAL A 14 3.844 -1.209 1.128 1.00 15.14 H new ATOM 0 HG22 VAL A 14 4.256 -1.300 2.857 1.00 15.14 H new ATOM 0 HG23 VAL A 14 5.489 -0.805 1.673 1.00 15.14 H new ATOM 224 N ALA A 15 7.493 -5.055 1.684 1.00 4.00 N ATOM 225 CA ALA A 15 7.928 -6.433 1.500 1.00 4.23 C ATOM 226 C ALA A 15 8.473 -7.009 2.805 1.00 32.00 C ATOM 227 O ALA A 15 8.192 -8.155 3.156 1.00 72.13 O ATOM 228 CB ALA A 15 8.978 -6.519 0.402 1.00 23.44 C ATOM 0 H ALA A 15 7.990 -4.372 1.112 1.00 4.00 H new ATOM 0 HA ALA A 15 7.063 -7.025 1.200 1.00 4.23 H new ATOM 0 HB1 ALA A 15 9.291 -7.556 0.279 1.00 23.44 H new ATOM 0 HB2 ALA A 15 8.556 -6.153 -0.534 1.00 23.44 H new ATOM 0 HB3 ALA A 15 9.840 -5.910 0.674 1.00 23.44 H new ATOM 234 N SER A 16 9.231 -6.200 3.531 1.00 51.11 N ATOM 235 CA SER A 16 9.817 -6.637 4.791 1.00 40.11 C ATOM 236 C SER A 16 8.784 -6.582 5.914 1.00 23.33 C ATOM 237 O SER A 16 8.734 -7.466 6.771 1.00 52.24 O ATOM 238 CB SER A 16 11.026 -5.761 5.143 1.00 34.45 C ATOM 239 OG SER A 16 11.763 -6.299 6.234 1.00 60.23 O ATOM 0 H SER A 16 9.455 -5.240 3.270 1.00 51.11 H new ATOM 0 HA SER A 16 10.148 -7.669 4.677 1.00 40.11 H new ATOM 0 HB2 SER A 16 11.676 -5.671 4.273 1.00 34.45 H new ATOM 0 HB3 SER A 16 10.687 -4.756 5.393 1.00 34.45 H new ATOM 0 HG SER A 16 12.608 -5.812 6.330 1.00 60.23 H new ATOM 245 N TYR A 17 7.951 -5.547 5.901 1.00 22.41 N ATOM 246 CA TYR A 17 6.973 -5.344 6.963 1.00 35.13 C ATOM 247 C TYR A 17 5.846 -6.371 6.866 1.00 13.45 C ATOM 248 O TYR A 17 5.371 -6.876 7.882 1.00 53.31 O ATOM 249 CB TYR A 17 6.415 -3.920 6.908 1.00 2.12 C ATOM 250 CG TYR A 17 5.721 -3.489 8.181 1.00 42.23 C ATOM 251 CD1 TYR A 17 6.422 -3.410 9.378 1.00 30.33 C ATOM 252 CD2 TYR A 17 4.373 -3.151 8.188 1.00 20.12 C ATOM 253 CE1 TYR A 17 5.800 -3.015 10.547 1.00 53.24 C ATOM 254 CE2 TYR A 17 3.743 -2.753 9.354 1.00 40.24 C ATOM 255 CZ TYR A 17 4.461 -2.685 10.529 1.00 21.54 C ATOM 256 OH TYR A 17 3.837 -2.288 11.692 1.00 24.31 O ATOM 0 H TYR A 17 7.933 -4.837 5.169 1.00 22.41 H new ATOM 0 HA TYR A 17 7.473 -5.482 7.922 1.00 35.13 H new ATOM 0 HB2 TYR A 17 7.230 -3.228 6.697 1.00 2.12 H new ATOM 0 HB3 TYR A 17 5.712 -3.847 6.079 1.00 2.12 H new ATOM 0 HD1 TYR A 17 7.472 -3.662 9.395 1.00 30.33 H new ATOM 0 HD2 TYR A 17 3.808 -3.200 7.269 1.00 20.12 H new ATOM 0 HE1 TYR A 17 6.359 -2.965 11.470 1.00 53.24 H new ATOM 0 HE2 TYR A 17 2.694 -2.497 9.344 1.00 40.24 H new ATOM 0 HH TYR A 17 2.895 -2.091 11.507 1.00 24.31 H new ATOM 266 N MET A 18 5.442 -6.691 5.641 1.00 24.23 N ATOM 267 CA MET A 18 4.433 -7.721 5.399 1.00 74.43 C ATOM 268 C MET A 18 4.918 -9.054 5.946 1.00 61.34 C ATOM 269 O MET A 18 4.149 -9.818 6.523 1.00 52.53 O ATOM 270 CB MET A 18 4.157 -7.851 3.894 1.00 51.50 C ATOM 271 CG MET A 18 2.999 -8.773 3.532 1.00 75.22 C ATOM 272 SD MET A 18 1.381 -8.073 3.925 1.00 63.20 S ATOM 273 CE MET A 18 1.455 -6.505 3.053 1.00 41.34 C ATOM 0 H MET A 18 5.800 -6.249 4.794 1.00 24.23 H new ATOM 0 HA MET A 18 3.511 -7.435 5.905 1.00 74.43 H new ATOM 0 HB2 MET A 18 3.953 -6.859 3.490 1.00 51.50 H new ATOM 0 HB3 MET A 18 5.060 -8.216 3.404 1.00 51.50 H new ATOM 0 HG2 MET A 18 3.041 -8.997 2.466 1.00 75.22 H new ATOM 0 HG3 MET A 18 3.117 -9.718 4.062 1.00 75.22 H new ATOM 0 HE1 MET A 18 0.444 -6.162 2.835 1.00 41.34 H new ATOM 0 HE2 MET A 18 1.963 -5.767 3.674 1.00 41.34 H new ATOM 0 HE3 MET A 18 2.003 -6.633 2.120 1.00 41.34 H new ATOM 283 N LYS A 19 6.209 -9.309 5.776 1.00 1.53 N ATOM 284 CA LYS A 19 6.817 -10.544 6.244 1.00 53.14 C ATOM 285 C LYS A 19 6.955 -10.518 7.768 1.00 54.20 C ATOM 286 O LYS A 19 7.021 -11.564 8.415 1.00 64.42 O ATOM 287 CB LYS A 19 8.180 -10.741 5.564 1.00 32.12 C ATOM 288 CG LYS A 19 8.611 -12.197 5.437 1.00 45.21 C ATOM 289 CD LYS A 19 9.247 -12.727 6.712 1.00 74.32 C ATOM 290 CE LYS A 19 9.386 -14.241 6.677 1.00 73.21 C ATOM 291 NZ LYS A 19 10.180 -14.704 5.508 1.00 64.05 N ATOM 0 H LYS A 19 6.857 -8.671 5.314 1.00 1.53 H new ATOM 0 HA LYS A 19 6.178 -11.387 5.980 1.00 53.14 H new ATOM 0 HB2 LYS A 19 8.145 -10.296 4.569 1.00 32.12 H new ATOM 0 HB3 LYS A 19 8.937 -10.198 6.129 1.00 32.12 H new ATOM 0 HG2 LYS A 19 7.745 -12.809 5.185 1.00 45.21 H new ATOM 0 HG3 LYS A 19 9.319 -12.293 4.614 1.00 45.21 H new ATOM 0 HD2 LYS A 19 10.229 -12.273 6.846 1.00 74.32 H new ATOM 0 HD3 LYS A 19 8.642 -12.436 7.570 1.00 74.32 H new ATOM 0 HE2 LYS A 19 9.863 -14.582 7.596 1.00 73.21 H new ATOM 0 HE3 LYS A 19 8.395 -14.695 6.644 1.00 73.21 H new ATOM 0 HZ1 LYS A 19 10.350 -15.727 5.587 1.00 64.05 H new ATOM 0 HZ2 LYS A 19 9.655 -14.507 4.632 1.00 64.05 H new ATOM 0 HZ3 LYS A 19 11.091 -14.202 5.486 1.00 64.05 H new ATOM 305 N THR A 20 6.971 -9.317 8.339 1.00 50.31 N ATOM 306 CA THR A 20 7.090 -9.154 9.781 1.00 52.03 C ATOM 307 C THR A 20 5.885 -9.764 10.498 1.00 35.53 C ATOM 308 O THR A 20 6.038 -10.645 11.345 1.00 10.21 O ATOM 309 CB THR A 20 7.230 -7.666 10.168 1.00 43.12 C ATOM 310 OG1 THR A 20 8.352 -7.087 9.491 1.00 0.51 O ATOM 311 CG2 THR A 20 7.406 -7.499 11.671 1.00 0.32 C ATOM 0 H THR A 20 6.903 -8.441 7.821 1.00 50.31 H new ATOM 0 HA THR A 20 7.992 -9.679 10.095 1.00 52.03 H new ATOM 0 HB THR A 20 6.314 -7.156 9.869 1.00 43.12 H new ATOM 0 HG1 THR A 20 8.313 -7.315 8.539 1.00 0.51 H new ATOM 0 HG21 THR A 20 7.502 -6.440 11.911 1.00 0.32 H new ATOM 0 HG22 THR A 20 6.539 -7.911 12.187 1.00 0.32 H new ATOM 0 HG23 THR A 20 8.304 -8.026 11.993 1.00 0.32 H new ATOM 319 N TYR A 21 4.682 -9.319 10.146 1.00 60.01 N ATOM 320 CA TYR A 21 3.483 -9.845 10.771 1.00 3.34 C ATOM 321 C TYR A 21 2.969 -11.082 10.036 1.00 42.13 C ATOM 322 O TYR A 21 2.005 -11.713 10.474 1.00 54.42 O ATOM 323 CB TYR A 21 2.392 -8.776 10.880 1.00 20.21 C ATOM 324 CG TYR A 21 2.137 -7.977 9.623 1.00 53.42 C ATOM 325 CD1 TYR A 21 1.406 -8.508 8.568 1.00 52.11 C ATOM 326 CD2 TYR A 21 2.609 -6.678 9.503 1.00 33.41 C ATOM 327 CE1 TYR A 21 1.158 -7.766 7.431 1.00 5.42 C ATOM 328 CE2 TYR A 21 2.360 -5.930 8.371 1.00 61.24 C ATOM 329 CZ TYR A 21 1.637 -6.478 7.340 1.00 75.42 C ATOM 330 OH TYR A 21 1.386 -5.731 6.215 1.00 64.54 O ATOM 0 H TYR A 21 4.517 -8.603 9.439 1.00 60.01 H new ATOM 0 HA TYR A 21 3.751 -10.147 11.783 1.00 3.34 H new ATOM 0 HB2 TYR A 21 1.462 -9.260 11.177 1.00 20.21 H new ATOM 0 HB3 TYR A 21 2.662 -8.086 11.680 1.00 20.21 H new ATOM 0 HD1 TYR A 21 1.026 -9.516 8.638 1.00 52.11 H new ATOM 0 HD2 TYR A 21 3.181 -6.245 10.310 1.00 33.41 H new ATOM 0 HE1 TYR A 21 0.591 -8.193 6.617 1.00 5.42 H new ATOM 0 HE2 TYR A 21 2.732 -4.919 8.296 1.00 61.24 H new ATOM 0 HH TYR A 21 0.826 -6.247 5.598 1.00 64.54 H new ATOM 340 N SER A 22 3.634 -11.434 8.935 1.00 14.43 N ATOM 341 CA SER A 22 3.348 -12.678 8.213 1.00 2.31 C ATOM 342 C SER A 22 3.471 -13.890 9.138 1.00 15.22 C ATOM 343 O SER A 22 2.947 -14.964 8.841 1.00 71.41 O ATOM 344 CB SER A 22 4.303 -12.834 7.021 1.00 4.12 C ATOM 345 OG SER A 22 4.080 -14.051 6.329 1.00 71.34 O ATOM 0 H SER A 22 4.378 -10.873 8.521 1.00 14.43 H new ATOM 0 HA SER A 22 2.323 -12.626 7.847 1.00 2.31 H new ATOM 0 HB2 SER A 22 4.171 -11.996 6.336 1.00 4.12 H new ATOM 0 HB3 SER A 22 5.334 -12.799 7.373 1.00 4.12 H new ATOM 0 HG SER A 22 3.853 -13.859 5.395 1.00 71.34 H new ATOM 351 N ARG A 23 4.162 -13.700 10.259 1.00 42.11 N ATOM 352 CA ARG A 23 4.290 -14.724 11.290 1.00 73.41 C ATOM 353 C ARG A 23 2.921 -15.266 11.698 1.00 73.10 C ATOM 354 O ARG A 23 2.766 -16.457 11.965 1.00 35.30 O ATOM 355 CB ARG A 23 5.010 -14.136 12.506 1.00 33.54 C ATOM 356 CG ARG A 23 4.332 -12.900 13.078 1.00 3.20 C ATOM 357 CD ARG A 23 5.140 -12.286 14.207 1.00 4.43 C ATOM 358 NE ARG A 23 5.213 -13.163 15.372 1.00 15.44 N ATOM 359 CZ ARG A 23 5.890 -12.872 16.480 1.00 34.24 C ATOM 360 NH1 ARG A 23 6.544 -11.721 16.586 1.00 51.53 N ATOM 361 NH2 ARG A 23 5.907 -13.729 17.489 1.00 2.02 N ATOM 0 H ARG A 23 4.649 -12.831 10.478 1.00 42.11 H new ATOM 0 HA ARG A 23 4.872 -15.553 10.888 1.00 73.41 H new ATOM 0 HB2 ARG A 23 5.073 -14.898 13.283 1.00 33.54 H new ATOM 0 HB3 ARG A 23 6.032 -13.882 12.225 1.00 33.54 H new ATOM 0 HG2 ARG A 23 4.193 -12.163 12.287 1.00 3.20 H new ATOM 0 HG3 ARG A 23 3.340 -13.166 13.444 1.00 3.20 H new ATOM 0 HD2 ARG A 23 6.148 -12.069 13.854 1.00 4.43 H new ATOM 0 HD3 ARG A 23 4.692 -11.336 14.497 1.00 4.43 H new ATOM 0 HE ARG A 23 4.715 -14.052 15.334 1.00 15.44 H new ATOM 0 HH11 ARG A 23 6.529 -11.053 15.815 1.00 51.53 H new ATOM 0 HH12 ARG A 23 7.061 -11.505 17.438 1.00 51.53 H new ATOM 0 HH21 ARG A 23 5.401 -14.612 17.417 1.00 2.02 H new ATOM 0 HH22 ARG A 23 6.426 -13.506 18.339 1.00 2.02 H new ATOM 375 N ARG A 24 1.926 -14.391 11.717 1.00 11.24 N ATOM 376 CA ARG A 24 0.576 -14.783 12.092 1.00 33.12 C ATOM 377 C ARG A 24 -0.377 -14.696 10.905 1.00 62.12 C ATOM 378 O ARG A 24 -1.590 -14.848 11.060 1.00 3.35 O ATOM 379 CB ARG A 24 0.058 -13.922 13.241 1.00 73.42 C ATOM 380 CG ARG A 24 0.744 -14.199 14.569 1.00 64.44 C ATOM 381 CD ARG A 24 0.061 -13.462 15.706 1.00 72.11 C ATOM 382 NE ARG A 24 0.629 -13.812 17.005 1.00 54.53 N ATOM 383 CZ ARG A 24 -0.017 -14.522 17.931 1.00 4.12 C ATOM 384 NH1 ARG A 24 -1.229 -15.005 17.680 1.00 62.44 N ATOM 385 NH2 ARG A 24 0.559 -14.766 19.096 1.00 44.41 N ATOM 0 H ARG A 24 2.028 -13.405 11.477 1.00 11.24 H new ATOM 0 HA ARG A 24 0.619 -15.821 12.422 1.00 33.12 H new ATOM 0 HB2 ARG A 24 0.192 -12.871 12.985 1.00 73.42 H new ATOM 0 HB3 ARG A 24 -1.013 -14.088 13.354 1.00 73.42 H new ATOM 0 HG2 ARG A 24 0.734 -15.270 14.769 1.00 64.44 H new ATOM 0 HG3 ARG A 24 1.789 -13.895 14.511 1.00 64.44 H new ATOM 0 HD2 ARG A 24 0.153 -12.387 15.548 1.00 72.11 H new ATOM 0 HD3 ARG A 24 -1.004 -13.695 15.701 1.00 72.11 H new ATOM 0 HE ARG A 24 1.575 -13.495 17.217 1.00 54.53 H new ATOM 0 HH11 ARG A 24 -1.669 -14.833 16.776 1.00 62.44 H new ATOM 0 HH12 ARG A 24 -1.719 -15.547 18.391 1.00 62.44 H new ATOM 0 HH21 ARG A 24 1.496 -14.411 19.286 1.00 44.41 H new ATOM 0 HH22 ARG A 24 0.066 -15.309 19.805 1.00 44.41 H new ATOM 399 N LEU A 25 0.172 -14.462 9.724 1.00 51.15 N ATOM 400 CA LEU A 25 -0.628 -14.432 8.510 1.00 71.21 C ATOM 401 C LEU A 25 -0.757 -15.831 7.950 1.00 12.32 C ATOM 402 O LEU A 25 0.245 -16.489 7.663 1.00 1.41 O ATOM 403 CB LEU A 25 -0.012 -13.512 7.452 1.00 51.15 C ATOM 404 CG LEU A 25 -0.693 -12.151 7.282 1.00 62.53 C ATOM 405 CD1 LEU A 25 -0.782 -11.412 8.607 1.00 21.31 C ATOM 406 CD2 LEU A 25 0.050 -11.316 6.248 1.00 62.23 C ATOM 0 H LEU A 25 1.167 -14.290 9.580 1.00 51.15 H new ATOM 0 HA LEU A 25 -1.612 -14.041 8.767 1.00 71.21 H new ATOM 0 HB2 LEU A 25 1.035 -13.345 7.706 1.00 51.15 H new ATOM 0 HB3 LEU A 25 -0.029 -14.029 6.493 1.00 51.15 H new ATOM 0 HG LEU A 25 -1.710 -12.321 6.929 1.00 62.53 H new ATOM 0 HD11 LEU A 25 -1.270 -10.449 8.455 1.00 21.31 H new ATOM 0 HD12 LEU A 25 -1.361 -12.004 9.316 1.00 21.31 H new ATOM 0 HD13 LEU A 25 0.221 -11.252 9.002 1.00 21.31 H new ATOM 0 HD21 LEU A 25 -0.444 -10.351 6.136 1.00 62.23 H new ATOM 0 HD22 LEU A 25 1.078 -11.162 6.576 1.00 62.23 H new ATOM 0 HD23 LEU A 25 0.049 -11.837 5.291 1.00 62.23 H new ATOM 418 N GLU A 26 -1.986 -16.289 7.822 1.00 72.51 N ATOM 419 CA GLU A 26 -2.254 -17.571 7.221 1.00 42.21 C ATOM 420 C GLU A 26 -1.932 -17.537 5.736 1.00 31.23 C ATOM 421 O GLU A 26 -1.774 -16.466 5.141 1.00 21.32 O ATOM 422 CB GLU A 26 -3.710 -17.954 7.429 1.00 34.44 C ATOM 423 CG GLU A 26 -4.082 -18.207 8.876 1.00 25.24 C ATOM 424 CD GLU A 26 -5.551 -18.522 9.035 1.00 5.22 C ATOM 425 OE1 GLU A 26 -6.369 -17.580 8.991 1.00 23.04 O ATOM 426 OE2 GLU A 26 -5.898 -19.714 9.182 1.00 33.12 O ATOM 0 H GLU A 26 -2.818 -15.785 8.130 1.00 72.51 H new ATOM 0 HA GLU A 26 -1.620 -18.318 7.700 1.00 42.21 H new ATOM 0 HB2 GLU A 26 -4.344 -17.159 7.036 1.00 34.44 H new ATOM 0 HB3 GLU A 26 -3.926 -18.850 6.847 1.00 34.44 H new ATOM 0 HG2 GLU A 26 -3.489 -19.036 9.263 1.00 25.24 H new ATOM 0 HG3 GLU A 26 -3.832 -17.330 9.473 1.00 25.24 H new ATOM 433 N ILE A 27 -1.853 -18.712 5.144 1.00 63.24 N ATOM 434 CA ILE A 27 -1.461 -18.842 3.750 1.00 65.34 C ATOM 435 C ILE A 27 -2.441 -18.112 2.833 1.00 23.51 C ATOM 436 O ILE A 27 -2.034 -17.510 1.841 1.00 20.31 O ATOM 437 CB ILE A 27 -1.366 -20.330 3.342 1.00 0.33 C ATOM 438 CG1 ILE A 27 -0.427 -21.079 4.295 1.00 73.05 C ATOM 439 CG2 ILE A 27 -0.885 -20.466 1.903 1.00 62.13 C ATOM 440 CD1 ILE A 27 -0.343 -22.565 4.019 1.00 54.44 C ATOM 0 H ILE A 27 -2.056 -19.597 5.608 1.00 63.24 H new ATOM 0 HA ILE A 27 -0.478 -18.384 3.640 1.00 65.34 H new ATOM 0 HB ILE A 27 -2.360 -20.771 3.410 1.00 0.33 H new ATOM 0 HG12 ILE A 27 0.571 -20.647 4.222 1.00 73.05 H new ATOM 0 HG13 ILE A 27 -0.766 -20.927 5.320 1.00 73.05 H new ATOM 0 HG21 ILE A 27 -0.826 -21.521 1.637 1.00 62.13 H new ATOM 0 HG22 ILE A 27 -1.585 -19.963 1.236 1.00 62.13 H new ATOM 0 HG23 ILE A 27 0.101 -20.011 1.804 1.00 62.13 H new ATOM 0 HD11 ILE A 27 0.339 -23.029 4.731 1.00 54.44 H new ATOM 0 HD12 ILE A 27 -1.333 -23.010 4.121 1.00 54.44 H new ATOM 0 HD13 ILE A 27 0.025 -22.727 3.006 1.00 54.44 H new ATOM 452 N GLY A 28 -3.720 -18.141 3.200 1.00 30.31 N ATOM 453 CA GLY A 28 -4.758 -17.537 2.384 1.00 34.44 C ATOM 454 C GLY A 28 -4.498 -16.077 2.056 1.00 13.24 C ATOM 455 O GLY A 28 -4.371 -15.717 0.885 1.00 33.43 O ATOM 0 H GLY A 28 -4.058 -18.577 4.058 1.00 30.31 H new ATOM 0 HA2 GLY A 28 -4.852 -18.099 1.455 1.00 34.44 H new ATOM 0 HA3 GLY A 28 -5.712 -17.620 2.904 1.00 34.44 H new ATOM 459 N THR A 29 -4.408 -15.236 3.078 1.00 20.41 N ATOM 460 CA THR A 29 -4.218 -13.807 2.864 1.00 63.23 C ATOM 461 C THR A 29 -2.843 -13.511 2.255 1.00 63.30 C ATOM 462 O THR A 29 -2.711 -12.637 1.391 1.00 62.41 O ATOM 463 CB THR A 29 -4.407 -12.998 4.175 1.00 3.25 C ATOM 464 OG1 THR A 29 -4.330 -11.590 3.910 1.00 72.10 O ATOM 465 CG2 THR A 29 -3.367 -13.373 5.224 1.00 4.14 C ATOM 0 H THR A 29 -4.463 -15.516 4.057 1.00 20.41 H new ATOM 0 HA THR A 29 -4.985 -13.490 2.157 1.00 63.23 H new ATOM 0 HB THR A 29 -5.394 -13.244 4.567 1.00 3.25 H new ATOM 0 HG1 THR A 29 -4.452 -11.093 4.746 1.00 72.10 H new ATOM 0 HG21 THR A 29 -3.533 -12.785 6.127 1.00 4.14 H new ATOM 0 HG22 THR A 29 -3.454 -14.434 5.460 1.00 4.14 H new ATOM 0 HG23 THR A 29 -2.369 -13.169 4.836 1.00 4.14 H new ATOM 473 N PHE A 30 -1.830 -14.262 2.679 1.00 41.05 N ATOM 474 CA PHE A 30 -0.463 -14.017 2.237 1.00 42.41 C ATOM 475 C PHE A 30 -0.311 -14.240 0.731 1.00 0.22 C ATOM 476 O PHE A 30 0.281 -13.416 0.032 1.00 23.24 O ATOM 477 CB PHE A 30 0.510 -14.917 3.002 1.00 54.44 C ATOM 478 CG PHE A 30 1.945 -14.500 2.851 1.00 4.11 C ATOM 479 CD1 PHE A 30 2.387 -13.295 3.378 1.00 31.51 C ATOM 480 CD2 PHE A 30 2.851 -15.311 2.189 1.00 50.01 C ATOM 481 CE1 PHE A 30 3.706 -12.908 3.244 1.00 53.32 C ATOM 482 CE2 PHE A 30 4.171 -14.929 2.052 1.00 2.44 C ATOM 483 CZ PHE A 30 4.600 -13.726 2.580 1.00 34.03 C ATOM 0 H PHE A 30 -1.931 -15.043 3.327 1.00 41.05 H new ATOM 0 HA PHE A 30 -0.228 -12.973 2.447 1.00 42.41 H new ATOM 0 HB2 PHE A 30 0.246 -14.911 4.059 1.00 54.44 H new ATOM 0 HB3 PHE A 30 0.398 -15.943 2.652 1.00 54.44 H new ATOM 0 HD1 PHE A 30 1.692 -12.653 3.899 1.00 31.51 H new ATOM 0 HD2 PHE A 30 2.522 -16.253 1.775 1.00 50.01 H new ATOM 0 HE1 PHE A 30 4.038 -11.967 3.658 1.00 53.32 H new ATOM 0 HE2 PHE A 30 4.868 -15.570 1.532 1.00 2.44 H new ATOM 0 HZ PHE A 30 5.632 -13.426 2.474 1.00 34.03 H new ATOM 493 N ARG A 31 -0.861 -15.344 0.233 1.00 43.44 N ATOM 494 CA ARG A 31 -0.728 -15.703 -1.178 1.00 43.24 C ATOM 495 C ARG A 31 -1.610 -14.826 -2.063 1.00 43.32 C ATOM 496 O ARG A 31 -1.375 -14.709 -3.265 1.00 42.54 O ATOM 497 CB ARG A 31 -1.080 -17.182 -1.391 1.00 42.12 C ATOM 498 CG ARG A 31 -2.534 -17.514 -1.101 1.00 72.22 C ATOM 499 CD ARG A 31 -2.796 -19.007 -1.172 1.00 32.42 C ATOM 500 NE ARG A 31 -2.662 -19.532 -2.528 1.00 72.11 N ATOM 501 CZ ARG A 31 -2.969 -20.779 -2.876 1.00 31.42 C ATOM 502 NH1 ARG A 31 -3.369 -21.652 -1.957 1.00 62.15 N ATOM 503 NH2 ARG A 31 -2.869 -21.155 -4.141 1.00 33.24 N ATOM 0 H ARG A 31 -1.404 -16.007 0.786 1.00 43.44 H new ATOM 0 HA ARG A 31 0.311 -15.537 -1.463 1.00 43.24 H new ATOM 0 HB2 ARG A 31 -0.853 -17.455 -2.422 1.00 42.12 H new ATOM 0 HB3 ARG A 31 -0.443 -17.793 -0.752 1.00 42.12 H new ATOM 0 HG2 ARG A 31 -2.801 -17.145 -0.111 1.00 72.22 H new ATOM 0 HG3 ARG A 31 -3.174 -16.998 -1.816 1.00 72.22 H new ATOM 0 HD2 ARG A 31 -2.100 -19.527 -0.514 1.00 32.42 H new ATOM 0 HD3 ARG A 31 -3.800 -19.215 -0.802 1.00 32.42 H new ATOM 0 HE ARG A 31 -2.312 -18.905 -3.252 1.00 72.11 H new ATOM 0 HH11 ARG A 31 -3.442 -21.367 -0.980 1.00 62.15 H new ATOM 0 HH12 ARG A 31 -3.603 -22.607 -2.228 1.00 62.15 H new ATOM 0 HH21 ARG A 31 -2.557 -20.489 -4.848 1.00 33.24 H new ATOM 0 HH22 ARG A 31 -3.104 -22.111 -4.409 1.00 33.24 H new ATOM 517 N HIS A 32 -2.622 -14.211 -1.463 1.00 70.42 N ATOM 518 CA HIS A 32 -3.592 -13.416 -2.213 1.00 52.43 C ATOM 519 C HIS A 32 -2.978 -12.136 -2.777 1.00 52.25 C ATOM 520 O HIS A 32 -2.972 -11.928 -3.989 1.00 44.02 O ATOM 521 CB HIS A 32 -4.796 -13.067 -1.336 1.00 1.01 C ATOM 522 CG HIS A 32 -6.013 -13.880 -1.644 1.00 25.13 C ATOM 523 ND1 HIS A 32 -6.361 -15.139 -1.287 1.00 71.01 N flip ATOM 524 CD2 HIS A 32 -7.051 -13.404 -2.412 1.00 21.33 C flip ATOM 525 CE1 HIS A 32 -7.591 -15.395 -1.838 1.00 53.35 C flip ATOM 526 NE2 HIS A 32 -7.983 -14.331 -2.512 1.00 5.13 N flip ATOM 0 H HIS A 32 -2.794 -14.246 -0.458 1.00 70.42 H new ATOM 0 HA HIS A 32 -3.919 -14.028 -3.054 1.00 52.43 H new ATOM 0 HB2 HIS A 32 -4.527 -13.211 -0.290 1.00 1.01 H new ATOM 0 HB3 HIS A 32 -5.033 -12.011 -1.461 1.00 1.01 H new ATOM 0 HD1 HIS A 32 -5.810 -15.779 -0.714 1.00 71.01 H new ATOM 0 HD2 HIS A 32 -7.095 -12.424 -2.863 1.00 21.33 H new ATOM 0 HE1 HIS A 32 -8.147 -16.316 -1.737 1.00 53.35 H new ATOM 535 N HIS A 33 -2.453 -11.287 -1.902 1.00 4.42 N ATOM 536 CA HIS A 33 -1.972 -9.967 -2.319 1.00 4.41 C ATOM 537 C HIS A 33 -0.453 -9.940 -2.484 1.00 53.41 C ATOM 538 O HIS A 33 0.165 -8.878 -2.430 1.00 23.43 O ATOM 539 CB HIS A 33 -2.422 -8.887 -1.322 1.00 50.31 C ATOM 540 CG HIS A 33 -1.981 -9.111 0.097 1.00 21.51 C ATOM 541 ND1 HIS A 33 -2.827 -9.579 1.079 1.00 15.01 N ATOM 542 CD2 HIS A 33 -0.785 -8.906 0.703 1.00 53.23 C ATOM 543 CE1 HIS A 33 -2.175 -9.652 2.224 1.00 13.15 C ATOM 544 NE2 HIS A 33 -0.933 -9.251 2.024 1.00 44.35 N ATOM 0 H HIS A 33 -2.348 -11.482 -0.906 1.00 4.42 H new ATOM 0 HA HIS A 33 -2.412 -9.754 -3.293 1.00 4.41 H new ATOM 0 HB2 HIS A 33 -2.041 -7.922 -1.657 1.00 50.31 H new ATOM 0 HB3 HIS A 33 -3.510 -8.825 -1.343 1.00 50.31 H new ATOM 0 HD2 HIS A 33 0.116 -8.540 0.234 1.00 53.23 H new ATOM 0 HE1 HIS A 33 -2.588 -9.984 3.165 1.00 13.15 H new ATOM 0 HE2 HIS A 33 -0.203 -9.205 2.735 1.00 44.35 H new ATOM 553 N LYS A 34 0.139 -11.102 -2.706 1.00 22.23 N ATOM 554 CA LYS A 34 1.572 -11.218 -2.861 1.00 2.33 C ATOM 555 C LYS A 34 2.038 -10.670 -4.212 1.00 51.12 C ATOM 556 O LYS A 34 2.976 -9.875 -4.285 1.00 15.12 O ATOM 557 CB LYS A 34 1.942 -12.686 -2.731 1.00 63.22 C ATOM 558 CG LYS A 34 3.423 -12.962 -2.830 1.00 4.51 C ATOM 559 CD LYS A 34 3.677 -14.450 -2.890 1.00 31.42 C ATOM 560 CE LYS A 34 3.221 -15.160 -1.623 1.00 2.25 C ATOM 561 NZ LYS A 34 3.434 -16.631 -1.702 1.00 70.13 N ATOM 0 H LYS A 34 -0.362 -11.987 -2.783 1.00 22.23 H new ATOM 0 HA LYS A 34 2.067 -10.628 -2.090 1.00 2.33 H new ATOM 0 HB2 LYS A 34 1.578 -13.057 -1.773 1.00 63.22 H new ATOM 0 HB3 LYS A 34 1.426 -13.249 -3.508 1.00 63.22 H new ATOM 0 HG2 LYS A 34 3.831 -12.481 -3.719 1.00 4.51 H new ATOM 0 HG3 LYS A 34 3.938 -12.533 -1.970 1.00 4.51 H new ATOM 0 HD2 LYS A 34 3.156 -14.872 -3.749 1.00 31.42 H new ATOM 0 HD3 LYS A 34 4.741 -14.630 -3.043 1.00 31.42 H new ATOM 0 HE2 LYS A 34 3.765 -14.760 -0.767 1.00 2.25 H new ATOM 0 HE3 LYS A 34 2.164 -14.955 -1.453 1.00 2.25 H new ATOM 0 HZ1 LYS A 34 3.110 -17.076 -0.820 1.00 70.13 H new ATOM 0 HZ2 LYS A 34 2.895 -17.017 -2.503 1.00 70.13 H new ATOM 0 HZ3 LYS A 34 4.446 -16.828 -1.839 1.00 70.13 H new ATOM 575 N SER A 35 1.362 -11.088 -5.274 1.00 23.35 N ATOM 576 CA SER A 35 1.768 -10.748 -6.636 1.00 41.24 C ATOM 577 C SER A 35 1.491 -9.279 -6.964 1.00 13.32 C ATOM 578 O SER A 35 2.128 -8.705 -7.846 1.00 2.52 O ATOM 579 CB SER A 35 1.030 -11.650 -7.624 1.00 42.55 C ATOM 580 OG SER A 35 1.099 -13.005 -7.212 1.00 51.04 O ATOM 0 H SER A 35 0.524 -11.667 -5.220 1.00 23.35 H new ATOM 0 HA SER A 35 2.844 -10.904 -6.717 1.00 41.24 H new ATOM 0 HB2 SER A 35 -0.012 -11.340 -7.699 1.00 42.55 H new ATOM 0 HB3 SER A 35 1.466 -11.544 -8.617 1.00 42.55 H new ATOM 0 HG SER A 35 0.620 -13.567 -7.856 1.00 51.04 H new ATOM 586 N CYS A 36 0.558 -8.673 -6.233 1.00 51.34 N ATOM 587 CA CYS A 36 0.130 -7.302 -6.505 1.00 31.11 C ATOM 588 C CYS A 36 1.306 -6.330 -6.486 1.00 3.45 C ATOM 589 O CYS A 36 1.595 -5.671 -7.483 1.00 34.51 O ATOM 590 CB CYS A 36 -0.914 -6.862 -5.478 1.00 43.44 C ATOM 591 SG CYS A 36 -2.361 -7.942 -5.377 1.00 35.31 S ATOM 0 H CYS A 36 0.082 -9.112 -5.445 1.00 51.34 H new ATOM 0 HA CYS A 36 -0.307 -7.287 -7.503 1.00 31.11 H new ATOM 0 HB2 CYS A 36 -0.443 -6.813 -4.496 1.00 43.44 H new ATOM 0 HB3 CYS A 36 -1.245 -5.853 -5.723 1.00 43.44 H new ATOM 0 HG CYS A 36 -3.182 -7.485 -4.479 1.00 35.31 H new ATOM 597 N MET A 37 1.977 -6.246 -5.350 1.00 33.04 N ATOM 598 CA MET A 37 3.111 -5.345 -5.202 1.00 53.54 C ATOM 599 C MET A 37 4.317 -5.857 -5.983 1.00 14.35 C ATOM 600 O MET A 37 5.158 -5.075 -6.430 1.00 63.32 O ATOM 601 CB MET A 37 3.473 -5.179 -3.724 1.00 22.13 C ATOM 602 CG MET A 37 4.585 -4.170 -3.470 1.00 40.30 C ATOM 603 SD MET A 37 4.999 -4.011 -1.722 1.00 33.34 S ATOM 604 CE MET A 37 5.507 -5.686 -1.342 1.00 60.22 C ATOM 0 H MET A 37 1.757 -6.790 -4.516 1.00 33.04 H new ATOM 0 HA MET A 37 2.826 -4.374 -5.606 1.00 53.54 H new ATOM 0 HB2 MET A 37 2.584 -4.870 -3.175 1.00 22.13 H new ATOM 0 HB3 MET A 37 3.775 -6.147 -3.323 1.00 22.13 H new ATOM 0 HG2 MET A 37 5.475 -4.470 -4.024 1.00 40.30 H new ATOM 0 HG3 MET A 37 4.282 -3.197 -3.857 1.00 40.30 H new ATOM 0 HE1 MET A 37 6.351 -5.663 -0.653 1.00 60.22 H new ATOM 0 HE2 MET A 37 4.677 -6.222 -0.881 1.00 60.22 H new ATOM 0 HE3 MET A 37 5.802 -6.194 -2.260 1.00 60.22 H new ATOM 614 N ARG A 38 4.386 -7.171 -6.168 1.00 32.31 N ATOM 615 CA ARG A 38 5.544 -7.789 -6.796 1.00 31.32 C ATOM 616 C ARG A 38 5.622 -7.512 -8.291 1.00 63.14 C ATOM 617 O ARG A 38 6.712 -7.508 -8.858 1.00 1.00 O ATOM 618 CB ARG A 38 5.572 -9.292 -6.546 1.00 72.20 C ATOM 619 CG ARG A 38 6.489 -9.676 -5.399 1.00 43.33 C ATOM 620 CD ARG A 38 6.852 -11.148 -5.439 1.00 71.33 C ATOM 621 NE ARG A 38 8.022 -11.438 -4.612 1.00 20.23 N ATOM 622 CZ ARG A 38 9.089 -12.102 -5.044 1.00 44.43 C ATOM 623 NH1 ARG A 38 9.137 -12.539 -6.296 1.00 42.42 N ATOM 624 NH2 ARG A 38 10.108 -12.318 -4.226 1.00 4.55 N ATOM 0 H ARG A 38 3.654 -7.826 -5.892 1.00 32.31 H new ATOM 0 HA ARG A 38 6.418 -7.332 -6.331 1.00 31.32 H new ATOM 0 HB2 ARG A 38 4.562 -9.640 -6.331 1.00 72.20 H new ATOM 0 HB3 ARG A 38 5.898 -9.801 -7.453 1.00 72.20 H new ATOM 0 HG2 ARG A 38 7.398 -9.076 -5.443 1.00 43.33 H new ATOM 0 HG3 ARG A 38 6.002 -9.447 -4.451 1.00 43.33 H new ATOM 0 HD2 ARG A 38 6.006 -11.741 -5.093 1.00 71.33 H new ATOM 0 HD3 ARG A 38 7.051 -11.446 -6.468 1.00 71.33 H new ATOM 0 HE ARG A 38 8.019 -11.111 -3.646 1.00 20.23 H new ATOM 0 HH11 ARG A 38 8.355 -12.365 -6.927 1.00 42.42 H new ATOM 0 HH12 ARG A 38 9.956 -13.049 -6.627 1.00 42.42 H new ATOM 0 HH21 ARG A 38 10.073 -11.975 -3.266 1.00 4.55 H new ATOM 0 HH22 ARG A 38 10.928 -12.827 -4.556 1.00 4.55 H new ATOM 638 N LYS A 39 4.493 -7.276 -8.941 1.00 25.42 N ATOM 639 CA LYS A 39 4.531 -6.944 -10.361 1.00 41.21 C ATOM 640 C LYS A 39 5.076 -5.528 -10.550 1.00 61.14 C ATOM 641 O LYS A 39 5.586 -5.179 -11.613 1.00 73.25 O ATOM 642 CB LYS A 39 3.151 -7.095 -11.010 1.00 10.41 C ATOM 643 CG LYS A 39 2.098 -6.145 -10.474 1.00 53.55 C ATOM 644 CD LYS A 39 0.727 -6.471 -11.041 1.00 23.25 C ATOM 645 CE LYS A 39 -0.339 -5.522 -10.520 1.00 45.32 C ATOM 646 NZ LYS A 39 -1.706 -5.959 -10.910 1.00 33.30 N ATOM 0 H LYS A 39 3.562 -7.306 -8.525 1.00 25.42 H new ATOM 0 HA LYS A 39 5.198 -7.646 -10.860 1.00 41.21 H new ATOM 0 HB2 LYS A 39 3.250 -6.940 -12.084 1.00 10.41 H new ATOM 0 HB3 LYS A 39 2.806 -8.119 -10.866 1.00 10.41 H new ATOM 0 HG2 LYS A 39 2.069 -6.206 -9.386 1.00 53.55 H new ATOM 0 HG3 LYS A 39 2.366 -5.120 -10.729 1.00 53.55 H new ATOM 0 HD2 LYS A 39 0.761 -6.417 -12.129 1.00 23.25 H new ATOM 0 HD3 LYS A 39 0.460 -7.495 -10.781 1.00 23.25 H new ATOM 0 HE2 LYS A 39 -0.273 -5.462 -9.434 1.00 45.32 H new ATOM 0 HE3 LYS A 39 -0.154 -4.520 -10.906 1.00 45.32 H new ATOM 0 HZ1 LYS A 39 -2.405 -5.286 -10.536 1.00 33.30 H new ATOM 0 HZ2 LYS A 39 -1.777 -5.992 -11.947 1.00 33.30 H new ATOM 0 HZ3 LYS A 39 -1.893 -6.905 -10.520 1.00 33.30 H new ATOM 660 N PHE A 40 4.978 -4.724 -9.496 1.00 74.31 N ATOM 661 CA PHE A 40 5.501 -3.363 -9.505 1.00 24.44 C ATOM 662 C PHE A 40 6.960 -3.358 -9.049 1.00 21.32 C ATOM 663 O PHE A 40 7.604 -2.314 -8.971 1.00 73.25 O ATOM 664 CB PHE A 40 4.650 -2.487 -8.583 1.00 32.23 C ATOM 665 CG PHE A 40 4.769 -1.011 -8.844 1.00 42.04 C ATOM 666 CD1 PHE A 40 4.183 -0.446 -9.965 1.00 44.54 C ATOM 667 CD2 PHE A 40 5.458 -0.189 -7.967 1.00 11.05 C ATOM 668 CE1 PHE A 40 4.283 0.910 -10.208 1.00 54.01 C ATOM 669 CE2 PHE A 40 5.563 1.168 -8.204 1.00 3.15 C ATOM 670 CZ PHE A 40 4.974 1.719 -9.326 1.00 70.31 C ATOM 0 H PHE A 40 4.537 -4.995 -8.617 1.00 74.31 H new ATOM 0 HA PHE A 40 5.457 -2.963 -10.518 1.00 24.44 H new ATOM 0 HB2 PHE A 40 3.605 -2.779 -8.687 1.00 32.23 H new ATOM 0 HB3 PHE A 40 4.935 -2.685 -7.550 1.00 32.23 H new ATOM 0 HD1 PHE A 40 3.641 -1.073 -10.657 1.00 44.54 H new ATOM 0 HD2 PHE A 40 5.919 -0.614 -7.088 1.00 11.05 H new ATOM 0 HE1 PHE A 40 3.822 1.337 -11.086 1.00 54.01 H new ATOM 0 HE2 PHE A 40 6.105 1.797 -7.513 1.00 3.15 H new ATOM 0 HZ PHE A 40 5.053 2.780 -9.513 1.00 70.31 H new ATOM 680 N LYS A 41 7.477 -4.546 -8.760 1.00 43.41 N ATOM 681 CA LYS A 41 8.833 -4.698 -8.226 1.00 42.53 C ATOM 682 C LYS A 41 9.892 -4.495 -9.314 1.00 22.20 C ATOM 683 O LYS A 41 11.087 -4.679 -9.085 1.00 43.04 O ATOM 684 CB LYS A 41 8.981 -6.078 -7.570 1.00 52.42 C ATOM 685 CG LYS A 41 10.282 -6.284 -6.809 1.00 2.13 C ATOM 686 CD LYS A 41 10.375 -7.689 -6.226 1.00 73.25 C ATOM 687 CE LYS A 41 10.295 -8.760 -7.308 1.00 71.01 C ATOM 688 NZ LYS A 41 11.411 -8.659 -8.288 1.00 2.02 N ATOM 0 H LYS A 41 6.977 -5.426 -8.886 1.00 43.41 H new ATOM 0 HA LYS A 41 8.993 -3.927 -7.473 1.00 42.53 H new ATOM 0 HB2 LYS A 41 8.147 -6.231 -6.885 1.00 52.42 H new ATOM 0 HB3 LYS A 41 8.903 -6.843 -8.343 1.00 52.42 H new ATOM 0 HG2 LYS A 41 11.126 -6.110 -7.476 1.00 2.13 H new ATOM 0 HG3 LYS A 41 10.354 -5.551 -6.006 1.00 2.13 H new ATOM 0 HD2 LYS A 41 11.312 -7.794 -5.680 1.00 73.25 H new ATOM 0 HD3 LYS A 41 9.569 -7.838 -5.507 1.00 73.25 H new ATOM 0 HE2 LYS A 41 10.312 -9.745 -6.842 1.00 71.01 H new ATOM 0 HE3 LYS A 41 9.344 -8.672 -7.834 1.00 71.01 H new ATOM 0 HZ1 LYS A 41 11.372 -9.466 -8.943 1.00 2.02 H new ATOM 0 HZ2 LYS A 41 11.322 -7.773 -8.825 1.00 2.02 H new ATOM 0 HZ3 LYS A 41 12.319 -8.668 -7.782 1.00 2.02 H new ATOM 702 N GLU A 42 9.453 -4.102 -10.495 1.00 14.43 N ATOM 703 CA GLU A 42 10.371 -3.765 -11.570 1.00 72.24 C ATOM 704 C GLU A 42 10.526 -2.254 -11.667 1.00 53.32 C ATOM 705 O GLU A 42 11.121 -1.728 -12.608 1.00 70.13 O ATOM 706 CB GLU A 42 9.896 -4.362 -12.892 1.00 63.50 C ATOM 707 CG GLU A 42 10.046 -5.874 -12.946 1.00 42.03 C ATOM 708 CD GLU A 42 9.809 -6.443 -14.328 1.00 24.14 C ATOM 709 OE1 GLU A 42 10.731 -6.374 -15.168 1.00 73.01 O ATOM 710 OE2 GLU A 42 8.716 -6.988 -14.574 1.00 32.21 O ATOM 0 H GLU A 42 8.466 -4.008 -10.736 1.00 14.43 H new ATOM 0 HA GLU A 42 11.348 -4.195 -11.349 1.00 72.24 H new ATOM 0 HB2 GLU A 42 8.850 -4.100 -13.048 1.00 63.50 H new ATOM 0 HB3 GLU A 42 10.462 -3.916 -13.710 1.00 63.50 H new ATOM 0 HG2 GLU A 42 11.048 -6.146 -12.614 1.00 42.03 H new ATOM 0 HG3 GLU A 42 9.344 -6.328 -12.247 1.00 42.03 H new ATOM 717 N TYR A 43 9.977 -1.566 -10.676 1.00 13.42 N ATOM 718 CA TYR A 43 10.157 -0.135 -10.539 1.00 50.11 C ATOM 719 C TYR A 43 11.385 0.116 -9.672 1.00 23.33 C ATOM 720 O TYR A 43 11.338 -0.060 -8.453 1.00 41.15 O ATOM 721 CB TYR A 43 8.913 0.492 -9.902 1.00 62.01 C ATOM 722 CG TYR A 43 8.742 1.968 -10.188 1.00 52.00 C ATOM 723 CD1 TYR A 43 8.230 2.397 -11.406 1.00 72.42 C ATOM 724 CD2 TYR A 43 9.073 2.930 -9.241 1.00 2.21 C ATOM 725 CE1 TYR A 43 8.053 3.739 -11.672 1.00 34.12 C ATOM 726 CE2 TYR A 43 8.894 4.277 -9.498 1.00 30.53 C ATOM 727 CZ TYR A 43 8.384 4.674 -10.717 1.00 73.32 C ATOM 728 OH TYR A 43 8.195 6.012 -10.980 1.00 13.44 O ATOM 0 H TYR A 43 9.397 -1.986 -9.949 1.00 13.42 H new ATOM 0 HA TYR A 43 10.301 0.320 -11.519 1.00 50.11 H new ATOM 0 HB2 TYR A 43 8.030 -0.039 -10.258 1.00 62.01 H new ATOM 0 HB3 TYR A 43 8.959 0.346 -8.823 1.00 62.01 H new ATOM 0 HD1 TYR A 43 7.966 1.668 -12.157 1.00 72.42 H new ATOM 0 HD2 TYR A 43 9.477 2.620 -8.288 1.00 2.21 H new ATOM 0 HE1 TYR A 43 7.656 4.055 -12.626 1.00 34.12 H new ATOM 0 HE2 TYR A 43 9.151 5.013 -8.750 1.00 30.53 H new ATOM 0 HH TYR A 43 8.477 6.541 -10.204 1.00 13.44 H new ATOM 738 N CYS A 44 12.484 0.497 -10.312 1.00 1.14 N ATOM 739 CA CYS A 44 13.771 0.628 -9.632 1.00 71.14 C ATOM 740 C CYS A 44 13.717 1.708 -8.553 1.00 22.20 C ATOM 741 O CYS A 44 14.316 1.569 -7.485 1.00 75.21 O ATOM 742 CB CYS A 44 14.873 0.946 -10.646 1.00 35.04 C ATOM 743 SG CYS A 44 16.551 0.846 -9.985 1.00 0.03 S ATOM 0 H CYS A 44 12.511 0.722 -11.306 1.00 1.14 H new ATOM 0 HA CYS A 44 13.997 -0.322 -9.147 1.00 71.14 H new ATOM 0 HB2 CYS A 44 14.786 0.257 -11.486 1.00 35.04 H new ATOM 0 HB3 CYS A 44 14.710 1.950 -11.038 1.00 35.04 H new ATOM 0 HG CYS A 44 17.405 1.131 -10.923 1.00 0.03 H new ATOM 749 N GLU A 45 12.996 2.785 -8.839 1.00 34.15 N ATOM 750 CA GLU A 45 12.807 3.858 -7.874 1.00 52.15 C ATOM 751 C GLU A 45 11.670 3.515 -6.918 1.00 33.22 C ATOM 752 O GLU A 45 11.333 2.345 -6.721 1.00 11.14 O ATOM 753 CB GLU A 45 12.496 5.169 -8.595 1.00 13.12 C ATOM 754 CG GLU A 45 13.645 5.700 -9.424 1.00 15.14 C ATOM 755 CD GLU A 45 13.242 6.912 -10.225 1.00 3.41 C ATOM 756 OE1 GLU A 45 12.600 6.739 -11.281 1.00 54.23 O ATOM 757 OE2 GLU A 45 13.555 8.045 -9.803 1.00 52.33 O ATOM 0 H GLU A 45 12.532 2.938 -9.734 1.00 34.15 H new ATOM 0 HA GLU A 45 13.728 3.975 -7.303 1.00 52.15 H new ATOM 0 HB2 GLU A 45 11.632 5.020 -9.243 1.00 13.12 H new ATOM 0 HB3 GLU A 45 12.215 5.921 -7.857 1.00 13.12 H new ATOM 0 HG2 GLU A 45 14.478 5.957 -8.769 1.00 15.14 H new ATOM 0 HG3 GLU A 45 13.999 4.920 -10.098 1.00 15.14 H new ATOM 764 N GLY A 46 11.087 4.535 -6.321 1.00 31.24 N ATOM 765 CA GLY A 46 9.983 4.323 -5.425 1.00 21.52 C ATOM 766 C GLY A 46 9.311 5.615 -5.042 1.00 72.02 C ATOM 767 O GLY A 46 8.966 6.422 -5.903 1.00 25.10 O ATOM 0 H GLY A 46 11.361 5.510 -6.443 1.00 31.24 H new ATOM 0 HA2 GLY A 46 9.256 3.662 -5.896 1.00 21.52 H new ATOM 0 HA3 GLY A 46 10.337 3.818 -4.526 1.00 21.52 H new ATOM 771 N LEU A 47 9.155 5.818 -3.747 1.00 42.31 N ATOM 772 CA LEU A 47 8.427 6.959 -3.226 1.00 60.20 C ATOM 773 C LEU A 47 8.646 7.043 -1.722 1.00 12.12 C ATOM 774 O LEU A 47 8.469 6.050 -1.012 1.00 11.15 O ATOM 775 CB LEU A 47 6.937 6.817 -3.578 1.00 13.51 C ATOM 776 CG LEU A 47 6.018 7.937 -3.091 1.00 13.02 C ATOM 777 CD1 LEU A 47 4.848 8.105 -4.044 1.00 21.45 C ATOM 778 CD2 LEU A 47 5.504 7.633 -1.695 1.00 53.40 C ATOM 0 H LEU A 47 9.529 5.198 -3.028 1.00 42.31 H new ATOM 0 HA LEU A 47 8.790 7.884 -3.675 1.00 60.20 H new ATOM 0 HB2 LEU A 47 6.846 6.747 -4.662 1.00 13.51 H new ATOM 0 HB3 LEU A 47 6.576 5.875 -3.166 1.00 13.51 H new ATOM 0 HG LEU A 47 6.591 8.864 -3.061 1.00 13.02 H new ATOM 0 HD11 LEU A 47 4.200 8.906 -3.687 1.00 21.45 H new ATOM 0 HD12 LEU A 47 5.221 8.355 -5.037 1.00 21.45 H new ATOM 0 HD13 LEU A 47 4.282 7.175 -4.093 1.00 21.45 H new ATOM 0 HD21 LEU A 47 4.851 8.441 -1.364 1.00 53.40 H new ATOM 0 HD22 LEU A 47 4.945 6.697 -1.709 1.00 53.40 H new ATOM 0 HD23 LEU A 47 6.346 7.543 -1.009 1.00 53.40 H new ATOM 790 N GLN A 48 9.062 8.212 -1.245 1.00 3.40 N ATOM 791 CA GLN A 48 9.360 8.398 0.166 1.00 44.34 C ATOM 792 C GLN A 48 8.211 9.107 0.880 1.00 33.35 C ATOM 793 O GLN A 48 7.188 9.410 0.269 1.00 34.11 O ATOM 794 CB GLN A 48 10.659 9.189 0.345 1.00 70.13 C ATOM 795 CG GLN A 48 11.902 8.344 0.132 1.00 54.10 C ATOM 796 CD GLN A 48 12.020 7.847 -1.290 1.00 42.13 C ATOM 797 OE1 GLN A 48 11.706 8.561 -2.246 1.00 73.33 O ATOM 798 NE2 GLN A 48 12.417 6.602 -1.440 1.00 0.14 N ATOM 0 H GLN A 48 9.200 9.044 -1.818 1.00 3.40 H new ATOM 0 HA GLN A 48 9.486 7.412 0.612 1.00 44.34 H new ATOM 0 HB2 GLN A 48 10.669 10.024 -0.356 1.00 70.13 H new ATOM 0 HB3 GLN A 48 10.683 9.615 1.348 1.00 70.13 H new ATOM 0 HG2 GLN A 48 12.785 8.931 0.384 1.00 54.10 H new ATOM 0 HG3 GLN A 48 11.881 7.492 0.812 1.00 54.10 H new ATOM 0 HE21 GLN A 48 12.668 6.045 -0.623 1.00 0.14 H new ATOM 0 HE22 GLN A 48 12.474 6.194 -2.373 1.00 0.14 H new ATOM 807 N PHE A 49 8.395 9.376 2.170 1.00 41.24 N ATOM 808 CA PHE A 49 7.365 10.014 2.996 1.00 72.20 C ATOM 809 C PHE A 49 6.892 11.341 2.399 1.00 74.22 C ATOM 810 O PHE A 49 5.713 11.677 2.464 1.00 1.44 O ATOM 811 CB PHE A 49 7.892 10.245 4.422 1.00 63.44 C ATOM 812 CG PHE A 49 8.985 11.281 4.530 1.00 12.30 C ATOM 813 CD1 PHE A 49 10.304 10.956 4.255 1.00 35.13 C ATOM 814 CD2 PHE A 49 8.689 12.584 4.905 1.00 41.33 C ATOM 815 CE1 PHE A 49 11.305 11.906 4.348 1.00 63.21 C ATOM 816 CE2 PHE A 49 9.685 13.539 5.000 1.00 63.22 C ATOM 817 CZ PHE A 49 10.993 13.199 4.721 1.00 53.55 C ATOM 0 H PHE A 49 9.256 9.161 2.673 1.00 41.24 H new ATOM 0 HA PHE A 49 6.511 9.338 3.026 1.00 72.20 H new ATOM 0 HB2 PHE A 49 7.060 10.547 5.058 1.00 63.44 H new ATOM 0 HB3 PHE A 49 8.266 9.299 4.814 1.00 63.44 H new ATOM 0 HD1 PHE A 49 10.554 9.946 3.964 1.00 35.13 H new ATOM 0 HD2 PHE A 49 7.667 12.856 5.126 1.00 41.33 H new ATOM 0 HE1 PHE A 49 12.328 11.638 4.130 1.00 63.21 H new ATOM 0 HE2 PHE A 49 9.439 14.549 5.292 1.00 63.22 H new ATOM 0 HZ PHE A 49 11.772 13.943 4.794 1.00 53.55 H new ATOM 827 N HIS A 50 7.820 12.083 1.818 1.00 2.40 N ATOM 828 CA HIS A 50 7.519 13.400 1.263 1.00 21.31 C ATOM 829 C HIS A 50 6.714 13.282 -0.027 1.00 74.32 C ATOM 830 O HIS A 50 5.912 14.155 -0.351 1.00 44.42 O ATOM 831 CB HIS A 50 8.817 14.175 1.003 1.00 13.25 C ATOM 832 CG HIS A 50 8.611 15.489 0.310 1.00 70.42 C ATOM 833 ND1 HIS A 50 8.846 15.667 -1.031 1.00 75.03 N ATOM 834 CD2 HIS A 50 8.179 16.685 0.776 1.00 1.30 C ATOM 835 CE1 HIS A 50 8.569 16.911 -1.365 1.00 31.10 C ATOM 836 NE2 HIS A 50 8.159 17.554 -0.288 1.00 23.00 N ATOM 0 H HIS A 50 8.794 11.797 1.716 1.00 2.40 H new ATOM 0 HA HIS A 50 6.918 13.943 1.992 1.00 21.31 H new ATOM 0 HB2 HIS A 50 9.320 14.352 1.954 1.00 13.25 H new ATOM 0 HB3 HIS A 50 9.483 13.558 0.400 1.00 13.25 H new ATOM 0 HD1 HIS A 50 9.183 14.947 -1.670 1.00 75.03 H new ATOM 0 HD2 HIS A 50 7.902 16.913 1.795 1.00 1.30 H new ATOM 0 HE1 HIS A 50 8.662 17.334 -2.354 1.00 31.10 H new ATOM 845 N GLU A 51 6.935 12.199 -0.754 1.00 12.54 N ATOM 846 CA GLU A 51 6.284 11.994 -2.038 1.00 63.44 C ATOM 847 C GLU A 51 4.922 11.336 -1.849 1.00 53.14 C ATOM 848 O GLU A 51 4.117 11.265 -2.781 1.00 33.13 O ATOM 849 CB GLU A 51 7.166 11.141 -2.962 1.00 2.44 C ATOM 850 CG GLU A 51 8.399 11.860 -3.499 1.00 11.45 C ATOM 851 CD GLU A 51 9.319 12.382 -2.412 1.00 53.23 C ATOM 852 OE1 GLU A 51 9.703 11.596 -1.521 1.00 13.35 O ATOM 853 OE2 GLU A 51 9.645 13.591 -2.430 1.00 42.21 O ATOM 0 H GLU A 51 7.563 11.445 -0.475 1.00 12.54 H new ATOM 0 HA GLU A 51 6.136 12.968 -2.505 1.00 63.44 H new ATOM 0 HB2 GLU A 51 7.487 10.252 -2.418 1.00 2.44 H new ATOM 0 HB3 GLU A 51 6.564 10.799 -3.804 1.00 2.44 H new ATOM 0 HG2 GLU A 51 8.958 11.177 -4.139 1.00 11.45 H new ATOM 0 HG3 GLU A 51 8.080 12.694 -4.124 1.00 11.45 H new ATOM 860 N LEU A 52 4.671 10.860 -0.635 1.00 34.24 N ATOM 861 CA LEU A 52 3.402 10.231 -0.303 1.00 33.01 C ATOM 862 C LEU A 52 2.324 11.303 -0.182 1.00 33.21 C ATOM 863 O LEU A 52 2.164 11.932 0.863 1.00 52.43 O ATOM 864 CB LEU A 52 3.529 9.430 1.005 1.00 61.11 C ATOM 865 CG LEU A 52 2.523 8.283 1.205 1.00 33.03 C ATOM 866 CD1 LEU A 52 1.097 8.798 1.307 1.00 51.13 C ATOM 867 CD2 LEU A 52 2.635 7.269 0.077 1.00 3.41 C ATOM 0 H LEU A 52 5.335 10.899 0.138 1.00 34.24 H new ATOM 0 HA LEU A 52 3.122 9.536 -1.095 1.00 33.01 H new ATOM 0 HB2 LEU A 52 4.535 9.014 1.055 1.00 61.11 H new ATOM 0 HB3 LEU A 52 3.428 10.122 1.841 1.00 61.11 H new ATOM 0 HG LEU A 52 2.770 7.794 2.147 1.00 33.03 H new ATOM 0 HD11 LEU A 52 0.416 7.958 1.448 1.00 51.13 H new ATOM 0 HD12 LEU A 52 1.015 9.478 2.155 1.00 51.13 H new ATOM 0 HD13 LEU A 52 0.835 9.328 0.391 1.00 51.13 H new ATOM 0 HD21 LEU A 52 1.915 6.466 0.237 1.00 3.41 H new ATOM 0 HD22 LEU A 52 2.427 7.759 -0.874 1.00 3.41 H new ATOM 0 HD23 LEU A 52 3.643 6.855 0.059 1.00 3.41 H new ATOM 879 N THR A 53 1.602 11.525 -1.266 1.00 70.40 N ATOM 880 CA THR A 53 0.587 12.558 -1.307 1.00 55.21 C ATOM 881 C THR A 53 -0.753 11.983 -1.738 1.00 64.44 C ATOM 882 O THR A 53 -0.811 10.883 -2.290 1.00 55.11 O ATOM 883 CB THR A 53 0.991 13.684 -2.277 1.00 34.02 C ATOM 884 OG1 THR A 53 1.391 13.120 -3.532 1.00 25.23 O ATOM 885 CG2 THR A 53 2.128 14.518 -1.706 1.00 12.34 C ATOM 0 H THR A 53 1.702 10.999 -2.134 1.00 70.40 H new ATOM 0 HA THR A 53 0.494 12.967 -0.301 1.00 55.21 H new ATOM 0 HB THR A 53 0.129 14.335 -2.423 1.00 34.02 H new ATOM 0 HG1 THR A 53 1.646 13.839 -4.147 1.00 25.23 H new ATOM 0 HG21 THR A 53 2.392 15.305 -2.412 1.00 12.34 H new ATOM 0 HG22 THR A 53 1.813 14.967 -0.764 1.00 12.34 H new ATOM 0 HG23 THR A 53 2.995 13.881 -1.532 1.00 12.34 H new ATOM 893 N GLU A 54 -1.822 12.728 -1.482 1.00 24.32 N ATOM 894 CA GLU A 54 -3.156 12.336 -1.917 1.00 24.01 C ATOM 895 C GLU A 54 -3.190 12.173 -3.433 1.00 62.54 C ATOM 896 O GLU A 54 -3.835 11.268 -3.945 1.00 24.40 O ATOM 897 CB GLU A 54 -4.196 13.375 -1.458 1.00 64.51 C ATOM 898 CG GLU A 54 -5.618 13.100 -1.939 1.00 35.13 C ATOM 899 CD GLU A 54 -6.038 13.990 -3.099 1.00 72.22 C ATOM 900 OE1 GLU A 54 -5.185 14.318 -3.943 1.00 25.33 O ATOM 901 OE2 GLU A 54 -7.229 14.364 -3.168 1.00 30.31 O ATOM 0 H GLU A 54 -1.790 13.611 -0.973 1.00 24.32 H new ATOM 0 HA GLU A 54 -3.406 11.378 -1.462 1.00 24.01 H new ATOM 0 HB2 GLU A 54 -4.195 13.415 -0.369 1.00 64.51 H new ATOM 0 HB3 GLU A 54 -3.889 14.359 -1.813 1.00 64.51 H new ATOM 0 HG2 GLU A 54 -5.697 12.056 -2.243 1.00 35.13 H new ATOM 0 HG3 GLU A 54 -6.310 13.244 -1.109 1.00 35.13 H new ATOM 908 N ASP A 55 -2.456 13.037 -4.133 1.00 52.11 N ATOM 909 CA ASP A 55 -2.442 13.040 -5.593 1.00 60.45 C ATOM 910 C ASP A 55 -2.012 11.683 -6.145 1.00 54.52 C ATOM 911 O ASP A 55 -2.616 11.173 -7.087 1.00 63.24 O ATOM 912 CB ASP A 55 -1.514 14.135 -6.117 1.00 34.14 C ATOM 913 CG ASP A 55 -1.565 14.266 -7.627 1.00 21.44 C ATOM 914 OD1 ASP A 55 -2.602 14.725 -8.150 1.00 64.22 O ATOM 915 OD2 ASP A 55 -0.561 13.943 -8.299 1.00 35.14 O ATOM 0 H ASP A 55 -1.860 13.748 -3.708 1.00 52.11 H new ATOM 0 HA ASP A 55 -3.457 13.241 -5.934 1.00 60.45 H new ATOM 0 HB2 ASP A 55 -1.789 15.087 -5.663 1.00 34.14 H new ATOM 0 HB3 ASP A 55 -0.491 13.918 -5.809 1.00 34.14 H new ATOM 920 N PHE A 56 -0.985 11.093 -5.540 1.00 41.03 N ATOM 921 CA PHE A 56 -0.511 9.777 -5.958 1.00 52.40 C ATOM 922 C PHE A 56 -1.605 8.734 -5.762 1.00 53.44 C ATOM 923 O PHE A 56 -1.939 7.990 -6.683 1.00 53.42 O ATOM 924 CB PHE A 56 0.737 9.371 -5.166 1.00 62.42 C ATOM 925 CG PHE A 56 1.274 8.013 -5.540 1.00 3.33 C ATOM 926 CD1 PHE A 56 2.159 7.872 -6.596 1.00 11.22 C ATOM 927 CD2 PHE A 56 0.891 6.877 -4.835 1.00 13.02 C ATOM 928 CE1 PHE A 56 2.654 6.629 -6.945 1.00 52.31 C ATOM 929 CE2 PHE A 56 1.384 5.633 -5.180 1.00 75.41 C ATOM 930 CZ PHE A 56 2.265 5.509 -6.236 1.00 33.03 C ATOM 0 H PHE A 56 -0.467 11.503 -4.763 1.00 41.03 H new ATOM 0 HA PHE A 56 -0.252 9.831 -7.015 1.00 52.40 H new ATOM 0 HB2 PHE A 56 1.516 10.117 -5.324 1.00 62.42 H new ATOM 0 HB3 PHE A 56 0.500 9.378 -4.102 1.00 62.42 H new ATOM 0 HD1 PHE A 56 2.466 8.744 -7.154 1.00 11.22 H new ATOM 0 HD2 PHE A 56 0.201 6.968 -4.009 1.00 13.02 H new ATOM 0 HE1 PHE A 56 3.344 6.534 -7.771 1.00 52.31 H new ATOM 0 HE2 PHE A 56 1.080 4.758 -4.624 1.00 75.41 H new ATOM 0 HZ PHE A 56 2.650 4.537 -6.507 1.00 33.03 H new ATOM 940 N LEU A 57 -2.162 8.701 -4.558 1.00 33.10 N ATOM 941 CA LEU A 57 -3.214 7.755 -4.212 1.00 5.11 C ATOM 942 C LEU A 57 -4.439 7.951 -5.101 1.00 44.22 C ATOM 943 O LEU A 57 -5.006 6.992 -5.621 1.00 25.54 O ATOM 944 CB LEU A 57 -3.602 7.930 -2.739 1.00 14.01 C ATOM 945 CG LEU A 57 -2.685 7.249 -1.714 1.00 71.22 C ATOM 946 CD1 LEU A 57 -2.699 5.739 -1.894 1.00 3.52 C ATOM 947 CD2 LEU A 57 -1.260 7.780 -1.793 1.00 12.44 C ATOM 0 H LEU A 57 -1.898 9.327 -3.797 1.00 33.10 H new ATOM 0 HA LEU A 57 -2.837 6.745 -4.371 1.00 5.11 H new ATOM 0 HB2 LEU A 57 -3.633 8.997 -2.517 1.00 14.01 H new ATOM 0 HB3 LEU A 57 -4.613 7.547 -2.603 1.00 14.01 H new ATOM 0 HG LEU A 57 -3.074 7.486 -0.724 1.00 71.22 H new ATOM 0 HD11 LEU A 57 -2.042 5.279 -1.156 1.00 3.52 H new ATOM 0 HD12 LEU A 57 -3.714 5.366 -1.759 1.00 3.52 H new ATOM 0 HD13 LEU A 57 -2.351 5.489 -2.896 1.00 3.52 H new ATOM 0 HD21 LEU A 57 -0.641 7.274 -1.052 1.00 12.44 H new ATOM 0 HD22 LEU A 57 -0.858 7.595 -2.789 1.00 12.44 H new ATOM 0 HD23 LEU A 57 -1.260 8.852 -1.595 1.00 12.44 H new ATOM 959 N ARG A 58 -4.814 9.205 -5.277 1.00 60.53 N ATOM 960 CA ARG A 58 -5.991 9.579 -6.047 1.00 41.14 C ATOM 961 C ARG A 58 -5.825 9.204 -7.517 1.00 54.03 C ATOM 962 O ARG A 58 -6.691 8.555 -8.104 1.00 3.11 O ATOM 963 CB ARG A 58 -6.219 11.083 -5.898 1.00 24.24 C ATOM 964 CG ARG A 58 -7.524 11.590 -6.473 1.00 74.55 C ATOM 965 CD ARG A 58 -7.719 13.057 -6.138 1.00 13.53 C ATOM 966 NE ARG A 58 -8.993 13.570 -6.630 1.00 21.00 N ATOM 967 CZ ARG A 58 -9.670 14.560 -6.050 1.00 24.32 C ATOM 968 NH1 ARG A 58 -9.243 15.093 -4.908 1.00 54.43 N ATOM 969 NH2 ARG A 58 -10.792 15.006 -6.599 1.00 5.14 N ATOM 0 H ARG A 58 -4.308 10.000 -4.887 1.00 60.53 H new ATOM 0 HA ARG A 58 -6.857 9.037 -5.668 1.00 41.14 H new ATOM 0 HB2 ARG A 58 -6.182 11.338 -4.839 1.00 24.24 H new ATOM 0 HB3 ARG A 58 -5.397 11.610 -6.382 1.00 24.24 H new ATOM 0 HG2 ARG A 58 -7.529 11.454 -7.555 1.00 74.55 H new ATOM 0 HG3 ARG A 58 -8.354 11.007 -6.075 1.00 74.55 H new ATOM 0 HD2 ARG A 58 -7.668 13.191 -5.057 1.00 13.53 H new ATOM 0 HD3 ARG A 58 -6.904 13.638 -6.570 1.00 13.53 H new ATOM 0 HE ARG A 58 -9.389 13.145 -7.468 1.00 21.00 H new ATOM 0 HH11 ARG A 58 -8.391 14.744 -4.469 1.00 54.43 H new ATOM 0 HH12 ARG A 58 -9.768 15.851 -4.471 1.00 54.43 H new ATOM 0 HH21 ARG A 58 -11.136 14.591 -7.465 1.00 5.14 H new ATOM 0 HH22 ARG A 58 -11.311 15.764 -6.155 1.00 5.14 H new ATOM 983 N ASP A 59 -4.699 9.601 -8.097 1.00 12.43 N ATOM 984 CA ASP A 59 -4.411 9.323 -9.501 1.00 32.11 C ATOM 985 C ASP A 59 -4.285 7.825 -9.751 1.00 44.13 C ATOM 986 O ASP A 59 -4.742 7.317 -10.777 1.00 64.21 O ATOM 987 CB ASP A 59 -3.128 10.041 -9.927 1.00 30.13 C ATOM 988 CG ASP A 59 -2.690 9.693 -11.335 1.00 24.21 C ATOM 989 OD1 ASP A 59 -3.341 10.146 -12.301 1.00 3.00 O ATOM 990 OD2 ASP A 59 -1.679 8.976 -11.483 1.00 0.23 O ATOM 0 H ASP A 59 -3.965 10.120 -7.614 1.00 12.43 H new ATOM 0 HA ASP A 59 -5.243 9.695 -10.098 1.00 32.11 H new ATOM 0 HB2 ASP A 59 -3.281 11.118 -9.857 1.00 30.13 H new ATOM 0 HB3 ASP A 59 -2.329 9.787 -9.231 1.00 30.13 H new ATOM 995 N TYR A 60 -3.689 7.118 -8.795 1.00 41.14 N ATOM 996 CA TYR A 60 -3.493 5.678 -8.920 1.00 31.30 C ATOM 997 C TYR A 60 -4.826 4.947 -8.787 1.00 73.20 C ATOM 998 O TYR A 60 -5.069 3.955 -9.471 1.00 53.34 O ATOM 999 CB TYR A 60 -2.496 5.178 -7.870 1.00 71.31 C ATOM 1000 CG TYR A 60 -2.058 3.744 -8.072 1.00 33.51 C ATOM 1001 CD1 TYR A 60 -1.278 3.382 -9.163 1.00 64.33 C ATOM 1002 CD2 TYR A 60 -2.420 2.754 -7.168 1.00 61.23 C ATOM 1003 CE1 TYR A 60 -0.871 2.075 -9.346 1.00 21.04 C ATOM 1004 CE2 TYR A 60 -2.016 1.444 -7.345 1.00 23.53 C ATOM 1005 CZ TYR A 60 -1.243 1.111 -8.436 1.00 73.43 C ATOM 1006 OH TYR A 60 -0.835 -0.192 -8.612 1.00 1.23 O ATOM 0 H TYR A 60 -3.334 7.519 -7.927 1.00 41.14 H new ATOM 0 HA TYR A 60 -3.082 5.469 -9.908 1.00 31.30 H new ATOM 0 HB2 TYR A 60 -1.616 5.821 -7.884 1.00 71.31 H new ATOM 0 HB3 TYR A 60 -2.946 5.274 -6.882 1.00 71.31 H new ATOM 0 HD1 TYR A 60 -0.985 4.135 -9.880 1.00 64.33 H new ATOM 0 HD2 TYR A 60 -3.027 3.012 -6.313 1.00 61.23 H new ATOM 0 HE1 TYR A 60 -0.264 1.810 -10.199 1.00 21.04 H new ATOM 0 HE2 TYR A 60 -2.305 0.686 -6.632 1.00 23.53 H new ATOM 0 HH TYR A 60 0.028 -0.205 -9.077 1.00 1.23 H new ATOM 1016 N LEU A 61 -5.686 5.450 -7.903 1.00 45.32 N ATOM 1017 CA LEU A 61 -7.035 4.913 -7.751 1.00 34.34 C ATOM 1018 C LEU A 61 -7.775 4.973 -9.078 1.00 14.22 C ATOM 1019 O LEU A 61 -8.291 3.964 -9.563 1.00 5.44 O ATOM 1020 CB LEU A 61 -7.818 5.707 -6.699 1.00 31.32 C ATOM 1021 CG LEU A 61 -9.293 5.315 -6.549 1.00 42.50 C ATOM 1022 CD1 LEU A 61 -9.430 3.918 -5.964 1.00 51.55 C ATOM 1023 CD2 LEU A 61 -10.029 6.329 -5.688 1.00 74.14 C ATOM 0 H LEU A 61 -5.471 6.229 -7.281 1.00 45.32 H new ATOM 0 HA LEU A 61 -6.953 3.876 -7.425 1.00 34.34 H new ATOM 0 HB2 LEU A 61 -7.326 5.584 -5.734 1.00 31.32 H new ATOM 0 HB3 LEU A 61 -7.764 6.766 -6.952 1.00 31.32 H new ATOM 0 HG LEU A 61 -9.744 5.310 -7.541 1.00 42.50 H new ATOM 0 HD11 LEU A 61 -10.486 3.666 -5.868 1.00 51.55 H new ATOM 0 HD12 LEU A 61 -8.943 3.199 -6.622 1.00 51.55 H new ATOM 0 HD13 LEU A 61 -8.959 3.887 -4.981 1.00 51.55 H new ATOM 0 HD21 LEU A 61 -11.074 6.035 -5.592 1.00 74.14 H new ATOM 0 HD22 LEU A 61 -9.571 6.368 -4.700 1.00 74.14 H new ATOM 0 HD23 LEU A 61 -9.970 7.313 -6.154 1.00 74.14 H new ATOM 1035 N ILE A 62 -7.804 6.162 -9.666 1.00 21.52 N ATOM 1036 CA ILE A 62 -8.458 6.365 -10.950 1.00 2.12 C ATOM 1037 C ILE A 62 -7.806 5.492 -12.016 1.00 34.22 C ATOM 1038 O ILE A 62 -8.487 4.776 -12.732 1.00 54.23 O ATOM 1039 CB ILE A 62 -8.402 7.844 -11.393 1.00 75.22 C ATOM 1040 CG1 ILE A 62 -9.034 8.748 -10.330 1.00 35.04 C ATOM 1041 CG2 ILE A 62 -9.104 8.029 -12.732 1.00 61.20 C ATOM 1042 CD1 ILE A 62 -8.917 10.227 -10.643 1.00 4.25 C ATOM 0 H ILE A 62 -7.381 7.002 -9.272 1.00 21.52 H new ATOM 0 HA ILE A 62 -9.504 6.084 -10.831 1.00 2.12 H new ATOM 0 HB ILE A 62 -7.356 8.127 -11.510 1.00 75.22 H new ATOM 0 HG12 ILE A 62 -10.088 8.490 -10.225 1.00 35.04 H new ATOM 0 HG13 ILE A 62 -8.560 8.550 -9.369 1.00 35.04 H new ATOM 0 HG21 ILE A 62 -9.054 9.077 -13.027 1.00 61.20 H new ATOM 0 HG22 ILE A 62 -8.614 7.415 -13.488 1.00 61.20 H new ATOM 0 HG23 ILE A 62 -10.147 7.727 -12.641 1.00 61.20 H new ATOM 0 HD11 ILE A 62 -9.386 10.806 -9.847 1.00 4.25 H new ATOM 0 HD12 ILE A 62 -7.865 10.501 -10.719 1.00 4.25 H new ATOM 0 HD13 ILE A 62 -9.416 10.439 -11.589 1.00 4.25 H new ATOM 1054 N TYR A 63 -6.482 5.529 -12.082 1.00 52.23 N ATOM 1055 CA TYR A 63 -5.730 4.755 -13.071 1.00 45.34 C ATOM 1056 C TYR A 63 -6.101 3.274 -13.014 1.00 31.11 C ATOM 1057 O TYR A 63 -6.275 2.621 -14.045 1.00 13.54 O ATOM 1058 CB TYR A 63 -4.228 4.931 -12.828 1.00 73.31 C ATOM 1059 CG TYR A 63 -3.349 4.085 -13.722 1.00 31.14 C ATOM 1060 CD1 TYR A 63 -3.207 4.380 -15.070 1.00 63.44 C ATOM 1061 CD2 TYR A 63 -2.656 2.994 -13.211 1.00 13.10 C ATOM 1062 CE1 TYR A 63 -2.403 3.609 -15.887 1.00 34.34 C ATOM 1063 CE2 TYR A 63 -1.849 2.220 -14.019 1.00 14.41 C ATOM 1064 CZ TYR A 63 -1.724 2.532 -15.355 1.00 31.01 C ATOM 1065 OH TYR A 63 -0.919 1.765 -16.166 1.00 13.52 O ATOM 0 H TYR A 63 -5.900 6.089 -11.460 1.00 52.23 H new ATOM 0 HA TYR A 63 -5.985 5.126 -14.064 1.00 45.34 H new ATOM 0 HB2 TYR A 63 -3.969 5.980 -12.972 1.00 73.31 H new ATOM 0 HB3 TYR A 63 -4.009 4.688 -11.788 1.00 73.31 H new ATOM 0 HD1 TYR A 63 -3.733 5.226 -15.487 1.00 63.44 H new ATOM 0 HD2 TYR A 63 -2.751 2.748 -12.164 1.00 13.10 H new ATOM 0 HE1 TYR A 63 -2.306 3.848 -16.936 1.00 34.34 H new ATOM 0 HE2 TYR A 63 -1.318 1.375 -13.607 1.00 14.41 H new ATOM 0 HH TYR A 63 -0.512 1.047 -15.638 1.00 13.52 H new ATOM 1075 N MET A 64 -6.242 2.760 -11.805 1.00 1.04 N ATOM 1076 CA MET A 64 -6.523 1.349 -11.600 1.00 51.02 C ATOM 1077 C MET A 64 -7.940 0.986 -12.036 1.00 5.33 C ATOM 1078 O MET A 64 -8.165 -0.058 -12.643 1.00 33.10 O ATOM 1079 CB MET A 64 -6.312 0.997 -10.133 1.00 75.22 C ATOM 1080 CG MET A 64 -6.454 -0.482 -9.824 1.00 52.14 C ATOM 1081 SD MET A 64 -5.317 -1.027 -8.535 1.00 41.24 S ATOM 1082 CE MET A 64 -5.571 0.238 -7.294 1.00 62.21 C ATOM 0 H MET A 64 -6.166 3.302 -10.945 1.00 1.04 H new ATOM 0 HA MET A 64 -5.836 0.771 -12.218 1.00 51.02 H new ATOM 0 HB2 MET A 64 -5.318 1.327 -9.831 1.00 75.22 H new ATOM 0 HB3 MET A 64 -7.029 1.554 -9.530 1.00 75.22 H new ATOM 0 HG2 MET A 64 -7.478 -0.689 -9.513 1.00 52.14 H new ATOM 0 HG3 MET A 64 -6.274 -1.059 -10.731 1.00 52.14 H new ATOM 0 HE1 MET A 64 -5.488 -0.204 -6.301 1.00 62.21 H new ATOM 0 HE2 MET A 64 -4.817 1.017 -7.409 1.00 62.21 H new ATOM 0 HE3 MET A 64 -6.563 0.673 -7.415 1.00 62.21 H new ATOM 1092 N LYS A 65 -8.894 1.848 -11.731 1.00 42.41 N ATOM 1093 CA LYS A 65 -10.289 1.584 -12.079 1.00 4.35 C ATOM 1094 C LYS A 65 -10.604 1.994 -13.524 1.00 53.41 C ATOM 1095 O LYS A 65 -11.520 1.456 -14.142 1.00 62.50 O ATOM 1096 CB LYS A 65 -11.231 2.297 -11.103 1.00 53.02 C ATOM 1097 CG LYS A 65 -11.176 3.812 -11.173 1.00 0.40 C ATOM 1098 CD LYS A 65 -12.123 4.447 -10.168 1.00 55.32 C ATOM 1099 CE LYS A 65 -13.569 4.042 -10.423 1.00 72.34 C ATOM 1100 NZ LYS A 65 -14.500 4.677 -9.455 1.00 35.42 N ATOM 0 H LYS A 65 -8.736 2.732 -11.247 1.00 42.41 H new ATOM 0 HA LYS A 65 -10.447 0.508 -12.001 1.00 4.35 H new ATOM 0 HB2 LYS A 65 -12.253 1.973 -11.301 1.00 53.02 H new ATOM 0 HB3 LYS A 65 -10.988 1.983 -10.088 1.00 53.02 H new ATOM 0 HG2 LYS A 65 -10.158 4.150 -10.980 1.00 0.40 H new ATOM 0 HG3 LYS A 65 -11.436 4.141 -12.179 1.00 0.40 H new ATOM 0 HD2 LYS A 65 -11.835 4.151 -9.159 1.00 55.32 H new ATOM 0 HD3 LYS A 65 -12.034 5.532 -10.220 1.00 55.32 H new ATOM 0 HE2 LYS A 65 -13.852 4.324 -11.437 1.00 72.34 H new ATOM 0 HE3 LYS A 65 -13.660 2.958 -10.356 1.00 72.34 H new ATOM 0 HZ1 LYS A 65 -15.474 4.376 -9.662 1.00 35.42 H new ATOM 0 HZ2 LYS A 65 -14.246 4.388 -8.489 1.00 35.42 H new ATOM 0 HZ3 LYS A 65 -14.432 5.712 -9.536 1.00 35.42 H new ATOM 1114 N LYS A 66 -9.832 2.930 -14.056 1.00 20.23 N ATOM 1115 CA LYS A 66 -10.076 3.478 -15.388 1.00 30.43 C ATOM 1116 C LYS A 66 -9.268 2.746 -16.458 1.00 25.41 C ATOM 1117 O LYS A 66 -9.834 2.090 -17.332 1.00 33.11 O ATOM 1118 CB LYS A 66 -9.721 4.967 -15.387 1.00 35.45 C ATOM 1119 CG LYS A 66 -9.830 5.661 -16.734 1.00 65.02 C ATOM 1120 CD LYS A 66 -9.358 7.103 -16.627 1.00 34.34 C ATOM 1121 CE LYS A 66 -9.438 7.828 -17.956 1.00 74.35 C ATOM 1122 NZ LYS A 66 -8.992 9.241 -17.835 1.00 43.53 N ATOM 0 H LYS A 66 -9.023 3.331 -13.582 1.00 20.23 H new ATOM 0 HA LYS A 66 -11.130 3.343 -15.629 1.00 30.43 H new ATOM 0 HB2 LYS A 66 -10.373 5.479 -14.679 1.00 35.45 H new ATOM 0 HB3 LYS A 66 -8.701 5.080 -15.020 1.00 35.45 H new ATOM 0 HG2 LYS A 66 -9.231 5.130 -17.474 1.00 65.02 H new ATOM 0 HG3 LYS A 66 -10.863 5.634 -17.081 1.00 65.02 H new ATOM 0 HD2 LYS A 66 -9.965 7.629 -15.890 1.00 34.34 H new ATOM 0 HD3 LYS A 66 -8.330 7.122 -16.265 1.00 34.34 H new ATOM 0 HE2 LYS A 66 -8.820 7.312 -18.691 1.00 74.35 H new ATOM 0 HE3 LYS A 66 -10.463 7.800 -18.326 1.00 74.35 H new ATOM 0 HZ1 LYS A 66 -9.060 9.707 -18.762 1.00 43.53 H new ATOM 0 HZ2 LYS A 66 -9.598 9.739 -17.152 1.00 43.53 H new ATOM 0 HZ3 LYS A 66 -8.006 9.267 -17.506 1.00 43.53 H new ATOM 1136 N THR A 67 -7.948 2.840 -16.370 1.00 50.40 N ATOM 1137 CA THR A 67 -7.072 2.284 -17.390 1.00 4.55 C ATOM 1138 C THR A 67 -6.914 0.774 -17.214 1.00 71.42 C ATOM 1139 O THR A 67 -6.881 0.022 -18.190 1.00 60.13 O ATOM 1140 CB THR A 67 -5.691 2.961 -17.336 1.00 71.41 C ATOM 1141 OG1 THR A 67 -5.857 4.370 -17.109 1.00 41.42 O ATOM 1142 CG2 THR A 67 -4.923 2.735 -18.630 1.00 2.51 C ATOM 0 H THR A 67 -7.460 3.298 -15.600 1.00 50.40 H new ATOM 0 HA THR A 67 -7.527 2.473 -18.362 1.00 4.55 H new ATOM 0 HB THR A 67 -5.120 2.520 -16.519 1.00 71.41 H new ATOM 0 HG1 THR A 67 -5.214 4.670 -16.433 1.00 41.42 H new ATOM 0 HG21 THR A 67 -3.951 3.223 -18.566 1.00 2.51 H new ATOM 0 HG22 THR A 67 -4.782 1.666 -18.788 1.00 2.51 H new ATOM 0 HG23 THR A 67 -5.485 3.154 -19.465 1.00 2.51 H new ATOM 1150 N LEU A 68 -6.820 0.335 -15.967 1.00 73.33 N ATOM 1151 CA LEU A 68 -6.690 -1.087 -15.670 1.00 74.51 C ATOM 1152 C LEU A 68 -8.064 -1.734 -15.525 1.00 51.33 C ATOM 1153 O LEU A 68 -8.186 -2.958 -15.531 1.00 13.01 O ATOM 1154 CB LEU A 68 -5.877 -1.296 -14.390 1.00 20.11 C ATOM 1155 CG LEU A 68 -4.462 -0.712 -14.408 1.00 31.50 C ATOM 1156 CD1 LEU A 68 -3.785 -0.924 -13.061 1.00 51.11 C ATOM 1157 CD2 LEU A 68 -3.636 -1.340 -15.524 1.00 62.54 C ATOM 0 H LEU A 68 -6.831 0.940 -15.146 1.00 73.33 H new ATOM 0 HA LEU A 68 -6.166 -1.560 -16.501 1.00 74.51 H new ATOM 0 HB2 LEU A 68 -6.423 -0.854 -13.557 1.00 20.11 H new ATOM 0 HB3 LEU A 68 -5.808 -2.366 -14.194 1.00 20.11 H new ATOM 0 HG LEU A 68 -4.534 0.359 -14.597 1.00 31.50 H new ATOM 0 HD11 LEU A 68 -2.780 -0.504 -13.089 1.00 51.11 H new ATOM 0 HD12 LEU A 68 -4.364 -0.429 -12.281 1.00 51.11 H new ATOM 0 HD13 LEU A 68 -3.726 -1.991 -12.847 1.00 51.11 H new ATOM 0 HD21 LEU A 68 -2.634 -0.912 -15.520 1.00 62.54 H new ATOM 0 HD22 LEU A 68 -3.571 -2.417 -15.367 1.00 62.54 H new ATOM 0 HD23 LEU A 68 -4.112 -1.142 -16.484 1.00 62.54 H new ATOM 1169 N CYS A 69 -9.088 -0.893 -15.394 1.00 11.32 N ATOM 1170 CA CYS A 69 -10.472 -1.339 -15.239 1.00 24.43 C ATOM 1171 C CYS A 69 -10.622 -2.317 -14.073 1.00 72.23 C ATOM 1172 O CYS A 69 -10.705 -3.532 -14.264 1.00 52.54 O ATOM 1173 CB CYS A 69 -10.994 -1.973 -16.534 1.00 1.24 C ATOM 1174 SG CYS A 69 -12.728 -2.481 -16.467 1.00 70.52 S ATOM 0 H CYS A 69 -8.981 0.121 -15.392 1.00 11.32 H new ATOM 0 HA CYS A 69 -11.072 -0.456 -15.017 1.00 24.43 H new ATOM 0 HB2 CYS A 69 -10.867 -1.261 -17.350 1.00 1.24 H new ATOM 0 HB3 CYS A 69 -10.382 -2.843 -16.772 1.00 1.24 H new ATOM 0 HG CYS A 69 -13.072 -3.002 -17.607 1.00 70.52 H new ATOM 1180 N ASN A 70 -10.619 -1.785 -12.861 1.00 42.53 N ATOM 1181 CA ASN A 70 -10.833 -2.595 -11.666 1.00 1.12 C ATOM 1182 C ASN A 70 -12.050 -2.088 -10.905 1.00 23.02 C ATOM 1183 O ASN A 70 -12.498 -0.959 -11.117 1.00 63.03 O ATOM 1184 CB ASN A 70 -9.606 -2.576 -10.740 1.00 33.14 C ATOM 1185 CG ASN A 70 -8.485 -3.508 -11.181 1.00 72.03 C ATOM 1186 OD1 ASN A 70 -8.289 -3.653 -12.481 1.00 14.23 O flip ATOM 1187 ND2 ASN A 70 -7.788 -4.087 -10.350 1.00 24.44 N flip ATOM 0 H ASN A 70 -10.470 -0.793 -12.676 1.00 42.53 H new ATOM 0 HA ASN A 70 -10.999 -3.623 -11.989 1.00 1.12 H new ATOM 0 HB2 ASN A 70 -9.219 -1.558 -10.687 1.00 33.14 H new ATOM 0 HB3 ASN A 70 -9.919 -2.851 -9.733 1.00 33.14 H new ATOM 0 HD21 ASN A 70 -7.965 -3.954 -9.354 1.00 24.44 H new ATOM 0 HD22 ASN A 70 -7.033 -4.700 -10.656 1.00 24.44 H new ATOM 1194 N ALA A 71 -12.581 -2.923 -10.024 1.00 33.24 N ATOM 1195 CA ALA A 71 -13.715 -2.537 -9.200 1.00 22.43 C ATOM 1196 C ALA A 71 -13.250 -1.703 -8.012 1.00 55.42 C ATOM 1197 O ALA A 71 -12.062 -1.699 -7.674 1.00 64.31 O ATOM 1198 CB ALA A 71 -14.476 -3.768 -8.725 1.00 4.55 C ATOM 0 H ALA A 71 -12.244 -3.872 -9.862 1.00 33.24 H new ATOM 0 HA ALA A 71 -14.389 -1.930 -9.804 1.00 22.43 H new ATOM 0 HB1 ALA A 71 -15.321 -3.459 -8.110 1.00 4.55 H new ATOM 0 HB2 ALA A 71 -14.840 -4.326 -9.588 1.00 4.55 H new ATOM 0 HB3 ALA A 71 -13.812 -4.402 -8.137 1.00 4.55 H new ATOM 1204 N ASP A 72 -14.184 -1.001 -7.387 1.00 2.21 N ATOM 1205 CA ASP A 72 -13.875 -0.147 -6.240 1.00 51.13 C ATOM 1206 C ASP A 72 -13.255 -0.959 -5.110 1.00 61.30 C ATOM 1207 O ASP A 72 -12.220 -0.586 -4.557 1.00 20.41 O ATOM 1208 CB ASP A 72 -15.147 0.556 -5.752 1.00 51.54 C ATOM 1209 CG ASP A 72 -14.913 1.439 -4.542 1.00 0.21 C ATOM 1210 OD1 ASP A 72 -14.617 2.641 -4.726 1.00 1.43 O ATOM 1211 OD2 ASP A 72 -15.054 0.944 -3.404 1.00 62.13 O ATOM 0 H ASP A 72 -15.169 -1.004 -7.654 1.00 2.21 H new ATOM 0 HA ASP A 72 -13.151 0.605 -6.555 1.00 51.13 H new ATOM 0 HB2 ASP A 72 -15.554 1.161 -6.562 1.00 51.54 H new ATOM 0 HB3 ASP A 72 -15.898 -0.195 -5.506 1.00 51.54 H new ATOM 1216 N SER A 73 -13.875 -2.091 -4.801 1.00 63.55 N ATOM 1217 CA SER A 73 -13.407 -2.958 -3.727 1.00 23.40 C ATOM 1218 C SER A 73 -12.051 -3.583 -4.061 1.00 1.23 C ATOM 1219 O SER A 73 -11.331 -4.029 -3.170 1.00 62.20 O ATOM 1220 CB SER A 73 -14.443 -4.050 -3.460 1.00 43.43 C ATOM 1221 OG SER A 73 -15.722 -3.479 -3.221 1.00 33.41 O ATOM 0 H SER A 73 -14.708 -2.431 -5.282 1.00 63.55 H new ATOM 0 HA SER A 73 -13.278 -2.352 -2.830 1.00 23.40 H new ATOM 0 HB2 SER A 73 -14.494 -4.726 -4.313 1.00 43.43 H new ATOM 0 HB3 SER A 73 -14.138 -4.645 -2.599 1.00 43.43 H new ATOM 0 HG SER A 73 -16.373 -4.192 -3.054 1.00 33.41 H new ATOM 1227 N THR A 74 -11.710 -3.610 -5.342 1.00 10.22 N ATOM 1228 CA THR A 74 -10.431 -4.146 -5.776 1.00 51.32 C ATOM 1229 C THR A 74 -9.342 -3.081 -5.652 1.00 72.00 C ATOM 1230 O THR A 74 -8.270 -3.326 -5.095 1.00 63.42 O ATOM 1231 CB THR A 74 -10.503 -4.632 -7.237 1.00 24.51 C ATOM 1232 OG1 THR A 74 -11.739 -5.326 -7.459 1.00 42.24 O ATOM 1233 CG2 THR A 74 -9.336 -5.551 -7.560 1.00 31.13 C ATOM 0 H THR A 74 -12.303 -3.266 -6.098 1.00 10.22 H new ATOM 0 HA THR A 74 -10.189 -4.993 -5.135 1.00 51.32 H new ATOM 0 HB THR A 74 -10.450 -3.762 -7.891 1.00 24.51 H new ATOM 0 HG1 THR A 74 -11.780 -5.631 -8.389 1.00 42.24 H new ATOM 0 HG21 THR A 74 -9.409 -5.881 -8.596 1.00 31.13 H new ATOM 0 HG22 THR A 74 -8.399 -5.014 -7.415 1.00 31.13 H new ATOM 0 HG23 THR A 74 -9.363 -6.418 -6.900 1.00 31.13 H new ATOM 1241 N ALA A 75 -9.641 -1.890 -6.158 1.00 34.32 N ATOM 1242 CA ALA A 75 -8.689 -0.788 -6.149 1.00 44.20 C ATOM 1243 C ALA A 75 -8.343 -0.373 -4.724 1.00 53.54 C ATOM 1244 O ALA A 75 -7.169 -0.211 -4.382 1.00 52.14 O ATOM 1245 CB ALA A 75 -9.246 0.396 -6.926 1.00 20.45 C ATOM 0 H ALA A 75 -10.541 -1.663 -6.582 1.00 34.32 H new ATOM 0 HA ALA A 75 -7.773 -1.127 -6.632 1.00 44.20 H new ATOM 0 HB1 ALA A 75 -8.524 1.213 -6.911 1.00 20.45 H new ATOM 0 HB2 ALA A 75 -9.436 0.098 -7.957 1.00 20.45 H new ATOM 0 HB3 ALA A 75 -10.178 0.727 -6.467 1.00 20.45 H new ATOM 1251 N GLN A 76 -9.371 -0.221 -3.898 1.00 43.24 N ATOM 1252 CA GLN A 76 -9.202 0.140 -2.503 1.00 54.21 C ATOM 1253 C GLN A 76 -8.366 -0.898 -1.767 1.00 62.51 C ATOM 1254 O GLN A 76 -7.560 -0.556 -0.905 1.00 14.12 O ATOM 1255 CB GLN A 76 -10.578 0.278 -1.858 1.00 24.24 C ATOM 1256 CG GLN A 76 -11.311 1.548 -2.255 1.00 20.03 C ATOM 1257 CD GLN A 76 -10.753 2.775 -1.563 1.00 33.43 C ATOM 1258 OE1 GLN A 76 -9.845 3.431 -2.067 1.00 54.14 O ATOM 1259 NE2 GLN A 76 -11.294 3.084 -0.394 1.00 72.45 N ATOM 0 H GLN A 76 -10.343 -0.345 -4.180 1.00 43.24 H new ATOM 0 HA GLN A 76 -8.671 1.090 -2.440 1.00 54.21 H new ATOM 0 HB2 GLN A 76 -11.187 -0.584 -2.132 1.00 24.24 H new ATOM 0 HB3 GLN A 76 -10.466 0.257 -0.774 1.00 24.24 H new ATOM 0 HG2 GLN A 76 -11.244 1.681 -3.335 1.00 20.03 H new ATOM 0 HG3 GLN A 76 -12.368 1.446 -2.011 1.00 20.03 H new ATOM 0 HE21 GLN A 76 -12.047 2.511 -0.013 1.00 72.45 H new ATOM 0 HE22 GLN A 76 -10.958 3.895 0.125 1.00 72.45 H new ATOM 1268 N ARG A 77 -8.544 -2.159 -2.132 1.00 50.01 N ATOM 1269 CA ARG A 77 -7.819 -3.254 -1.501 1.00 0.22 C ATOM 1270 C ARG A 77 -6.330 -3.166 -1.824 1.00 24.31 C ATOM 1271 O ARG A 77 -5.477 -3.376 -0.959 1.00 40.02 O ATOM 1272 CB ARG A 77 -8.379 -4.586 -1.988 1.00 55.40 C ATOM 1273 CG ARG A 77 -7.974 -5.779 -1.143 1.00 30.35 C ATOM 1274 CD ARG A 77 -8.475 -7.070 -1.762 1.00 61.24 C ATOM 1275 NE ARG A 77 -8.431 -8.194 -0.835 1.00 61.42 N ATOM 1276 CZ ARG A 77 -8.926 -9.395 -1.121 1.00 3.23 C ATOM 1277 NH1 ARG A 77 -9.437 -9.631 -2.323 1.00 4.13 N ATOM 1278 NH2 ARG A 77 -8.921 -10.355 -0.207 1.00 75.51 N ATOM 0 H ARG A 77 -9.188 -2.451 -2.867 1.00 50.01 H new ATOM 0 HA ARG A 77 -7.943 -3.182 -0.420 1.00 0.22 H new ATOM 0 HB2 ARG A 77 -9.467 -4.523 -2.010 1.00 55.40 H new ATOM 0 HB3 ARG A 77 -8.049 -4.753 -3.013 1.00 55.40 H new ATOM 0 HG2 ARG A 77 -6.889 -5.812 -1.049 1.00 30.35 H new ATOM 0 HG3 ARG A 77 -8.378 -5.672 -0.136 1.00 30.35 H new ATOM 0 HD2 ARG A 77 -9.499 -6.929 -2.107 1.00 61.24 H new ATOM 0 HD3 ARG A 77 -7.873 -7.305 -2.640 1.00 61.24 H new ATOM 0 HE ARG A 77 -7.999 -8.053 0.078 1.00 61.42 H new ATOM 0 HH11 ARG A 77 -9.450 -8.892 -3.026 1.00 4.13 H new ATOM 0 HH12 ARG A 77 -9.817 -10.551 -2.544 1.00 4.13 H new ATOM 0 HH21 ARG A 77 -8.536 -10.174 0.720 1.00 75.51 H new ATOM 0 HH22 ARG A 77 -9.302 -11.274 -0.431 1.00 75.51 H new ATOM 1292 N ASN A 78 -6.028 -2.839 -3.076 1.00 34.41 N ATOM 1293 CA ASN A 78 -4.657 -2.727 -3.530 1.00 23.22 C ATOM 1294 C ASN A 78 -3.994 -1.503 -2.906 1.00 60.40 C ATOM 1295 O ASN A 78 -2.821 -1.533 -2.535 1.00 21.15 O ATOM 1296 CB ASN A 78 -4.637 -2.640 -5.056 1.00 10.40 C ATOM 1297 CG ASN A 78 -3.239 -2.692 -5.628 1.00 64.21 C ATOM 1298 OD1 ASN A 78 -2.695 -3.769 -5.887 1.00 24.45 O ATOM 1299 ND2 ASN A 78 -2.654 -1.532 -5.847 1.00 43.21 N ATOM 0 H ASN A 78 -6.725 -2.646 -3.796 1.00 34.41 H new ATOM 0 HA ASN A 78 -4.095 -3.608 -3.219 1.00 23.22 H new ATOM 0 HB2 ASN A 78 -5.224 -3.460 -5.470 1.00 10.40 H new ATOM 0 HB3 ASN A 78 -5.118 -1.713 -5.369 1.00 10.40 H new ATOM 0 HD21 ASN A 78 -1.716 -1.501 -6.245 1.00 43.21 H new ATOM 0 HD22 ASN A 78 -3.140 -0.665 -5.618 1.00 43.21 H new ATOM 1306 N LEU A 79 -4.766 -0.433 -2.774 1.00 31.34 N ATOM 1307 CA LEU A 79 -4.286 0.784 -2.130 1.00 44.02 C ATOM 1308 C LEU A 79 -3.990 0.543 -0.653 1.00 23.13 C ATOM 1309 O LEU A 79 -3.061 1.128 -0.097 1.00 1.11 O ATOM 1310 CB LEU A 79 -5.301 1.918 -2.281 1.00 52.45 C ATOM 1311 CG LEU A 79 -5.396 2.525 -3.681 1.00 55.54 C ATOM 1312 CD1 LEU A 79 -6.495 3.575 -3.732 1.00 51.34 C ATOM 1313 CD2 LEU A 79 -4.063 3.133 -4.086 1.00 11.22 C ATOM 0 H LEU A 79 -5.730 -0.382 -3.105 1.00 31.34 H new ATOM 0 HA LEU A 79 -3.360 1.075 -2.626 1.00 44.02 H new ATOM 0 HB2 LEU A 79 -6.285 1.544 -1.997 1.00 52.45 H new ATOM 0 HB3 LEU A 79 -5.045 2.709 -1.576 1.00 52.45 H new ATOM 0 HG LEU A 79 -5.644 1.731 -4.386 1.00 55.54 H new ATOM 0 HD11 LEU A 79 -6.549 3.997 -4.736 1.00 51.34 H new ATOM 0 HD12 LEU A 79 -7.450 3.114 -3.480 1.00 51.34 H new ATOM 0 HD13 LEU A 79 -6.275 4.367 -3.017 1.00 51.34 H new ATOM 0 HD21 LEU A 79 -4.147 3.561 -5.085 1.00 11.22 H new ATOM 0 HD22 LEU A 79 -3.790 3.915 -3.378 1.00 11.22 H new ATOM 0 HD23 LEU A 79 -3.295 2.359 -4.086 1.00 11.22 H new ATOM 1325 N SER A 80 -4.779 -0.327 -0.026 1.00 74.24 N ATOM 1326 CA SER A 80 -4.574 -0.687 1.375 1.00 73.10 C ATOM 1327 C SER A 80 -3.194 -1.310 1.607 1.00 24.23 C ATOM 1328 O SER A 80 -2.681 -1.294 2.724 1.00 43.43 O ATOM 1329 CB SER A 80 -5.672 -1.642 1.846 1.00 75.01 C ATOM 1330 OG SER A 80 -6.951 -1.029 1.767 1.00 53.21 O ATOM 0 H SER A 80 -5.569 -0.797 -0.468 1.00 74.24 H new ATOM 0 HA SER A 80 -4.624 0.232 1.960 1.00 73.10 H new ATOM 0 HB2 SER A 80 -5.660 -2.545 1.235 1.00 75.01 H new ATOM 0 HB3 SER A 80 -5.475 -1.949 2.873 1.00 75.01 H new ATOM 0 HG SER A 80 -7.167 -0.842 0.830 1.00 53.21 H new ATOM 1336 N THR A 81 -2.586 -1.841 0.551 1.00 32.35 N ATOM 1337 CA THR A 81 -1.254 -2.422 0.656 1.00 72.45 C ATOM 1338 C THR A 81 -0.201 -1.323 0.807 1.00 33.24 C ATOM 1339 O THR A 81 0.700 -1.422 1.641 1.00 4.43 O ATOM 1340 CB THR A 81 -0.941 -3.304 -0.568 1.00 20.22 C ATOM 1341 OG1 THR A 81 -2.012 -4.238 -0.770 1.00 2.35 O ATOM 1342 CG2 THR A 81 0.369 -4.064 -0.386 1.00 13.41 C ATOM 0 H THR A 81 -2.993 -1.881 -0.383 1.00 32.35 H new ATOM 0 HA THR A 81 -1.228 -3.053 1.545 1.00 72.45 H new ATOM 0 HB THR A 81 -0.839 -2.655 -1.438 1.00 20.22 H new ATOM 0 HG1 THR A 81 -1.815 -4.798 -1.549 1.00 2.35 H new ATOM 0 HG21 THR A 81 0.560 -4.676 -1.267 1.00 13.41 H new ATOM 0 HG22 THR A 81 1.186 -3.355 -0.253 1.00 13.41 H new ATOM 0 HG23 THR A 81 0.299 -4.705 0.493 1.00 13.41 H new ATOM 1350 N ILE A 82 -0.335 -0.261 0.020 1.00 65.50 N ATOM 1351 CA ILE A 82 0.540 0.898 0.153 1.00 20.54 C ATOM 1352 C ILE A 82 0.203 1.639 1.447 1.00 21.04 C ATOM 1353 O ILE A 82 1.071 2.215 2.102 1.00 4.53 O ATOM 1354 CB ILE A 82 0.401 1.857 -1.050 1.00 25.33 C ATOM 1355 CG1 ILE A 82 0.688 1.113 -2.357 1.00 21.44 C ATOM 1356 CG2 ILE A 82 1.340 3.050 -0.902 1.00 21.11 C ATOM 1357 CD1 ILE A 82 0.469 1.952 -3.597 1.00 54.22 C ATOM 0 H ILE A 82 -1.038 -0.179 -0.714 1.00 65.50 H new ATOM 0 HA ILE A 82 1.571 0.546 0.180 1.00 20.54 H new ATOM 0 HB ILE A 82 -0.623 2.229 -1.075 1.00 25.33 H new ATOM 0 HG12 ILE A 82 1.720 0.761 -2.345 1.00 21.44 H new ATOM 0 HG13 ILE A 82 0.051 0.230 -2.409 1.00 21.44 H new ATOM 0 HG21 ILE A 82 1.225 3.712 -1.760 1.00 21.11 H new ATOM 0 HG22 ILE A 82 1.096 3.594 0.011 1.00 21.11 H new ATOM 0 HG23 ILE A 82 2.370 2.698 -0.851 1.00 21.11 H new ATOM 0 HD11 ILE A 82 0.692 1.357 -4.483 1.00 54.22 H new ATOM 0 HD12 ILE A 82 -0.569 2.283 -3.634 1.00 54.22 H new ATOM 0 HD13 ILE A 82 1.126 2.821 -3.569 1.00 54.22 H new ATOM 1369 N LYS A 83 -1.077 1.597 1.802 1.00 64.43 N ATOM 1370 CA LYS A 83 -1.578 2.153 3.054 1.00 44.31 C ATOM 1371 C LYS A 83 -0.802 1.634 4.258 1.00 54.43 C ATOM 1372 O LYS A 83 -0.544 2.389 5.185 1.00 73.54 O ATOM 1373 CB LYS A 83 -3.058 1.812 3.206 1.00 43.30 C ATOM 1374 CG LYS A 83 -3.623 2.082 4.589 1.00 2.32 C ATOM 1375 CD LYS A 83 -5.034 1.549 4.699 1.00 22.43 C ATOM 1376 CE LYS A 83 -5.593 1.692 6.102 1.00 73.41 C ATOM 1377 NZ LYS A 83 -6.938 1.073 6.212 1.00 75.21 N ATOM 0 H LYS A 83 -1.802 1.172 1.224 1.00 64.43 H new ATOM 0 HA LYS A 83 -1.444 3.234 3.018 1.00 44.31 H new ATOM 0 HB2 LYS A 83 -3.628 2.386 2.475 1.00 43.30 H new ATOM 0 HB3 LYS A 83 -3.202 0.758 2.967 1.00 43.30 H new ATOM 0 HG2 LYS A 83 -2.991 1.614 5.344 1.00 2.32 H new ATOM 0 HG3 LYS A 83 -3.616 3.154 4.788 1.00 2.32 H new ATOM 0 HD2 LYS A 83 -5.677 2.081 3.998 1.00 22.43 H new ATOM 0 HD3 LYS A 83 -5.047 0.498 4.410 1.00 22.43 H new ATOM 0 HE2 LYS A 83 -4.915 1.223 6.815 1.00 73.41 H new ATOM 0 HE3 LYS A 83 -5.653 2.748 6.366 1.00 73.41 H new ATOM 0 HZ1 LYS A 83 -7.294 1.187 7.182 1.00 75.21 H new ATOM 0 HZ2 LYS A 83 -7.589 1.538 5.548 1.00 75.21 H new ATOM 0 HZ3 LYS A 83 -6.874 0.061 5.983 1.00 75.21 H new ATOM 1391 N ILE A 84 -0.434 0.357 4.248 1.00 1.44 N ATOM 1392 CA ILE A 84 0.339 -0.215 5.351 1.00 21.30 C ATOM 1393 C ILE A 84 1.648 0.553 5.541 1.00 41.31 C ATOM 1394 O ILE A 84 2.081 0.793 6.667 1.00 72.33 O ATOM 1395 CB ILE A 84 0.647 -1.712 5.110 1.00 24.10 C ATOM 1396 CG1 ILE A 84 -0.652 -2.510 4.944 1.00 73.20 C ATOM 1397 CG2 ILE A 84 1.482 -2.287 6.248 1.00 31.21 C ATOM 1398 CD1 ILE A 84 -1.570 -2.446 6.148 1.00 13.31 C ATOM 0 H ILE A 84 -0.654 -0.298 3.498 1.00 1.44 H new ATOM 0 HA ILE A 84 -0.266 -0.129 6.253 1.00 21.30 H new ATOM 0 HB ILE A 84 1.225 -1.793 4.189 1.00 24.10 H new ATOM 0 HG12 ILE A 84 -1.187 -2.137 4.071 1.00 73.20 H new ATOM 0 HG13 ILE A 84 -0.404 -3.552 4.744 1.00 73.20 H new ATOM 0 HG21 ILE A 84 1.685 -3.340 6.054 1.00 31.21 H new ATOM 0 HG22 ILE A 84 2.424 -1.743 6.319 1.00 31.21 H new ATOM 0 HG23 ILE A 84 0.935 -2.189 7.186 1.00 31.21 H new ATOM 0 HD11 ILE A 84 -2.467 -3.035 5.954 1.00 13.31 H new ATOM 0 HD12 ILE A 84 -1.054 -2.847 7.020 1.00 13.31 H new ATOM 0 HD13 ILE A 84 -1.850 -1.410 6.337 1.00 13.31 H new ATOM 1410 N TYR A 85 2.250 0.961 4.431 1.00 63.03 N ATOM 1411 CA TYR A 85 3.477 1.752 4.465 1.00 43.20 C ATOM 1412 C TYR A 85 3.187 3.139 5.028 1.00 32.12 C ATOM 1413 O TYR A 85 3.858 3.610 5.948 1.00 44.42 O ATOM 1414 CB TYR A 85 4.065 1.863 3.054 1.00 0.31 C ATOM 1415 CG TYR A 85 5.237 2.817 2.928 1.00 74.41 C ATOM 1416 CD1 TYR A 85 6.512 2.440 3.322 1.00 32.21 C ATOM 1417 CD2 TYR A 85 5.069 4.093 2.400 1.00 24.14 C ATOM 1418 CE1 TYR A 85 7.586 3.302 3.198 1.00 54.10 C ATOM 1419 CE2 TYR A 85 6.139 4.963 2.273 1.00 13.21 C ATOM 1420 CZ TYR A 85 7.396 4.560 2.674 1.00 21.30 C ATOM 1421 OH TYR A 85 8.469 5.414 2.547 1.00 34.34 O ATOM 0 H TYR A 85 1.908 0.757 3.492 1.00 63.03 H new ATOM 0 HA TYR A 85 4.203 1.258 5.110 1.00 43.20 H new ATOM 0 HB2 TYR A 85 4.384 0.873 2.729 1.00 0.31 H new ATOM 0 HB3 TYR A 85 3.278 2.184 2.372 1.00 0.31 H new ATOM 0 HD1 TYR A 85 6.669 1.454 3.734 1.00 32.21 H new ATOM 0 HD2 TYR A 85 4.087 4.411 2.083 1.00 24.14 H new ATOM 0 HE1 TYR A 85 8.571 2.989 3.511 1.00 54.10 H new ATOM 0 HE2 TYR A 85 5.990 5.951 1.863 1.00 13.21 H new ATOM 0 HH TYR A 85 8.168 6.262 2.159 1.00 34.34 H new ATOM 1431 N VAL A 86 2.169 3.769 4.464 1.00 75.42 N ATOM 1432 CA VAL A 86 1.740 5.098 4.875 1.00 4.30 C ATOM 1433 C VAL A 86 1.356 5.118 6.353 1.00 12.01 C ATOM 1434 O VAL A 86 1.896 5.887 7.147 1.00 32.43 O ATOM 1435 CB VAL A 86 0.520 5.540 4.045 1.00 13.34 C ATOM 1436 CG1 VAL A 86 0.098 6.953 4.410 1.00 40.40 C ATOM 1437 CG2 VAL A 86 0.807 5.429 2.554 1.00 3.21 C ATOM 0 H VAL A 86 1.614 3.372 3.705 1.00 75.42 H new ATOM 0 HA VAL A 86 2.574 5.781 4.712 1.00 4.30 H new ATOM 0 HB VAL A 86 -0.306 4.869 4.280 1.00 13.34 H new ATOM 0 HG11 VAL A 86 -0.765 7.241 3.810 1.00 40.40 H new ATOM 0 HG12 VAL A 86 -0.165 6.993 5.467 1.00 40.40 H new ATOM 0 HG13 VAL A 86 0.921 7.640 4.215 1.00 40.40 H new ATOM 0 HG21 VAL A 86 -0.070 5.747 1.990 1.00 3.21 H new ATOM 0 HG22 VAL A 86 1.654 6.066 2.298 1.00 3.21 H new ATOM 0 HG23 VAL A 86 1.043 4.394 2.305 1.00 3.21 H new ATOM 1447 N SER A 87 0.433 4.240 6.703 1.00 20.25 N ATOM 1448 CA SER A 87 -0.128 4.176 8.037 1.00 24.55 C ATOM 1449 C SER A 87 0.933 3.863 9.094 1.00 53.23 C ATOM 1450 O SER A 87 0.873 4.392 10.204 1.00 34.24 O ATOM 1451 CB SER A 87 -1.262 3.145 8.051 1.00 32.40 C ATOM 1452 OG SER A 87 -2.509 3.761 7.769 1.00 13.24 O ATOM 0 H SER A 87 0.049 3.546 6.062 1.00 20.25 H new ATOM 0 HA SER A 87 -0.529 5.156 8.297 1.00 24.55 H new ATOM 0 HB2 SER A 87 -1.061 2.367 7.314 1.00 32.40 H new ATOM 0 HB3 SER A 87 -1.304 2.658 9.025 1.00 32.40 H new ATOM 0 HG SER A 87 -3.218 3.085 7.781 1.00 13.24 H new ATOM 1458 N ALA A 88 1.914 3.036 8.749 1.00 22.12 N ATOM 1459 CA ALA A 88 2.993 2.722 9.681 1.00 73.23 C ATOM 1460 C ALA A 88 3.897 3.934 9.890 1.00 74.23 C ATOM 1461 O ALA A 88 4.375 4.185 10.998 1.00 24.24 O ATOM 1462 CB ALA A 88 3.802 1.533 9.184 1.00 21.25 C ATOM 0 H ALA A 88 1.985 2.575 7.842 1.00 22.12 H new ATOM 0 HA ALA A 88 2.547 2.458 10.640 1.00 73.23 H new ATOM 0 HB1 ALA A 88 4.601 1.315 9.892 1.00 21.25 H new ATOM 0 HB2 ALA A 88 3.151 0.663 9.092 1.00 21.25 H new ATOM 0 HB3 ALA A 88 4.234 1.768 8.211 1.00 21.25 H new ATOM 1468 N ALA A 89 4.106 4.699 8.824 1.00 72.11 N ATOM 1469 CA ALA A 89 4.974 5.870 8.876 1.00 53.13 C ATOM 1470 C ALA A 89 4.319 7.005 9.646 1.00 43.41 C ATOM 1471 O ALA A 89 4.998 7.883 10.179 1.00 24.34 O ATOM 1472 CB ALA A 89 5.336 6.326 7.470 1.00 74.44 C ATOM 0 H ALA A 89 3.685 4.528 7.911 1.00 72.11 H new ATOM 0 HA ALA A 89 5.887 5.588 9.401 1.00 53.13 H new ATOM 0 HB1 ALA A 89 5.984 7.201 7.527 1.00 74.44 H new ATOM 0 HB2 ALA A 89 5.856 5.522 6.949 1.00 74.44 H new ATOM 0 HB3 ALA A 89 4.427 6.582 6.925 1.00 74.44 H new ATOM 1478 N ILE A 90 3.000 7.004 9.676 1.00 41.20 N ATOM 1479 CA ILE A 90 2.255 7.992 10.438 1.00 53.24 C ATOM 1480 C ILE A 90 2.157 7.584 11.909 1.00 54.14 C ATOM 1481 O ILE A 90 2.160 8.430 12.805 1.00 33.11 O ATOM 1482 CB ILE A 90 0.837 8.194 9.857 1.00 71.42 C ATOM 1483 CG1 ILE A 90 0.930 8.563 8.376 1.00 70.11 C ATOM 1484 CG2 ILE A 90 0.090 9.277 10.624 1.00 33.42 C ATOM 1485 CD1 ILE A 90 -0.405 8.585 7.670 1.00 25.12 C ATOM 0 H ILE A 90 2.419 6.328 9.180 1.00 41.20 H new ATOM 0 HA ILE A 90 2.797 8.935 10.367 1.00 53.24 H new ATOM 0 HB ILE A 90 0.283 7.261 9.958 1.00 71.42 H new ATOM 0 HG12 ILE A 90 1.396 9.544 8.284 1.00 70.11 H new ATOM 0 HG13 ILE A 90 1.585 7.851 7.874 1.00 70.11 H new ATOM 0 HG21 ILE A 90 -0.906 9.403 10.199 1.00 33.42 H new ATOM 0 HG22 ILE A 90 0.003 8.987 11.671 1.00 33.42 H new ATOM 0 HG23 ILE A 90 0.637 10.217 10.552 1.00 33.42 H new ATOM 0 HD11 ILE A 90 -0.259 8.855 6.624 1.00 25.12 H new ATOM 0 HD12 ILE A 90 -0.864 7.598 7.730 1.00 25.12 H new ATOM 0 HD13 ILE A 90 -1.056 9.318 8.146 1.00 25.12 H new ATOM 1497 N LYS A 91 2.091 6.279 12.144 1.00 42.14 N ATOM 1498 CA LYS A 91 1.890 5.743 13.487 1.00 54.23 C ATOM 1499 C LYS A 91 3.131 5.985 14.340 1.00 64.20 C ATOM 1500 O LYS A 91 3.034 6.420 15.487 1.00 30.54 O ATOM 1501 CB LYS A 91 1.571 4.243 13.391 1.00 63.21 C ATOM 1502 CG LYS A 91 0.898 3.648 14.622 1.00 0.42 C ATOM 1503 CD LYS A 91 1.885 3.349 15.740 1.00 5.12 C ATOM 1504 CE LYS A 91 1.211 2.629 16.898 1.00 32.54 C ATOM 1505 NZ LYS A 91 0.629 1.327 16.478 1.00 13.22 N ATOM 0 H LYS A 91 2.174 5.568 11.418 1.00 42.14 H new ATOM 0 HA LYS A 91 1.052 6.251 13.964 1.00 54.23 H new ATOM 0 HB2 LYS A 91 0.926 4.078 12.528 1.00 63.21 H new ATOM 0 HB3 LYS A 91 2.498 3.701 13.204 1.00 63.21 H new ATOM 0 HG2 LYS A 91 0.139 4.340 14.987 1.00 0.42 H new ATOM 0 HG3 LYS A 91 0.383 2.729 14.342 1.00 0.42 H new ATOM 0 HD2 LYS A 91 2.700 2.737 15.354 1.00 5.12 H new ATOM 0 HD3 LYS A 91 2.327 4.280 16.096 1.00 5.12 H new ATOM 0 HE2 LYS A 91 1.937 2.462 17.694 1.00 32.54 H new ATOM 0 HE3 LYS A 91 0.425 3.262 17.311 1.00 32.54 H new ATOM 0 HZ1 LYS A 91 0.472 0.731 17.315 1.00 13.22 H new ATOM 0 HZ2 LYS A 91 -0.277 1.492 15.995 1.00 13.22 H new ATOM 0 HZ3 LYS A 91 1.285 0.847 15.829 1.00 13.22 H new ATOM 1519 N LYS A 92 4.296 5.710 13.768 1.00 50.40 N ATOM 1520 CA LYS A 92 5.558 6.034 14.403 1.00 31.03 C ATOM 1521 C LYS A 92 6.678 5.987 13.374 1.00 3.32 C ATOM 1522 O LYS A 92 7.520 5.089 13.388 1.00 55.10 O ATOM 1523 CB LYS A 92 5.854 5.069 15.551 1.00 14.40 C ATOM 1524 CG LYS A 92 7.024 5.495 16.413 1.00 42.23 C ATOM 1525 CD LYS A 92 7.272 4.498 17.522 1.00 45.44 C ATOM 1526 CE LYS A 92 8.374 4.981 18.452 1.00 23.15 C ATOM 1527 NZ LYS A 92 8.622 4.043 19.578 1.00 60.03 N ATOM 0 H LYS A 92 4.388 5.259 12.858 1.00 50.40 H new ATOM 0 HA LYS A 92 5.491 7.041 14.816 1.00 31.03 H new ATOM 0 HB2 LYS A 92 4.966 4.978 16.177 1.00 14.40 H new ATOM 0 HB3 LYS A 92 6.057 4.080 15.140 1.00 14.40 H new ATOM 0 HG2 LYS A 92 7.918 5.589 15.797 1.00 42.23 H new ATOM 0 HG3 LYS A 92 6.826 6.478 16.840 1.00 42.23 H new ATOM 0 HD2 LYS A 92 6.354 4.344 18.089 1.00 45.44 H new ATOM 0 HD3 LYS A 92 7.548 3.534 17.094 1.00 45.44 H new ATOM 0 HE2 LYS A 92 9.294 5.111 17.883 1.00 23.15 H new ATOM 0 HE3 LYS A 92 8.105 5.959 18.851 1.00 23.15 H new ATOM 0 HZ1 LYS A 92 9.381 4.418 20.182 1.00 60.03 H new ATOM 0 HZ2 LYS A 92 7.753 3.938 20.140 1.00 60.03 H new ATOM 0 HZ3 LYS A 92 8.905 3.116 19.202 1.00 60.03 H new ATOM 1541 N GLY A 93 6.654 6.933 12.453 1.00 14.32 N ATOM 1542 CA GLY A 93 7.683 6.996 11.441 1.00 65.31 C ATOM 1543 C GLY A 93 8.179 8.406 11.207 1.00 62.43 C ATOM 1544 O GLY A 93 9.251 8.779 11.682 1.00 44.51 O ATOM 0 H GLY A 93 5.940 7.659 12.388 1.00 14.32 H new ATOM 0 HA2 GLY A 93 8.520 6.364 11.739 1.00 65.31 H new ATOM 0 HA3 GLY A 93 7.295 6.591 10.507 1.00 65.31 H new ATOM 1548 N TYR A 94 7.390 9.199 10.493 1.00 10.20 N ATOM 1549 CA TYR A 94 7.812 10.542 10.123 1.00 42.34 C ATOM 1550 C TYR A 94 6.609 11.433 9.818 1.00 12.11 C ATOM 1551 O TYR A 94 6.579 12.603 10.201 1.00 51.40 O ATOM 1552 CB TYR A 94 8.723 10.469 8.896 1.00 23.21 C ATOM 1553 CG TYR A 94 9.795 11.533 8.863 1.00 44.43 C ATOM 1554 CD1 TYR A 94 9.502 12.844 8.509 1.00 64.13 C ATOM 1555 CD2 TYR A 94 11.108 11.219 9.190 1.00 63.10 C ATOM 1556 CE1 TYR A 94 10.488 13.812 8.483 1.00 52.15 C ATOM 1557 CE2 TYR A 94 12.098 12.181 9.168 1.00 64.02 C ATOM 1558 CZ TYR A 94 11.784 13.476 8.813 1.00 75.02 C ATOM 1559 OH TYR A 94 12.768 14.440 8.794 1.00 22.24 O ATOM 0 H TYR A 94 6.462 8.937 10.161 1.00 10.20 H new ATOM 0 HA TYR A 94 8.354 10.977 10.963 1.00 42.34 H new ATOM 0 HB2 TYR A 94 9.198 9.488 8.866 1.00 23.21 H new ATOM 0 HB3 TYR A 94 8.112 10.555 7.997 1.00 23.21 H new ATOM 0 HD1 TYR A 94 8.488 13.111 8.250 1.00 64.13 H new ATOM 0 HD2 TYR A 94 11.359 10.205 9.466 1.00 63.10 H new ATOM 0 HE1 TYR A 94 10.245 14.827 8.205 1.00 52.15 H new ATOM 0 HE2 TYR A 94 13.113 11.921 9.428 1.00 64.02 H new ATOM 0 HH TYR A 94 13.624 14.039 9.053 1.00 22.24 H new ATOM 1569 N MET A 95 5.622 10.871 9.129 1.00 21.54 N ATOM 1570 CA MET A 95 4.458 11.627 8.687 1.00 21.31 C ATOM 1571 C MET A 95 3.533 11.950 9.854 1.00 1.40 C ATOM 1572 O MET A 95 3.292 11.107 10.717 1.00 24.35 O ATOM 1573 CB MET A 95 3.699 10.832 7.626 1.00 64.34 C ATOM 1574 CG MET A 95 4.539 10.476 6.409 1.00 73.23 C ATOM 1575 SD MET A 95 3.640 9.473 5.209 1.00 70.23 S ATOM 1576 CE MET A 95 2.336 10.605 4.736 1.00 22.43 C ATOM 0 H MET A 95 5.606 9.886 8.863 1.00 21.54 H new ATOM 0 HA MET A 95 4.805 12.568 8.261 1.00 21.31 H new ATOM 0 HB2 MET A 95 3.320 9.914 8.075 1.00 64.34 H new ATOM 0 HB3 MET A 95 2.833 11.410 7.302 1.00 64.34 H new ATOM 0 HG2 MET A 95 4.879 11.393 5.927 1.00 73.23 H new ATOM 0 HG3 MET A 95 5.429 9.936 6.733 1.00 73.23 H new ATOM 0 HE1 MET A 95 2.247 10.624 3.650 1.00 22.43 H new ATOM 0 HE2 MET A 95 1.393 10.276 5.172 1.00 22.43 H new ATOM 0 HE3 MET A 95 2.574 11.605 5.098 1.00 22.43 H new ATOM 1586 N GLU A 96 3.029 13.179 9.884 1.00 33.42 N ATOM 1587 CA GLU A 96 2.101 13.594 10.930 1.00 63.05 C ATOM 1588 C GLU A 96 0.658 13.457 10.454 1.00 14.34 C ATOM 1589 O GLU A 96 -0.191 12.913 11.161 1.00 24.52 O ATOM 1590 CB GLU A 96 2.368 15.038 11.350 1.00 4.43 C ATOM 1591 CG GLU A 96 3.768 15.275 11.885 1.00 11.25 C ATOM 1592 CD GLU A 96 3.993 16.716 12.281 1.00 54.20 C ATOM 1593 OE1 GLU A 96 4.251 17.551 11.388 1.00 21.54 O ATOM 1594 OE2 GLU A 96 3.900 17.026 13.487 1.00 74.35 O ATOM 0 H GLU A 96 3.246 13.903 9.199 1.00 33.42 H new ATOM 0 HA GLU A 96 2.255 12.943 11.790 1.00 63.05 H new ATOM 0 HB2 GLU A 96 2.202 15.692 10.494 1.00 4.43 H new ATOM 0 HB3 GLU A 96 1.645 15.323 12.114 1.00 4.43 H new ATOM 0 HG2 GLU A 96 3.938 14.632 12.749 1.00 11.25 H new ATOM 0 HG3 GLU A 96 4.498 14.990 11.127 1.00 11.25 H new ATOM 1601 N ASN A 97 0.390 13.951 9.253 1.00 51.12 N ATOM 1602 CA ASN A 97 -0.941 13.892 8.677 1.00 61.43 C ATOM 1603 C ASN A 97 -0.976 12.867 7.557 1.00 51.24 C ATOM 1604 O ASN A 97 0.059 12.513 6.992 1.00 61.25 O ATOM 1605 CB ASN A 97 -1.392 15.267 8.164 1.00 4.40 C ATOM 1606 CG ASN A 97 -0.429 15.881 7.163 1.00 14.22 C ATOM 1607 OD1 ASN A 97 -0.523 15.647 5.959 1.00 24.14 O ATOM 1608 ND2 ASN A 97 0.488 16.701 7.654 1.00 5.32 N ATOM 0 H ASN A 97 1.085 14.400 8.657 1.00 51.12 H new ATOM 0 HA ASN A 97 -1.637 13.589 9.459 1.00 61.43 H new ATOM 0 HB2 ASN A 97 -2.374 15.170 7.700 1.00 4.40 H new ATOM 0 HB3 ASN A 97 -1.505 15.944 9.011 1.00 4.40 H new ATOM 0 HD21 ASN A 97 1.147 17.163 7.027 1.00 5.32 H new ATOM 0 HD22 ASN A 97 0.535 16.870 8.659 1.00 5.32 H new ATOM 1615 N ASP A 98 -2.167 12.389 7.265 1.00 32.24 N ATOM 1616 CA ASP A 98 -2.363 11.340 6.288 1.00 33.40 C ATOM 1617 C ASP A 98 -3.016 11.887 5.023 1.00 53.12 C ATOM 1618 O ASP A 98 -3.737 12.884 5.066 1.00 55.51 O ATOM 1619 CB ASP A 98 -3.242 10.245 6.882 1.00 55.34 C ATOM 1620 CG ASP A 98 -4.477 10.786 7.563 1.00 50.30 C ATOM 1621 OD1 ASP A 98 -4.371 11.261 8.713 1.00 4.54 O ATOM 1622 OD2 ASP A 98 -5.560 10.734 6.950 1.00 51.32 O ATOM 0 H ASP A 98 -3.029 12.718 7.700 1.00 32.24 H new ATOM 0 HA ASP A 98 -1.388 10.930 6.024 1.00 33.40 H new ATOM 0 HB2 ASP A 98 -3.541 9.558 6.091 1.00 55.34 H new ATOM 0 HB3 ASP A 98 -2.660 9.669 7.601 1.00 55.34 H new ATOM 1627 N PRO A 99 -2.778 11.232 3.877 1.00 4.13 N ATOM 1628 CA PRO A 99 -3.336 11.659 2.593 1.00 10.32 C ATOM 1629 C PRO A 99 -4.823 11.334 2.450 1.00 54.33 C ATOM 1630 O PRO A 99 -5.517 11.939 1.633 1.00 44.01 O ATOM 1631 CB PRO A 99 -2.520 10.860 1.577 1.00 25.41 C ATOM 1632 CG PRO A 99 -2.129 9.625 2.306 1.00 63.25 C ATOM 1633 CD PRO A 99 -1.922 10.040 3.737 1.00 13.10 C ATOM 0 HA PRO A 99 -3.275 12.740 2.468 1.00 10.32 H new ATOM 0 HB2 PRO A 99 -3.108 10.628 0.689 1.00 25.41 H new ATOM 0 HB3 PRO A 99 -1.645 11.418 1.243 1.00 25.41 H new ATOM 0 HG2 PRO A 99 -2.905 8.863 2.228 1.00 63.25 H new ATOM 0 HG3 PRO A 99 -1.218 9.196 1.888 1.00 63.25 H new ATOM 0 HD2 PRO A 99 -2.215 9.252 4.430 1.00 13.10 H new ATOM 0 HD3 PRO A 99 -0.876 10.271 3.941 1.00 13.10 H new ATOM 1641 N PHE A 100 -5.321 10.390 3.248 1.00 31.03 N ATOM 1642 CA PHE A 100 -6.708 9.961 3.125 1.00 44.15 C ATOM 1643 C PHE A 100 -7.640 10.860 3.917 1.00 63.35 C ATOM 1644 O PHE A 100 -8.863 10.725 3.862 1.00 20.14 O ATOM 1645 CB PHE A 100 -6.883 8.492 3.511 1.00 34.32 C ATOM 1646 CG PHE A 100 -6.369 8.090 4.865 1.00 24.15 C ATOM 1647 CD1 PHE A 100 -7.192 8.138 5.978 1.00 60.20 C ATOM 1648 CD2 PHE A 100 -5.072 7.621 5.015 1.00 22.51 C ATOM 1649 CE1 PHE A 100 -6.730 7.735 7.218 1.00 5.42 C ATOM 1650 CE2 PHE A 100 -4.607 7.213 6.251 1.00 63.04 C ATOM 1651 CZ PHE A 100 -5.437 7.271 7.354 1.00 41.23 C ATOM 0 H PHE A 100 -4.790 9.914 3.977 1.00 31.03 H new ATOM 0 HA PHE A 100 -6.982 10.052 2.074 1.00 44.15 H new ATOM 0 HB2 PHE A 100 -7.945 8.251 3.463 1.00 34.32 H new ATOM 0 HB3 PHE A 100 -6.383 7.880 2.760 1.00 34.32 H new ATOM 0 HD1 PHE A 100 -8.206 8.494 5.877 1.00 60.20 H new ATOM 0 HD2 PHE A 100 -4.418 7.574 4.156 1.00 22.51 H new ATOM 0 HE1 PHE A 100 -7.380 7.783 8.079 1.00 5.42 H new ATOM 0 HE2 PHE A 100 -3.595 6.849 6.355 1.00 63.04 H new ATOM 0 HZ PHE A 100 -5.075 6.954 8.321 1.00 41.23 H new ATOM 1661 N LYS A 101 -7.043 11.772 4.653 1.00 53.22 N ATOM 1662 CA LYS A 101 -7.759 12.863 5.278 1.00 40.12 C ATOM 1663 C LYS A 101 -8.418 13.732 4.213 1.00 54.14 C ATOM 1664 O LYS A 101 -9.578 14.129 4.343 1.00 41.14 O ATOM 1665 CB LYS A 101 -6.784 13.708 6.093 1.00 52.03 C ATOM 1666 CG LYS A 101 -6.860 13.482 7.594 1.00 4.34 C ATOM 1667 CD LYS A 101 -8.257 13.723 8.140 1.00 11.44 C ATOM 1668 CE LYS A 101 -8.760 15.116 7.804 1.00 15.44 C ATOM 1669 NZ LYS A 101 -10.017 15.431 8.532 1.00 75.20 N ATOM 0 H LYS A 101 -6.040 11.777 4.836 1.00 53.22 H new ATOM 0 HA LYS A 101 -8.530 12.457 5.933 1.00 40.12 H new ATOM 0 HB2 LYS A 101 -5.769 13.495 5.757 1.00 52.03 H new ATOM 0 HB3 LYS A 101 -6.974 14.761 5.886 1.00 52.03 H new ATOM 0 HG2 LYS A 101 -6.554 12.461 7.822 1.00 4.34 H new ATOM 0 HG3 LYS A 101 -6.156 14.146 8.096 1.00 4.34 H new ATOM 0 HD2 LYS A 101 -8.941 12.980 7.729 1.00 11.44 H new ATOM 0 HD3 LYS A 101 -8.253 13.589 9.222 1.00 11.44 H new ATOM 0 HE2 LYS A 101 -7.997 15.851 8.059 1.00 15.44 H new ATOM 0 HE3 LYS A 101 -8.931 15.193 6.730 1.00 15.44 H new ATOM 0 HZ1 LYS A 101 -10.333 16.389 8.280 1.00 75.20 H new ATOM 0 HZ2 LYS A 101 -10.752 14.744 8.269 1.00 75.20 H new ATOM 0 HZ3 LYS A 101 -9.847 15.381 9.557 1.00 75.20 H new ATOM 1683 N ASP A 102 -7.661 14.006 3.154 1.00 32.33 N ATOM 1684 CA ASP A 102 -8.119 14.855 2.057 1.00 1.42 C ATOM 1685 C ASP A 102 -8.454 14.022 0.824 1.00 33.13 C ATOM 1686 O ASP A 102 -8.755 14.561 -0.241 1.00 71.23 O ATOM 1687 CB ASP A 102 -7.043 15.885 1.697 1.00 43.50 C ATOM 1688 CG ASP A 102 -7.302 17.255 2.294 1.00 22.24 C ATOM 1689 OD1 ASP A 102 -7.262 17.394 3.537 1.00 33.43 O ATOM 1690 OD2 ASP A 102 -7.542 18.207 1.520 1.00 21.43 O ATOM 0 H ASP A 102 -6.714 13.647 3.032 1.00 32.33 H new ATOM 0 HA ASP A 102 -9.021 15.370 2.388 1.00 1.42 H new ATOM 0 HB2 ASP A 102 -6.074 15.523 2.041 1.00 43.50 H new ATOM 0 HB3 ASP A 102 -6.983 15.974 0.612 1.00 43.50 H new ATOM 1695 N PHE A 103 -8.418 12.707 0.983 1.00 42.33 N ATOM 1696 CA PHE A 103 -8.657 11.781 -0.114 1.00 74.02 C ATOM 1697 C PHE A 103 -10.137 11.747 -0.459 1.00 44.43 C ATOM 1698 O PHE A 103 -10.913 10.970 0.100 1.00 1.51 O ATOM 1699 CB PHE A 103 -8.157 10.381 0.250 1.00 73.12 C ATOM 1700 CG PHE A 103 -8.195 9.398 -0.888 1.00 71.44 C ATOM 1701 CD1 PHE A 103 -7.254 9.456 -1.901 1.00 22.50 C ATOM 1702 CD2 PHE A 103 -9.166 8.410 -0.935 1.00 32.52 C ATOM 1703 CE1 PHE A 103 -7.280 8.547 -2.940 1.00 54.43 C ATOM 1704 CE2 PHE A 103 -9.197 7.500 -1.973 1.00 50.03 C ATOM 1705 CZ PHE A 103 -8.252 7.568 -2.976 1.00 22.12 C ATOM 0 H PHE A 103 -8.223 12.252 1.875 1.00 42.33 H new ATOM 0 HA PHE A 103 -8.105 12.125 -0.989 1.00 74.02 H new ATOM 0 HB2 PHE A 103 -7.133 10.457 0.616 1.00 73.12 H new ATOM 0 HB3 PHE A 103 -8.761 9.994 1.071 1.00 73.12 H new ATOM 0 HD1 PHE A 103 -6.491 10.220 -1.879 1.00 22.50 H new ATOM 0 HD2 PHE A 103 -9.907 8.351 -0.151 1.00 32.52 H new ATOM 0 HE1 PHE A 103 -6.540 8.602 -3.724 1.00 54.43 H new ATOM 0 HE2 PHE A 103 -9.960 6.736 -2.000 1.00 50.03 H new ATOM 0 HZ PHE A 103 -8.273 6.856 -3.788 1.00 22.12 H new ATOM 1715 N GLY A 104 -10.517 12.637 -1.347 1.00 71.20 N ATOM 1716 CA GLY A 104 -11.906 12.746 -1.750 1.00 22.43 C ATOM 1717 C GLY A 104 -12.614 13.813 -0.951 1.00 44.05 C ATOM 1718 O GLY A 104 -13.816 14.041 -1.103 1.00 23.43 O ATOM 0 H GLY A 104 -9.887 13.296 -1.805 1.00 71.20 H new ATOM 0 HA2 GLY A 104 -11.964 12.983 -2.812 1.00 22.43 H new ATOM 0 HA3 GLY A 104 -12.406 11.788 -1.609 1.00 22.43 H new ATOM 1722 N LEU A 105 -11.847 14.462 -0.090 1.00 3.04 N ATOM 1723 CA LEU A 105 -12.345 15.527 0.760 1.00 33.23 C ATOM 1724 C LEU A 105 -11.294 16.619 0.861 1.00 21.13 C ATOM 1725 O LEU A 105 -10.679 16.805 1.913 1.00 54.21 O ATOM 1726 CB LEU A 105 -12.676 14.997 2.160 1.00 2.50 C ATOM 1727 CG LEU A 105 -13.838 14.005 2.238 1.00 64.33 C ATOM 1728 CD1 LEU A 105 -13.912 13.388 3.624 1.00 43.44 C ATOM 1729 CD2 LEU A 105 -15.150 14.697 1.894 1.00 44.20 C ATOM 0 H LEU A 105 -10.855 14.262 0.038 1.00 3.04 H new ATOM 0 HA LEU A 105 -13.258 15.929 0.321 1.00 33.23 H new ATOM 0 HB2 LEU A 105 -11.786 14.517 2.566 1.00 2.50 H new ATOM 0 HB3 LEU A 105 -12.903 15.846 2.805 1.00 2.50 H new ATOM 0 HG LEU A 105 -13.666 13.210 1.513 1.00 64.33 H new ATOM 0 HD11 LEU A 105 -14.743 12.684 3.665 1.00 43.44 H new ATOM 0 HD12 LEU A 105 -12.981 12.863 3.839 1.00 43.44 H new ATOM 0 HD13 LEU A 105 -14.065 14.173 4.364 1.00 43.44 H new ATOM 0 HD21 LEU A 105 -15.967 13.978 1.954 1.00 44.20 H new ATOM 0 HD22 LEU A 105 -15.329 15.509 2.599 1.00 44.20 H new ATOM 0 HD23 LEU A 105 -15.095 15.100 0.883 1.00 44.20 H new ATOM 1741 N GLU A 106 -11.065 17.316 -0.245 1.00 13.41 N ATOM 1742 CA GLU A 106 -10.048 18.355 -0.286 1.00 31.11 C ATOM 1743 C GLU A 106 -10.445 19.524 0.605 1.00 51.10 C ATOM 1744 O GLU A 106 -11.306 20.338 0.259 1.00 74.10 O ATOM 1745 CB GLU A 106 -9.748 18.819 -1.723 1.00 63.11 C ATOM 1746 CG GLU A 106 -10.966 18.989 -2.623 1.00 13.12 C ATOM 1747 CD GLU A 106 -11.527 17.669 -3.116 1.00 15.53 C ATOM 1748 OE1 GLU A 106 -10.941 17.070 -4.042 1.00 23.21 O ATOM 1749 OE2 GLU A 106 -12.559 17.225 -2.575 1.00 1.31 O ATOM 0 H GLU A 106 -11.569 17.180 -1.122 1.00 13.41 H new ATOM 0 HA GLU A 106 -9.123 17.926 0.101 1.00 31.11 H new ATOM 0 HB2 GLU A 106 -9.217 19.769 -1.676 1.00 63.11 H new ATOM 0 HB3 GLU A 106 -9.073 18.099 -2.186 1.00 63.11 H new ATOM 0 HG2 GLU A 106 -11.742 19.526 -2.078 1.00 13.12 H new ATOM 0 HG3 GLU A 106 -10.694 19.605 -3.480 1.00 13.12 H new ATOM 1756 N HIS A 107 -9.815 19.570 1.766 1.00 32.24 N ATOM 1757 CA HIS A 107 -10.117 20.550 2.795 1.00 41.24 C ATOM 1758 C HIS A 107 -8.813 21.103 3.372 1.00 45.41 C ATOM 1759 O HIS A 107 -8.819 21.976 4.244 1.00 25.21 O ATOM 1760 CB HIS A 107 -10.979 19.886 3.884 1.00 24.12 C ATOM 1761 CG HIS A 107 -11.315 20.758 5.057 1.00 71.53 C ATOM 1762 ND1 HIS A 107 -12.005 21.947 4.950 1.00 33.54 N ATOM 1763 CD2 HIS A 107 -11.058 20.592 6.374 1.00 54.32 C ATOM 1764 CE1 HIS A 107 -12.158 22.472 6.151 1.00 71.21 C ATOM 1765 NE2 HIS A 107 -11.595 21.670 7.030 1.00 2.54 N ATOM 0 H HIS A 107 -9.071 18.921 2.024 1.00 32.24 H new ATOM 0 HA HIS A 107 -10.678 21.384 2.373 1.00 41.24 H new ATOM 0 HB2 HIS A 107 -11.908 19.543 3.429 1.00 24.12 H new ATOM 0 HB3 HIS A 107 -10.457 19.001 4.248 1.00 24.12 H new ATOM 0 HD2 HIS A 107 -10.529 19.765 6.825 1.00 54.32 H new ATOM 0 HE1 HIS A 107 -12.660 23.402 6.375 1.00 71.21 H new ATOM 0 HE2 HIS A 107 -11.563 21.825 8.038 1.00 2.54 H new ATOM 1774 N HIS A 108 -7.694 20.582 2.875 1.00 14.11 N ATOM 1775 CA HIS A 108 -6.373 21.029 3.299 1.00 64.50 C ATOM 1776 C HIS A 108 -6.129 22.475 2.874 1.00 3.31 C ATOM 1777 O HIS A 108 -5.727 22.746 1.743 1.00 12.34 O ATOM 1778 CB HIS A 108 -5.291 20.109 2.722 1.00 70.44 C ATOM 1779 CG HIS A 108 -3.891 20.533 3.045 1.00 15.11 C ATOM 1780 ND1 HIS A 108 -3.078 21.175 2.138 1.00 32.21 N ATOM 1781 CD2 HIS A 108 -3.163 20.408 4.177 1.00 74.15 C ATOM 1782 CE1 HIS A 108 -1.912 21.429 2.696 1.00 25.05 C ATOM 1783 NE2 HIS A 108 -1.935 20.975 3.934 1.00 63.32 N ATOM 0 H HIS A 108 -7.678 19.843 2.172 1.00 14.11 H new ATOM 0 HA HIS A 108 -6.326 20.983 4.387 1.00 64.50 H new ATOM 0 HB2 HIS A 108 -5.449 19.099 3.099 1.00 70.44 H new ATOM 0 HB3 HIS A 108 -5.405 20.066 1.639 1.00 70.44 H new ATOM 0 HD2 HIS A 108 -3.486 19.949 5.100 1.00 74.15 H new ATOM 0 HE1 HIS A 108 -1.079 21.925 2.220 1.00 25.05 H new ATOM 0 HE2 HIS A 108 -1.167 21.035 4.602 1.00 63.32 H new ATOM 1792 N HIS A 109 -6.392 23.399 3.784 1.00 30.31 N ATOM 1793 CA HIS A 109 -6.196 24.815 3.513 1.00 52.54 C ATOM 1794 C HIS A 109 -6.052 25.580 4.825 1.00 34.20 C ATOM 1795 O HIS A 109 -6.148 26.806 4.857 1.00 53.33 O ATOM 1796 CB HIS A 109 -7.378 25.357 2.706 1.00 53.44 C ATOM 1797 CG HIS A 109 -7.030 26.520 1.825 1.00 62.41 C ATOM 1798 ND1 HIS A 109 -7.875 27.585 1.610 1.00 45.10 N ATOM 1799 CD2 HIS A 109 -5.932 26.758 1.068 1.00 13.42 C ATOM 1800 CE1 HIS A 109 -7.314 28.423 0.758 1.00 54.33 C ATOM 1801 NE2 HIS A 109 -6.133 27.946 0.414 1.00 21.44 N ATOM 0 H HIS A 109 -6.743 23.194 4.719 1.00 30.31 H new ATOM 0 HA HIS A 109 -5.284 24.947 2.931 1.00 52.54 H new ATOM 0 HB2 HIS A 109 -7.782 24.555 2.089 1.00 53.44 H new ATOM 0 HB3 HIS A 109 -8.167 25.659 3.394 1.00 53.44 H new ATOM 0 HD2 HIS A 109 -5.058 26.127 0.993 1.00 13.42 H new ATOM 0 HE1 HIS A 109 -7.749 29.345 0.402 1.00 54.33 H new ATOM 0 HE2 HIS A 109 -5.478 28.388 -0.231 1.00 21.44 H new ATOM 1810 N HIS A 110 -5.805 24.841 5.905 1.00 53.30 N ATOM 1811 CA HIS A 110 -5.690 25.439 7.233 1.00 53.22 C ATOM 1812 C HIS A 110 -4.305 26.059 7.420 1.00 63.41 C ATOM 1813 O HIS A 110 -4.105 26.910 8.288 1.00 2.22 O ATOM 1814 CB HIS A 110 -5.956 24.385 8.317 1.00 74.22 C ATOM 1815 CG HIS A 110 -6.251 24.961 9.670 1.00 2.21 C ATOM 1816 ND1 HIS A 110 -6.003 24.288 10.847 1.00 11.52 N ATOM 1817 CD2 HIS A 110 -6.804 26.144 10.027 1.00 43.31 C ATOM 1818 CE1 HIS A 110 -6.389 25.031 11.866 1.00 73.44 C ATOM 1819 NE2 HIS A 110 -6.880 26.162 11.397 1.00 20.41 N ATOM 0 H HIS A 110 -5.681 23.829 5.886 1.00 53.30 H new ATOM 0 HA HIS A 110 -6.437 26.228 7.325 1.00 53.22 H new ATOM 0 HB2 HIS A 110 -6.797 23.764 8.007 1.00 74.22 H new ATOM 0 HB3 HIS A 110 -5.088 23.731 8.394 1.00 74.22 H new ATOM 0 HD2 HIS A 110 -7.126 26.928 9.358 1.00 43.31 H new ATOM 0 HE1 HIS A 110 -6.315 24.759 12.909 1.00 73.44 H new ATOM 0 HE2 HIS A 110 -7.255 26.925 11.961 1.00 20.41 H new ATOM 1828 N HIS A 111 -3.355 25.634 6.595 1.00 22.54 N ATOM 1829 CA HIS A 111 -2.013 26.195 6.631 1.00 74.03 C ATOM 1830 C HIS A 111 -1.880 27.310 5.605 1.00 4.20 C ATOM 1831 O HIS A 111 -1.934 27.068 4.398 1.00 21.35 O ATOM 1832 CB HIS A 111 -0.951 25.119 6.376 1.00 51.13 C ATOM 1833 CG HIS A 111 0.448 25.665 6.307 1.00 74.54 C ATOM 1834 ND1 HIS A 111 1.203 25.954 7.423 1.00 2.44 N ATOM 1835 CD2 HIS A 111 1.217 25.998 5.244 1.00 61.33 C ATOM 1836 CE1 HIS A 111 2.370 26.443 7.048 1.00 31.54 C ATOM 1837 NE2 HIS A 111 2.404 26.479 5.731 1.00 44.42 N ATOM 0 H HIS A 111 -3.490 24.904 5.895 1.00 22.54 H new ATOM 0 HA HIS A 111 -1.849 26.603 7.628 1.00 74.03 H new ATOM 0 HB2 HIS A 111 -1.003 24.373 7.169 1.00 51.13 H new ATOM 0 HB3 HIS A 111 -1.180 24.607 5.441 1.00 51.13 H new ATOM 0 HD2 HIS A 111 0.945 25.902 4.203 1.00 61.33 H new ATOM 0 HE1 HIS A 111 3.163 26.760 7.709 1.00 31.54 H new ATOM 0 HE2 HIS A 111 3.186 26.811 5.166 1.00 44.42 H new ATOM 1846 N HIS A 112 -1.715 28.521 6.099 1.00 62.52 N ATOM 1847 CA HIS A 112 -1.507 29.683 5.254 1.00 62.12 C ATOM 1848 C HIS A 112 -0.278 30.436 5.750 1.00 22.51 C ATOM 1849 O HIS A 112 -0.421 31.250 6.684 1.00 38.38 O ATOM 1850 CB HIS A 112 -2.751 30.584 5.281 1.00 21.42 C ATOM 1851 CG HIS A 112 -2.641 31.827 4.447 1.00 0.30 C ATOM 1852 ND1 HIS A 112 -2.196 33.026 4.953 1.00 44.20 N ATOM 1853 CD2 HIS A 112 -2.952 32.063 3.151 1.00 32.44 C ATOM 1854 CE1 HIS A 112 -2.238 33.946 4.012 1.00 70.01 C ATOM 1855 NE2 HIS A 112 -2.694 33.391 2.905 1.00 24.34 N ATOM 1856 OXT HIS A 112 0.825 30.180 5.233 1.00 38.38 O ATOM 0 H HIS A 112 -1.721 28.729 7.098 1.00 62.52 H new ATOM 0 HA HIS A 112 -1.343 29.371 4.223 1.00 62.12 H new ATOM 0 HB2 HIS A 112 -3.609 30.006 4.937 1.00 21.42 H new ATOM 0 HB3 HIS A 112 -2.953 30.871 6.313 1.00 21.42 H new ATOM 0 HD2 HIS A 112 -3.332 31.342 2.442 1.00 32.44 H new ATOM 0 HE1 HIS A 112 -1.948 34.980 4.127 1.00 70.01 H new ATOM 0 HE2 HIS A 112 -2.832 33.868 2.014 1.00 24.34 H new TER 1865 HIS A 112