USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 853 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 82 LYS NZ :NH3+ 139:sc= -1.41 (180deg=-2.39!) USER MOD Set 1.2: A 84 GLN : amide:sc= -1.28 K(o=-2.7,f=-0.62) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00556 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -179:sc= -0.794 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -125:sc= -0.938 (180deg=-2.65!) USER MOD Single : A 43 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.13) USER MOD Single : A 44 SER OG : rot 151:sc= 1.01 USER MOD Single : A 46 SER OG : rot 94:sc= -0.753 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -2.17! C(o=-2.2!,f=-2!) USER MOD Single : A 63 GLN : amide:sc= -0.0224 K(o=-0.022,f=-0.82) USER MOD Single : A 67 SER OG : rot 67:sc= 1.08 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 76 THR OG1 : rot -43:sc= -1.2! USER MOD Single : A 78 GLN : amide:sc= -4.41! C(o=-4.4!,f=-4.4!) USER MOD Single : A 81 LYS NZ :NH3+ -149:sc= 0.388 (180deg=-0.0674) USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= -0.664 (180deg=-1.3) USER MOD Single : A 90 SER OG : rot 116:sc= 1.25 USER MOD Single : A 93 ASN : amide:sc= -5.08! K(o=-5.1!,f=-1.4) USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00234) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 79:sc= 0.363 USER MOD Single : A 102 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.4!) USER MOD Single : B 5 TYR OH : rot 0:sc= -2.95 USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -4.090 -1.672 8.888 1.00 0.24 N ATOM 21 CA VAL A 2 -2.777 -1.592 8.175 1.00 0.19 C ATOM 22 C VAL A 2 -2.035 -2.926 8.308 1.00 0.22 C ATOM 23 O VAL A 2 -2.410 -3.784 9.082 1.00 0.28 O ATOM 24 CB VAL A 2 -1.937 -0.470 8.795 1.00 0.20 C ATOM 25 CG1 VAL A 2 -0.554 -0.418 8.129 1.00 0.18 C ATOM 26 CG2 VAL A 2 -2.654 0.869 8.594 1.00 0.30 C ATOM 0 HA VAL A 2 -2.946 -1.382 7.119 1.00 0.19 H new ATOM 0 HB VAL A 2 -1.810 -0.663 9.860 1.00 0.20 H new ATOM 0 HG11 VAL A 2 0.035 0.382 8.576 1.00 0.18 H new ATOM 0 HG12 VAL A 2 -0.044 -1.370 8.275 1.00 0.18 H new ATOM 0 HG13 VAL A 2 -0.671 -0.230 7.062 1.00 0.18 H new ATOM 0 HG21 VAL A 2 -2.059 1.670 9.034 1.00 0.30 H new ATOM 0 HG22 VAL A 2 -2.783 1.056 7.528 1.00 0.30 H new ATOM 0 HG23 VAL A 2 -3.631 0.835 9.077 1.00 0.30 H new ATOM 36 N LYS A 3 -0.982 -3.100 7.555 1.00 0.18 N ATOM 37 CA LYS A 3 -0.199 -4.370 7.622 1.00 0.22 C ATOM 38 C LYS A 3 1.235 -4.086 7.174 1.00 0.16 C ATOM 39 O LYS A 3 1.471 -3.615 6.080 1.00 0.13 O ATOM 40 CB LYS A 3 -0.824 -5.409 6.684 1.00 0.26 C ATOM 41 CG LYS A 3 -0.148 -6.784 6.868 1.00 0.34 C ATOM 42 CD LYS A 3 -0.808 -7.552 8.019 1.00 0.81 C ATOM 43 CE LYS A 3 -0.197 -8.952 8.106 1.00 1.37 C ATOM 44 NZ LYS A 3 -0.996 -9.782 9.052 1.00 1.97 N ATOM 0 H LYS A 3 -0.627 -2.412 6.891 1.00 0.18 H new ATOM 0 HA LYS A 3 -0.205 -4.755 8.642 1.00 0.22 H new ATOM 0 HB2 LYS A 3 -1.892 -5.493 6.886 1.00 0.26 H new ATOM 0 HB3 LYS A 3 -0.720 -5.082 5.649 1.00 0.26 H new ATOM 0 HG2 LYS A 3 -0.224 -7.361 5.946 1.00 0.34 H new ATOM 0 HG3 LYS A 3 0.914 -6.650 7.073 1.00 0.34 H new ATOM 0 HD2 LYS A 3 -0.661 -7.019 8.959 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -1.884 -7.621 7.856 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -0.182 -9.417 7.120 1.00 1.37 H new ATOM 0 HE3 LYS A 3 0.837 -8.889 8.444 1.00 1.37 H new ATOM 0 HZ1 LYS A 3 -0.582 -10.734 9.113 1.00 1.97 H new ATOM 0 HZ2 LYS A 3 -0.988 -9.340 9.993 1.00 1.97 H new ATOM 0 HZ3 LYS A 3 -1.976 -9.851 8.711 1.00 1.97 H new ATOM 58 N GLN A 4 2.196 -4.367 8.011 1.00 0.18 N ATOM 59 CA GLN A 4 3.616 -4.111 7.633 1.00 0.15 C ATOM 60 C GLN A 4 4.196 -5.349 6.944 1.00 0.13 C ATOM 61 O GLN A 4 4.071 -6.458 7.422 1.00 0.14 O ATOM 62 CB GLN A 4 4.429 -3.790 8.893 1.00 0.20 C ATOM 63 CG GLN A 4 5.938 -3.892 8.597 1.00 0.21 C ATOM 64 CD GLN A 4 6.732 -3.114 9.648 1.00 0.27 C ATOM 65 OE1 GLN A 4 6.418 -3.158 10.821 1.00 0.81 O ATOM 66 NE2 GLN A 4 7.756 -2.398 9.272 1.00 0.98 N ATOM 0 H GLN A 4 2.060 -4.763 8.941 1.00 0.18 H new ATOM 0 HA GLN A 4 3.663 -3.265 6.947 1.00 0.15 H new ATOM 0 HB2 GLN A 4 4.187 -2.787 9.244 1.00 0.20 H new ATOM 0 HB3 GLN A 4 4.161 -4.481 9.693 1.00 0.20 H new ATOM 0 HG2 GLN A 4 6.247 -4.937 8.596 1.00 0.21 H new ATOM 0 HG3 GLN A 4 6.149 -3.497 7.603 1.00 0.21 H new ATOM 0 HE21 GLN A 4 8.019 -2.362 8.287 1.00 0.98 H new ATOM 0 HE22 GLN A 4 8.294 -1.875 9.963 1.00 0.98 H new ATOM 75 N ILE A 5 4.845 -5.149 5.829 1.00 0.10 N ATOM 76 CA ILE A 5 5.470 -6.283 5.085 1.00 0.10 C ATOM 77 C ILE A 5 6.986 -6.179 5.249 1.00 0.10 C ATOM 78 O ILE A 5 7.604 -5.255 4.759 1.00 0.11 O ATOM 79 CB ILE A 5 5.133 -6.159 3.601 1.00 0.11 C ATOM 80 CG1 ILE A 5 3.620 -5.926 3.407 1.00 0.12 C ATOM 81 CG2 ILE A 5 5.596 -7.411 2.846 1.00 0.13 C ATOM 82 CD1 ILE A 5 2.776 -6.955 4.179 1.00 0.19 C ATOM 0 H ILE A 5 4.971 -4.235 5.395 1.00 0.10 H new ATOM 0 HA ILE A 5 5.101 -7.234 5.469 1.00 0.10 H new ATOM 0 HB ILE A 5 5.661 -5.298 3.193 1.00 0.11 H new ATOM 0 HG12 ILE A 5 3.362 -4.921 3.741 1.00 0.12 H new ATOM 0 HG13 ILE A 5 3.378 -5.981 2.346 1.00 0.12 H new ATOM 0 HG21 ILE A 5 5.350 -7.310 1.789 1.00 0.13 H new ATOM 0 HG22 ILE A 5 6.674 -7.526 2.958 1.00 0.13 H new ATOM 0 HG23 ILE A 5 5.093 -8.288 3.253 1.00 0.13 H new ATOM 0 HD11 ILE A 5 1.717 -6.754 4.015 1.00 0.19 H new ATOM 0 HD12 ILE A 5 3.014 -7.959 3.827 1.00 0.19 H new ATOM 0 HD13 ILE A 5 2.998 -6.882 5.244 1.00 0.19 H new ATOM 94 N GLU A 6 7.591 -7.106 5.940 1.00 0.11 N ATOM 95 CA GLU A 6 9.070 -7.050 6.146 1.00 0.14 C ATOM 96 C GLU A 6 9.763 -8.058 5.223 1.00 0.14 C ATOM 97 O GLU A 6 10.963 -8.017 5.037 1.00 0.17 O ATOM 98 CB GLU A 6 9.375 -7.398 7.601 1.00 0.18 C ATOM 99 CG GLU A 6 8.435 -6.618 8.521 1.00 0.31 C ATOM 100 CD GLU A 6 8.839 -6.853 9.978 1.00 1.20 C ATOM 101 OE1 GLU A 6 8.552 -7.924 10.486 1.00 1.97 O ATOM 102 OE2 GLU A 6 9.428 -5.957 10.560 1.00 1.96 O ATOM 0 H GLU A 6 7.125 -7.903 6.373 1.00 0.11 H new ATOM 0 HA GLU A 6 9.436 -6.050 5.915 1.00 0.14 H new ATOM 0 HB2 GLU A 6 9.253 -8.469 7.763 1.00 0.18 H new ATOM 0 HB3 GLU A 6 10.412 -7.156 7.834 1.00 0.18 H new ATOM 0 HG2 GLU A 6 8.479 -5.554 8.287 1.00 0.31 H new ATOM 0 HG3 GLU A 6 7.405 -6.937 8.362 1.00 0.31 H new ATOM 109 N SER A 7 9.021 -8.968 4.646 1.00 0.13 N ATOM 110 CA SER A 7 9.649 -9.977 3.738 1.00 0.15 C ATOM 111 C SER A 7 8.629 -10.450 2.698 1.00 0.14 C ATOM 112 O SER A 7 7.434 -10.326 2.876 1.00 0.12 O ATOM 113 CB SER A 7 10.133 -11.169 4.568 1.00 0.20 C ATOM 114 OG SER A 7 9.155 -11.485 5.550 1.00 0.23 O ATOM 0 H SER A 7 8.012 -9.057 4.763 1.00 0.13 H new ATOM 0 HA SER A 7 10.495 -9.523 3.221 1.00 0.15 H new ATOM 0 HB2 SER A 7 10.308 -12.030 3.922 1.00 0.20 H new ATOM 0 HB3 SER A 7 11.083 -10.932 5.047 1.00 0.20 H new ATOM 0 HG SER A 7 9.461 -12.249 6.082 1.00 0.23 H new ATOM 120 N LYS A 8 9.104 -10.993 1.611 1.00 0.15 N ATOM 121 CA LYS A 8 8.186 -11.482 0.544 1.00 0.14 C ATOM 122 C LYS A 8 7.144 -12.428 1.145 1.00 0.14 C ATOM 123 O LYS A 8 6.025 -12.511 0.678 1.00 0.13 O ATOM 124 CB LYS A 8 9.004 -12.230 -0.512 1.00 0.17 C ATOM 125 CG LYS A 8 8.133 -12.519 -1.736 1.00 0.21 C ATOM 126 CD LYS A 8 8.905 -13.415 -2.709 1.00 0.22 C ATOM 127 CE LYS A 8 7.983 -13.872 -3.845 1.00 1.06 C ATOM 128 NZ LYS A 8 8.617 -15.010 -4.570 1.00 1.90 N ATOM 0 H LYS A 8 10.097 -11.120 1.415 1.00 0.15 H new ATOM 0 HA LYS A 8 7.675 -10.634 0.088 1.00 0.14 H new ATOM 0 HB2 LYS A 8 9.870 -11.635 -0.803 1.00 0.17 H new ATOM 0 HB3 LYS A 8 9.384 -13.163 -0.097 1.00 0.17 H new ATOM 0 HG2 LYS A 8 7.208 -13.007 -1.431 1.00 0.21 H new ATOM 0 HG3 LYS A 8 7.854 -11.586 -2.226 1.00 0.21 H new ATOM 0 HD2 LYS A 8 9.758 -12.872 -3.118 1.00 0.22 H new ATOM 0 HD3 LYS A 8 9.302 -14.282 -2.181 1.00 0.22 H new ATOM 0 HE2 LYS A 8 7.016 -14.176 -3.444 1.00 1.06 H new ATOM 0 HE3 LYS A 8 7.798 -13.047 -4.532 1.00 1.06 H new ATOM 0 HZ1 LYS A 8 7.993 -15.321 -5.341 1.00 1.90 H new ATOM 0 HZ2 LYS A 8 9.529 -14.705 -4.965 1.00 1.90 H new ATOM 0 HZ3 LYS A 8 8.772 -15.799 -3.910 1.00 1.90 H new ATOM 142 N THR A 9 7.503 -13.152 2.169 1.00 0.16 N ATOM 143 CA THR A 9 6.534 -14.101 2.788 1.00 0.18 C ATOM 144 C THR A 9 5.302 -13.342 3.292 1.00 0.16 C ATOM 145 O THR A 9 4.178 -13.754 3.078 1.00 0.17 O ATOM 146 CB THR A 9 7.208 -14.823 3.954 1.00 0.21 C ATOM 147 OG1 THR A 9 8.513 -15.231 3.566 1.00 0.24 O ATOM 148 CG2 THR A 9 6.385 -16.050 4.351 1.00 0.25 C ATOM 0 H THR A 9 8.425 -13.128 2.604 1.00 0.16 H new ATOM 0 HA THR A 9 6.217 -14.829 2.041 1.00 0.18 H new ATOM 0 HB THR A 9 7.275 -14.146 4.806 1.00 0.21 H new ATOM 0 HG1 THR A 9 8.947 -15.693 4.313 1.00 0.24 H new ATOM 0 HG21 THR A 9 6.871 -16.560 5.183 1.00 0.25 H new ATOM 0 HG22 THR A 9 5.386 -15.736 4.652 1.00 0.25 H new ATOM 0 HG23 THR A 9 6.312 -16.729 3.502 1.00 0.25 H new ATOM 156 N ALA A 10 5.504 -12.244 3.965 1.00 0.16 N ATOM 157 CA ALA A 10 4.344 -11.465 4.490 1.00 0.17 C ATOM 158 C ALA A 10 3.575 -10.829 3.328 1.00 0.15 C ATOM 159 O ALA A 10 2.384 -10.602 3.411 1.00 0.17 O ATOM 160 CB ALA A 10 4.856 -10.367 5.427 1.00 0.20 C ATOM 0 H ALA A 10 6.421 -11.851 4.175 1.00 0.16 H new ATOM 0 HA ALA A 10 3.677 -12.133 5.036 1.00 0.17 H new ATOM 0 HB1 ALA A 10 4.012 -9.795 5.813 1.00 0.20 H new ATOM 0 HB2 ALA A 10 5.397 -10.820 6.257 1.00 0.20 H new ATOM 0 HB3 ALA A 10 5.524 -9.703 4.878 1.00 0.20 H new ATOM 166 N PHE A 11 4.243 -10.535 2.247 1.00 0.12 N ATOM 167 CA PHE A 11 3.542 -9.908 1.090 1.00 0.11 C ATOM 168 C PHE A 11 2.419 -10.821 0.603 1.00 0.13 C ATOM 169 O PHE A 11 1.254 -10.497 0.715 1.00 0.16 O ATOM 170 CB PHE A 11 4.538 -9.678 -0.052 1.00 0.10 C ATOM 171 CG PHE A 11 3.811 -9.098 -1.246 1.00 0.13 C ATOM 172 CD1 PHE A 11 3.311 -7.783 -1.191 1.00 0.16 C ATOM 173 CD2 PHE A 11 3.637 -9.867 -2.414 1.00 0.14 C ATOM 174 CE1 PHE A 11 2.636 -7.239 -2.300 1.00 0.20 C ATOM 175 CE2 PHE A 11 2.963 -9.321 -3.523 1.00 0.18 C ATOM 176 CZ PHE A 11 2.462 -8.008 -3.466 1.00 0.21 C ATOM 0 H PHE A 11 5.241 -10.701 2.114 1.00 0.12 H new ATOM 0 HA PHE A 11 3.120 -8.954 1.406 1.00 0.11 H new ATOM 0 HB2 PHE A 11 5.328 -9.000 0.271 1.00 0.10 H new ATOM 0 HB3 PHE A 11 5.017 -10.618 -0.326 1.00 0.10 H new ATOM 0 HD1 PHE A 11 3.445 -7.191 -0.298 1.00 0.16 H new ATOM 0 HD2 PHE A 11 4.021 -10.876 -2.458 1.00 0.14 H new ATOM 0 HE1 PHE A 11 2.251 -6.231 -2.256 1.00 0.20 H new ATOM 0 HE2 PHE A 11 2.831 -9.911 -4.418 1.00 0.18 H new ATOM 0 HZ PHE A 11 1.944 -7.590 -4.317 1.00 0.21 H new ATOM 186 N GLN A 12 2.757 -11.955 0.057 1.00 0.15 N ATOM 187 CA GLN A 12 1.706 -12.881 -0.450 1.00 0.19 C ATOM 188 C GLN A 12 0.715 -13.204 0.670 1.00 0.17 C ATOM 189 O GLN A 12 -0.482 -13.213 0.466 1.00 0.16 O ATOM 190 CB GLN A 12 2.360 -14.174 -0.949 1.00 0.24 C ATOM 191 CG GLN A 12 3.235 -14.778 0.156 1.00 1.21 C ATOM 192 CD GLN A 12 4.125 -15.872 -0.438 1.00 1.77 C ATOM 193 OE1 GLN A 12 5.176 -15.591 -0.979 1.00 2.35 O ATOM 194 NE2 GLN A 12 3.746 -17.119 -0.359 1.00 2.47 N ATOM 0 H GLN A 12 3.716 -12.281 -0.060 1.00 0.15 H new ATOM 0 HA GLN A 12 1.173 -12.404 -1.272 1.00 0.19 H new ATOM 0 HB2 GLN A 12 1.592 -14.888 -1.248 1.00 0.24 H new ATOM 0 HB3 GLN A 12 2.965 -13.968 -1.832 1.00 0.24 H new ATOM 0 HG2 GLN A 12 3.850 -14.002 0.612 1.00 1.21 H new ATOM 0 HG3 GLN A 12 2.608 -15.193 0.945 1.00 1.21 H new ATOM 0 HE21 GLN A 12 2.864 -17.356 0.095 1.00 2.47 H new ATOM 0 HE22 GLN A 12 4.332 -17.856 -0.751 1.00 2.47 H new ATOM 203 N GLU A 13 1.201 -13.470 1.850 1.00 0.19 N ATOM 204 CA GLU A 13 0.282 -13.792 2.975 1.00 0.20 C ATOM 205 C GLU A 13 -0.675 -12.619 3.212 1.00 0.18 C ATOM 206 O GLU A 13 -1.830 -12.807 3.541 1.00 0.19 O ATOM 207 CB GLU A 13 1.110 -14.059 4.237 1.00 0.25 C ATOM 208 CG GLU A 13 1.674 -15.483 4.198 1.00 0.30 C ATOM 209 CD GLU A 13 2.729 -15.648 5.294 1.00 1.29 C ATOM 210 OE1 GLU A 13 3.368 -14.663 5.628 1.00 2.03 O ATOM 211 OE2 GLU A 13 2.880 -16.757 5.781 1.00 2.10 O ATOM 0 H GLU A 13 2.194 -13.478 2.083 1.00 0.19 H new ATOM 0 HA GLU A 13 -0.303 -14.679 2.731 1.00 0.20 H new ATOM 0 HB2 GLU A 13 1.924 -13.338 4.308 1.00 0.25 H new ATOM 0 HB3 GLU A 13 0.490 -13.928 5.124 1.00 0.25 H new ATOM 0 HG2 GLU A 13 0.871 -16.207 4.340 1.00 0.30 H new ATOM 0 HG3 GLU A 13 2.115 -15.684 3.222 1.00 0.30 H new ATOM 218 N ALA A 14 -0.211 -11.409 3.047 1.00 0.18 N ATOM 219 CA ALA A 14 -1.105 -10.236 3.264 1.00 0.18 C ATOM 220 C ALA A 14 -2.279 -10.299 2.279 1.00 0.18 C ATOM 221 O ALA A 14 -3.419 -10.084 2.639 1.00 0.19 O ATOM 222 CB ALA A 14 -0.311 -8.949 3.034 1.00 0.20 C ATOM 0 H ALA A 14 0.745 -11.183 2.772 1.00 0.18 H new ATOM 0 HA ALA A 14 -1.489 -10.251 4.284 1.00 0.18 H new ATOM 0 HB1 ALA A 14 -0.960 -8.088 3.191 1.00 0.20 H new ATOM 0 HB2 ALA A 14 0.524 -8.907 3.733 1.00 0.20 H new ATOM 0 HB3 ALA A 14 0.070 -8.934 2.013 1.00 0.20 H new ATOM 228 N LEU A 15 -2.003 -10.599 1.037 1.00 0.17 N ATOM 229 CA LEU A 15 -3.092 -10.683 0.015 1.00 0.18 C ATOM 230 C LEU A 15 -4.051 -11.820 0.371 1.00 0.18 C ATOM 231 O LEU A 15 -5.255 -11.657 0.354 1.00 0.18 O ATOM 232 CB LEU A 15 -2.475 -10.945 -1.364 1.00 0.19 C ATOM 233 CG LEU A 15 -1.247 -10.051 -1.564 1.00 0.24 C ATOM 234 CD1 LEU A 15 -0.686 -10.271 -2.970 1.00 0.18 C ATOM 235 CD2 LEU A 15 -1.645 -8.580 -1.400 1.00 0.62 C ATOM 0 H LEU A 15 -1.066 -10.791 0.683 1.00 0.17 H new ATOM 0 HA LEU A 15 -3.643 -9.743 -0.003 1.00 0.18 H new ATOM 0 HB2 LEU A 15 -2.190 -11.994 -1.451 1.00 0.19 H new ATOM 0 HB3 LEU A 15 -3.210 -10.748 -2.144 1.00 0.19 H new ATOM 0 HG LEU A 15 -0.490 -10.304 -0.821 1.00 0.24 H new ATOM 0 HD11 LEU A 15 0.188 -9.636 -3.116 1.00 0.18 H new ATOM 0 HD12 LEU A 15 -0.400 -11.316 -3.088 1.00 0.18 H new ATOM 0 HD13 LEU A 15 -1.446 -10.017 -3.709 1.00 0.18 H new ATOM 0 HD21 LEU A 15 -0.769 -7.948 -1.543 1.00 0.62 H new ATOM 0 HD22 LEU A 15 -2.402 -8.323 -2.141 1.00 0.62 H new ATOM 0 HD23 LEU A 15 -2.047 -8.421 -0.400 1.00 0.62 H new ATOM 247 N ASP A 16 -3.534 -12.974 0.690 1.00 0.19 N ATOM 248 CA ASP A 16 -4.427 -14.114 1.041 1.00 0.21 C ATOM 249 C ASP A 16 -5.214 -13.774 2.309 1.00 0.20 C ATOM 250 O ASP A 16 -6.369 -14.123 2.446 1.00 0.20 O ATOM 251 CB ASP A 16 -3.583 -15.368 1.280 1.00 0.24 C ATOM 252 CG ASP A 16 -4.500 -16.589 1.373 1.00 0.28 C ATOM 253 OD1 ASP A 16 -5.466 -16.524 2.115 1.00 1.07 O ATOM 254 OD2 ASP A 16 -4.219 -17.568 0.702 1.00 1.09 O ATOM 0 H ASP A 16 -2.535 -13.177 0.723 1.00 0.19 H new ATOM 0 HA ASP A 16 -5.123 -14.297 0.222 1.00 0.21 H new ATOM 0 HB2 ASP A 16 -2.867 -15.498 0.468 1.00 0.24 H new ATOM 0 HB3 ASP A 16 -3.007 -15.262 2.199 1.00 0.24 H new ATOM 259 N ALA A 17 -4.597 -13.095 3.239 1.00 0.22 N ATOM 260 CA ALA A 17 -5.309 -12.733 4.498 1.00 0.24 C ATOM 261 C ALA A 17 -6.202 -11.512 4.257 1.00 0.21 C ATOM 262 O ALA A 17 -7.089 -11.219 5.033 1.00 0.22 O ATOM 263 CB ALA A 17 -4.282 -12.401 5.582 1.00 0.30 C ATOM 0 H ALA A 17 -3.630 -12.775 3.181 1.00 0.22 H new ATOM 0 HA ALA A 17 -5.925 -13.573 4.817 1.00 0.24 H new ATOM 0 HB1 ALA A 17 -4.799 -12.136 6.504 1.00 0.30 H new ATOM 0 HB2 ALA A 17 -3.646 -13.269 5.759 1.00 0.30 H new ATOM 0 HB3 ALA A 17 -3.668 -11.562 5.256 1.00 0.30 H new ATOM 269 N ALA A 18 -5.972 -10.795 3.190 1.00 0.21 N ATOM 270 CA ALA A 18 -6.808 -9.591 2.908 1.00 0.22 C ATOM 271 C ALA A 18 -8.231 -10.022 2.545 1.00 0.21 C ATOM 272 O ALA A 18 -9.128 -9.208 2.450 1.00 0.24 O ATOM 273 CB ALA A 18 -6.199 -8.808 1.743 1.00 0.23 C ATOM 0 H ALA A 18 -5.244 -10.990 2.503 1.00 0.21 H new ATOM 0 HA ALA A 18 -6.839 -8.959 3.796 1.00 0.22 H new ATOM 0 HB1 ALA A 18 -6.809 -7.929 1.537 1.00 0.23 H new ATOM 0 HB2 ALA A 18 -5.188 -8.495 2.004 1.00 0.23 H new ATOM 0 HB3 ALA A 18 -6.165 -9.442 0.857 1.00 0.23 H new ATOM 279 N GLY A 19 -8.446 -11.292 2.341 1.00 0.22 N ATOM 280 CA GLY A 19 -9.813 -11.765 1.984 1.00 0.24 C ATOM 281 C GLY A 19 -10.128 -11.382 0.536 1.00 0.20 C ATOM 282 O GLY A 19 -9.564 -11.924 -0.394 1.00 0.28 O ATOM 0 H GLY A 19 -7.736 -12.021 2.406 1.00 0.22 H new ATOM 0 HA2 GLY A 19 -9.878 -12.846 2.107 1.00 0.24 H new ATOM 0 HA3 GLY A 19 -10.549 -11.323 2.656 1.00 0.24 H new ATOM 286 N ASP A 20 -11.028 -10.450 0.339 1.00 0.13 N ATOM 287 CA ASP A 20 -11.393 -10.023 -1.048 1.00 0.18 C ATOM 288 C ASP A 20 -11.539 -8.499 -1.095 1.00 0.15 C ATOM 289 O ASP A 20 -11.859 -7.932 -2.121 1.00 0.22 O ATOM 290 CB ASP A 20 -12.723 -10.677 -1.442 1.00 0.26 C ATOM 291 CG ASP A 20 -13.178 -10.148 -2.803 1.00 1.43 C ATOM 292 OD1 ASP A 20 -12.366 -10.134 -3.714 1.00 2.21 O ATOM 293 OD2 ASP A 20 -14.332 -9.767 -2.913 1.00 2.19 O ATOM 0 H ASP A 20 -11.528 -9.964 1.083 1.00 0.13 H new ATOM 0 HA ASP A 20 -10.612 -10.331 -1.743 1.00 0.18 H new ATOM 0 HB2 ASP A 20 -12.608 -11.760 -1.483 1.00 0.26 H new ATOM 0 HB3 ASP A 20 -13.481 -10.465 -0.687 1.00 0.26 H new ATOM 298 N LYS A 21 -11.300 -7.827 0.000 1.00 0.12 N ATOM 299 CA LYS A 21 -11.421 -6.343 -0.004 1.00 0.19 C ATOM 300 C LYS A 21 -10.290 -5.757 -0.845 1.00 0.15 C ATOM 301 O LYS A 21 -9.355 -6.443 -1.206 1.00 0.15 O ATOM 302 CB LYS A 21 -11.326 -5.822 1.433 1.00 0.27 C ATOM 303 CG LYS A 21 -12.670 -6.015 2.138 1.00 0.29 C ATOM 304 CD LYS A 21 -12.486 -5.843 3.644 1.00 0.30 C ATOM 305 CE LYS A 21 -13.854 -5.729 4.312 1.00 1.12 C ATOM 306 NZ LYS A 21 -13.688 -5.726 5.794 1.00 1.90 N ATOM 0 H LYS A 21 -11.028 -8.240 0.892 1.00 0.12 H new ATOM 0 HA LYS A 21 -12.381 -6.047 -0.427 1.00 0.19 H new ATOM 0 HB2 LYS A 21 -10.541 -6.353 1.972 1.00 0.27 H new ATOM 0 HB3 LYS A 21 -11.053 -4.767 1.431 1.00 0.27 H new ATOM 0 HG2 LYS A 21 -13.395 -5.292 1.765 1.00 0.29 H new ATOM 0 HG3 LYS A 21 -13.067 -7.006 1.921 1.00 0.29 H new ATOM 0 HD2 LYS A 21 -11.938 -6.692 4.054 1.00 0.30 H new ATOM 0 HD3 LYS A 21 -11.893 -4.952 3.850 1.00 0.30 H new ATOM 0 HE2 LYS A 21 -14.352 -4.815 3.990 1.00 1.12 H new ATOM 0 HE3 LYS A 21 -14.489 -6.562 4.009 1.00 1.12 H new ATOM 0 HZ1 LYS A 21 -14.621 -5.648 6.248 1.00 1.90 H new ATOM 0 HZ2 LYS A 21 -13.230 -6.610 6.094 1.00 1.90 H new ATOM 0 HZ3 LYS A 21 -13.098 -4.917 6.076 1.00 1.90 H new ATOM 320 N LEU A 22 -10.365 -4.497 -1.165 1.00 0.13 N ATOM 321 CA LEU A 22 -9.289 -3.890 -1.987 1.00 0.11 C ATOM 322 C LEU A 22 -7.971 -3.966 -1.201 1.00 0.10 C ATOM 323 O LEU A 22 -7.970 -4.175 -0.004 1.00 0.11 O ATOM 324 CB LEU A 22 -9.656 -2.422 -2.299 1.00 0.12 C ATOM 325 CG LEU A 22 -9.374 -2.063 -3.773 1.00 0.13 C ATOM 326 CD1 LEU A 22 -9.662 -0.564 -3.997 1.00 0.17 C ATOM 327 CD2 LEU A 22 -7.908 -2.365 -4.129 1.00 0.11 C ATOM 0 H LEU A 22 -11.120 -3.866 -0.894 1.00 0.13 H new ATOM 0 HA LEU A 22 -9.175 -4.426 -2.929 1.00 0.11 H new ATOM 0 HB2 LEU A 22 -10.711 -2.256 -2.080 1.00 0.12 H new ATOM 0 HB3 LEU A 22 -9.087 -1.759 -1.648 1.00 0.12 H new ATOM 0 HG LEU A 22 -10.020 -2.664 -4.413 1.00 0.13 H new ATOM 0 HD11 LEU A 22 -9.464 -0.307 -5.038 1.00 0.17 H new ATOM 0 HD12 LEU A 22 -10.706 -0.355 -3.764 1.00 0.17 H new ATOM 0 HD13 LEU A 22 -9.020 0.031 -3.348 1.00 0.17 H new ATOM 0 HD21 LEU A 22 -7.726 -2.106 -5.172 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -7.250 -1.777 -3.489 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -7.708 -3.426 -3.978 1.00 0.11 H new ATOM 339 N VAL A 23 -6.852 -3.800 -1.857 1.00 0.08 N ATOM 340 CA VAL A 23 -5.542 -3.866 -1.146 1.00 0.09 C ATOM 341 C VAL A 23 -4.564 -2.877 -1.784 1.00 0.08 C ATOM 342 O VAL A 23 -4.019 -3.128 -2.841 1.00 0.09 O ATOM 343 CB VAL A 23 -4.972 -5.284 -1.260 1.00 0.10 C ATOM 344 CG1 VAL A 23 -3.817 -5.454 -0.272 1.00 0.12 C ATOM 345 CG2 VAL A 23 -6.069 -6.304 -0.939 1.00 0.10 C ATOM 0 H VAL A 23 -6.790 -3.621 -2.859 1.00 0.08 H new ATOM 0 HA VAL A 23 -5.686 -3.611 -0.096 1.00 0.09 H new ATOM 0 HB VAL A 23 -4.609 -5.446 -2.275 1.00 0.10 H new ATOM 0 HG11 VAL A 23 -3.413 -6.463 -0.355 1.00 0.12 H new ATOM 0 HG12 VAL A 23 -3.034 -4.730 -0.499 1.00 0.12 H new ATOM 0 HG13 VAL A 23 -4.179 -5.290 0.743 1.00 0.12 H new ATOM 0 HG21 VAL A 23 -5.663 -7.312 -1.020 1.00 0.10 H new ATOM 0 HG22 VAL A 23 -6.433 -6.140 0.075 1.00 0.10 H new ATOM 0 HG23 VAL A 23 -6.892 -6.186 -1.643 1.00 0.10 H new ATOM 355 N VAL A 24 -4.326 -1.759 -1.141 1.00 0.08 N ATOM 356 CA VAL A 24 -3.368 -0.752 -1.695 1.00 0.08 C ATOM 357 C VAL A 24 -2.047 -0.875 -0.937 1.00 0.08 C ATOM 358 O VAL A 24 -2.021 -0.971 0.274 1.00 0.08 O ATOM 359 CB VAL A 24 -3.941 0.657 -1.525 1.00 0.08 C ATOM 360 CG1 VAL A 24 -3.167 1.639 -2.408 1.00 0.09 C ATOM 361 CG2 VAL A 24 -5.416 0.662 -1.931 1.00 0.09 C ATOM 0 H VAL A 24 -4.756 -1.500 -0.253 1.00 0.08 H new ATOM 0 HA VAL A 24 -3.205 -0.934 -2.757 1.00 0.08 H new ATOM 0 HB VAL A 24 -3.849 0.959 -0.482 1.00 0.08 H new ATOM 0 HG11 VAL A 24 -3.578 2.641 -2.284 1.00 0.09 H new ATOM 0 HG12 VAL A 24 -2.116 1.639 -2.118 1.00 0.09 H new ATOM 0 HG13 VAL A 24 -3.255 1.337 -3.452 1.00 0.09 H new ATOM 0 HG21 VAL A 24 -5.823 1.666 -1.810 1.00 0.09 H new ATOM 0 HG22 VAL A 24 -5.507 0.357 -2.973 1.00 0.09 H new ATOM 0 HG23 VAL A 24 -5.970 -0.033 -1.300 1.00 0.09 H new ATOM 371 N VAL A 25 -0.951 -0.893 -1.649 1.00 0.09 N ATOM 372 CA VAL A 25 0.388 -1.036 -0.998 1.00 0.09 C ATOM 373 C VAL A 25 1.157 0.275 -1.113 1.00 0.10 C ATOM 374 O VAL A 25 1.210 0.885 -2.160 1.00 0.17 O ATOM 375 CB VAL A 25 1.177 -2.136 -1.715 1.00 0.10 C ATOM 376 CG1 VAL A 25 2.343 -2.600 -0.837 1.00 0.12 C ATOM 377 CG2 VAL A 25 0.251 -3.319 -2.000 1.00 0.09 C ATOM 0 H VAL A 25 -0.925 -0.814 -2.666 1.00 0.09 H new ATOM 0 HA VAL A 25 0.254 -1.291 0.053 1.00 0.09 H new ATOM 0 HB VAL A 25 1.571 -1.743 -2.652 1.00 0.10 H new ATOM 0 HG11 VAL A 25 2.899 -3.382 -1.354 1.00 0.12 H new ATOM 0 HG12 VAL A 25 3.004 -1.757 -0.635 1.00 0.12 H new ATOM 0 HG13 VAL A 25 1.957 -2.991 0.104 1.00 0.12 H new ATOM 0 HG21 VAL A 25 0.810 -4.104 -2.510 1.00 0.09 H new ATOM 0 HG22 VAL A 25 -0.144 -3.707 -1.061 1.00 0.09 H new ATOM 0 HG23 VAL A 25 -0.574 -2.991 -2.632 1.00 0.09 H new ATOM 387 N ASP A 26 1.767 0.700 -0.041 1.00 0.08 N ATOM 388 CA ASP A 26 2.559 1.963 -0.065 1.00 0.08 C ATOM 389 C ASP A 26 4.049 1.616 -0.047 1.00 0.08 C ATOM 390 O ASP A 26 4.606 1.282 0.979 1.00 0.09 O ATOM 391 CB ASP A 26 2.212 2.798 1.173 1.00 0.09 C ATOM 392 CG ASP A 26 3.135 4.016 1.246 1.00 0.09 C ATOM 393 OD1 ASP A 26 3.403 4.596 0.207 1.00 0.96 O ATOM 394 OD2 ASP A 26 3.558 4.349 2.341 1.00 0.93 O ATOM 0 H ASP A 26 1.751 0.222 0.860 1.00 0.08 H new ATOM 0 HA ASP A 26 2.326 2.533 -0.965 1.00 0.08 H new ATOM 0 HB2 ASP A 26 1.172 3.120 1.127 1.00 0.09 H new ATOM 0 HB3 ASP A 26 2.319 2.193 2.074 1.00 0.09 H new ATOM 399 N PHE A 27 4.705 1.703 -1.174 1.00 0.08 N ATOM 400 CA PHE A 27 6.161 1.393 -1.214 1.00 0.09 C ATOM 401 C PHE A 27 6.914 2.665 -0.839 1.00 0.11 C ATOM 402 O PHE A 27 7.403 3.383 -1.692 1.00 0.13 O ATOM 403 CB PHE A 27 6.553 0.977 -2.635 1.00 0.10 C ATOM 404 CG PHE A 27 6.188 -0.471 -2.888 1.00 0.11 C ATOM 405 CD1 PHE A 27 4.873 -0.820 -3.256 1.00 0.19 C ATOM 406 CD2 PHE A 27 7.172 -1.470 -2.775 1.00 0.16 C ATOM 407 CE1 PHE A 27 4.545 -2.167 -3.506 1.00 0.24 C ATOM 408 CE2 PHE A 27 6.845 -2.815 -3.028 1.00 0.21 C ATOM 409 CZ PHE A 27 5.532 -3.164 -3.393 1.00 0.23 C ATOM 0 H PHE A 27 4.294 1.975 -2.067 1.00 0.08 H new ATOM 0 HA PHE A 27 6.401 0.583 -0.525 1.00 0.09 H new ATOM 0 HB2 PHE A 27 6.048 1.616 -3.359 1.00 0.10 H new ATOM 0 HB3 PHE A 27 7.624 1.118 -2.778 1.00 0.10 H new ATOM 0 HD1 PHE A 27 4.117 -0.054 -3.346 1.00 0.19 H new ATOM 0 HD2 PHE A 27 8.180 -1.204 -2.494 1.00 0.16 H new ATOM 0 HE1 PHE A 27 3.536 -2.435 -3.784 1.00 0.24 H new ATOM 0 HE2 PHE A 27 7.603 -3.580 -2.942 1.00 0.21 H new ATOM 0 HZ PHE A 27 5.281 -4.197 -3.586 1.00 0.23 H new ATOM 419 N SER A 28 6.989 2.956 0.436 1.00 0.11 N ATOM 420 CA SER A 28 7.689 4.190 0.905 1.00 0.12 C ATOM 421 C SER A 28 8.939 3.809 1.691 1.00 0.10 C ATOM 422 O SER A 28 8.991 2.783 2.340 1.00 0.11 O ATOM 423 CB SER A 28 6.750 4.980 1.816 1.00 0.17 C ATOM 424 OG SER A 28 5.685 5.516 1.043 1.00 1.03 O ATOM 0 H SER A 28 6.590 2.384 1.180 1.00 0.11 H new ATOM 0 HA SER A 28 7.973 4.794 0.043 1.00 0.12 H new ATOM 0 HB2 SER A 28 6.356 4.333 2.600 1.00 0.17 H new ATOM 0 HB3 SER A 28 7.296 5.784 2.311 1.00 0.17 H new ATOM 0 HG SER A 28 5.089 6.035 1.623 1.00 1.03 H new ATOM 430 N ALA A 29 9.947 4.639 1.651 1.00 0.10 N ATOM 431 CA ALA A 29 11.196 4.345 2.408 1.00 0.15 C ATOM 432 C ALA A 29 11.103 5.011 3.787 1.00 0.18 C ATOM 433 O ALA A 29 10.778 6.176 3.904 1.00 0.26 O ATOM 434 CB ALA A 29 12.397 4.892 1.623 1.00 0.19 C ATOM 0 H ALA A 29 9.958 5.512 1.124 1.00 0.10 H new ATOM 0 HA ALA A 29 11.323 3.270 2.539 1.00 0.15 H new ATOM 0 HB1 ALA A 29 13.316 4.681 2.170 1.00 0.19 H new ATOM 0 HB2 ALA A 29 12.440 4.415 0.644 1.00 0.19 H new ATOM 0 HB3 ALA A 29 12.289 5.969 1.497 1.00 0.19 H new ATOM 440 N THR A 30 11.373 4.274 4.829 1.00 0.18 N ATOM 441 CA THR A 30 11.285 4.852 6.202 1.00 0.23 C ATOM 442 C THR A 30 12.365 5.918 6.406 1.00 0.26 C ATOM 443 O THR A 30 12.204 6.830 7.192 1.00 0.31 O ATOM 444 CB THR A 30 11.473 3.737 7.233 1.00 0.26 C ATOM 445 OG1 THR A 30 11.353 4.280 8.540 1.00 0.32 O ATOM 446 CG2 THR A 30 12.858 3.109 7.063 1.00 0.28 C ATOM 0 H THR A 30 11.652 3.294 4.790 1.00 0.18 H new ATOM 0 HA THR A 30 10.306 5.315 6.327 1.00 0.23 H new ATOM 0 HB THR A 30 10.711 2.972 7.085 1.00 0.26 H new ATOM 0 HG1 THR A 30 11.471 3.568 9.202 1.00 0.32 H new ATOM 0 HG21 THR A 30 12.990 2.315 7.798 1.00 0.28 H new ATOM 0 HG22 THR A 30 12.948 2.693 6.060 1.00 0.28 H new ATOM 0 HG23 THR A 30 13.624 3.871 7.210 1.00 0.28 H new ATOM 454 N TRP A 31 13.473 5.808 5.721 1.00 0.26 N ATOM 455 CA TRP A 31 14.565 6.813 5.899 1.00 0.32 C ATOM 456 C TRP A 31 14.354 7.994 4.953 1.00 0.32 C ATOM 457 O TRP A 31 14.991 9.020 5.078 1.00 0.36 O ATOM 458 CB TRP A 31 15.912 6.155 5.590 1.00 0.34 C ATOM 459 CG TRP A 31 15.974 5.766 4.149 1.00 0.30 C ATOM 460 CD1 TRP A 31 15.671 4.540 3.662 1.00 0.26 C ATOM 461 CD2 TRP A 31 16.360 6.578 3.005 1.00 0.33 C ATOM 462 NE1 TRP A 31 15.859 4.544 2.291 1.00 0.25 N ATOM 463 CE2 TRP A 31 16.276 5.778 1.835 1.00 0.29 C ATOM 464 CE3 TRP A 31 16.775 7.921 2.867 1.00 0.40 C ATOM 465 CZ2 TRP A 31 16.591 6.293 0.569 1.00 0.32 C ATOM 466 CZ3 TRP A 31 17.090 8.444 1.597 1.00 0.44 C ATOM 467 CH2 TRP A 31 16.998 7.631 0.450 1.00 0.40 C ATOM 0 H TRP A 31 13.670 5.068 5.047 1.00 0.26 H new ATOM 0 HA TRP A 31 14.553 7.173 6.928 1.00 0.32 H new ATOM 0 HB2 TRP A 31 16.724 6.843 5.824 1.00 0.34 H new ATOM 0 HB3 TRP A 31 16.049 5.275 6.219 1.00 0.34 H new ATOM 0 HD1 TRP A 31 15.337 3.696 4.248 1.00 0.26 H new ATOM 0 HE1 TRP A 31 15.708 3.733 1.691 1.00 0.25 H new ATOM 0 HE3 TRP A 31 16.851 8.551 3.741 1.00 0.40 H new ATOM 0 HZ2 TRP A 31 16.521 5.665 -0.307 1.00 0.32 H new ATOM 0 HZ3 TRP A 31 17.404 9.473 1.502 1.00 0.44 H new ATOM 0 HH2 TRP A 31 17.241 8.037 -0.521 1.00 0.40 H new ATOM 478 N CYS A 32 13.474 7.854 4.002 1.00 0.28 N ATOM 479 CA CYS A 32 13.233 8.961 3.032 1.00 0.30 C ATOM 480 C CYS A 32 12.052 9.812 3.506 1.00 0.31 C ATOM 481 O CYS A 32 10.982 9.315 3.799 1.00 0.29 O ATOM 482 CB CYS A 32 12.944 8.345 1.662 1.00 0.28 C ATOM 483 SG CYS A 32 13.394 9.514 0.355 1.00 0.32 S ATOM 0 H CYS A 32 12.909 7.018 3.853 1.00 0.28 H new ATOM 0 HA CYS A 32 14.108 9.607 2.961 1.00 0.30 H new ATOM 0 HB2 CYS A 32 13.507 7.419 1.544 1.00 0.28 H new ATOM 0 HB3 CYS A 32 11.888 8.088 1.584 1.00 0.28 H new ATOM 488 N GLY A 33 12.257 11.095 3.595 1.00 0.34 N ATOM 489 CA GLY A 33 11.179 12.008 4.059 1.00 0.36 C ATOM 490 C GLY A 33 10.051 12.126 3.021 1.00 0.35 C ATOM 491 O GLY A 33 8.913 11.893 3.352 1.00 0.33 O ATOM 0 H GLY A 33 13.137 11.555 3.363 1.00 0.34 H new ATOM 0 HA2 GLY A 33 10.771 11.641 5.001 1.00 0.36 H new ATOM 0 HA3 GLY A 33 11.597 12.995 4.256 1.00 0.36 H new ATOM 495 N PRO A 34 10.384 12.517 1.806 1.00 0.37 N ATOM 496 CA PRO A 34 9.372 12.716 0.743 1.00 0.38 C ATOM 497 C PRO A 34 8.384 11.546 0.673 1.00 0.35 C ATOM 498 O PRO A 34 7.208 11.738 0.433 1.00 0.36 O ATOM 499 CB PRO A 34 10.197 12.852 -0.555 1.00 0.42 C ATOM 500 CG PRO A 34 11.673 13.096 -0.128 1.00 0.44 C ATOM 501 CD PRO A 34 11.776 12.770 1.379 1.00 0.40 C ATOM 0 HA PRO A 34 8.751 13.593 0.926 1.00 0.38 H new ATOM 0 HB2 PRO A 34 10.114 11.950 -1.161 1.00 0.42 H new ATOM 0 HB3 PRO A 34 9.829 13.679 -1.162 1.00 0.42 H new ATOM 0 HG2 PRO A 34 12.349 12.465 -0.705 1.00 0.44 H new ATOM 0 HG3 PRO A 34 11.962 14.130 -0.318 1.00 0.44 H new ATOM 0 HD2 PRO A 34 12.408 11.899 1.553 1.00 0.40 H new ATOM 0 HD3 PRO A 34 12.216 13.599 1.934 1.00 0.40 H new ATOM 509 N ALA A 35 8.834 10.345 0.881 1.00 0.33 N ATOM 510 CA ALA A 35 7.893 9.195 0.822 1.00 0.32 C ATOM 511 C ALA A 35 7.069 9.160 2.112 1.00 0.39 C ATOM 512 O ALA A 35 5.857 9.235 2.091 1.00 0.81 O ATOM 513 CB ALA A 35 8.686 7.897 0.679 1.00 0.36 C ATOM 0 H ALA A 35 9.804 10.109 1.088 1.00 0.33 H new ATOM 0 HA ALA A 35 7.227 9.303 -0.034 1.00 0.32 H new ATOM 0 HB1 ALA A 35 7.998 7.053 0.636 1.00 0.36 H new ATOM 0 HB2 ALA A 35 9.277 7.931 -0.236 1.00 0.36 H new ATOM 0 HB3 ALA A 35 9.350 7.780 1.535 1.00 0.36 H new ATOM 519 N LYS A 36 7.725 9.055 3.232 1.00 0.30 N ATOM 520 CA LYS A 36 7.001 9.025 4.535 1.00 0.28 C ATOM 521 C LYS A 36 6.205 10.322 4.721 1.00 0.24 C ATOM 522 O LYS A 36 5.273 10.381 5.498 1.00 0.25 O ATOM 523 CB LYS A 36 8.028 8.886 5.662 1.00 0.35 C ATOM 524 CG LYS A 36 7.317 8.843 7.018 1.00 0.38 C ATOM 525 CD LYS A 36 8.301 8.369 8.092 1.00 0.49 C ATOM 526 CE LYS A 36 7.684 8.558 9.478 1.00 1.22 C ATOM 527 NZ LYS A 36 8.612 8.017 10.513 1.00 1.92 N ATOM 0 H LYS A 36 8.740 8.988 3.303 1.00 0.30 H new ATOM 0 HA LYS A 36 6.309 8.183 4.553 1.00 0.28 H new ATOM 0 HB2 LYS A 36 8.614 7.978 5.521 1.00 0.35 H new ATOM 0 HB3 LYS A 36 8.726 9.723 5.634 1.00 0.35 H new ATOM 0 HG2 LYS A 36 6.933 9.831 7.271 1.00 0.38 H new ATOM 0 HG3 LYS A 36 6.461 8.170 6.971 1.00 0.38 H new ATOM 0 HD2 LYS A 36 8.548 7.319 7.934 1.00 0.49 H new ATOM 0 HD3 LYS A 36 9.232 8.931 8.019 1.00 0.49 H new ATOM 0 HE2 LYS A 36 7.493 9.615 9.662 1.00 1.22 H new ATOM 0 HE3 LYS A 36 6.723 8.047 9.533 1.00 1.22 H new ATOM 0 HZ1 LYS A 36 8.193 8.145 11.456 1.00 1.92 H new ATOM 0 HZ2 LYS A 36 8.772 7.004 10.340 1.00 1.92 H new ATOM 0 HZ3 LYS A 36 9.519 8.524 10.465 1.00 1.92 H new ATOM 541 N MET A 37 6.573 11.362 4.024 1.00 0.23 N ATOM 542 CA MET A 37 5.847 12.658 4.168 1.00 0.24 C ATOM 543 C MET A 37 4.376 12.473 3.796 1.00 0.20 C ATOM 544 O MET A 37 3.529 13.260 4.170 1.00 0.20 O ATOM 545 CB MET A 37 6.480 13.710 3.244 1.00 0.29 C ATOM 546 CG MET A 37 5.981 15.107 3.620 1.00 1.31 C ATOM 547 SD MET A 37 6.724 15.609 5.192 1.00 2.12 S ATOM 548 CE MET A 37 5.995 17.262 5.273 1.00 3.13 C ATOM 0 H MET A 37 7.347 11.371 3.359 1.00 0.23 H new ATOM 0 HA MET A 37 5.917 12.993 5.203 1.00 0.24 H new ATOM 0 HB2 MET A 37 7.566 13.669 3.324 1.00 0.29 H new ATOM 0 HB3 MET A 37 6.228 13.492 2.206 1.00 0.29 H new ATOM 0 HG2 MET A 37 6.241 15.821 2.838 1.00 1.31 H new ATOM 0 HG3 MET A 37 4.894 15.107 3.703 1.00 1.31 H new ATOM 0 HE1 MET A 37 6.327 17.762 6.183 1.00 3.13 H new ATOM 0 HE2 MET A 37 6.310 17.842 4.405 1.00 3.13 H new ATOM 0 HE3 MET A 37 4.908 17.180 5.279 1.00 3.13 H new ATOM 558 N ILE A 38 4.063 11.446 3.045 1.00 0.18 N ATOM 559 CA ILE A 38 2.644 11.225 2.624 1.00 0.15 C ATOM 560 C ILE A 38 1.969 10.208 3.545 1.00 0.16 C ATOM 561 O ILE A 38 0.845 9.806 3.319 1.00 0.16 O ATOM 562 CB ILE A 38 2.623 10.698 1.184 1.00 0.16 C ATOM 563 CG1 ILE A 38 3.719 11.411 0.384 1.00 0.17 C ATOM 564 CG2 ILE A 38 1.248 10.975 0.544 1.00 0.17 C ATOM 565 CD1 ILE A 38 3.579 11.087 -1.109 1.00 0.28 C ATOM 0 H ILE A 38 4.728 10.751 2.705 1.00 0.18 H new ATOM 0 HA ILE A 38 2.103 12.169 2.685 1.00 0.15 H new ATOM 0 HB ILE A 38 2.800 9.623 1.182 1.00 0.16 H new ATOM 0 HG12 ILE A 38 3.650 12.488 0.538 1.00 0.17 H new ATOM 0 HG13 ILE A 38 4.701 11.100 0.741 1.00 0.17 H new ATOM 0 HG21 ILE A 38 1.240 10.598 -0.479 1.00 0.17 H new ATOM 0 HG22 ILE A 38 0.471 10.474 1.121 1.00 0.17 H new ATOM 0 HG23 ILE A 38 1.060 12.049 0.536 1.00 0.17 H new ATOM 0 HD11 ILE A 38 4.363 11.599 -1.667 1.00 0.28 H new ATOM 0 HD12 ILE A 38 3.671 10.011 -1.258 1.00 0.28 H new ATOM 0 HD13 ILE A 38 2.604 11.420 -1.464 1.00 0.28 H new ATOM 577 N LYS A 39 2.627 9.783 4.590 1.00 0.19 N ATOM 578 CA LYS A 39 1.972 8.797 5.485 1.00 0.22 C ATOM 579 C LYS A 39 0.726 9.387 6.180 1.00 0.20 C ATOM 580 O LYS A 39 -0.198 8.649 6.436 1.00 0.21 O ATOM 581 CB LYS A 39 2.968 8.203 6.517 1.00 0.31 C ATOM 582 CG LYS A 39 3.195 9.130 7.733 1.00 0.34 C ATOM 583 CD LYS A 39 3.746 8.325 8.921 1.00 0.45 C ATOM 584 CE LYS A 39 2.695 7.340 9.464 1.00 1.16 C ATOM 585 NZ LYS A 39 2.932 5.997 8.863 1.00 1.62 N ATOM 0 H LYS A 39 3.569 10.070 4.856 1.00 0.19 H new ATOM 0 HA LYS A 39 1.631 7.977 4.853 1.00 0.22 H new ATOM 0 HB2 LYS A 39 2.593 7.241 6.865 1.00 0.31 H new ATOM 0 HB3 LYS A 39 3.923 8.014 6.026 1.00 0.31 H new ATOM 0 HG2 LYS A 39 3.893 9.924 7.468 1.00 0.34 H new ATOM 0 HG3 LYS A 39 2.257 9.610 8.013 1.00 0.34 H new ATOM 0 HD2 LYS A 39 4.635 7.777 8.610 1.00 0.45 H new ATOM 0 HD3 LYS A 39 4.053 9.007 9.714 1.00 0.45 H new ATOM 0 HE2 LYS A 39 2.759 7.283 10.551 1.00 1.16 H new ATOM 0 HE3 LYS A 39 1.691 7.689 9.222 1.00 1.16 H new ATOM 0 HZ1 LYS A 39 2.061 5.664 8.402 1.00 1.62 H new ATOM 0 HZ2 LYS A 39 3.694 6.062 8.158 1.00 1.62 H new ATOM 0 HZ3 LYS A 39 3.206 5.326 9.609 1.00 1.62 H new ATOM 599 N PRO A 40 0.693 10.675 6.505 1.00 0.20 N ATOM 600 CA PRO A 40 -0.483 11.215 7.206 1.00 0.21 C ATOM 601 C PRO A 40 -1.731 11.042 6.336 1.00 0.17 C ATOM 602 O PRO A 40 -2.833 11.324 6.757 1.00 0.20 O ATOM 603 CB PRO A 40 -0.159 12.699 7.466 1.00 0.24 C ATOM 604 CG PRO A 40 1.289 12.954 6.964 1.00 0.25 C ATOM 605 CD PRO A 40 1.743 11.687 6.211 1.00 0.21 C ATOM 0 HA PRO A 40 -0.691 10.698 8.143 1.00 0.21 H new ATOM 0 HB2 PRO A 40 -0.866 13.343 6.943 1.00 0.24 H new ATOM 0 HB3 PRO A 40 -0.243 12.930 8.528 1.00 0.24 H new ATOM 0 HG2 PRO A 40 1.321 13.823 6.307 1.00 0.25 H new ATOM 0 HG3 PRO A 40 1.955 13.163 7.801 1.00 0.25 H new ATOM 0 HD2 PRO A 40 1.826 11.872 5.140 1.00 0.21 H new ATOM 0 HD3 PRO A 40 2.722 11.352 6.554 1.00 0.21 H new ATOM 613 N PHE A 41 -1.555 10.573 5.129 1.00 0.14 N ATOM 614 CA PHE A 41 -2.714 10.358 4.212 1.00 0.14 C ATOM 615 C PHE A 41 -2.921 8.855 4.023 1.00 0.11 C ATOM 616 O PHE A 41 -3.861 8.283 4.527 1.00 0.13 O ATOM 617 CB PHE A 41 -2.412 11.005 2.856 1.00 0.15 C ATOM 618 CG PHE A 41 -2.670 12.490 2.932 1.00 0.19 C ATOM 619 CD1 PHE A 41 -1.659 13.357 3.381 1.00 0.19 C ATOM 620 CD2 PHE A 41 -3.923 13.002 2.550 1.00 0.26 C ATOM 621 CE1 PHE A 41 -1.901 14.742 3.450 1.00 0.23 C ATOM 622 CE2 PHE A 41 -4.167 14.386 2.618 1.00 0.30 C ATOM 623 CZ PHE A 41 -3.156 15.257 3.069 1.00 0.27 C ATOM 0 H PHE A 41 -0.647 10.327 4.735 1.00 0.14 H new ATOM 0 HA PHE A 41 -3.613 10.806 4.635 1.00 0.14 H new ATOM 0 HB2 PHE A 41 -1.375 10.820 2.577 1.00 0.15 H new ATOM 0 HB3 PHE A 41 -3.035 10.557 2.082 1.00 0.15 H new ATOM 0 HD1 PHE A 41 -0.697 12.961 3.673 1.00 0.19 H new ATOM 0 HD2 PHE A 41 -4.697 12.333 2.205 1.00 0.26 H new ATOM 0 HE1 PHE A 41 -1.125 15.410 3.795 1.00 0.23 H new ATOM 0 HE2 PHE A 41 -5.129 14.780 2.325 1.00 0.30 H new ATOM 0 HZ PHE A 41 -3.343 16.319 3.123 1.00 0.27 H new ATOM 633 N PHE A 42 -2.046 8.216 3.298 1.00 0.10 N ATOM 634 CA PHE A 42 -2.186 6.750 3.062 1.00 0.11 C ATOM 635 C PHE A 42 -2.495 6.023 4.375 1.00 0.11 C ATOM 636 O PHE A 42 -3.483 5.326 4.492 1.00 0.12 O ATOM 637 CB PHE A 42 -0.876 6.217 2.472 1.00 0.13 C ATOM 638 CG PHE A 42 -0.938 4.711 2.370 1.00 0.11 C ATOM 639 CD1 PHE A 42 -1.672 4.111 1.333 1.00 0.11 C ATOM 640 CD2 PHE A 42 -0.259 3.909 3.309 1.00 0.11 C ATOM 641 CE1 PHE A 42 -1.729 2.711 1.234 1.00 0.11 C ATOM 642 CE2 PHE A 42 -0.318 2.506 3.208 1.00 0.10 C ATOM 643 CZ PHE A 42 -1.054 1.907 2.171 1.00 0.10 C ATOM 0 H PHE A 42 -1.235 8.648 2.856 1.00 0.10 H new ATOM 0 HA PHE A 42 -3.008 6.573 2.369 1.00 0.11 H new ATOM 0 HB2 PHE A 42 -0.707 6.651 1.487 1.00 0.13 H new ATOM 0 HB3 PHE A 42 -0.036 6.514 3.100 1.00 0.13 H new ATOM 0 HD1 PHE A 42 -2.192 4.726 0.613 1.00 0.11 H new ATOM 0 HD2 PHE A 42 0.306 4.370 4.105 1.00 0.11 H new ATOM 0 HE1 PHE A 42 -2.293 2.250 0.436 1.00 0.11 H new ATOM 0 HE2 PHE A 42 0.202 1.890 3.927 1.00 0.10 H new ATOM 0 HZ PHE A 42 -1.101 0.831 2.093 1.00 0.10 H new ATOM 653 N HIS A 43 -1.655 6.171 5.360 1.00 0.14 N ATOM 654 CA HIS A 43 -1.898 5.480 6.659 1.00 0.16 C ATOM 655 C HIS A 43 -3.166 6.046 7.317 1.00 0.16 C ATOM 656 O HIS A 43 -3.866 5.349 8.024 1.00 0.18 O ATOM 657 CB HIS A 43 -0.658 5.654 7.562 1.00 0.21 C ATOM 658 CG HIS A 43 -1.032 5.582 9.018 1.00 0.27 C ATOM 659 ND1 HIS A 43 -0.914 4.418 9.759 1.00 0.35 N ATOM 660 CD2 HIS A 43 -1.551 6.523 9.871 1.00 0.31 C ATOM 661 CE1 HIS A 43 -1.358 4.684 11.001 1.00 0.41 C ATOM 662 NE2 HIS A 43 -1.759 5.954 11.124 1.00 0.39 N ATOM 0 H HIS A 43 -0.810 6.741 5.323 1.00 0.14 H new ATOM 0 HA HIS A 43 -2.057 4.414 6.499 1.00 0.16 H new ATOM 0 HB2 HIS A 43 0.074 4.879 7.333 1.00 0.21 H new ATOM 0 HB3 HIS A 43 -0.184 6.613 7.352 1.00 0.21 H new ATOM 0 HD2 HIS A 43 -1.765 7.549 9.610 1.00 0.31 H new ATOM 0 HE1 HIS A 43 -1.387 3.960 11.802 1.00 0.41 H new ATOM 0 HE2 HIS A 43 -2.136 6.408 11.956 1.00 0.39 H new ATOM 670 N SER A 44 -3.472 7.294 7.092 1.00 0.20 N ATOM 671 CA SER A 44 -4.700 7.874 7.711 1.00 0.25 C ATOM 672 C SER A 44 -5.942 7.159 7.158 1.00 0.20 C ATOM 673 O SER A 44 -6.871 6.868 7.883 1.00 0.21 O ATOM 674 CB SER A 44 -4.776 9.371 7.398 1.00 0.34 C ATOM 675 OG SER A 44 -4.053 10.092 8.386 1.00 0.97 O ATOM 0 H SER A 44 -2.930 7.934 6.511 1.00 0.20 H new ATOM 0 HA SER A 44 -4.661 7.738 8.792 1.00 0.25 H new ATOM 0 HB2 SER A 44 -4.362 9.570 6.410 1.00 0.34 H new ATOM 0 HB3 SER A 44 -5.815 9.699 7.379 1.00 0.34 H new ATOM 0 HG SER A 44 -3.698 10.917 7.994 1.00 0.97 H new ATOM 681 N LEU A 45 -5.968 6.883 5.880 1.00 0.18 N ATOM 682 CA LEU A 45 -7.158 6.198 5.292 1.00 0.18 C ATOM 683 C LEU A 45 -7.485 4.948 6.112 1.00 0.16 C ATOM 684 O LEU A 45 -8.565 4.400 6.021 1.00 0.23 O ATOM 685 CB LEU A 45 -6.866 5.787 3.842 1.00 0.19 C ATOM 686 CG LEU A 45 -6.487 7.011 2.993 1.00 0.26 C ATOM 687 CD1 LEU A 45 -6.288 6.569 1.540 1.00 0.28 C ATOM 688 CD2 LEU A 45 -7.597 8.075 3.059 1.00 0.50 C ATOM 0 H LEU A 45 -5.221 7.101 5.221 1.00 0.18 H new ATOM 0 HA LEU A 45 -8.005 6.884 5.308 1.00 0.18 H new ATOM 0 HB2 LEU A 45 -6.054 5.060 3.822 1.00 0.19 H new ATOM 0 HB3 LEU A 45 -7.742 5.299 3.414 1.00 0.19 H new ATOM 0 HG LEU A 45 -5.565 7.444 3.382 1.00 0.26 H new ATOM 0 HD11 LEU A 45 -6.019 7.432 0.931 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -5.491 5.827 1.491 1.00 0.28 H new ATOM 0 HD13 LEU A 45 -7.213 6.133 1.163 1.00 0.28 H new ATOM 0 HD21 LEU A 45 -7.313 8.935 2.453 1.00 0.50 H new ATOM 0 HD22 LEU A 45 -8.528 7.654 2.678 1.00 0.50 H new ATOM 0 HD23 LEU A 45 -7.738 8.391 4.093 1.00 0.50 H new ATOM 700 N SER A 46 -6.564 4.494 6.914 1.00 0.20 N ATOM 701 CA SER A 46 -6.831 3.283 7.738 1.00 0.25 C ATOM 702 C SER A 46 -8.079 3.511 8.594 1.00 0.17 C ATOM 703 O SER A 46 -8.839 2.599 8.855 1.00 0.15 O ATOM 704 CB SER A 46 -5.633 3.012 8.649 1.00 0.36 C ATOM 705 OG SER A 46 -4.492 2.720 7.851 1.00 0.51 O ATOM 0 H SER A 46 -5.640 4.908 7.035 1.00 0.20 H new ATOM 0 HA SER A 46 -6.992 2.427 7.082 1.00 0.25 H new ATOM 0 HB2 SER A 46 -5.438 3.879 9.280 1.00 0.36 H new ATOM 0 HB3 SER A 46 -5.849 2.176 9.314 1.00 0.36 H new ATOM 0 HG SER A 46 -3.980 3.542 7.699 1.00 0.51 H new ATOM 711 N GLU A 47 -8.292 4.723 9.044 1.00 0.21 N ATOM 712 CA GLU A 47 -9.485 5.017 9.897 1.00 0.21 C ATOM 713 C GLU A 47 -10.630 5.565 9.039 1.00 0.18 C ATOM 714 O GLU A 47 -11.775 5.565 9.449 1.00 0.18 O ATOM 715 CB GLU A 47 -9.101 6.056 10.956 1.00 0.32 C ATOM 716 CG GLU A 47 -7.721 5.719 11.522 1.00 0.39 C ATOM 717 CD GLU A 47 -7.436 6.607 12.734 1.00 1.24 C ATOM 718 OE1 GLU A 47 -8.103 7.619 12.872 1.00 1.98 O ATOM 719 OE2 GLU A 47 -6.555 6.260 13.503 1.00 2.00 O ATOM 0 H GLU A 47 -7.689 5.524 8.857 1.00 0.21 H new ATOM 0 HA GLU A 47 -9.815 4.097 10.379 1.00 0.21 H new ATOM 0 HB2 GLU A 47 -9.092 7.053 10.516 1.00 0.32 H new ATOM 0 HB3 GLU A 47 -9.841 6.067 11.756 1.00 0.32 H new ATOM 0 HG2 GLU A 47 -7.681 4.669 11.810 1.00 0.39 H new ATOM 0 HG3 GLU A 47 -6.957 5.870 10.760 1.00 0.39 H new ATOM 726 N LYS A 48 -10.340 6.039 7.857 1.00 0.18 N ATOM 727 CA LYS A 48 -11.423 6.592 6.988 1.00 0.17 C ATOM 728 C LYS A 48 -12.014 5.466 6.136 1.00 0.15 C ATOM 729 O LYS A 48 -13.125 5.558 5.654 1.00 0.18 O ATOM 730 CB LYS A 48 -10.838 7.678 6.074 1.00 0.21 C ATOM 731 CG LYS A 48 -11.965 8.554 5.519 1.00 0.26 C ATOM 732 CD LYS A 48 -11.373 9.619 4.593 1.00 1.09 C ATOM 733 CE LYS A 48 -12.500 10.483 4.021 1.00 1.51 C ATOM 734 NZ LYS A 48 -11.922 11.522 3.123 1.00 2.16 N ATOM 0 H LYS A 48 -9.403 6.068 7.455 1.00 0.18 H new ATOM 0 HA LYS A 48 -12.207 7.026 7.609 1.00 0.17 H new ATOM 0 HB2 LYS A 48 -10.129 8.291 6.631 1.00 0.21 H new ATOM 0 HB3 LYS A 48 -10.286 7.218 5.254 1.00 0.21 H new ATOM 0 HG2 LYS A 48 -12.682 7.941 4.974 1.00 0.26 H new ATOM 0 HG3 LYS A 48 -12.508 9.028 6.337 1.00 0.26 H new ATOM 0 HD2 LYS A 48 -10.666 10.241 5.142 1.00 1.09 H new ATOM 0 HD3 LYS A 48 -10.818 9.144 3.784 1.00 1.09 H new ATOM 0 HE2 LYS A 48 -13.205 9.861 3.469 1.00 1.51 H new ATOM 0 HE3 LYS A 48 -13.057 10.955 4.830 1.00 1.51 H new ATOM 0 HZ1 LYS A 48 -12.687 12.109 2.734 1.00 2.16 H new ATOM 0 HZ2 LYS A 48 -11.266 12.121 3.663 1.00 2.16 H new ATOM 0 HZ3 LYS A 48 -11.409 11.061 2.344 1.00 2.16 H new ATOM 748 N TYR A 49 -11.274 4.401 5.951 1.00 0.13 N ATOM 749 CA TYR A 49 -11.778 3.253 5.134 1.00 0.13 C ATOM 750 C TYR A 49 -11.440 1.940 5.844 1.00 0.11 C ATOM 751 O TYR A 49 -10.580 1.195 5.417 1.00 0.11 O ATOM 752 CB TYR A 49 -11.112 3.283 3.753 1.00 0.15 C ATOM 753 CG TYR A 49 -11.813 4.295 2.879 1.00 0.16 C ATOM 754 CD1 TYR A 49 -13.079 3.996 2.348 1.00 0.19 C ATOM 755 CD2 TYR A 49 -11.206 5.534 2.599 1.00 0.17 C ATOM 756 CE1 TYR A 49 -13.742 4.933 1.537 1.00 0.21 C ATOM 757 CE2 TYR A 49 -11.868 6.473 1.789 1.00 0.20 C ATOM 758 CZ TYR A 49 -13.138 6.173 1.256 1.00 0.21 C ATOM 759 OH TYR A 49 -13.789 7.094 0.462 1.00 0.24 O ATOM 0 H TYR A 49 -10.337 4.277 6.333 1.00 0.13 H new ATOM 0 HA TYR A 49 -12.859 3.331 5.015 1.00 0.13 H new ATOM 0 HB2 TYR A 49 -10.057 3.540 3.851 1.00 0.15 H new ATOM 0 HB3 TYR A 49 -11.158 2.296 3.294 1.00 0.15 H new ATOM 0 HD1 TYR A 49 -13.543 3.045 2.563 1.00 0.19 H new ATOM 0 HD2 TYR A 49 -10.232 5.763 3.006 1.00 0.17 H new ATOM 0 HE1 TYR A 49 -14.715 4.702 1.129 1.00 0.21 H new ATOM 0 HE2 TYR A 49 -11.404 7.424 1.575 1.00 0.20 H new ATOM 0 HH TYR A 49 -13.234 7.896 0.369 1.00 0.24 H new ATOM 769 N SER A 50 -12.115 1.650 6.920 1.00 0.12 N ATOM 770 CA SER A 50 -11.840 0.384 7.652 1.00 0.13 C ATOM 771 C SER A 50 -12.273 -0.801 6.786 1.00 0.13 C ATOM 772 O SER A 50 -12.055 -1.947 7.126 1.00 0.14 O ATOM 773 CB SER A 50 -12.627 0.374 8.962 1.00 0.16 C ATOM 774 OG SER A 50 -14.018 0.351 8.674 1.00 0.17 O ATOM 0 H SER A 50 -12.846 2.236 7.324 1.00 0.12 H new ATOM 0 HA SER A 50 -10.775 0.308 7.870 1.00 0.13 H new ATOM 0 HB2 SER A 50 -12.353 -0.497 9.558 1.00 0.16 H new ATOM 0 HB3 SER A 50 -12.381 1.256 9.554 1.00 0.16 H new ATOM 0 HG SER A 50 -14.526 0.343 9.512 1.00 0.17 H new ATOM 780 N ASN A 51 -12.894 -0.530 5.666 1.00 0.13 N ATOM 781 CA ASN A 51 -13.356 -1.630 4.767 1.00 0.15 C ATOM 782 C ASN A 51 -12.306 -1.882 3.683 1.00 0.13 C ATOM 783 O ASN A 51 -12.495 -2.699 2.803 1.00 0.14 O ATOM 784 CB ASN A 51 -14.676 -1.216 4.115 1.00 0.17 C ATOM 785 CG ASN A 51 -15.289 -2.413 3.386 1.00 0.20 C ATOM 786 OD1 ASN A 51 -14.827 -2.799 2.330 1.00 0.34 O ATOM 787 ND2 ASN A 51 -16.319 -3.020 3.907 1.00 0.32 N ATOM 0 H ASN A 51 -13.102 0.412 5.334 1.00 0.13 H new ATOM 0 HA ASN A 51 -13.500 -2.543 5.345 1.00 0.15 H new ATOM 0 HB2 ASN A 51 -15.367 -0.847 4.873 1.00 0.17 H new ATOM 0 HB3 ASN A 51 -14.506 -0.399 3.414 1.00 0.17 H new ATOM 0 HD21 ASN A 51 -16.736 -3.818 3.428 1.00 0.32 H new ATOM 0 HD22 ASN A 51 -16.707 -2.697 4.793 1.00 0.32 H new ATOM 794 N VAL A 52 -11.196 -1.189 3.749 1.00 0.11 N ATOM 795 CA VAL A 52 -10.108 -1.375 2.736 1.00 0.10 C ATOM 796 C VAL A 52 -8.850 -1.876 3.443 1.00 0.10 C ATOM 797 O VAL A 52 -8.612 -1.569 4.595 1.00 0.11 O ATOM 798 CB VAL A 52 -9.806 -0.034 2.067 1.00 0.11 C ATOM 799 CG1 VAL A 52 -8.616 -0.183 1.114 1.00 0.12 C ATOM 800 CG2 VAL A 52 -11.039 0.428 1.286 1.00 0.12 C ATOM 0 H VAL A 52 -10.994 -0.495 4.469 1.00 0.11 H new ATOM 0 HA VAL A 52 -10.424 -2.097 1.984 1.00 0.10 H new ATOM 0 HB VAL A 52 -9.558 0.704 2.829 1.00 0.11 H new ATOM 0 HG11 VAL A 52 -8.406 0.776 0.641 1.00 0.12 H new ATOM 0 HG12 VAL A 52 -7.740 -0.510 1.674 1.00 0.12 H new ATOM 0 HG13 VAL A 52 -8.854 -0.921 0.348 1.00 0.12 H new ATOM 0 HG21 VAL A 52 -10.829 1.384 0.807 1.00 0.12 H new ATOM 0 HG22 VAL A 52 -11.286 -0.312 0.525 1.00 0.12 H new ATOM 0 HG23 VAL A 52 -11.881 0.542 1.969 1.00 0.12 H new ATOM 810 N ILE A 53 -8.047 -2.653 2.764 1.00 0.09 N ATOM 811 CA ILE A 53 -6.799 -3.192 3.387 1.00 0.09 C ATOM 812 C ILE A 53 -5.601 -2.361 2.911 1.00 0.09 C ATOM 813 O ILE A 53 -5.411 -2.155 1.729 1.00 0.14 O ATOM 814 CB ILE A 53 -6.616 -4.650 2.950 1.00 0.09 C ATOM 815 CG1 ILE A 53 -7.965 -5.398 3.025 1.00 0.10 C ATOM 816 CG2 ILE A 53 -5.560 -5.340 3.827 1.00 0.11 C ATOM 817 CD1 ILE A 53 -8.664 -5.187 4.380 1.00 0.17 C ATOM 0 H ILE A 53 -8.202 -2.940 1.798 1.00 0.09 H new ATOM 0 HA ILE A 53 -6.870 -3.140 4.473 1.00 0.09 H new ATOM 0 HB ILE A 53 -6.267 -4.670 1.918 1.00 0.09 H new ATOM 0 HG12 ILE A 53 -8.617 -5.052 2.223 1.00 0.10 H new ATOM 0 HG13 ILE A 53 -7.799 -6.463 2.864 1.00 0.10 H new ATOM 0 HG21 ILE A 53 -5.440 -6.375 3.506 1.00 0.11 H new ATOM 0 HG22 ILE A 53 -4.608 -4.817 3.730 1.00 0.11 H new ATOM 0 HG23 ILE A 53 -5.881 -5.318 4.868 1.00 0.11 H new ATOM 0 HD11 ILE A 53 -9.609 -5.730 4.390 1.00 0.17 H new ATOM 0 HD12 ILE A 53 -8.024 -5.557 5.181 1.00 0.17 H new ATOM 0 HD13 ILE A 53 -8.855 -4.124 4.529 1.00 0.17 H new ATOM 829 N PHE A 54 -4.796 -1.880 3.826 1.00 0.08 N ATOM 830 CA PHE A 54 -3.602 -1.055 3.451 1.00 0.08 C ATOM 831 C PHE A 54 -2.331 -1.776 3.889 1.00 0.08 C ATOM 832 O PHE A 54 -2.224 -2.240 5.007 1.00 0.11 O ATOM 833 CB PHE A 54 -3.686 0.298 4.157 1.00 0.08 C ATOM 834 CG PHE A 54 -4.964 0.987 3.740 1.00 0.08 C ATOM 835 CD1 PHE A 54 -5.102 1.458 2.423 1.00 0.09 C ATOM 836 CD2 PHE A 54 -6.018 1.150 4.661 1.00 0.09 C ATOM 837 CE1 PHE A 54 -6.291 2.094 2.024 1.00 0.10 C ATOM 838 CE2 PHE A 54 -7.208 1.786 4.260 1.00 0.09 C ATOM 839 CZ PHE A 54 -7.343 2.259 2.941 1.00 0.09 C ATOM 0 H PHE A 54 -4.915 -2.025 4.829 1.00 0.08 H new ATOM 0 HA PHE A 54 -3.582 -0.906 2.371 1.00 0.08 H new ATOM 0 HB2 PHE A 54 -3.667 0.161 5.238 1.00 0.08 H new ATOM 0 HB3 PHE A 54 -2.824 0.913 3.898 1.00 0.08 H new ATOM 0 HD1 PHE A 54 -4.294 1.331 1.717 1.00 0.09 H new ATOM 0 HD2 PHE A 54 -5.913 0.788 5.673 1.00 0.09 H new ATOM 0 HE1 PHE A 54 -6.396 2.456 1.012 1.00 0.10 H new ATOM 0 HE2 PHE A 54 -8.017 1.911 4.964 1.00 0.09 H new ATOM 0 HZ PHE A 54 -8.255 2.749 2.634 1.00 0.09 H new ATOM 849 N LEU A 55 -1.367 -1.882 3.008 1.00 0.08 N ATOM 850 CA LEU A 55 -0.086 -2.582 3.343 1.00 0.09 C ATOM 851 C LEU A 55 1.054 -1.556 3.356 1.00 0.09 C ATOM 852 O LEU A 55 0.875 -0.408 3.000 1.00 0.10 O ATOM 853 CB LEU A 55 0.207 -3.650 2.272 1.00 0.10 C ATOM 854 CG LEU A 55 -0.591 -4.937 2.540 1.00 0.11 C ATOM 855 CD1 LEU A 55 -2.082 -4.620 2.747 1.00 0.12 C ATOM 856 CD2 LEU A 55 -0.423 -5.879 1.343 1.00 0.12 C ATOM 0 H LEU A 55 -1.413 -1.509 2.060 1.00 0.08 H new ATOM 0 HA LEU A 55 -0.170 -3.058 4.320 1.00 0.09 H new ATOM 0 HB2 LEU A 55 -0.047 -3.260 1.286 1.00 0.10 H new ATOM 0 HB3 LEU A 55 1.273 -3.875 2.261 1.00 0.10 H new ATOM 0 HG LEU A 55 -0.215 -5.410 3.447 1.00 0.11 H new ATOM 0 HD11 LEU A 55 -2.628 -5.545 2.935 1.00 0.12 H new ATOM 0 HD12 LEU A 55 -2.197 -3.951 3.600 1.00 0.12 H new ATOM 0 HD13 LEU A 55 -2.479 -4.140 1.853 1.00 0.12 H new ATOM 0 HD21 LEU A 55 -0.984 -6.796 1.520 1.00 0.12 H new ATOM 0 HD22 LEU A 55 -0.797 -5.393 0.442 1.00 0.12 H new ATOM 0 HD23 LEU A 55 0.632 -6.119 1.214 1.00 0.12 H new ATOM 868 N GLU A 56 2.227 -1.971 3.756 1.00 0.09 N ATOM 869 CA GLU A 56 3.396 -1.041 3.789 1.00 0.09 C ATOM 870 C GLU A 56 4.650 -1.841 3.429 1.00 0.09 C ATOM 871 O GLU A 56 4.771 -2.997 3.780 1.00 0.10 O ATOM 872 CB GLU A 56 3.534 -0.446 5.196 1.00 0.09 C ATOM 873 CG GLU A 56 4.530 0.718 5.175 1.00 0.11 C ATOM 874 CD GLU A 56 4.434 1.493 6.491 1.00 0.53 C ATOM 875 OE1 GLU A 56 4.690 0.900 7.526 1.00 1.31 O ATOM 876 OE2 GLU A 56 4.106 2.667 6.441 1.00 1.24 O ATOM 0 H GLU A 56 2.428 -2.922 4.064 1.00 0.09 H new ATOM 0 HA GLU A 56 3.259 -0.226 3.078 1.00 0.09 H new ATOM 0 HB2 GLU A 56 2.563 -0.099 5.550 1.00 0.09 H new ATOM 0 HB3 GLU A 56 3.872 -1.213 5.893 1.00 0.09 H new ATOM 0 HG2 GLU A 56 5.543 0.342 5.035 1.00 0.11 H new ATOM 0 HG3 GLU A 56 4.316 1.379 4.335 1.00 0.11 H new ATOM 883 N VAL A 57 5.573 -1.250 2.707 1.00 0.08 N ATOM 884 CA VAL A 57 6.807 -1.999 2.298 1.00 0.08 C ATOM 885 C VAL A 57 8.041 -1.095 2.417 1.00 0.09 C ATOM 886 O VAL A 57 8.018 0.064 2.047 1.00 0.14 O ATOM 887 CB VAL A 57 6.653 -2.452 0.832 1.00 0.09 C ATOM 888 CG1 VAL A 57 8.004 -2.939 0.286 1.00 0.10 C ATOM 889 CG2 VAL A 57 5.633 -3.594 0.740 1.00 0.09 C ATOM 0 H VAL A 57 5.526 -0.284 2.383 1.00 0.08 H new ATOM 0 HA VAL A 57 6.935 -2.863 2.951 1.00 0.08 H new ATOM 0 HB VAL A 57 6.306 -1.604 0.241 1.00 0.09 H new ATOM 0 HG11 VAL A 57 7.885 -3.257 -0.750 1.00 0.10 H new ATOM 0 HG12 VAL A 57 8.730 -2.128 0.335 1.00 0.10 H new ATOM 0 HG13 VAL A 57 8.357 -3.779 0.885 1.00 0.10 H new ATOM 0 HG21 VAL A 57 5.531 -3.908 -0.299 1.00 0.09 H new ATOM 0 HG22 VAL A 57 5.975 -4.436 1.341 1.00 0.09 H new ATOM 0 HG23 VAL A 57 4.668 -3.251 1.112 1.00 0.09 H new ATOM 899 N ASP A 58 9.129 -1.642 2.905 1.00 0.09 N ATOM 900 CA ASP A 58 10.397 -0.857 3.028 1.00 0.09 C ATOM 901 C ASP A 58 11.290 -1.204 1.828 1.00 0.10 C ATOM 902 O ASP A 58 11.975 -2.207 1.821 1.00 0.11 O ATOM 903 CB ASP A 58 11.103 -1.237 4.337 1.00 0.11 C ATOM 904 CG ASP A 58 12.115 -0.153 4.717 1.00 0.13 C ATOM 905 OD1 ASP A 58 11.686 0.930 5.080 1.00 1.08 O ATOM 906 OD2 ASP A 58 13.303 -0.425 4.641 1.00 1.06 O ATOM 0 H ASP A 58 9.192 -2.608 3.226 1.00 0.09 H new ATOM 0 HA ASP A 58 10.189 0.213 3.040 1.00 0.09 H new ATOM 0 HB2 ASP A 58 10.370 -1.357 5.134 1.00 0.11 H new ATOM 0 HB3 ASP A 58 11.609 -2.195 4.222 1.00 0.11 H new ATOM 911 N VAL A 59 11.262 -0.397 0.803 1.00 0.12 N ATOM 912 CA VAL A 59 12.077 -0.683 -0.418 1.00 0.15 C ATOM 913 C VAL A 59 13.555 -0.887 -0.068 1.00 0.18 C ATOM 914 O VAL A 59 14.342 -1.239 -0.918 1.00 0.27 O ATOM 915 CB VAL A 59 11.951 0.494 -1.391 1.00 0.19 C ATOM 916 CG1 VAL A 59 10.572 0.467 -2.054 1.00 0.19 C ATOM 917 CG2 VAL A 59 12.121 1.807 -0.622 1.00 0.22 C ATOM 0 H VAL A 59 10.705 0.456 0.756 1.00 0.12 H new ATOM 0 HA VAL A 59 11.703 -1.600 -0.873 1.00 0.15 H new ATOM 0 HB VAL A 59 12.722 0.416 -2.158 1.00 0.19 H new ATOM 0 HG11 VAL A 59 10.484 1.305 -2.746 1.00 0.19 H new ATOM 0 HG12 VAL A 59 10.449 -0.468 -2.600 1.00 0.19 H new ATOM 0 HG13 VAL A 59 9.799 0.545 -1.289 1.00 0.19 H new ATOM 0 HG21 VAL A 59 12.032 2.647 -1.311 1.00 0.22 H new ATOM 0 HG22 VAL A 59 11.349 1.883 0.144 1.00 0.22 H new ATOM 0 HG23 VAL A 59 13.103 1.828 -0.150 1.00 0.22 H new ATOM 927 N ASP A 60 13.947 -0.662 1.159 1.00 0.16 N ATOM 928 CA ASP A 60 15.391 -0.832 1.530 1.00 0.18 C ATOM 929 C ASP A 60 15.596 -2.136 2.304 1.00 0.17 C ATOM 930 O ASP A 60 16.509 -2.889 2.031 1.00 0.18 O ATOM 931 CB ASP A 60 15.827 0.343 2.403 1.00 0.21 C ATOM 932 CG ASP A 60 15.470 1.658 1.708 1.00 0.24 C ATOM 933 OD1 ASP A 60 15.988 1.894 0.628 1.00 1.11 O ATOM 934 OD2 ASP A 60 14.689 2.408 2.269 1.00 1.08 O ATOM 0 H ASP A 60 13.335 -0.369 1.921 1.00 0.16 H new ATOM 0 HA ASP A 60 15.987 -0.865 0.618 1.00 0.18 H new ATOM 0 HB2 ASP A 60 15.337 0.289 3.375 1.00 0.21 H new ATOM 0 HB3 ASP A 60 16.901 0.296 2.585 1.00 0.21 H new ATOM 939 N ASP A 61 14.764 -2.408 3.273 1.00 0.17 N ATOM 940 CA ASP A 61 14.921 -3.662 4.073 1.00 0.17 C ATOM 941 C ASP A 61 14.066 -4.775 3.453 1.00 0.16 C ATOM 942 O ASP A 61 14.162 -5.924 3.838 1.00 0.18 O ATOM 943 CB ASP A 61 14.491 -3.384 5.524 1.00 0.19 C ATOM 944 CG ASP A 61 14.128 -4.691 6.241 1.00 0.22 C ATOM 945 OD1 ASP A 61 15.039 -5.382 6.666 1.00 1.12 O ATOM 946 OD2 ASP A 61 12.948 -4.979 6.346 1.00 1.07 O ATOM 0 H ASP A 61 13.980 -1.816 3.547 1.00 0.17 H new ATOM 0 HA ASP A 61 15.962 -3.987 4.069 1.00 0.17 H new ATOM 0 HB2 ASP A 61 15.298 -2.882 6.058 1.00 0.19 H new ATOM 0 HB3 ASP A 61 13.635 -2.709 5.532 1.00 0.19 H new ATOM 951 N ALA A 62 13.243 -4.444 2.490 1.00 0.16 N ATOM 952 CA ALA A 62 12.385 -5.476 1.822 1.00 0.16 C ATOM 953 C ALA A 62 12.629 -5.418 0.314 1.00 0.16 C ATOM 954 O ALA A 62 11.709 -5.465 -0.478 1.00 0.15 O ATOM 955 CB ALA A 62 10.911 -5.184 2.112 1.00 0.17 C ATOM 0 H ALA A 62 13.126 -3.495 2.134 1.00 0.16 H new ATOM 0 HA ALA A 62 12.635 -6.467 2.202 1.00 0.16 H new ATOM 0 HB1 ALA A 62 10.289 -5.935 1.626 1.00 0.17 H new ATOM 0 HB2 ALA A 62 10.739 -5.212 3.188 1.00 0.17 H new ATOM 0 HB3 ALA A 62 10.654 -4.196 1.729 1.00 0.17 H new ATOM 961 N GLN A 63 13.867 -5.310 -0.088 1.00 0.20 N ATOM 962 CA GLN A 63 14.182 -5.239 -1.543 1.00 0.22 C ATOM 963 C GLN A 63 13.609 -6.463 -2.261 1.00 0.20 C ATOM 964 O GLN A 63 13.525 -6.498 -3.472 1.00 0.20 O ATOM 965 CB GLN A 63 15.700 -5.192 -1.741 1.00 0.29 C ATOM 966 CG GLN A 63 16.360 -6.331 -0.959 1.00 0.90 C ATOM 967 CD GLN A 63 17.836 -6.426 -1.354 1.00 1.53 C ATOM 968 OE1 GLN A 63 18.173 -6.328 -2.516 1.00 2.17 O ATOM 969 NE2 GLN A 63 18.736 -6.615 -0.428 1.00 2.22 N ATOM 0 H GLN A 63 14.676 -5.268 0.532 1.00 0.20 H new ATOM 0 HA GLN A 63 13.734 -4.337 -1.960 1.00 0.22 H new ATOM 0 HB2 GLN A 63 15.941 -5.279 -2.801 1.00 0.29 H new ATOM 0 HB3 GLN A 63 16.091 -4.232 -1.403 1.00 0.29 H new ATOM 0 HG2 GLN A 63 16.269 -6.153 0.112 1.00 0.90 H new ATOM 0 HG3 GLN A 63 15.854 -7.273 -1.169 1.00 0.90 H new ATOM 0 HE21 GLN A 63 18.453 -6.697 0.549 1.00 2.22 H new ATOM 0 HE22 GLN A 63 19.722 -6.680 -0.681 1.00 2.22 H new ATOM 978 N ASP A 64 13.210 -7.468 -1.529 1.00 0.19 N ATOM 979 CA ASP A 64 12.643 -8.679 -2.184 1.00 0.20 C ATOM 980 C ASP A 64 11.281 -8.328 -2.786 1.00 0.17 C ATOM 981 O ASP A 64 10.946 -8.752 -3.875 1.00 0.19 O ATOM 982 CB ASP A 64 12.485 -9.799 -1.148 1.00 0.22 C ATOM 983 CG ASP A 64 11.957 -9.222 0.168 1.00 0.23 C ATOM 984 OD1 ASP A 64 11.630 -8.047 0.192 1.00 1.09 O ATOM 985 OD2 ASP A 64 11.887 -9.968 1.132 1.00 1.11 O ATOM 0 H ASP A 64 13.252 -7.502 -0.510 1.00 0.19 H new ATOM 0 HA ASP A 64 13.313 -9.021 -2.973 1.00 0.20 H new ATOM 0 HB2 ASP A 64 11.799 -10.559 -1.523 1.00 0.22 H new ATOM 0 HB3 ASP A 64 13.444 -10.290 -0.981 1.00 0.22 H new ATOM 990 N VAL A 65 10.500 -7.544 -2.096 1.00 0.15 N ATOM 991 CA VAL A 65 9.172 -7.154 -2.641 1.00 0.16 C ATOM 992 C VAL A 65 9.387 -6.131 -3.756 1.00 0.16 C ATOM 993 O VAL A 65 8.801 -6.216 -4.816 1.00 0.19 O ATOM 994 CB VAL A 65 8.327 -6.532 -1.527 1.00 0.16 C ATOM 995 CG1 VAL A 65 6.887 -6.357 -2.013 1.00 0.19 C ATOM 996 CG2 VAL A 65 8.343 -7.450 -0.303 1.00 0.18 C ATOM 0 H VAL A 65 10.725 -7.157 -1.179 1.00 0.15 H new ATOM 0 HA VAL A 65 8.654 -8.029 -3.033 1.00 0.16 H new ATOM 0 HB VAL A 65 8.740 -5.559 -1.259 1.00 0.16 H new ATOM 0 HG11 VAL A 65 6.286 -5.914 -1.219 1.00 0.19 H new ATOM 0 HG12 VAL A 65 6.874 -5.703 -2.885 1.00 0.19 H new ATOM 0 HG13 VAL A 65 6.473 -7.329 -2.282 1.00 0.19 H new ATOM 0 HG21 VAL A 65 7.741 -7.008 0.491 1.00 0.18 H new ATOM 0 HG22 VAL A 65 7.931 -8.422 -0.572 1.00 0.18 H new ATOM 0 HG23 VAL A 65 9.368 -7.574 0.045 1.00 0.18 H new ATOM 1006 N ALA A 66 10.237 -5.168 -3.522 1.00 0.16 N ATOM 1007 CA ALA A 66 10.511 -4.140 -4.563 1.00 0.18 C ATOM 1008 C ALA A 66 11.153 -4.811 -5.780 1.00 0.19 C ATOM 1009 O ALA A 66 10.940 -4.411 -6.907 1.00 0.20 O ATOM 1010 CB ALA A 66 11.469 -3.089 -3.999 1.00 0.22 C ATOM 0 H ALA A 66 10.755 -5.050 -2.651 1.00 0.16 H new ATOM 0 HA ALA A 66 9.578 -3.661 -4.859 1.00 0.18 H new ATOM 0 HB1 ALA A 66 11.671 -2.335 -4.760 1.00 0.22 H new ATOM 0 HB2 ALA A 66 11.016 -2.614 -3.129 1.00 0.22 H new ATOM 0 HB3 ALA A 66 12.403 -3.568 -3.706 1.00 0.22 H new ATOM 1016 N SER A 67 11.941 -5.828 -5.557 1.00 0.21 N ATOM 1017 CA SER A 67 12.602 -6.525 -6.697 1.00 0.26 C ATOM 1018 C SER A 67 11.541 -7.180 -7.585 1.00 0.26 C ATOM 1019 O SER A 67 11.523 -6.992 -8.786 1.00 0.29 O ATOM 1020 CB SER A 67 13.548 -7.599 -6.155 1.00 0.31 C ATOM 1021 OG SER A 67 14.685 -6.975 -5.576 1.00 1.29 O ATOM 0 H SER A 67 12.155 -6.206 -4.634 1.00 0.21 H new ATOM 0 HA SER A 67 13.168 -5.802 -7.285 1.00 0.26 H new ATOM 0 HB2 SER A 67 13.036 -8.209 -5.411 1.00 0.31 H new ATOM 0 HB3 SER A 67 13.856 -8.268 -6.959 1.00 0.31 H new ATOM 0 HG SER A 67 14.414 -6.480 -4.775 1.00 1.29 H new ATOM 1027 N GLU A 68 10.663 -7.950 -7.006 1.00 0.26 N ATOM 1028 CA GLU A 68 9.608 -8.620 -7.818 1.00 0.30 C ATOM 1029 C GLU A 68 8.706 -7.564 -8.464 1.00 0.31 C ATOM 1030 O GLU A 68 8.240 -7.729 -9.574 1.00 0.36 O ATOM 1031 CB GLU A 68 8.772 -9.530 -6.910 1.00 0.31 C ATOM 1032 CG GLU A 68 7.970 -10.517 -7.763 1.00 0.39 C ATOM 1033 CD GLU A 68 7.187 -11.462 -6.849 1.00 1.43 C ATOM 1034 OE1 GLU A 68 6.616 -10.982 -5.884 1.00 2.20 O ATOM 1035 OE2 GLU A 68 7.174 -12.649 -7.129 1.00 2.19 O ATOM 0 H GLU A 68 10.630 -8.145 -6.005 1.00 0.26 H new ATOM 0 HA GLU A 68 10.075 -9.217 -8.601 1.00 0.30 H new ATOM 0 HB2 GLU A 68 9.423 -10.073 -6.225 1.00 0.31 H new ATOM 0 HB3 GLU A 68 8.097 -8.930 -6.300 1.00 0.31 H new ATOM 0 HG2 GLU A 68 7.286 -9.976 -8.417 1.00 0.39 H new ATOM 0 HG3 GLU A 68 8.641 -11.088 -8.405 1.00 0.39 H new ATOM 1042 N ALA A 69 8.454 -6.479 -7.778 1.00 0.29 N ATOM 1043 CA ALA A 69 7.580 -5.413 -8.354 1.00 0.31 C ATOM 1044 C ALA A 69 8.431 -4.433 -9.167 1.00 0.29 C ATOM 1045 O ALA A 69 7.924 -3.516 -9.781 1.00 0.33 O ATOM 1046 CB ALA A 69 6.880 -4.665 -7.216 1.00 0.31 C ATOM 0 H ALA A 69 8.815 -6.285 -6.844 1.00 0.29 H new ATOM 0 HA ALA A 69 6.834 -5.866 -9.007 1.00 0.31 H new ATOM 0 HB1 ALA A 69 6.241 -3.886 -7.632 1.00 0.31 H new ATOM 0 HB2 ALA A 69 6.273 -5.364 -6.641 1.00 0.31 H new ATOM 0 HB3 ALA A 69 7.627 -4.212 -6.564 1.00 0.31 H new ATOM 1052 N GLU A 70 9.722 -4.624 -9.181 1.00 0.27 N ATOM 1053 CA GLU A 70 10.609 -3.710 -9.958 1.00 0.29 C ATOM 1054 C GLU A 70 10.258 -2.250 -9.653 1.00 0.25 C ATOM 1055 O GLU A 70 9.964 -1.479 -10.541 1.00 0.26 O ATOM 1056 CB GLU A 70 10.429 -3.971 -11.457 1.00 0.38 C ATOM 1057 CG GLU A 70 11.067 -5.311 -11.829 1.00 1.18 C ATOM 1058 CD GLU A 70 11.014 -5.496 -13.347 1.00 1.61 C ATOM 1059 OE1 GLU A 70 10.172 -4.872 -13.971 1.00 2.34 O ATOM 1060 OE2 GLU A 70 11.817 -6.259 -13.859 1.00 2.06 O ATOM 0 H GLU A 70 10.203 -5.376 -8.687 1.00 0.27 H new ATOM 0 HA GLU A 70 11.644 -3.897 -9.674 1.00 0.29 H new ATOM 0 HB2 GLU A 70 9.369 -3.980 -11.709 1.00 0.38 H new ATOM 0 HB3 GLU A 70 10.887 -3.167 -12.033 1.00 0.38 H new ATOM 0 HG2 GLU A 70 12.100 -5.342 -11.484 1.00 1.18 H new ATOM 0 HG3 GLU A 70 10.541 -6.127 -11.334 1.00 1.18 H new ATOM 1067 N VAL A 71 10.290 -1.866 -8.405 1.00 0.22 N ATOM 1068 CA VAL A 71 9.970 -0.453 -8.041 1.00 0.19 C ATOM 1069 C VAL A 71 11.216 0.417 -8.247 1.00 0.23 C ATOM 1070 O VAL A 71 12.300 0.063 -7.825 1.00 0.28 O ATOM 1071 CB VAL A 71 9.544 -0.386 -6.574 1.00 0.18 C ATOM 1072 CG1 VAL A 71 9.037 1.020 -6.263 1.00 0.19 C ATOM 1073 CG2 VAL A 71 8.419 -1.395 -6.320 1.00 0.19 C ATOM 0 H VAL A 71 10.525 -2.471 -7.618 1.00 0.22 H new ATOM 0 HA VAL A 71 9.159 -0.090 -8.672 1.00 0.19 H new ATOM 0 HB VAL A 71 10.396 -0.622 -5.936 1.00 0.18 H new ATOM 0 HG11 VAL A 71 8.732 1.074 -5.218 1.00 0.19 H new ATOM 0 HG12 VAL A 71 9.832 1.742 -6.446 1.00 0.19 H new ATOM 0 HG13 VAL A 71 8.184 1.249 -6.902 1.00 0.19 H new ATOM 0 HG21 VAL A 71 8.116 -1.347 -5.274 1.00 0.19 H new ATOM 0 HG22 VAL A 71 7.566 -1.157 -6.956 1.00 0.19 H new ATOM 0 HG23 VAL A 71 8.773 -2.400 -6.549 1.00 0.19 H new ATOM 1083 N LYS A 72 11.070 1.554 -8.889 1.00 0.24 N ATOM 1084 CA LYS A 72 12.247 2.460 -9.122 1.00 0.29 C ATOM 1085 C LYS A 72 11.890 3.885 -8.693 1.00 0.26 C ATOM 1086 O LYS A 72 12.662 4.805 -8.871 1.00 0.27 O ATOM 1087 CB LYS A 72 12.612 2.469 -10.614 1.00 0.35 C ATOM 1088 CG LYS A 72 13.085 1.067 -11.065 1.00 0.43 C ATOM 1089 CD LYS A 72 11.897 0.258 -11.623 1.00 1.16 C ATOM 1090 CE LYS A 72 11.688 0.581 -13.108 1.00 1.66 C ATOM 1091 NZ LYS A 72 10.325 0.145 -13.520 1.00 2.40 N ATOM 0 H LYS A 72 10.185 1.896 -9.263 1.00 0.24 H new ATOM 0 HA LYS A 72 13.093 2.096 -8.539 1.00 0.29 H new ATOM 0 HB2 LYS A 72 11.748 2.775 -11.204 1.00 0.35 H new ATOM 0 HB3 LYS A 72 13.398 3.201 -10.798 1.00 0.35 H new ATOM 0 HG2 LYS A 72 13.858 1.164 -11.827 1.00 0.43 H new ATOM 0 HG3 LYS A 72 13.531 0.538 -10.223 1.00 0.43 H new ATOM 0 HD2 LYS A 72 12.083 -0.809 -11.498 1.00 1.16 H new ATOM 0 HD3 LYS A 72 10.992 0.492 -11.062 1.00 1.16 H new ATOM 0 HE2 LYS A 72 11.807 1.651 -13.279 1.00 1.66 H new ATOM 0 HE3 LYS A 72 12.442 0.075 -13.711 1.00 1.66 H new ATOM 0 HZ1 LYS A 72 10.180 0.363 -14.527 1.00 2.40 H new ATOM 0 HZ2 LYS A 72 10.228 -0.880 -13.370 1.00 2.40 H new ATOM 0 HZ3 LYS A 72 9.613 0.647 -12.952 1.00 2.40 H new ATOM 1105 N ALA A 73 10.729 4.078 -8.130 1.00 0.22 N ATOM 1106 CA ALA A 73 10.325 5.451 -7.691 1.00 0.20 C ATOM 1107 C ALA A 73 9.364 5.327 -6.510 1.00 0.18 C ATOM 1108 O ALA A 73 8.387 4.620 -6.585 1.00 0.16 O ATOM 1109 CB ALA A 73 9.631 6.177 -8.862 1.00 0.21 C ATOM 0 H ALA A 73 10.040 3.347 -7.953 1.00 0.22 H new ATOM 0 HA ALA A 73 11.202 6.023 -7.388 1.00 0.20 H new ATOM 0 HB1 ALA A 73 9.335 7.177 -8.546 1.00 0.21 H new ATOM 0 HB2 ALA A 73 10.320 6.251 -9.704 1.00 0.21 H new ATOM 0 HB3 ALA A 73 8.747 5.616 -9.165 1.00 0.21 H new ATOM 1115 N THR A 74 9.622 6.023 -5.427 1.00 0.18 N ATOM 1116 CA THR A 74 8.702 5.950 -4.244 1.00 0.17 C ATOM 1117 C THR A 74 8.070 7.334 -4.021 1.00 0.17 C ATOM 1118 O THR A 74 8.697 8.332 -4.319 1.00 0.19 O ATOM 1119 CB THR A 74 9.504 5.563 -2.986 1.00 0.19 C ATOM 1120 OG1 THR A 74 10.635 6.409 -2.872 1.00 0.22 O ATOM 1121 CG2 THR A 74 9.982 4.101 -3.055 1.00 0.19 C ATOM 0 H THR A 74 10.428 6.637 -5.311 1.00 0.18 H new ATOM 0 HA THR A 74 7.929 5.204 -4.429 1.00 0.17 H new ATOM 0 HB THR A 74 8.851 5.675 -2.120 1.00 0.19 H new ATOM 0 HG1 THR A 74 11.146 6.166 -2.072 1.00 0.22 H new ATOM 0 HG21 THR A 74 10.544 3.859 -2.153 1.00 0.19 H new ATOM 0 HG22 THR A 74 9.119 3.439 -3.133 1.00 0.19 H new ATOM 0 HG23 THR A 74 10.621 3.968 -3.928 1.00 0.19 H new ATOM 1129 N PRO A 75 6.867 7.381 -3.479 1.00 0.17 N ATOM 1130 CA PRO A 75 6.062 6.194 -3.098 1.00 0.16 C ATOM 1131 C PRO A 75 5.413 5.573 -4.341 1.00 0.14 C ATOM 1132 O PRO A 75 4.983 6.270 -5.238 1.00 0.14 O ATOM 1133 CB PRO A 75 4.974 6.755 -2.160 1.00 0.17 C ATOM 1134 CG PRO A 75 5.000 8.302 -2.303 1.00 0.20 C ATOM 1135 CD PRO A 75 6.225 8.669 -3.170 1.00 0.19 C ATOM 0 HA PRO A 75 6.663 5.416 -2.627 1.00 0.16 H new ATOM 0 HB2 PRO A 75 3.994 6.360 -2.427 1.00 0.17 H new ATOM 0 HB3 PRO A 75 5.166 6.460 -1.128 1.00 0.17 H new ATOM 0 HG2 PRO A 75 4.081 8.659 -2.767 1.00 0.20 H new ATOM 0 HG3 PRO A 75 5.068 8.776 -1.324 1.00 0.20 H new ATOM 0 HD2 PRO A 75 5.924 9.189 -4.079 1.00 0.19 H new ATOM 0 HD3 PRO A 75 6.905 9.331 -2.634 1.00 0.19 H new ATOM 1143 N THR A 76 5.316 4.266 -4.380 1.00 0.13 N ATOM 1144 CA THR A 76 4.664 3.586 -5.546 1.00 0.12 C ATOM 1145 C THR A 76 3.390 2.925 -5.043 1.00 0.12 C ATOM 1146 O THR A 76 3.438 1.976 -4.288 1.00 0.18 O ATOM 1147 CB THR A 76 5.590 2.502 -6.126 1.00 0.12 C ATOM 1148 OG1 THR A 76 6.924 2.969 -6.101 1.00 0.13 O ATOM 1149 CG2 THR A 76 5.189 2.189 -7.575 1.00 0.13 C ATOM 0 H THR A 76 5.661 3.639 -3.653 1.00 0.13 H new ATOM 0 HA THR A 76 4.452 4.317 -6.326 1.00 0.12 H new ATOM 0 HB THR A 76 5.502 1.596 -5.527 1.00 0.12 H new ATOM 0 HG1 THR A 76 6.949 3.904 -6.393 1.00 0.13 H new ATOM 0 HG21 THR A 76 5.849 1.421 -7.978 1.00 0.13 H new ATOM 0 HG22 THR A 76 4.160 1.831 -7.598 1.00 0.13 H new ATOM 0 HG23 THR A 76 5.273 3.092 -8.179 1.00 0.13 H new ATOM 1157 N PHE A 77 2.250 3.404 -5.445 1.00 0.09 N ATOM 1158 CA PHE A 77 0.993 2.768 -4.968 1.00 0.09 C ATOM 1159 C PHE A 77 0.645 1.616 -5.892 1.00 0.09 C ATOM 1160 O PHE A 77 0.521 1.777 -7.090 1.00 0.10 O ATOM 1161 CB PHE A 77 -0.147 3.783 -4.957 1.00 0.10 C ATOM 1162 CG PHE A 77 0.123 4.793 -3.876 1.00 0.10 C ATOM 1163 CD1 PHE A 77 -0.141 4.459 -2.536 1.00 0.09 C ATOM 1164 CD2 PHE A 77 0.649 6.057 -4.201 1.00 0.14 C ATOM 1165 CE1 PHE A 77 0.120 5.393 -1.518 1.00 0.09 C ATOM 1166 CE2 PHE A 77 0.909 6.992 -3.185 1.00 0.15 C ATOM 1167 CZ PHE A 77 0.646 6.663 -1.843 1.00 0.12 C ATOM 0 H PHE A 77 2.133 4.198 -6.075 1.00 0.09 H new ATOM 0 HA PHE A 77 1.137 2.401 -3.952 1.00 0.09 H new ATOM 0 HB2 PHE A 77 -0.224 4.277 -5.926 1.00 0.10 H new ATOM 0 HB3 PHE A 77 -1.098 3.282 -4.778 1.00 0.10 H new ATOM 0 HD1 PHE A 77 -0.543 3.488 -2.289 1.00 0.09 H new ATOM 0 HD2 PHE A 77 0.853 6.308 -5.231 1.00 0.14 H new ATOM 0 HE1 PHE A 77 -0.082 5.139 -0.488 1.00 0.09 H new ATOM 0 HE2 PHE A 77 1.311 7.963 -3.434 1.00 0.15 H new ATOM 0 HZ PHE A 77 0.846 7.381 -1.061 1.00 0.12 H new ATOM 1177 N GLN A 78 0.490 0.452 -5.333 1.00 0.07 N ATOM 1178 CA GLN A 78 0.148 -0.749 -6.140 1.00 0.07 C ATOM 1179 C GLN A 78 -1.152 -1.318 -5.588 1.00 0.06 C ATOM 1180 O GLN A 78 -1.333 -1.427 -4.392 1.00 0.07 O ATOM 1181 CB GLN A 78 1.280 -1.770 -6.017 1.00 0.08 C ATOM 1182 CG GLN A 78 2.623 -1.068 -6.241 1.00 0.12 C ATOM 1183 CD GLN A 78 3.713 -2.108 -6.513 1.00 0.14 C ATOM 1184 OE1 GLN A 78 3.429 -3.194 -6.977 1.00 0.81 O ATOM 1185 NE2 GLN A 78 4.955 -1.818 -6.242 1.00 1.03 N ATOM 0 H GLN A 78 0.588 0.279 -4.333 1.00 0.07 H new ATOM 0 HA GLN A 78 0.024 -0.499 -7.194 1.00 0.07 H new ATOM 0 HB2 GLN A 78 1.260 -2.235 -5.031 1.00 0.08 H new ATOM 0 HB3 GLN A 78 1.147 -2.567 -6.748 1.00 0.08 H new ATOM 0 HG2 GLN A 78 2.548 -0.379 -7.082 1.00 0.12 H new ATOM 0 HG3 GLN A 78 2.884 -0.475 -5.365 1.00 0.12 H new ATOM 0 HE21 GLN A 78 5.192 -0.906 -5.852 1.00 1.03 H new ATOM 0 HE22 GLN A 78 5.689 -2.503 -6.420 1.00 1.03 H new ATOM 1194 N PHE A 79 -2.073 -1.644 -6.453 1.00 0.06 N ATOM 1195 CA PHE A 79 -3.393 -2.167 -5.996 1.00 0.07 C ATOM 1196 C PHE A 79 -3.493 -3.655 -6.303 1.00 0.07 C ATOM 1197 O PHE A 79 -3.288 -4.089 -7.419 1.00 0.09 O ATOM 1198 CB PHE A 79 -4.501 -1.413 -6.736 1.00 0.08 C ATOM 1199 CG PHE A 79 -4.477 0.035 -6.307 1.00 0.08 C ATOM 1200 CD1 PHE A 79 -3.428 0.865 -6.726 1.00 0.09 C ATOM 1201 CD2 PHE A 79 -5.486 0.549 -5.477 1.00 0.09 C ATOM 1202 CE1 PHE A 79 -3.382 2.212 -6.323 1.00 0.11 C ATOM 1203 CE2 PHE A 79 -5.444 1.893 -5.065 1.00 0.10 C ATOM 1204 CZ PHE A 79 -4.394 2.725 -5.488 1.00 0.11 C ATOM 0 H PHE A 79 -1.967 -1.570 -7.465 1.00 0.06 H new ATOM 0 HA PHE A 79 -3.497 -2.022 -4.921 1.00 0.07 H new ATOM 0 HB2 PHE A 79 -4.355 -1.490 -7.813 1.00 0.08 H new ATOM 0 HB3 PHE A 79 -5.472 -1.856 -6.514 1.00 0.08 H new ATOM 0 HD1 PHE A 79 -2.651 0.468 -7.362 1.00 0.09 H new ATOM 0 HD2 PHE A 79 -6.296 -0.089 -5.154 1.00 0.09 H new ATOM 0 HE1 PHE A 79 -2.575 2.850 -6.652 1.00 0.11 H new ATOM 0 HE2 PHE A 79 -6.219 2.286 -4.423 1.00 0.10 H new ATOM 0 HZ PHE A 79 -4.363 3.758 -5.173 1.00 0.11 H new ATOM 1214 N PHE A 80 -3.818 -4.436 -5.307 1.00 0.07 N ATOM 1215 CA PHE A 80 -3.954 -5.909 -5.495 1.00 0.08 C ATOM 1216 C PHE A 80 -5.341 -6.327 -5.021 1.00 0.11 C ATOM 1217 O PHE A 80 -5.974 -5.648 -4.237 1.00 0.15 O ATOM 1218 CB PHE A 80 -2.892 -6.636 -4.663 1.00 0.09 C ATOM 1219 CG PHE A 80 -1.535 -6.482 -5.313 1.00 0.09 C ATOM 1220 CD1 PHE A 80 -1.146 -7.350 -6.351 1.00 0.14 C ATOM 1221 CD2 PHE A 80 -0.655 -5.474 -4.875 1.00 0.09 C ATOM 1222 CE1 PHE A 80 0.122 -7.210 -6.949 1.00 0.17 C ATOM 1223 CE2 PHE A 80 0.610 -5.334 -5.472 1.00 0.11 C ATOM 1224 CZ PHE A 80 0.999 -6.200 -6.508 1.00 0.14 C ATOM 0 H PHE A 80 -3.997 -4.110 -4.357 1.00 0.07 H new ATOM 0 HA PHE A 80 -3.819 -6.165 -6.546 1.00 0.08 H new ATOM 0 HB2 PHE A 80 -2.869 -6.230 -3.652 1.00 0.09 H new ATOM 0 HB3 PHE A 80 -3.146 -7.693 -4.576 1.00 0.09 H new ATOM 0 HD1 PHE A 80 -1.820 -8.123 -6.689 1.00 0.14 H new ATOM 0 HD2 PHE A 80 -0.952 -4.807 -4.079 1.00 0.09 H new ATOM 0 HE1 PHE A 80 0.421 -7.876 -7.745 1.00 0.17 H new ATOM 0 HE2 PHE A 80 1.283 -4.560 -5.134 1.00 0.11 H new ATOM 0 HZ PHE A 80 1.971 -6.091 -6.966 1.00 0.14 H new ATOM 1234 N LYS A 81 -5.820 -7.438 -5.495 1.00 0.11 N ATOM 1235 CA LYS A 81 -7.168 -7.909 -5.083 1.00 0.14 C ATOM 1236 C LYS A 81 -7.206 -9.425 -5.252 1.00 0.14 C ATOM 1237 O LYS A 81 -6.963 -9.940 -6.324 1.00 0.15 O ATOM 1238 CB LYS A 81 -8.230 -7.242 -5.973 1.00 0.20 C ATOM 1239 CG LYS A 81 -9.602 -7.282 -5.293 1.00 0.33 C ATOM 1240 CD LYS A 81 -10.581 -6.410 -6.083 1.00 0.60 C ATOM 1241 CE LYS A 81 -11.941 -6.409 -5.386 1.00 0.72 C ATOM 1242 NZ LYS A 81 -12.584 -7.744 -5.549 1.00 1.48 N ATOM 0 H LYS A 81 -5.333 -8.045 -6.155 1.00 0.11 H new ATOM 0 HA LYS A 81 -7.374 -7.648 -4.045 1.00 0.14 H new ATOM 0 HB2 LYS A 81 -7.947 -6.209 -6.174 1.00 0.20 H new ATOM 0 HB3 LYS A 81 -8.279 -7.752 -6.935 1.00 0.20 H new ATOM 0 HG2 LYS A 81 -9.967 -8.308 -5.245 1.00 0.33 H new ATOM 0 HG3 LYS A 81 -9.523 -6.923 -4.267 1.00 0.33 H new ATOM 0 HD2 LYS A 81 -10.198 -5.392 -6.158 1.00 0.60 H new ATOM 0 HD3 LYS A 81 -10.682 -6.788 -7.100 1.00 0.60 H new ATOM 0 HE2 LYS A 81 -11.819 -6.179 -4.328 1.00 0.72 H new ATOM 0 HE3 LYS A 81 -12.578 -5.632 -5.809 1.00 0.72 H new ATOM 0 HZ1 LYS A 81 -13.617 -7.631 -5.575 1.00 1.48 H new ATOM 0 HZ2 LYS A 81 -12.261 -8.179 -6.437 1.00 1.48 H new ATOM 0 HZ3 LYS A 81 -12.323 -8.355 -4.749 1.00 1.48 H new ATOM 1256 N LYS A 82 -7.483 -10.142 -4.198 1.00 0.16 N ATOM 1257 CA LYS A 82 -7.515 -11.628 -4.289 1.00 0.20 C ATOM 1258 C LYS A 82 -6.172 -12.144 -4.821 1.00 0.20 C ATOM 1259 O LYS A 82 -6.097 -13.200 -5.417 1.00 0.23 O ATOM 1260 CB LYS A 82 -8.650 -12.070 -5.227 1.00 0.21 C ATOM 1261 CG LYS A 82 -9.990 -12.012 -4.486 1.00 0.24 C ATOM 1262 CD LYS A 82 -11.112 -12.530 -5.395 1.00 0.36 C ATOM 1263 CE LYS A 82 -11.238 -11.649 -6.650 1.00 1.19 C ATOM 1264 NZ LYS A 82 -10.378 -12.205 -7.733 1.00 1.67 N ATOM 0 H LYS A 82 -7.689 -9.761 -3.275 1.00 0.16 H new ATOM 0 HA LYS A 82 -7.691 -12.042 -3.296 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.681 -11.424 -6.104 1.00 0.21 H new ATOM 0 HB3 LYS A 82 -8.465 -13.083 -5.584 1.00 0.21 H new ATOM 0 HG2 LYS A 82 -9.940 -12.612 -3.578 1.00 0.24 H new ATOM 0 HG3 LYS A 82 -10.202 -10.988 -4.180 1.00 0.24 H new ATOM 0 HD2 LYS A 82 -10.906 -13.560 -5.686 1.00 0.36 H new ATOM 0 HD3 LYS A 82 -12.056 -12.535 -4.851 1.00 0.36 H new ATOM 0 HE2 LYS A 82 -12.277 -11.611 -6.979 1.00 1.19 H new ATOM 0 HE3 LYS A 82 -10.938 -10.626 -6.421 1.00 1.19 H new ATOM 0 HZ1 LYS A 82 -10.883 -12.150 -8.640 1.00 1.67 H new ATOM 0 HZ2 LYS A 82 -9.497 -11.656 -7.793 1.00 1.67 H new ATOM 0 HZ3 LYS A 82 -10.153 -13.198 -7.522 1.00 1.67 H new ATOM 1278 N GLY A 83 -5.110 -11.418 -4.595 1.00 0.19 N ATOM 1279 CA GLY A 83 -3.771 -11.879 -5.072 1.00 0.21 C ATOM 1280 C GLY A 83 -3.556 -11.470 -6.532 1.00 0.19 C ATOM 1281 O GLY A 83 -2.570 -11.835 -7.141 1.00 0.22 O ATOM 0 H GLY A 83 -5.110 -10.526 -4.101 1.00 0.19 H new ATOM 0 HA2 GLY A 83 -2.988 -11.449 -4.448 1.00 0.21 H new ATOM 0 HA3 GLY A 83 -3.697 -12.962 -4.976 1.00 0.21 H new ATOM 1285 N GLN A 84 -4.469 -10.720 -7.101 1.00 0.16 N ATOM 1286 CA GLN A 84 -4.318 -10.287 -8.531 1.00 0.17 C ATOM 1287 C GLN A 84 -4.091 -8.772 -8.599 1.00 0.16 C ATOM 1288 O GLN A 84 -4.610 -8.020 -7.799 1.00 0.14 O ATOM 1289 CB GLN A 84 -5.593 -10.634 -9.299 1.00 0.19 C ATOM 1290 CG GLN A 84 -5.881 -12.128 -9.157 1.00 0.23 C ATOM 1291 CD GLN A 84 -7.212 -12.458 -9.834 1.00 1.19 C ATOM 1292 OE1 GLN A 84 -7.352 -13.493 -10.454 1.00 1.86 O ATOM 1293 NE2 GLN A 84 -8.203 -11.613 -9.741 1.00 2.08 N ATOM 0 H GLN A 84 -5.315 -10.387 -6.638 1.00 0.16 H new ATOM 0 HA GLN A 84 -3.463 -10.800 -8.971 1.00 0.17 H new ATOM 0 HB2 GLN A 84 -6.431 -10.053 -8.915 1.00 0.19 H new ATOM 0 HB3 GLN A 84 -5.479 -10.373 -10.351 1.00 0.19 H new ATOM 0 HG2 GLN A 84 -5.077 -12.709 -9.609 1.00 0.23 H new ATOM 0 HG3 GLN A 84 -5.919 -12.403 -8.103 1.00 0.23 H new ATOM 0 HE21 GLN A 84 -8.085 -10.744 -9.220 1.00 2.08 H new ATOM 0 HE22 GLN A 84 -9.095 -11.822 -10.189 1.00 2.08 H new ATOM 1302 N LYS A 85 -3.323 -8.322 -9.559 1.00 0.17 N ATOM 1303 CA LYS A 85 -3.061 -6.856 -9.694 1.00 0.17 C ATOM 1304 C LYS A 85 -4.185 -6.217 -10.511 1.00 0.16 C ATOM 1305 O LYS A 85 -4.707 -6.813 -11.433 1.00 0.19 O ATOM 1306 CB LYS A 85 -1.721 -6.636 -10.403 1.00 0.20 C ATOM 1307 CG LYS A 85 -1.496 -5.132 -10.630 1.00 0.25 C ATOM 1308 CD LYS A 85 -0.008 -4.854 -10.868 1.00 0.30 C ATOM 1309 CE LYS A 85 0.499 -5.718 -12.026 1.00 0.89 C ATOM 1310 NZ LYS A 85 -0.475 -5.666 -13.152 1.00 1.70 N ATOM 0 H LYS A 85 -2.865 -8.908 -10.257 1.00 0.17 H new ATOM 0 HA LYS A 85 -3.022 -6.399 -8.705 1.00 0.17 H new ATOM 0 HB2 LYS A 85 -0.909 -7.049 -9.804 1.00 0.20 H new ATOM 0 HB3 LYS A 85 -1.713 -7.163 -11.357 1.00 0.20 H new ATOM 0 HG2 LYS A 85 -2.079 -4.794 -11.487 1.00 0.25 H new ATOM 0 HG3 LYS A 85 -1.846 -4.569 -9.765 1.00 0.25 H new ATOM 0 HD2 LYS A 85 0.143 -3.799 -11.096 1.00 0.30 H new ATOM 0 HD3 LYS A 85 0.561 -5.070 -9.964 1.00 0.30 H new ATOM 0 HE2 LYS A 85 1.474 -5.362 -12.359 1.00 0.89 H new ATOM 0 HE3 LYS A 85 0.632 -6.748 -11.694 1.00 0.89 H new ATOM 0 HZ1 LYS A 85 0.022 -5.836 -14.049 1.00 1.70 H new ATOM 0 HZ2 LYS A 85 -1.203 -6.396 -13.016 1.00 1.70 H new ATOM 0 HZ3 LYS A 85 -0.926 -4.729 -13.178 1.00 1.70 H new ATOM 1324 N VAL A 86 -4.576 -5.014 -10.164 1.00 0.15 N ATOM 1325 CA VAL A 86 -5.685 -4.324 -10.899 1.00 0.16 C ATOM 1326 C VAL A 86 -5.241 -2.924 -11.338 1.00 0.18 C ATOM 1327 O VAL A 86 -5.743 -2.385 -12.305 1.00 0.26 O ATOM 1328 CB VAL A 86 -6.903 -4.210 -9.976 1.00 0.16 C ATOM 1329 CG1 VAL A 86 -7.528 -5.592 -9.778 1.00 0.19 C ATOM 1330 CG2 VAL A 86 -6.474 -3.650 -8.616 1.00 0.17 C ATOM 0 H VAL A 86 -4.172 -4.476 -9.397 1.00 0.15 H new ATOM 0 HA VAL A 86 -5.943 -4.904 -11.785 1.00 0.16 H new ATOM 0 HB VAL A 86 -7.632 -3.539 -10.430 1.00 0.16 H new ATOM 0 HG11 VAL A 86 -8.394 -5.509 -9.121 1.00 0.19 H new ATOM 0 HG12 VAL A 86 -7.841 -5.991 -10.743 1.00 0.19 H new ATOM 0 HG13 VAL A 86 -6.795 -6.262 -9.329 1.00 0.19 H new ATOM 0 HG21 VAL A 86 -7.344 -3.571 -7.964 1.00 0.17 H new ATOM 0 HG22 VAL A 86 -5.740 -4.317 -8.163 1.00 0.17 H new ATOM 0 HG23 VAL A 86 -6.032 -2.663 -8.752 1.00 0.17 H new ATOM 1340 N GLY A 87 -4.309 -2.322 -10.645 1.00 0.15 N ATOM 1341 CA GLY A 87 -3.858 -0.956 -11.050 1.00 0.18 C ATOM 1342 C GLY A 87 -2.652 -0.524 -10.212 1.00 0.10 C ATOM 1343 O GLY A 87 -2.245 -1.204 -9.292 1.00 0.08 O ATOM 0 H GLY A 87 -3.845 -2.712 -9.825 1.00 0.15 H new ATOM 0 HA2 GLY A 87 -3.595 -0.951 -12.108 1.00 0.18 H new ATOM 0 HA3 GLY A 87 -4.673 -0.244 -10.921 1.00 0.18 H new ATOM 1347 N GLU A 88 -2.076 0.608 -10.531 1.00 0.10 N ATOM 1348 CA GLU A 88 -0.892 1.093 -9.763 1.00 0.10 C ATOM 1349 C GLU A 88 -0.512 2.499 -10.224 1.00 0.10 C ATOM 1350 O GLU A 88 -0.737 2.873 -11.358 1.00 0.11 O ATOM 1351 CB GLU A 88 0.295 0.149 -9.989 1.00 0.17 C ATOM 1352 CG GLU A 88 0.531 -0.066 -11.490 1.00 0.25 C ATOM 1353 CD GLU A 88 1.212 1.166 -12.092 1.00 1.25 C ATOM 1354 OE1 GLU A 88 2.204 1.603 -11.532 1.00 1.94 O ATOM 1355 OE2 GLU A 88 0.730 1.652 -13.102 1.00 2.04 O ATOM 0 H GLU A 88 -2.376 1.217 -11.292 1.00 0.10 H new ATOM 0 HA GLU A 88 -1.144 1.115 -8.703 1.00 0.10 H new ATOM 0 HB2 GLU A 88 1.191 0.566 -9.530 1.00 0.17 H new ATOM 0 HB3 GLU A 88 0.104 -0.808 -9.504 1.00 0.17 H new ATOM 0 HG2 GLU A 88 1.152 -0.948 -11.647 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.418 -0.250 -11.994 1.00 0.25 H new ATOM 1362 N PHE A 89 0.084 3.275 -9.359 1.00 0.09 N ATOM 1363 CA PHE A 89 0.500 4.648 -9.760 1.00 0.09 C ATOM 1364 C PHE A 89 1.407 5.260 -8.686 1.00 0.09 C ATOM 1365 O PHE A 89 1.116 5.214 -7.512 1.00 0.12 O ATOM 1366 CB PHE A 89 -0.738 5.538 -9.997 1.00 0.09 C ATOM 1367 CG PHE A 89 -1.364 5.980 -8.687 1.00 0.09 C ATOM 1368 CD1 PHE A 89 -0.751 6.985 -7.911 1.00 0.12 C ATOM 1369 CD2 PHE A 89 -2.570 5.396 -8.249 1.00 0.10 C ATOM 1370 CE1 PHE A 89 -1.340 7.399 -6.705 1.00 0.14 C ATOM 1371 CE2 PHE A 89 -3.159 5.813 -7.042 1.00 0.10 C ATOM 1372 CZ PHE A 89 -2.543 6.816 -6.270 1.00 0.11 C ATOM 0 H PHE A 89 0.300 3.018 -8.396 1.00 0.09 H new ATOM 0 HA PHE A 89 1.060 4.586 -10.693 1.00 0.09 H new ATOM 0 HB2 PHE A 89 -0.452 6.414 -10.579 1.00 0.09 H new ATOM 0 HB3 PHE A 89 -1.473 4.991 -10.587 1.00 0.09 H new ATOM 0 HD1 PHE A 89 0.172 7.437 -8.244 1.00 0.12 H new ATOM 0 HD2 PHE A 89 -3.043 4.627 -8.842 1.00 0.10 H new ATOM 0 HE1 PHE A 89 -0.868 8.167 -6.110 1.00 0.14 H new ATOM 0 HE2 PHE A 89 -4.083 5.364 -6.708 1.00 0.10 H new ATOM 0 HZ PHE A 89 -2.995 7.138 -5.343 1.00 0.11 H new ATOM 1382 N SER A 90 2.509 5.841 -9.088 1.00 0.13 N ATOM 1383 CA SER A 90 3.442 6.476 -8.104 1.00 0.14 C ATOM 1384 C SER A 90 3.255 7.994 -8.158 1.00 0.14 C ATOM 1385 O SER A 90 2.276 8.489 -8.681 1.00 0.17 O ATOM 1386 CB SER A 90 4.884 6.127 -8.475 1.00 0.15 C ATOM 1387 OG SER A 90 5.321 6.987 -9.520 1.00 0.16 O ATOM 0 H SER A 90 2.806 5.904 -10.062 1.00 0.13 H new ATOM 0 HA SER A 90 3.230 6.111 -7.099 1.00 0.14 H new ATOM 0 HB2 SER A 90 5.532 6.234 -7.605 1.00 0.15 H new ATOM 0 HB3 SER A 90 4.948 5.087 -8.794 1.00 0.15 H new ATOM 0 HG SER A 90 6.053 7.552 -9.194 1.00 0.16 H new ATOM 1393 N GLY A 91 4.185 8.738 -7.626 1.00 0.12 N ATOM 1394 CA GLY A 91 4.060 10.227 -7.651 1.00 0.13 C ATOM 1395 C GLY A 91 3.206 10.689 -6.471 1.00 0.13 C ATOM 1396 O GLY A 91 2.100 10.226 -6.272 1.00 0.13 O ATOM 0 H GLY A 91 5.027 8.381 -7.174 1.00 0.12 H new ATOM 0 HA2 GLY A 91 5.047 10.686 -7.600 1.00 0.13 H new ATOM 0 HA3 GLY A 91 3.607 10.548 -8.589 1.00 0.13 H new ATOM 1400 N ALA A 92 3.715 11.591 -5.678 1.00 0.15 N ATOM 1401 CA ALA A 92 2.933 12.072 -4.500 1.00 0.17 C ATOM 1402 C ALA A 92 1.543 12.545 -4.937 1.00 0.15 C ATOM 1403 O ALA A 92 1.353 13.687 -5.308 1.00 0.16 O ATOM 1404 CB ALA A 92 3.680 13.236 -3.832 1.00 0.20 C ATOM 0 H ALA A 92 4.635 12.016 -5.792 1.00 0.15 H new ATOM 0 HA ALA A 92 2.820 11.249 -3.794 1.00 0.17 H new ATOM 0 HB1 ALA A 92 3.110 13.588 -2.972 1.00 0.20 H new ATOM 0 HB2 ALA A 92 4.662 12.897 -3.503 1.00 0.20 H new ATOM 0 HB3 ALA A 92 3.798 14.050 -4.547 1.00 0.20 H new ATOM 1410 N ASN A 93 0.563 11.682 -4.860 1.00 0.14 N ATOM 1411 CA ASN A 93 -0.830 12.076 -5.231 1.00 0.13 C ATOM 1412 C ASN A 93 -1.787 11.426 -4.225 1.00 0.12 C ATOM 1413 O ASN A 93 -2.463 10.460 -4.521 1.00 0.12 O ATOM 1414 CB ASN A 93 -1.142 11.596 -6.655 1.00 0.14 C ATOM 1415 CG ASN A 93 -2.306 12.409 -7.226 1.00 0.16 C ATOM 1416 OD1 ASN A 93 -2.313 12.748 -8.392 1.00 1.04 O ATOM 1417 ND2 ASN A 93 -3.302 12.734 -6.446 1.00 1.15 N ATOM 0 H ASN A 93 0.668 10.715 -4.554 1.00 0.14 H new ATOM 0 HA ASN A 93 -0.943 13.160 -5.206 1.00 0.13 H new ATOM 0 HB2 ASN A 93 -0.262 11.707 -7.288 1.00 0.14 H new ATOM 0 HB3 ASN A 93 -1.396 10.536 -6.645 1.00 0.14 H new ATOM 0 HD21 ASN A 93 -4.085 13.272 -6.816 1.00 1.15 H new ATOM 0 HD22 ASN A 93 -3.297 12.449 -5.467 1.00 1.15 H new ATOM 1424 N LYS A 94 -1.821 11.940 -3.025 1.00 0.17 N ATOM 1425 CA LYS A 94 -2.698 11.351 -1.972 1.00 0.20 C ATOM 1426 C LYS A 94 -4.172 11.463 -2.370 1.00 0.18 C ATOM 1427 O LYS A 94 -4.970 10.602 -2.058 1.00 0.18 O ATOM 1428 CB LYS A 94 -2.467 12.087 -0.644 1.00 0.29 C ATOM 1429 CG LYS A 94 -2.416 13.617 -0.881 1.00 0.38 C ATOM 1430 CD LYS A 94 -0.955 14.103 -0.998 1.00 0.88 C ATOM 1431 CE LYS A 94 -0.388 14.398 0.394 1.00 0.78 C ATOM 1432 NZ LYS A 94 1.045 14.791 0.273 1.00 1.19 N ATOM 0 H LYS A 94 -1.275 12.748 -2.727 1.00 0.17 H new ATOM 0 HA LYS A 94 -2.448 10.296 -1.859 1.00 0.20 H new ATOM 0 HB2 LYS A 94 -3.266 11.847 0.057 1.00 0.29 H new ATOM 0 HB3 LYS A 94 -1.534 11.751 -0.191 1.00 0.29 H new ATOM 0 HG2 LYS A 94 -2.962 13.867 -1.791 1.00 0.38 H new ATOM 0 HG3 LYS A 94 -2.912 14.134 -0.059 1.00 0.38 H new ATOM 0 HD2 LYS A 94 -0.349 13.344 -1.493 1.00 0.88 H new ATOM 0 HD3 LYS A 94 -0.910 15.000 -1.616 1.00 0.88 H new ATOM 0 HE2 LYS A 94 -0.957 15.198 0.868 1.00 0.78 H new ATOM 0 HE3 LYS A 94 -0.483 13.519 1.031 1.00 0.78 H new ATOM 0 HZ1 LYS A 94 1.436 14.975 1.219 1.00 1.19 H new ATOM 0 HZ2 LYS A 94 1.579 14.021 -0.178 1.00 1.19 H new ATOM 0 HZ3 LYS A 94 1.121 15.651 -0.306 1.00 1.19 H new ATOM 1446 N GLU A 95 -4.549 12.512 -3.045 1.00 0.19 N ATOM 1447 CA GLU A 95 -5.975 12.658 -3.438 1.00 0.20 C ATOM 1448 C GLU A 95 -6.343 11.540 -4.417 1.00 0.17 C ATOM 1449 O GLU A 95 -7.486 11.143 -4.525 1.00 0.18 O ATOM 1450 CB GLU A 95 -6.177 14.014 -4.115 1.00 0.24 C ATOM 1451 CG GLU A 95 -5.550 15.115 -3.256 1.00 0.33 C ATOM 1452 CD GLU A 95 -5.883 16.482 -3.857 1.00 1.16 C ATOM 1453 OE1 GLU A 95 -7.041 16.864 -3.807 1.00 1.95 O ATOM 1454 OE2 GLU A 95 -4.974 17.124 -4.359 1.00 1.86 O ATOM 0 H GLU A 95 -3.934 13.270 -3.340 1.00 0.19 H new ATOM 0 HA GLU A 95 -6.609 12.595 -2.554 1.00 0.20 H new ATOM 0 HB2 GLU A 95 -5.723 14.009 -5.106 1.00 0.24 H new ATOM 0 HB3 GLU A 95 -7.241 14.208 -4.253 1.00 0.24 H new ATOM 0 HG2 GLU A 95 -5.926 15.053 -2.235 1.00 0.33 H new ATOM 0 HG3 GLU A 95 -4.469 14.981 -3.206 1.00 0.33 H new ATOM 1461 N LYS A 96 -5.376 11.032 -5.127 1.00 0.14 N ATOM 1462 CA LYS A 96 -5.649 9.940 -6.101 1.00 0.14 C ATOM 1463 C LYS A 96 -6.017 8.663 -5.351 1.00 0.12 C ATOM 1464 O LYS A 96 -6.878 7.919 -5.769 1.00 0.12 O ATOM 1465 CB LYS A 96 -4.403 9.697 -6.952 1.00 0.16 C ATOM 1466 CG LYS A 96 -4.717 8.684 -8.057 1.00 0.21 C ATOM 1467 CD LYS A 96 -3.558 8.630 -9.074 1.00 0.24 C ATOM 1468 CE LYS A 96 -3.762 9.688 -10.168 1.00 1.18 C ATOM 1469 NZ LYS A 96 -2.491 9.872 -10.922 1.00 2.05 N ATOM 0 H LYS A 96 -4.401 11.328 -5.074 1.00 0.14 H new ATOM 0 HA LYS A 96 -6.479 10.227 -6.746 1.00 0.14 H new ATOM 0 HB2 LYS A 96 -4.064 10.635 -7.392 1.00 0.16 H new ATOM 0 HB3 LYS A 96 -3.591 9.326 -6.326 1.00 0.16 H new ATOM 0 HG2 LYS A 96 -4.875 7.697 -7.622 1.00 0.21 H new ATOM 0 HG3 LYS A 96 -5.642 8.961 -8.563 1.00 0.21 H new ATOM 0 HD2 LYS A 96 -2.610 8.801 -8.565 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -3.504 7.638 -9.523 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -4.558 9.378 -10.845 1.00 1.18 H new ATOM 0 HE3 LYS A 96 -4.073 10.633 -9.722 1.00 1.18 H new ATOM 0 HZ1 LYS A 96 -2.628 10.588 -11.663 1.00 2.05 H new ATOM 0 HZ2 LYS A 96 -1.743 10.186 -10.271 1.00 2.05 H new ATOM 0 HZ3 LYS A 96 -2.213 8.970 -11.359 1.00 2.05 H new ATOM 1483 N LEU A 97 -5.376 8.393 -4.244 1.00 0.11 N ATOM 1484 CA LEU A 97 -5.710 7.152 -3.487 1.00 0.11 C ATOM 1485 C LEU A 97 -7.221 7.093 -3.270 1.00 0.11 C ATOM 1486 O LEU A 97 -7.833 6.047 -3.353 1.00 0.11 O ATOM 1487 CB LEU A 97 -5.023 7.168 -2.112 1.00 0.12 C ATOM 1488 CG LEU A 97 -3.507 6.967 -2.258 1.00 0.12 C ATOM 1489 CD1 LEU A 97 -2.830 7.360 -0.937 1.00 0.15 C ATOM 1490 CD2 LEU A 97 -3.180 5.485 -2.597 1.00 0.13 C ATOM 0 H LEU A 97 -4.643 8.972 -3.835 1.00 0.11 H new ATOM 0 HA LEU A 97 -5.368 6.288 -4.056 1.00 0.11 H new ATOM 0 HB2 LEU A 97 -5.222 8.116 -1.612 1.00 0.12 H new ATOM 0 HB3 LEU A 97 -5.440 6.382 -1.483 1.00 0.12 H new ATOM 0 HG LEU A 97 -3.137 7.591 -3.071 1.00 0.12 H new ATOM 0 HD11 LEU A 97 -1.752 7.222 -1.025 1.00 0.15 H new ATOM 0 HD12 LEU A 97 -3.045 8.405 -0.715 1.00 0.15 H new ATOM 0 HD13 LEU A 97 -3.211 6.732 -0.132 1.00 0.15 H new ATOM 0 HD21 LEU A 97 -2.101 5.364 -2.696 1.00 0.13 H new ATOM 0 HD22 LEU A 97 -3.546 4.840 -1.798 1.00 0.13 H new ATOM 0 HD23 LEU A 97 -3.664 5.211 -3.535 1.00 0.13 H new ATOM 1502 N GLU A 98 -7.824 8.214 -2.988 1.00 0.13 N ATOM 1503 CA GLU A 98 -9.295 8.231 -2.754 1.00 0.14 C ATOM 1504 C GLU A 98 -10.021 7.856 -4.048 1.00 0.13 C ATOM 1505 O GLU A 98 -10.830 6.949 -4.079 1.00 0.13 O ATOM 1506 CB GLU A 98 -9.717 9.637 -2.306 1.00 0.16 C ATOM 1507 CG GLU A 98 -11.113 9.597 -1.676 1.00 0.21 C ATOM 1508 CD GLU A 98 -12.159 9.336 -2.761 1.00 1.34 C ATOM 1509 OE1 GLU A 98 -12.177 10.079 -3.728 1.00 2.05 O ATOM 1510 OE2 GLU A 98 -12.925 8.400 -2.605 1.00 2.15 O ATOM 0 H GLU A 98 -7.362 9.120 -2.909 1.00 0.13 H new ATOM 0 HA GLU A 98 -9.555 7.511 -1.978 1.00 0.14 H new ATOM 0 HB2 GLU A 98 -8.997 10.029 -1.587 1.00 0.16 H new ATOM 0 HB3 GLU A 98 -9.715 10.314 -3.160 1.00 0.16 H new ATOM 0 HG2 GLU A 98 -11.158 8.815 -0.918 1.00 0.21 H new ATOM 0 HG3 GLU A 98 -11.323 10.541 -1.174 1.00 0.21 H new ATOM 1517 N ALA A 99 -9.742 8.551 -5.114 1.00 0.13 N ATOM 1518 CA ALA A 99 -10.415 8.247 -6.409 1.00 0.14 C ATOM 1519 C ALA A 99 -10.124 6.804 -6.836 1.00 0.12 C ATOM 1520 O ALA A 99 -10.997 6.103 -7.301 1.00 0.13 O ATOM 1521 CB ALA A 99 -9.901 9.205 -7.484 1.00 0.15 C ATOM 0 H ALA A 99 -9.073 9.321 -5.145 1.00 0.13 H new ATOM 0 HA ALA A 99 -11.491 8.369 -6.285 1.00 0.14 H new ATOM 0 HB1 ALA A 99 -10.392 8.985 -8.432 1.00 0.15 H new ATOM 0 HB2 ALA A 99 -10.121 10.232 -7.192 1.00 0.15 H new ATOM 0 HB3 ALA A 99 -8.824 9.082 -7.596 1.00 0.15 H new ATOM 1527 N THR A 100 -8.903 6.362 -6.697 1.00 0.11 N ATOM 1528 CA THR A 100 -8.560 4.970 -7.116 1.00 0.11 C ATOM 1529 C THR A 100 -9.247 3.962 -6.191 1.00 0.10 C ATOM 1530 O THR A 100 -9.822 2.988 -6.638 1.00 0.11 O ATOM 1531 CB THR A 100 -7.039 4.777 -7.053 1.00 0.11 C ATOM 1532 OG1 THR A 100 -6.399 5.930 -7.578 1.00 0.13 O ATOM 1533 CG2 THR A 100 -6.638 3.551 -7.878 1.00 0.12 C ATOM 0 H THR A 100 -8.129 6.903 -6.312 1.00 0.11 H new ATOM 0 HA THR A 100 -8.905 4.807 -8.137 1.00 0.11 H new ATOM 0 HB THR A 100 -6.735 4.627 -6.017 1.00 0.11 H new ATOM 0 HG1 THR A 100 -6.398 6.640 -6.902 1.00 0.13 H new ATOM 0 HG21 THR A 100 -5.557 3.418 -7.830 1.00 0.12 H new ATOM 0 HG22 THR A 100 -7.131 2.665 -7.477 1.00 0.12 H new ATOM 0 HG23 THR A 100 -6.940 3.696 -8.915 1.00 0.12 H new ATOM 1541 N ILE A 101 -9.192 4.185 -4.909 1.00 0.10 N ATOM 1542 CA ILE A 101 -9.844 3.234 -3.961 1.00 0.11 C ATOM 1543 C ILE A 101 -11.350 3.202 -4.237 1.00 0.13 C ATOM 1544 O ILE A 101 -11.934 2.153 -4.412 1.00 0.14 O ATOM 1545 CB ILE A 101 -9.582 3.689 -2.511 1.00 0.13 C ATOM 1546 CG1 ILE A 101 -8.107 3.410 -2.153 1.00 0.14 C ATOM 1547 CG2 ILE A 101 -10.503 2.917 -1.552 1.00 0.16 C ATOM 1548 CD1 ILE A 101 -7.678 4.245 -0.937 1.00 0.18 C ATOM 0 H ILE A 101 -8.726 4.982 -4.475 1.00 0.10 H new ATOM 0 HA ILE A 101 -9.431 2.235 -4.098 1.00 0.11 H new ATOM 0 HB ILE A 101 -9.786 4.756 -2.419 1.00 0.13 H new ATOM 0 HG12 ILE A 101 -7.974 2.350 -1.938 1.00 0.14 H new ATOM 0 HG13 ILE A 101 -7.470 3.645 -3.005 1.00 0.14 H new ATOM 0 HG21 ILE A 101 -10.316 3.241 -0.528 1.00 0.16 H new ATOM 0 HG22 ILE A 101 -11.544 3.113 -1.810 1.00 0.16 H new ATOM 0 HG23 ILE A 101 -10.304 1.849 -1.637 1.00 0.16 H new ATOM 0 HD11 ILE A 101 -6.635 4.034 -0.700 1.00 0.18 H new ATOM 0 HD12 ILE A 101 -7.791 5.305 -1.165 1.00 0.18 H new ATOM 0 HD13 ILE A 101 -8.303 3.989 -0.081 1.00 0.18 H new ATOM 1560 N ASN A 102 -11.983 4.341 -4.270 1.00 0.14 N ATOM 1561 CA ASN A 102 -13.451 4.372 -4.522 1.00 0.17 C ATOM 1562 C ASN A 102 -13.753 3.742 -5.885 1.00 0.18 C ATOM 1563 O ASN A 102 -14.878 3.400 -6.186 1.00 0.21 O ATOM 1564 CB ASN A 102 -13.935 5.828 -4.509 1.00 0.19 C ATOM 1565 CG ASN A 102 -15.457 5.865 -4.353 1.00 0.26 C ATOM 1566 OD1 ASN A 102 -16.095 4.836 -4.252 1.00 0.81 O ATOM 1567 ND2 ASN A 102 -16.070 7.017 -4.329 1.00 1.03 N ATOM 0 H ASN A 102 -11.547 5.253 -4.133 1.00 0.14 H new ATOM 0 HA ASN A 102 -13.967 3.808 -3.745 1.00 0.17 H new ATOM 0 HB2 ASN A 102 -13.463 6.371 -3.690 1.00 0.19 H new ATOM 0 HB3 ASN A 102 -13.642 6.327 -5.433 1.00 0.19 H new ATOM 0 HD21 ASN A 102 -17.084 7.053 -4.225 1.00 1.03 H new ATOM 0 HD22 ASN A 102 -15.535 7.881 -4.414 1.00 1.03 H new ATOM 1574 N GLU A 103 -12.755 3.597 -6.711 1.00 0.16 N ATOM 1575 CA GLU A 103 -12.977 3.001 -8.059 1.00 0.18 C ATOM 1576 C GLU A 103 -13.090 1.476 -7.956 1.00 0.19 C ATOM 1577 O GLU A 103 -14.093 0.890 -8.311 1.00 0.22 O ATOM 1578 CB GLU A 103 -11.792 3.355 -8.967 1.00 0.17 C ATOM 1579 CG GLU A 103 -12.191 3.168 -10.435 1.00 0.22 C ATOM 1580 CD GLU A 103 -10.941 3.205 -11.317 1.00 1.25 C ATOM 1581 OE1 GLU A 103 -10.150 4.120 -11.150 1.00 2.01 O ATOM 1582 OE2 GLU A 103 -10.795 2.319 -12.142 1.00 2.02 O ATOM 0 H GLU A 103 -11.792 3.866 -6.510 1.00 0.16 H new ATOM 0 HA GLU A 103 -13.903 3.399 -8.474 1.00 0.18 H new ATOM 0 HB2 GLU A 103 -11.483 4.386 -8.793 1.00 0.17 H new ATOM 0 HB3 GLU A 103 -10.937 2.722 -8.729 1.00 0.17 H new ATOM 0 HG2 GLU A 103 -12.710 2.218 -10.563 1.00 0.22 H new ATOM 0 HG3 GLU A 103 -12.884 3.953 -10.737 1.00 0.22 H new ATOM 1589 N LEU A 104 -12.045 0.832 -7.511 1.00 0.17 N ATOM 1590 CA LEU A 104 -12.048 -0.660 -7.421 1.00 0.19 C ATOM 1591 C LEU A 104 -12.505 -1.129 -6.034 1.00 0.19 C ATOM 1592 O LEU A 104 -12.265 -2.256 -5.648 1.00 0.21 O ATOM 1593 CB LEU A 104 -10.624 -1.161 -7.690 1.00 0.17 C ATOM 1594 CG LEU A 104 -10.174 -0.738 -9.103 1.00 0.20 C ATOM 1595 CD1 LEU A 104 -8.646 -0.777 -9.188 1.00 0.20 C ATOM 1596 CD2 LEU A 104 -10.755 -1.693 -10.156 1.00 0.35 C ATOM 0 H LEU A 104 -11.181 1.278 -7.203 1.00 0.17 H new ATOM 0 HA LEU A 104 -12.744 -1.062 -8.157 1.00 0.19 H new ATOM 0 HB2 LEU A 104 -9.940 -0.755 -6.945 1.00 0.17 H new ATOM 0 HB3 LEU A 104 -10.588 -2.246 -7.598 1.00 0.17 H new ATOM 0 HG LEU A 104 -10.534 0.273 -9.295 1.00 0.20 H new ATOM 0 HD11 LEU A 104 -8.329 -0.478 -10.187 1.00 0.20 H new ATOM 0 HD12 LEU A 104 -8.223 -0.092 -8.453 1.00 0.20 H new ATOM 0 HD13 LEU A 104 -8.296 -1.789 -8.984 1.00 0.20 H new ATOM 0 HD21 LEU A 104 -10.429 -1.382 -11.149 1.00 0.35 H new ATOM 0 HD22 LEU A 104 -10.405 -2.707 -9.960 1.00 0.35 H new ATOM 0 HD23 LEU A 104 -11.844 -1.669 -10.108 1.00 0.35 H new ATOM 1672 N PHE B 3 19.345 2.548 1.635 1.00 0.00 N ATOM 1673 CA PHE B 3 19.150 3.526 0.518 1.00 0.00 C ATOM 1674 C PHE B 3 18.975 2.762 -0.798 1.00 0.00 C ATOM 1675 O PHE B 3 19.478 1.669 -0.964 1.00 0.00 O ATOM 1676 CB PHE B 3 20.384 4.434 0.419 1.00 0.00 C ATOM 1677 CG PHE B 3 20.336 5.490 1.503 1.00 0.00 C ATOM 1678 CD1 PHE B 3 20.656 5.151 2.832 1.00 0.00 C ATOM 1679 CD2 PHE B 3 19.976 6.812 1.183 1.00 0.00 C ATOM 1680 CE1 PHE B 3 20.616 6.135 3.838 1.00 0.00 C ATOM 1681 CE2 PHE B 3 19.936 7.795 2.190 1.00 0.00 C ATOM 1682 CZ PHE B 3 20.257 7.456 3.516 1.00 0.00 C ATOM 0 HA PHE B 3 18.264 4.132 0.710 1.00 0.00 H new ATOM 0 HB2 PHE B 3 21.292 3.840 0.518 1.00 0.00 H new ATOM 0 HB3 PHE B 3 20.419 4.909 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE B 3 20.932 4.137 3.079 1.00 0.00 H new ATOM 0 HD2 PHE B 3 19.730 7.073 0.164 1.00 0.00 H new ATOM 0 HE1 PHE B 3 20.861 5.875 4.857 1.00 0.00 H new ATOM 0 HE2 PHE B 3 19.659 8.809 1.944 1.00 0.00 H new ATOM 0 HZ PHE B 3 20.228 8.211 4.288 1.00 0.00 H new ATOM 1692 N ARG B 4 18.266 3.331 -1.738 1.00 0.00 N ATOM 1693 CA ARG B 4 18.061 2.642 -3.046 1.00 0.00 C ATOM 1694 C ARG B 4 17.896 3.686 -4.157 1.00 0.00 C ATOM 1695 O ARG B 4 18.869 4.230 -4.642 1.00 0.00 O ATOM 1696 CB ARG B 4 16.815 1.749 -2.962 1.00 0.00 C ATOM 1697 CG ARG B 4 17.130 0.439 -2.200 1.00 0.00 C ATOM 1698 CD ARG B 4 16.291 -0.707 -2.774 1.00 0.00 C ATOM 1699 NE ARG B 4 16.839 -1.104 -4.101 1.00 0.00 N ATOM 1700 CZ ARG B 4 16.464 -2.228 -4.651 1.00 0.00 C ATOM 1701 NH1 ARG B 4 15.590 -2.988 -4.050 1.00 0.00 N ATOM 1702 NH2 ARG B 4 16.957 -2.587 -5.803 1.00 0.00 N ATOM 0 H ARG B 4 17.820 4.244 -1.656 1.00 0.00 H new ATOM 0 HA ARG B 4 18.927 2.021 -3.275 1.00 0.00 H new ATOM 0 HB2 ARG B 4 16.011 2.285 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG B 4 16.461 1.515 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG B 4 18.191 0.204 -2.285 1.00 0.00 H new ATOM 0 HG3 ARG B 4 16.915 0.564 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG B 4 16.304 -1.558 -2.093 1.00 0.00 H new ATOM 0 HD3 ARG B 4 15.251 -0.396 -2.876 1.00 0.00 H new ATOM 0 HE ARG B 4 17.506 -0.499 -4.580 1.00 0.00 H new ATOM 0 HH11 ARG B 4 15.200 -2.704 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.297 -3.866 -4.479 1.00 0.00 H new ATOM 0 HH21 ARG B 4 17.636 -1.990 -6.275 1.00 0.00 H new ATOM 0 HH22 ARG B 4 16.664 -3.465 -6.232 1.00 0.00 H new ATOM 1716 N TYR B 5 16.678 3.974 -4.572 1.00 0.00 N ATOM 1717 CA TYR B 5 16.467 4.987 -5.663 1.00 0.00 C ATOM 1718 C TYR B 5 15.846 6.269 -5.092 1.00 0.00 C ATOM 1719 O TYR B 5 15.699 6.427 -3.896 1.00 0.00 O ATOM 1720 CB TYR B 5 15.577 4.401 -6.775 1.00 0.00 C ATOM 1721 CG TYR B 5 14.481 3.539 -6.200 1.00 0.00 C ATOM 1722 CD1 TYR B 5 14.740 2.201 -5.858 1.00 0.00 C ATOM 1723 CD2 TYR B 5 13.191 4.067 -6.040 1.00 0.00 C ATOM 1724 CE1 TYR B 5 13.707 1.392 -5.344 1.00 0.00 C ATOM 1725 CE2 TYR B 5 12.159 3.262 -5.535 1.00 0.00 C ATOM 1726 CZ TYR B 5 12.416 1.925 -5.180 1.00 0.00 C ATOM 1727 OH TYR B 5 11.401 1.134 -4.683 1.00 0.00 O ATOM 0 H TYR B 5 15.825 3.553 -4.203 1.00 0.00 H new ATOM 0 HA TYR B 5 17.436 5.239 -6.095 1.00 0.00 H new ATOM 0 HB2 TYR B 5 15.138 5.211 -7.358 1.00 0.00 H new ATOM 0 HB3 TYR B 5 16.187 3.810 -7.459 1.00 0.00 H new ATOM 0 HD1 TYR B 5 15.731 1.792 -5.989 1.00 0.00 H new ATOM 0 HD2 TYR B 5 12.992 5.095 -6.306 1.00 0.00 H new ATOM 0 HE1 TYR B 5 13.906 0.365 -5.077 1.00 0.00 H new ATOM 0 HE2 TYR B 5 11.166 3.669 -5.419 1.00 0.00 H new ATOM 0 HH TYR B 5 11.747 0.236 -4.498 1.00 0.00 H new ATOM 1737 N VAL B 6 15.533 7.208 -5.949 1.00 0.00 N ATOM 1738 CA VAL B 6 14.981 8.515 -5.481 1.00 0.00 C ATOM 1739 C VAL B 6 13.524 8.399 -5.037 1.00 0.00 C ATOM 1740 O VAL B 6 12.761 7.596 -5.538 1.00 0.00 O ATOM 1741 CB VAL B 6 15.054 9.534 -6.626 1.00 0.00 C ATOM 1742 CG1 VAL B 6 14.967 10.954 -6.065 1.00 0.00 C ATOM 1743 CG2 VAL B 6 16.369 9.365 -7.374 1.00 0.00 C ATOM 0 H VAL B 6 15.637 7.124 -6.960 1.00 0.00 H new ATOM 0 HA VAL B 6 15.578 8.834 -4.626 1.00 0.00 H new ATOM 0 HB VAL B 6 14.221 9.366 -7.308 1.00 0.00 H new ATOM 0 HG11 VAL B 6 15.019 11.672 -6.883 1.00 0.00 H new ATOM 0 HG12 VAL B 6 14.024 11.078 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL B 6 15.796 11.125 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL B 6 16.421 10.089 -8.187 1.00 0.00 H new ATOM 0 HG22 VAL B 6 17.201 9.529 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL B 6 16.428 8.356 -7.782 1.00 0.00 H new ATOM 1753 N CYS B 7 13.132 9.253 -4.126 1.00 0.00 N ATOM 1754 CA CYS B 7 11.720 9.279 -3.653 1.00 0.00 C ATOM 1755 C CYS B 7 11.011 10.440 -4.347 1.00 0.00 C ATOM 1756 O CYS B 7 11.121 11.579 -3.940 1.00 0.00 O ATOM 1757 CB CYS B 7 11.686 9.480 -2.134 1.00 0.00 C ATOM 1758 SG CYS B 7 13.003 8.514 -1.357 1.00 0.00 S ATOM 0 H CYS B 7 13.741 9.942 -3.685 1.00 0.00 H new ATOM 0 HA CYS B 7 11.223 8.338 -3.889 1.00 0.00 H new ATOM 0 HB2 CYS B 7 11.808 10.536 -1.895 1.00 0.00 H new ATOM 0 HB3 CYS B 7 10.717 9.174 -1.739 1.00 0.00 H new ATOM 1763 N GLU B 8 10.303 10.168 -5.409 1.00 0.00 N ATOM 1764 CA GLU B 8 9.612 11.268 -6.141 1.00 0.00 C ATOM 1765 C GLU B 8 8.275 11.594 -5.470 1.00 0.00 C ATOM 1766 O GLU B 8 7.259 11.777 -6.119 1.00 0.00 O ATOM 1767 CB GLU B 8 9.378 10.842 -7.596 1.00 0.00 C ATOM 1768 CG GLU B 8 8.964 9.366 -7.638 1.00 0.00 C ATOM 1769 CD GLU B 8 8.304 9.055 -8.984 1.00 0.00 C ATOM 1770 OE1 GLU B 8 9.006 9.058 -9.981 1.00 0.00 O ATOM 1771 OE2 GLU B 8 7.106 8.817 -8.994 1.00 0.00 O ATOM 0 H GLU B 8 10.173 9.235 -5.801 1.00 0.00 H new ATOM 0 HA GLU B 8 10.237 12.160 -6.120 1.00 0.00 H new ATOM 0 HB2 GLU B 8 8.602 11.461 -8.047 1.00 0.00 H new ATOM 0 HB3 GLU B 8 10.286 10.993 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU B 8 9.837 8.729 -7.494 1.00 0.00 H new ATOM 0 HG3 GLU B 8 8.273 9.149 -6.824 1.00 0.00 H new ATOM 1778 N GLY B 9 8.275 11.712 -4.176 1.00 0.00 N ATOM 1779 CA GLY B 9 7.019 12.078 -3.472 1.00 0.00 C ATOM 1780 C GLY B 9 6.764 13.570 -3.758 1.00 0.00 C ATOM 1781 O GLY B 9 6.799 13.960 -4.908 1.00 0.00 O ATOM 0 H GLY B 9 9.088 11.571 -3.576 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.187 11.469 -3.826 1.00 0.00 H new ATOM 0 HA3 GLY B 9 7.111 11.900 -2.401 1.00 0.00 H new ATOM 1785 N PRO B 10 6.541 14.387 -2.745 1.00 0.00 N ATOM 1786 CA PRO B 10 6.327 15.827 -2.980 1.00 0.00 C ATOM 1787 C PRO B 10 7.639 16.457 -3.472 1.00 0.00 C ATOM 1788 O PRO B 10 7.883 17.634 -3.293 1.00 0.00 O ATOM 1789 CB PRO B 10 5.915 16.399 -1.604 1.00 0.00 C ATOM 1790 CG PRO B 10 6.039 15.249 -0.564 1.00 0.00 C ATOM 1791 CD PRO B 10 6.465 13.975 -1.325 1.00 0.00 C ATOM 0 HA PRO B 10 5.568 16.031 -3.735 1.00 0.00 H new ATOM 0 HB2 PRO B 10 6.557 17.236 -1.329 1.00 0.00 H new ATOM 0 HB3 PRO B 10 4.894 16.778 -1.637 1.00 0.00 H new ATOM 0 HG2 PRO B 10 6.774 15.502 0.201 1.00 0.00 H new ATOM 0 HG3 PRO B 10 5.089 15.090 -0.053 1.00 0.00 H new ATOM 0 HD2 PRO B 10 7.427 13.605 -0.969 1.00 0.00 H new ATOM 0 HD3 PRO B 10 5.742 13.171 -1.185 1.00 0.00 H new ATOM 1799 N SER B 11 8.491 15.670 -4.077 1.00 0.00 N ATOM 1800 CA SER B 11 9.800 16.190 -4.573 1.00 0.00 C ATOM 1801 C SER B 11 9.698 16.538 -6.059 1.00 0.00 C ATOM 1802 O SER B 11 10.132 17.589 -6.489 1.00 0.00 O ATOM 1803 CB SER B 11 10.866 15.109 -4.380 1.00 0.00 C ATOM 1804 OG SER B 11 12.143 15.648 -4.691 1.00 0.00 O ATOM 0 H SER B 11 8.333 14.677 -4.250 1.00 0.00 H new ATOM 0 HA SER B 11 10.068 17.088 -4.016 1.00 0.00 H new ATOM 0 HB2 SER B 11 10.852 14.748 -3.352 1.00 0.00 H new ATOM 0 HB3 SER B 11 10.653 14.254 -5.022 1.00 0.00 H new ATOM 0 HG SER B 11 12.828 14.958 -4.567 1.00 0.00 H new