USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 756 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -161:sc= -0.0766 (180deg=-0.552) USER MOD Single : A 1 MET N :NH3+ -129:sc=-0.00454 (180deg=-0.179) USER MOD Single : A 3 SER OG : rot 63:sc= 0.0756 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 162:sc= -0.115 (180deg=-0.566) USER MOD Single : A 12 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 16 HIS : no HD1:sc= -0.0462 K(o=-0.046,f=-0.66) USER MOD Single : A 18 THR OG1 : rot -97:sc= 0.81 USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= -0.0282 (180deg=-0.248) USER MOD Single : A 26 LYS NZ :NH3+ -126:sc= -1.88 (180deg=-6.03!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.213 USER MOD Single : A 34 GLN : amide:sc= -0.155 X(o=-0.16,f=-0.33) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -54:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -1.69 K(o=-1.7,f=-6.4!) USER MOD Single : A 54 GLN : amide:sc= -0.08 X(o=-0.08,f=-0.19) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 160:sc= -0.425 USER MOD Single : A 63 THR OG1 : rot -87:sc= 0.321 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 GLN : amide:sc= -2.21! C(o=-2.2!,f=-5.8!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.3!) USER MOD Single : A 74 TYR OH : rot 134:sc= 0.492 USER MOD Single : A 75 MET CE :methyl 152:sc= -0.0607 (180deg=-1.34) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.329) USER MOD Single : A 86 LYS NZ :NH3+ 164:sc= -0.0286 (180deg=-0.337) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= 0.00279 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.239 -2.217 13.708 1.00 0.00 N ATOM 2 CA MET A 1 -8.624 -0.865 13.714 1.00 0.00 C ATOM 3 C MET A 1 -8.181 -0.460 12.313 1.00 0.00 C ATOM 4 O MET A 1 -7.810 -1.307 11.499 1.00 0.00 O ATOM 5 CB MET A 1 -7.424 -0.837 14.663 1.00 0.00 C ATOM 6 CG MET A 1 -7.790 -1.106 16.113 1.00 0.00 C ATOM 7 SD MET A 1 -6.370 -1.004 17.221 1.00 0.00 S ATOM 8 CE MET A 1 -5.345 -2.329 16.586 1.00 0.00 C ATOM 0 H1 MET A 1 -10.160 -2.181 14.189 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.373 -2.533 12.726 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.615 -2.884 14.205 1.00 0.00 H new ATOM 0 HA MET A 1 -9.375 -0.154 14.058 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.696 -1.580 14.337 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.939 0.137 14.594 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.546 -0.389 16.431 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.237 -2.097 16.193 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.614 -2.617 17.341 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.971 -3.187 16.340 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.826 -1.990 15.690 1.00 0.00 H new ATOM 20 N GLU A 2 -8.225 0.840 12.036 1.00 0.00 N ATOM 21 CA GLU A 2 -7.824 1.357 10.731 1.00 0.00 C ATOM 22 C GLU A 2 -6.346 1.083 10.471 1.00 0.00 C ATOM 23 O GLU A 2 -5.928 0.920 9.325 1.00 0.00 O ATOM 24 CB GLU A 2 -8.103 2.862 10.639 1.00 0.00 C ATOM 25 CG GLU A 2 -7.228 3.710 11.548 1.00 0.00 C ATOM 26 CD GLU A 2 -7.518 3.484 13.020 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.465 4.111 13.541 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.799 2.681 13.649 1.00 0.00 O ATOM 0 H GLU A 2 -8.534 1.554 12.696 1.00 0.00 H new ATOM 0 HA GLU A 2 -8.412 0.843 9.970 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -7.959 3.185 9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.149 3.043 10.887 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.180 3.485 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.378 4.763 11.310 1.00 0.00 H new ATOM 35 N SER A 3 -5.562 1.035 11.544 1.00 0.00 N ATOM 36 CA SER A 3 -4.130 0.781 11.434 1.00 0.00 C ATOM 37 C SER A 3 -3.866 -0.565 10.767 1.00 0.00 C ATOM 38 O SER A 3 -2.901 -0.719 10.020 1.00 0.00 O ATOM 39 CB SER A 3 -3.476 0.813 12.817 1.00 0.00 C ATOM 40 OG SER A 3 -3.654 2.076 13.436 1.00 0.00 O ATOM 0 H SER A 3 -5.894 1.169 12.499 1.00 0.00 H new ATOM 0 HA SER A 3 -3.695 1.566 10.815 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.907 0.033 13.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.412 0.596 12.725 1.00 0.00 H new ATOM 0 HG SER A 3 -4.610 2.239 13.578 1.00 0.00 H new ATOM 46 N GLU A 4 -4.729 -1.538 11.045 1.00 0.00 N ATOM 47 CA GLU A 4 -4.590 -2.871 10.468 1.00 0.00 C ATOM 48 C GLU A 4 -5.000 -2.873 8.999 1.00 0.00 C ATOM 49 O GLU A 4 -4.484 -3.656 8.203 1.00 0.00 O ATOM 50 CB GLU A 4 -5.435 -3.882 11.246 1.00 0.00 C ATOM 51 CG GLU A 4 -5.308 -5.307 10.732 1.00 0.00 C ATOM 52 CD GLU A 4 -6.109 -6.297 11.554 1.00 0.00 C ATOM 53 OE1 GLU A 4 -7.299 -6.509 11.236 1.00 0.00 O ATOM 54 OE2 GLU A 4 -5.546 -6.862 12.515 1.00 0.00 O ATOM 0 H GLU A 4 -5.531 -1.428 11.666 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.541 -3.159 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.142 -3.856 12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.481 -3.580 11.200 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.643 -5.346 9.695 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.258 -5.600 10.739 1.00 0.00 H new ATOM 61 N TYR A 5 -5.932 -1.993 8.648 1.00 0.00 N ATOM 62 CA TYR A 5 -6.413 -1.897 7.274 1.00 0.00 C ATOM 63 C TYR A 5 -5.328 -1.353 6.348 1.00 0.00 C ATOM 64 O TYR A 5 -5.185 -1.805 5.213 1.00 0.00 O ATOM 65 CB TYR A 5 -7.655 -1.004 7.208 1.00 0.00 C ATOM 66 CG TYR A 5 -8.153 -0.754 5.801 1.00 0.00 C ATOM 67 CD1 TYR A 5 -8.501 -1.811 4.967 1.00 0.00 C ATOM 68 CD2 TYR A 5 -8.276 0.539 5.307 1.00 0.00 C ATOM 69 CE1 TYR A 5 -8.954 -1.584 3.681 1.00 0.00 C ATOM 70 CE2 TYR A 5 -8.730 0.772 4.024 1.00 0.00 C ATOM 71 CZ TYR A 5 -9.069 -0.293 3.215 1.00 0.00 C ATOM 72 OH TYR A 5 -9.521 -0.065 1.936 1.00 0.00 O ATOM 0 H TYR A 5 -6.369 -1.337 9.295 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.676 -2.900 6.939 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -8.454 -1.465 7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.429 -0.047 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -8.416 -2.825 5.330 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.012 1.376 5.937 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -9.217 -2.416 3.044 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.819 1.783 3.655 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.544 0.900 1.764 1.00 0.00 H new ATOM 82 N ARG A 6 -4.568 -0.383 6.843 1.00 0.00 N ATOM 83 CA ARG A 6 -3.498 0.229 6.059 1.00 0.00 C ATOM 84 C ARG A 6 -2.227 -0.617 6.101 1.00 0.00 C ATOM 85 O ARG A 6 -1.474 -0.671 5.129 1.00 0.00 O ATOM 86 CB ARG A 6 -3.205 1.636 6.584 1.00 0.00 C ATOM 87 CG ARG A 6 -2.815 1.665 8.053 1.00 0.00 C ATOM 88 CD ARG A 6 -2.687 3.088 8.571 1.00 0.00 C ATOM 89 NE ARG A 6 -2.250 3.120 9.964 1.00 0.00 N ATOM 90 CZ ARG A 6 -2.491 4.132 10.793 1.00 0.00 C ATOM 91 NH1 ARG A 6 -3.161 5.195 10.369 1.00 0.00 N ATOM 92 NH2 ARG A 6 -2.064 4.080 12.046 1.00 0.00 N ATOM 0 H ARG A 6 -4.672 -0.002 7.784 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.831 0.290 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.401 2.075 5.994 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -4.086 2.261 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -3.562 1.130 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.869 1.141 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.976 3.637 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.647 3.596 8.479 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.729 2.319 10.322 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.493 5.238 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.345 5.970 11.006 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.550 3.263 12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.249 4.857 12.681 1.00 0.00 H new ATOM 106 N GLU A 7 -1.997 -1.275 7.230 1.00 0.00 N ATOM 107 CA GLU A 7 -0.811 -2.109 7.407 1.00 0.00 C ATOM 108 C GLU A 7 -0.892 -3.389 6.578 1.00 0.00 C ATOM 109 O GLU A 7 0.054 -3.743 5.872 1.00 0.00 O ATOM 110 CB GLU A 7 -0.641 -2.463 8.885 1.00 0.00 C ATOM 111 CG GLU A 7 0.615 -3.268 9.184 1.00 0.00 C ATOM 112 CD GLU A 7 0.790 -3.544 10.665 1.00 0.00 C ATOM 113 OE1 GLU A 7 0.259 -4.568 11.144 1.00 0.00 O ATOM 114 OE2 GLU A 7 1.460 -2.739 11.344 1.00 0.00 O ATOM 0 H GLU A 7 -2.617 -1.248 8.040 1.00 0.00 H new ATOM 0 HA GLU A 7 0.051 -1.539 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.619 -1.543 9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.512 -3.030 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.573 -4.214 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.486 -2.727 8.813 1.00 0.00 H new ATOM 121 N MET A 8 -2.022 -4.077 6.672 1.00 0.00 N ATOM 122 CA MET A 8 -2.225 -5.330 5.949 1.00 0.00 C ATOM 123 C MET A 8 -2.331 -5.106 4.443 1.00 0.00 C ATOM 124 O MET A 8 -1.654 -5.772 3.662 1.00 0.00 O ATOM 125 CB MET A 8 -3.486 -6.031 6.461 1.00 0.00 C ATOM 126 CG MET A 8 -3.835 -7.302 5.700 1.00 0.00 C ATOM 127 SD MET A 8 -2.572 -8.580 5.860 1.00 0.00 S ATOM 128 CE MET A 8 -2.669 -8.937 7.612 1.00 0.00 C ATOM 0 H MET A 8 -2.816 -3.789 7.244 1.00 0.00 H new ATOM 0 HA MET A 8 -1.355 -5.961 6.131 1.00 0.00 H new ATOM 0 HB2 MET A 8 -3.352 -6.275 7.515 1.00 0.00 H new ATOM 0 HB3 MET A 8 -4.326 -5.339 6.398 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.786 -7.689 6.065 1.00 0.00 H new ATOM 0 HG3 MET A 8 -3.972 -7.063 4.645 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.200 -9.900 7.814 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.152 -8.157 8.171 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.714 -8.971 7.919 1.00 0.00 H new ATOM 138 N LEU A 9 -3.173 -4.160 4.042 1.00 0.00 N ATOM 139 CA LEU A 9 -3.385 -3.870 2.625 1.00 0.00 C ATOM 140 C LEU A 9 -2.080 -3.526 1.910 1.00 0.00 C ATOM 141 O LEU A 9 -1.884 -3.904 0.755 1.00 0.00 O ATOM 142 CB LEU A 9 -4.389 -2.724 2.467 1.00 0.00 C ATOM 143 CG LEU A 9 -4.831 -2.433 1.029 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.263 -1.924 1.008 1.00 0.00 C ATOM 145 CD2 LEU A 9 -3.898 -1.423 0.376 1.00 0.00 C ATOM 0 H LEU A 9 -3.721 -3.580 4.677 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.785 -4.772 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.273 -2.953 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.950 -1.818 2.885 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.784 -3.361 0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.562 -1.722 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.923 -2.678 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.332 -1.007 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.228 -1.229 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.913 -0.493 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.884 -1.822 0.360 1.00 0.00 H new ATOM 157 N LEU A 10 -1.191 -2.815 2.593 1.00 0.00 N ATOM 158 CA LEU A 10 0.083 -2.422 2.000 1.00 0.00 C ATOM 159 C LEU A 10 1.064 -3.591 1.933 1.00 0.00 C ATOM 160 O LEU A 10 1.606 -3.893 0.870 1.00 0.00 O ATOM 161 CB LEU A 10 0.704 -1.263 2.789 1.00 0.00 C ATOM 162 CG LEU A 10 0.400 0.138 2.245 1.00 0.00 C ATOM 163 CD1 LEU A 10 1.018 0.323 0.867 1.00 0.00 C ATOM 164 CD2 LEU A 10 -1.102 0.385 2.195 1.00 0.00 C ATOM 0 H LEU A 10 -1.327 -2.500 3.553 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.120 -2.098 0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.354 -1.318 3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.785 -1.399 2.812 1.00 0.00 H new ATOM 0 HG LEU A 10 0.843 0.869 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.791 1.323 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.099 0.197 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.607 -0.418 0.182 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.294 1.385 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.571 -0.353 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.518 0.300 3.199 1.00 0.00 H new ATOM 176 N LEU A 11 1.282 -4.248 3.067 1.00 0.00 N ATOM 177 CA LEU A 11 2.213 -5.373 3.133 1.00 0.00 C ATOM 178 C LEU A 11 1.774 -6.527 2.228 1.00 0.00 C ATOM 179 O LEU A 11 2.598 -7.346 1.820 1.00 0.00 O ATOM 180 CB LEU A 11 2.384 -5.839 4.589 1.00 0.00 C ATOM 181 CG LEU A 11 2.055 -7.309 4.877 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.746 -7.768 6.153 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.552 -7.510 4.992 1.00 0.00 C ATOM 0 H LEU A 11 0.829 -4.023 3.953 1.00 0.00 H new ATOM 0 HA LEU A 11 3.180 -5.031 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.416 -5.655 4.888 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.753 -5.217 5.223 1.00 0.00 H new ATOM 0 HG LEU A 11 2.421 -7.910 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.502 -8.813 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.825 -7.662 6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.406 -7.158 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.340 -8.559 5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.164 -6.896 5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.073 -7.219 4.057 1.00 0.00 H new ATOM 195 N THR A 12 0.481 -6.589 1.921 1.00 0.00 N ATOM 196 CA THR A 12 -0.049 -7.650 1.066 1.00 0.00 C ATOM 197 C THR A 12 0.689 -7.710 -0.270 1.00 0.00 C ATOM 198 O THR A 12 0.908 -8.791 -0.818 1.00 0.00 O ATOM 199 CB THR A 12 -1.558 -7.461 0.797 1.00 0.00 C ATOM 200 OG1 THR A 12 -2.294 -7.579 2.018 1.00 0.00 O ATOM 201 CG2 THR A 12 -2.069 -8.492 -0.201 1.00 0.00 C ATOM 0 H THR A 12 -0.217 -5.921 2.249 1.00 0.00 H new ATOM 0 HA THR A 12 0.103 -8.586 1.603 1.00 0.00 H new ATOM 0 HB THR A 12 -1.701 -6.466 0.377 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.234 -6.739 2.518 1.00 0.00 H new ATOM 0 HG21 THR A 12 -3.134 -8.336 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.531 -8.385 -1.143 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.908 -9.494 0.197 1.00 0.00 H new ATOM 209 N GLY A 13 1.075 -6.548 -0.788 1.00 0.00 N ATOM 210 CA GLY A 13 1.773 -6.502 -2.060 1.00 0.00 C ATOM 211 C GLY A 13 3.283 -6.450 -1.912 1.00 0.00 C ATOM 212 O GLY A 13 4.005 -7.060 -2.699 1.00 0.00 O ATOM 0 H GLY A 13 0.917 -5.640 -0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.502 -7.379 -2.648 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.439 -5.628 -2.619 1.00 0.00 H new ATOM 216 N LEU A 14 3.763 -5.721 -0.907 1.00 0.00 N ATOM 217 CA LEU A 14 5.200 -5.596 -0.671 1.00 0.00 C ATOM 218 C LEU A 14 5.851 -6.962 -0.466 1.00 0.00 C ATOM 219 O LEU A 14 6.908 -7.245 -1.029 1.00 0.00 O ATOM 220 CB LEU A 14 5.471 -4.707 0.550 1.00 0.00 C ATOM 221 CG LEU A 14 5.551 -3.203 0.271 1.00 0.00 C ATOM 222 CD1 LEU A 14 6.689 -2.894 -0.690 1.00 0.00 C ATOM 223 CD2 LEU A 14 4.231 -2.687 -0.279 1.00 0.00 C ATOM 0 H LEU A 14 3.180 -5.209 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 14 5.638 -5.134 -1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.685 -4.880 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.409 -5.024 1.006 1.00 0.00 H new ATOM 0 HG LEU A 14 5.751 -2.693 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.728 -1.820 -0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.633 -3.222 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.523 -3.418 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.310 -1.617 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.997 -3.205 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.439 -2.868 0.447 1.00 0.00 H new ATOM 235 N ASP A 15 5.215 -7.803 0.342 1.00 0.00 N ATOM 236 CA ASP A 15 5.738 -9.134 0.630 1.00 0.00 C ATOM 237 C ASP A 15 5.402 -10.122 -0.488 1.00 0.00 C ATOM 238 O ASP A 15 5.600 -11.328 -0.342 1.00 0.00 O ATOM 239 CB ASP A 15 5.176 -9.639 1.963 1.00 0.00 C ATOM 240 CG ASP A 15 5.813 -10.939 2.411 1.00 0.00 C ATOM 241 OD1 ASP A 15 6.928 -10.892 2.973 1.00 0.00 O ATOM 242 OD2 ASP A 15 5.199 -12.006 2.198 1.00 0.00 O ATOM 0 H ASP A 15 4.335 -7.586 0.810 1.00 0.00 H new ATOM 0 HA ASP A 15 6.824 -9.061 0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.332 -8.880 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.099 -9.780 1.869 1.00 0.00 H new ATOM 247 N HIS A 16 4.902 -9.608 -1.609 1.00 0.00 N ATOM 248 CA HIS A 16 4.540 -10.462 -2.737 1.00 0.00 C ATOM 249 C HIS A 16 5.270 -10.042 -4.011 1.00 0.00 C ATOM 250 O HIS A 16 5.376 -10.819 -4.958 1.00 0.00 O ATOM 251 CB HIS A 16 3.027 -10.421 -2.967 1.00 0.00 C ATOM 252 CG HIS A 16 2.550 -11.415 -3.980 1.00 0.00 C ATOM 253 ND1 HIS A 16 2.541 -11.187 -5.338 1.00 0.00 N ATOM 254 CD2 HIS A 16 2.060 -12.670 -3.809 1.00 0.00 C ATOM 255 CE1 HIS A 16 2.056 -12.283 -5.936 1.00 0.00 C ATOM 256 NE2 HIS A 16 1.750 -13.213 -5.053 1.00 0.00 N ATOM 0 H HIS A 16 4.739 -8.612 -1.760 1.00 0.00 H new ATOM 0 HA HIS A 16 4.842 -11.481 -2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 16 2.518 -10.606 -2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.744 -9.420 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.931 -13.168 -2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 16 1.932 -12.391 -7.003 1.00 0.00 H new ATOM 0 HE2 HIS A 16 1.366 -14.139 -5.242 1.00 0.00 H new ATOM 264 N ILE A 17 5.773 -8.811 -4.028 1.00 0.00 N ATOM 265 CA ILE A 17 6.487 -8.299 -5.195 1.00 0.00 C ATOM 266 C ILE A 17 7.992 -8.510 -5.061 1.00 0.00 C ATOM 267 O ILE A 17 8.510 -8.685 -3.959 1.00 0.00 O ATOM 268 CB ILE A 17 6.204 -6.800 -5.414 1.00 0.00 C ATOM 269 CG1 ILE A 17 6.591 -5.997 -4.169 1.00 0.00 C ATOM 270 CG2 ILE A 17 4.736 -6.589 -5.763 1.00 0.00 C ATOM 271 CD1 ILE A 17 6.469 -4.498 -4.348 1.00 0.00 C ATOM 0 H ILE A 17 5.701 -8.152 -3.252 1.00 0.00 H new ATOM 0 HA ILE A 17 6.124 -8.859 -6.057 1.00 0.00 H new ATOM 0 HB ILE A 17 6.809 -6.444 -6.248 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.959 -6.307 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.618 -6.239 -3.897 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.547 -5.526 -5.916 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.497 -7.135 -6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.112 -6.955 -4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.760 -3.996 -3.425 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.122 -4.174 -5.158 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.437 -4.243 -4.590 1.00 0.00 H new ATOM 283 N THR A 18 8.688 -8.490 -6.195 1.00 0.00 N ATOM 284 CA THR A 18 10.135 -8.680 -6.211 1.00 0.00 C ATOM 285 C THR A 18 10.865 -7.409 -5.791 1.00 0.00 C ATOM 286 O THR A 18 10.260 -6.344 -5.681 1.00 0.00 O ATOM 287 CB THR A 18 10.630 -9.106 -7.605 1.00 0.00 C ATOM 288 OG1 THR A 18 10.361 -8.071 -8.559 1.00 0.00 O ATOM 289 CG2 THR A 18 9.958 -10.397 -8.047 1.00 0.00 C ATOM 0 H THR A 18 8.273 -8.344 -7.115 1.00 0.00 H new ATOM 0 HA THR A 18 10.356 -9.473 -5.496 1.00 0.00 H new ATOM 0 HB THR A 18 11.705 -9.276 -7.548 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.526 -8.271 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.324 -10.678 -9.035 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.189 -11.190 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.879 -10.250 -8.088 1.00 0.00 H new ATOM 297 N GLU A 19 12.169 -7.531 -5.559 1.00 0.00 N ATOM 298 CA GLU A 19 12.988 -6.395 -5.145 1.00 0.00 C ATOM 299 C GLU A 19 13.133 -5.373 -6.269 1.00 0.00 C ATOM 300 O GLU A 19 13.092 -4.166 -6.029 1.00 0.00 O ATOM 301 CB GLU A 19 14.371 -6.876 -4.694 1.00 0.00 C ATOM 302 CG GLU A 19 15.132 -7.642 -5.764 1.00 0.00 C ATOM 303 CD GLU A 19 16.495 -8.104 -5.289 1.00 0.00 C ATOM 304 OE1 GLU A 19 16.581 -9.214 -4.721 1.00 0.00 O ATOM 305 OE2 GLU A 19 17.477 -7.357 -5.484 1.00 0.00 O ATOM 0 H GLU A 19 12.683 -8.407 -5.651 1.00 0.00 H new ATOM 0 HA GLU A 19 12.485 -5.909 -4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 19 14.963 -6.014 -4.387 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.256 -7.513 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.546 -8.508 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.253 -7.009 -6.643 1.00 0.00 H new ATOM 312 N GLU A 20 13.304 -5.858 -7.497 1.00 0.00 N ATOM 313 CA GLU A 20 13.461 -4.977 -8.649 1.00 0.00 C ATOM 314 C GLU A 20 12.204 -4.142 -8.876 1.00 0.00 C ATOM 315 O GLU A 20 12.283 -2.937 -9.117 1.00 0.00 O ATOM 316 CB GLU A 20 13.785 -5.792 -9.904 1.00 0.00 C ATOM 317 CG GLU A 20 12.778 -6.891 -10.197 1.00 0.00 C ATOM 318 CD GLU A 20 13.110 -7.664 -11.458 1.00 0.00 C ATOM 319 OE1 GLU A 20 13.853 -8.664 -11.364 1.00 0.00 O ATOM 320 OE2 GLU A 20 12.625 -7.270 -12.540 1.00 0.00 O ATOM 0 H GLU A 20 13.337 -6.853 -7.718 1.00 0.00 H new ATOM 0 HA GLU A 20 14.289 -4.299 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.834 -5.119 -10.760 1.00 0.00 H new ATOM 0 HB3 GLU A 20 14.773 -6.238 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.741 -7.579 -9.353 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.785 -6.452 -10.295 1.00 0.00 H new ATOM 327 N GLU A 21 11.046 -4.789 -8.794 1.00 0.00 N ATOM 328 CA GLU A 21 9.772 -4.106 -8.988 1.00 0.00 C ATOM 329 C GLU A 21 9.426 -3.249 -7.777 1.00 0.00 C ATOM 330 O GLU A 21 8.733 -2.239 -7.895 1.00 0.00 O ATOM 331 CB GLU A 21 8.657 -5.124 -9.239 1.00 0.00 C ATOM 332 CG GLU A 21 8.864 -5.960 -10.491 1.00 0.00 C ATOM 333 CD GLU A 21 7.802 -7.030 -10.657 1.00 0.00 C ATOM 334 OE1 GLU A 21 6.741 -6.727 -11.241 1.00 0.00 O ATOM 335 OE2 GLU A 21 8.034 -8.171 -10.204 1.00 0.00 O ATOM 0 H GLU A 21 10.964 -5.786 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 21 9.866 -3.456 -9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.583 -5.788 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.706 -4.596 -9.318 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.858 -5.308 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.846 -6.431 -10.451 1.00 0.00 H new ATOM 342 N LEU A 22 9.917 -3.665 -6.612 1.00 0.00 N ATOM 343 CA LEU A 22 9.665 -2.946 -5.369 1.00 0.00 C ATOM 344 C LEU A 22 10.100 -1.487 -5.483 1.00 0.00 C ATOM 345 O LEU A 22 9.350 -0.578 -5.126 1.00 0.00 O ATOM 346 CB LEU A 22 10.402 -3.630 -4.211 1.00 0.00 C ATOM 347 CG LEU A 22 10.041 -3.127 -2.811 1.00 0.00 C ATOM 348 CD1 LEU A 22 10.259 -4.224 -1.781 1.00 0.00 C ATOM 349 CD2 LEU A 22 10.863 -1.900 -2.454 1.00 0.00 C ATOM 0 H LEU A 22 10.494 -4.500 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 22 8.593 -2.965 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.200 -4.700 -4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.474 -3.501 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 22 8.987 -2.849 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 22 9.998 -3.851 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.630 -5.081 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.306 -4.528 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 22 10.591 -1.558 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.923 -2.153 -2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.665 -1.107 -3.175 1.00 0.00 H new ATOM 361 N LYS A 23 11.313 -1.270 -5.983 1.00 0.00 N ATOM 362 CA LYS A 23 11.845 0.080 -6.138 1.00 0.00 C ATOM 363 C LYS A 23 10.993 0.898 -7.105 1.00 0.00 C ATOM 364 O LYS A 23 10.854 2.111 -6.949 1.00 0.00 O ATOM 365 CB LYS A 23 13.292 0.027 -6.633 1.00 0.00 C ATOM 366 CG LYS A 23 14.225 -0.733 -5.704 1.00 0.00 C ATOM 367 CD LYS A 23 15.657 -0.716 -6.213 1.00 0.00 C ATOM 368 CE LYS A 23 16.581 -1.500 -5.295 1.00 0.00 C ATOM 369 NZ LYS A 23 16.582 -0.955 -3.910 1.00 0.00 N ATOM 0 H LYS A 23 11.945 -2.010 -6.287 1.00 0.00 H new ATOM 0 HA LYS A 23 11.819 0.566 -5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.314 -0.440 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.663 1.045 -6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.187 -0.291 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.884 -1.764 -5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 23 15.693 -1.140 -7.217 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.005 0.314 -6.289 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.270 -2.545 -5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.595 -1.477 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.375 -1.365 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.686 0.079 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 15.686 -1.198 -3.441 1.00 0.00 H new ATOM 383 N ARG A 24 10.422 0.227 -8.100 1.00 0.00 N ATOM 384 CA ARG A 24 9.588 0.894 -9.095 1.00 0.00 C ATOM 385 C ARG A 24 8.332 1.482 -8.456 1.00 0.00 C ATOM 386 O ARG A 24 7.878 2.561 -8.839 1.00 0.00 O ATOM 387 CB ARG A 24 9.198 -0.086 -10.204 1.00 0.00 C ATOM 388 CG ARG A 24 10.392 -0.710 -10.910 1.00 0.00 C ATOM 389 CD ARG A 24 9.953 -1.666 -12.009 1.00 0.00 C ATOM 390 NE ARG A 24 11.089 -2.337 -12.636 1.00 0.00 N ATOM 391 CZ ARG A 24 10.974 -3.408 -13.418 1.00 0.00 C ATOM 392 NH1 ARG A 24 9.779 -3.925 -13.670 1.00 0.00 N ATOM 393 NH2 ARG A 24 12.054 -3.960 -13.950 1.00 0.00 N ATOM 0 H ARG A 24 10.521 -0.779 -8.239 1.00 0.00 H new ATOM 0 HA ARG A 24 10.168 1.710 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.583 -0.879 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.583 0.435 -10.938 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.015 0.076 -11.337 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.006 -1.245 -10.185 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.276 -2.412 -11.592 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.394 -1.116 -12.766 1.00 0.00 H new ATOM 0 HE ARG A 24 12.023 -1.964 -12.465 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.944 -3.502 -13.264 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.695 -4.746 -14.270 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.975 -3.564 -13.761 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.965 -4.781 -14.549 1.00 0.00 H new ATOM 407 N PHE A 25 7.775 0.770 -7.481 1.00 0.00 N ATOM 408 CA PHE A 25 6.568 1.222 -6.793 1.00 0.00 C ATOM 409 C PHE A 25 6.798 2.562 -6.097 1.00 0.00 C ATOM 410 O PHE A 25 6.074 3.527 -6.339 1.00 0.00 O ATOM 411 CB PHE A 25 6.115 0.175 -5.773 1.00 0.00 C ATOM 412 CG PHE A 25 4.885 0.574 -5.004 1.00 0.00 C ATOM 413 CD1 PHE A 25 3.662 0.701 -5.642 1.00 0.00 C ATOM 414 CD2 PHE A 25 4.956 0.824 -3.643 1.00 0.00 C ATOM 415 CE1 PHE A 25 2.532 1.067 -4.937 1.00 0.00 C ATOM 416 CE2 PHE A 25 3.827 1.191 -2.932 1.00 0.00 C ATOM 417 CZ PHE A 25 2.614 1.313 -3.580 1.00 0.00 C ATOM 0 H PHE A 25 8.140 -0.123 -7.149 1.00 0.00 H new ATOM 0 HA PHE A 25 5.786 1.355 -7.541 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.920 -0.764 -6.291 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.928 -0.011 -5.071 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.591 0.512 -6.703 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.903 0.731 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.584 1.161 -5.447 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.895 1.382 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.732 1.600 -3.028 1.00 0.00 H new ATOM 427 N LYS A 26 7.806 2.613 -5.232 1.00 0.00 N ATOM 428 CA LYS A 26 8.125 3.836 -4.499 1.00 0.00 C ATOM 429 C LYS A 26 8.485 4.975 -5.447 1.00 0.00 C ATOM 430 O LYS A 26 8.228 6.141 -5.152 1.00 0.00 O ATOM 431 CB LYS A 26 9.276 3.586 -3.520 1.00 0.00 C ATOM 432 CG LYS A 26 8.815 3.266 -2.105 1.00 0.00 C ATOM 433 CD LYS A 26 7.944 2.018 -2.059 1.00 0.00 C ATOM 434 CE LYS A 26 8.722 0.775 -2.457 1.00 0.00 C ATOM 435 NZ LYS A 26 7.870 -0.446 -2.421 1.00 0.00 N ATOM 0 H LYS A 26 8.416 1.823 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 26 7.236 4.129 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.884 2.761 -3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.917 4.467 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.685 3.125 -1.463 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.257 4.113 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.544 1.890 -1.053 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.092 2.144 -2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.128 0.906 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.570 0.646 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.321 -1.167 -1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.936 -0.206 -2.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.756 -0.819 -3.385 1.00 0.00 H new ATOM 449 N TYR A 27 9.079 4.633 -6.585 1.00 0.00 N ATOM 450 CA TYR A 27 9.469 5.633 -7.572 1.00 0.00 C ATOM 451 C TYR A 27 8.243 6.269 -8.220 1.00 0.00 C ATOM 452 O TYR A 27 8.254 7.451 -8.566 1.00 0.00 O ATOM 453 CB TYR A 27 10.354 4.999 -8.648 1.00 0.00 C ATOM 454 CG TYR A 27 10.883 5.988 -9.663 1.00 0.00 C ATOM 455 CD1 TYR A 27 12.043 6.712 -9.416 1.00 0.00 C ATOM 456 CD2 TYR A 27 10.223 6.198 -10.868 1.00 0.00 C ATOM 457 CE1 TYR A 27 12.530 7.617 -10.342 1.00 0.00 C ATOM 458 CE2 TYR A 27 10.703 7.100 -11.797 1.00 0.00 C ATOM 459 CZ TYR A 27 11.857 7.806 -11.530 1.00 0.00 C ATOM 460 OH TYR A 27 12.338 8.706 -12.453 1.00 0.00 O ATOM 0 H TYR A 27 9.301 3.672 -6.847 1.00 0.00 H new ATOM 0 HA TYR A 27 10.031 6.412 -7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.196 4.501 -8.166 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.783 4.229 -9.168 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.573 6.566 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 27 9.319 5.646 -11.081 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.433 8.173 -10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.177 7.252 -12.728 1.00 0.00 H new ATOM 0 HH TYR A 27 11.748 8.719 -13.235 1.00 0.00 H new ATOM 470 N PHE A 28 7.189 5.478 -8.382 1.00 0.00 N ATOM 471 CA PHE A 28 5.959 5.957 -9.002 1.00 0.00 C ATOM 472 C PHE A 28 5.103 6.753 -8.018 1.00 0.00 C ATOM 473 O PHE A 28 4.748 7.901 -8.280 1.00 0.00 O ATOM 474 CB PHE A 28 5.156 4.779 -9.554 1.00 0.00 C ATOM 475 CG PHE A 28 4.235 5.159 -10.677 1.00 0.00 C ATOM 476 CD1 PHE A 28 4.685 5.152 -11.987 1.00 0.00 C ATOM 477 CD2 PHE A 28 2.924 5.525 -10.423 1.00 0.00 C ATOM 478 CE1 PHE A 28 3.843 5.502 -13.024 1.00 0.00 C ATOM 479 CE2 PHE A 28 2.077 5.877 -11.457 1.00 0.00 C ATOM 480 CZ PHE A 28 2.537 5.866 -12.759 1.00 0.00 C ATOM 0 H PHE A 28 7.161 4.500 -8.092 1.00 0.00 H new ATOM 0 HA PHE A 28 6.238 6.623 -9.818 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.846 4.011 -9.904 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.570 4.338 -8.747 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.706 4.870 -12.200 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.559 5.536 -9.406 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.205 5.491 -14.041 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.056 6.160 -11.247 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.877 6.141 -13.568 1.00 0.00 H new ATOM 490 N ALA A 29 4.775 6.136 -6.884 1.00 0.00 N ATOM 491 CA ALA A 29 3.948 6.786 -5.872 1.00 0.00 C ATOM 492 C ALA A 29 4.699 7.907 -5.162 1.00 0.00 C ATOM 493 O ALA A 29 4.208 9.032 -5.073 1.00 0.00 O ATOM 494 CB ALA A 29 3.453 5.766 -4.857 1.00 0.00 C ATOM 0 H ALA A 29 5.069 5.189 -6.644 1.00 0.00 H new ATOM 0 HA ALA A 29 3.093 7.229 -6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.838 6.266 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.860 5.005 -5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.306 5.295 -4.369 1.00 0.00 H new ATOM 500 N LEU A 30 5.888 7.598 -4.658 1.00 0.00 N ATOM 501 CA LEU A 30 6.690 8.588 -3.951 1.00 0.00 C ATOM 502 C LEU A 30 7.726 9.214 -4.878 1.00 0.00 C ATOM 503 O LEU A 30 8.841 8.711 -5.011 1.00 0.00 O ATOM 504 CB LEU A 30 7.387 7.954 -2.740 1.00 0.00 C ATOM 505 CG LEU A 30 6.467 7.255 -1.728 1.00 0.00 C ATOM 506 CD1 LEU A 30 5.257 8.117 -1.395 1.00 0.00 C ATOM 507 CD2 LEU A 30 6.030 5.892 -2.245 1.00 0.00 C ATOM 0 H LEU A 30 6.316 6.675 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 30 6.019 9.373 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.115 7.228 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.945 8.731 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 30 7.036 7.107 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.625 7.595 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.590 9.062 -0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.688 8.312 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.379 5.416 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.490 6.015 -3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.908 5.267 -2.411 1.00 0.00 H new ATOM 519 N THR A 31 7.344 10.313 -5.522 1.00 0.00 N ATOM 520 CA THR A 31 8.238 11.012 -6.435 1.00 0.00 C ATOM 521 C THR A 31 9.026 12.097 -5.711 1.00 0.00 C ATOM 522 O THR A 31 10.249 12.181 -5.833 1.00 0.00 O ATOM 523 CB THR A 31 7.461 11.655 -7.599 1.00 0.00 C ATOM 524 OG1 THR A 31 6.563 12.653 -7.098 1.00 0.00 O ATOM 525 CG2 THR A 31 6.677 10.605 -8.372 1.00 0.00 C ATOM 0 H THR A 31 6.421 10.737 -5.427 1.00 0.00 H new ATOM 0 HA THR A 31 8.928 10.267 -6.832 1.00 0.00 H new ATOM 0 HB THR A 31 8.181 12.119 -8.273 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.074 13.058 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.136 11.083 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.365 9.863 -8.777 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.967 10.116 -7.704 1.00 0.00 H new ATOM 533 N GLU A 32 8.313 12.927 -4.955 1.00 0.00 N ATOM 534 CA GLU A 32 8.934 14.019 -4.215 1.00 0.00 C ATOM 535 C GLU A 32 9.226 13.624 -2.770 1.00 0.00 C ATOM 536 O GLU A 32 9.913 14.349 -2.051 1.00 0.00 O ATOM 537 CB GLU A 32 8.030 15.253 -4.240 1.00 0.00 C ATOM 538 CG GLU A 32 7.691 15.732 -5.642 1.00 0.00 C ATOM 539 CD GLU A 32 6.755 16.925 -5.640 1.00 0.00 C ATOM 540 OE1 GLU A 32 7.251 18.068 -5.548 1.00 0.00 O ATOM 541 OE2 GLU A 32 5.527 16.717 -5.730 1.00 0.00 O ATOM 0 H GLU A 32 7.302 12.863 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 32 9.882 14.250 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 32 7.105 15.026 -3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 32 8.519 16.062 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.611 15.997 -6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.232 14.916 -6.200 1.00 0.00 H new ATOM 548 N PHE A 33 8.703 12.477 -2.344 1.00 0.00 N ATOM 549 CA PHE A 33 8.913 12.015 -0.975 1.00 0.00 C ATOM 550 C PHE A 33 10.243 11.276 -0.842 1.00 0.00 C ATOM 551 O PHE A 33 10.826 11.228 0.241 1.00 0.00 O ATOM 552 CB PHE A 33 7.762 11.105 -0.545 1.00 0.00 C ATOM 553 CG PHE A 33 6.409 11.745 -0.686 1.00 0.00 C ATOM 554 CD1 PHE A 33 5.929 12.603 0.290 1.00 0.00 C ATOM 555 CD2 PHE A 33 5.619 11.491 -1.798 1.00 0.00 C ATOM 556 CE1 PHE A 33 4.687 13.197 0.160 1.00 0.00 C ATOM 557 CE2 PHE A 33 4.378 12.082 -1.932 1.00 0.00 C ATOM 558 CZ PHE A 33 3.911 12.936 -0.952 1.00 0.00 C ATOM 0 H PHE A 33 8.136 11.856 -2.921 1.00 0.00 H new ATOM 0 HA PHE A 33 8.943 12.888 -0.323 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.788 10.193 -1.141 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.910 10.811 0.494 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.531 12.810 1.162 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.979 10.824 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.324 13.865 0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.773 11.877 -2.803 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.941 13.399 -1.055 1.00 0.00 H new ATOM 568 N GLN A 34 10.714 10.714 -1.953 1.00 0.00 N ATOM 569 CA GLN A 34 11.987 9.993 -1.985 1.00 0.00 C ATOM 570 C GLN A 34 12.185 9.118 -0.744 1.00 0.00 C ATOM 571 O GLN A 34 13.041 9.402 0.094 1.00 0.00 O ATOM 572 CB GLN A 34 13.146 10.986 -2.118 1.00 0.00 C ATOM 573 CG GLN A 34 14.493 10.325 -2.368 1.00 0.00 C ATOM 574 CD GLN A 34 14.513 9.495 -3.637 1.00 0.00 C ATOM 575 OE1 GLN A 34 14.195 8.306 -3.621 1.00 0.00 O ATOM 576 NE2 GLN A 34 14.894 10.118 -4.747 1.00 0.00 N ATOM 0 H GLN A 34 10.230 10.744 -2.850 1.00 0.00 H new ATOM 0 HA GLN A 34 11.969 9.331 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.931 11.674 -2.936 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.208 11.583 -1.208 1.00 0.00 H new ATOM 0 HG2 GLN A 34 15.264 11.093 -2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.744 9.689 -1.519 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.149 11.105 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.931 9.609 -5.630 1.00 0.00 H new ATOM 585 N ILE A 35 11.384 8.062 -0.620 1.00 0.00 N ATOM 586 CA ILE A 35 11.493 7.159 0.524 1.00 0.00 C ATOM 587 C ILE A 35 12.831 6.418 0.513 1.00 0.00 C ATOM 588 O ILE A 35 13.280 5.938 -0.528 1.00 0.00 O ATOM 589 CB ILE A 35 10.326 6.145 0.564 1.00 0.00 C ATOM 590 CG1 ILE A 35 9.061 6.836 1.086 1.00 0.00 C ATOM 591 CG2 ILE A 35 10.683 4.940 1.429 1.00 0.00 C ATOM 592 CD1 ILE A 35 7.853 5.926 1.181 1.00 0.00 C ATOM 0 H ILE A 35 10.658 7.812 -1.291 1.00 0.00 H new ATOM 0 HA ILE A 35 11.439 7.773 1.423 1.00 0.00 H new ATOM 0 HB ILE A 35 10.139 5.782 -0.447 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.268 7.252 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.821 7.674 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 35 9.847 4.241 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 35 11.563 4.445 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 35 10.894 5.272 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 35 7.001 6.491 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.617 5.530 0.193 1.00 0.00 H new ATOM 0 HD13 ILE A 35 8.071 5.102 1.860 1.00 0.00 H new ATOM 604 N ALA A 36 13.458 6.328 1.685 1.00 0.00 N ATOM 605 CA ALA A 36 14.750 5.663 1.827 1.00 0.00 C ATOM 606 C ALA A 36 14.674 4.184 1.454 1.00 0.00 C ATOM 607 O ALA A 36 13.775 3.466 1.892 1.00 0.00 O ATOM 608 CB ALA A 36 15.265 5.823 3.248 1.00 0.00 C ATOM 0 H ALA A 36 13.088 6.711 2.555 1.00 0.00 H new ATOM 0 HA ALA A 36 15.445 6.138 1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.229 5.324 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 36 15.381 6.883 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.555 5.378 3.945 1.00 0.00 H new ATOM 614 N ARG A 37 15.628 3.742 0.640 1.00 0.00 N ATOM 615 CA ARG A 37 15.690 2.352 0.200 1.00 0.00 C ATOM 616 C ARG A 37 16.009 1.411 1.363 1.00 0.00 C ATOM 617 O ARG A 37 15.753 0.210 1.288 1.00 0.00 O ATOM 618 CB ARG A 37 16.744 2.193 -0.899 1.00 0.00 C ATOM 619 CG ARG A 37 18.157 2.514 -0.437 1.00 0.00 C ATOM 620 CD ARG A 37 19.177 2.248 -1.532 1.00 0.00 C ATOM 621 NE ARG A 37 18.993 3.130 -2.681 1.00 0.00 N ATOM 622 CZ ARG A 37 19.711 3.046 -3.798 1.00 0.00 C ATOM 623 NH1 ARG A 37 20.648 2.115 -3.921 1.00 0.00 N ATOM 624 NH2 ARG A 37 19.492 3.895 -4.794 1.00 0.00 N ATOM 0 H ARG A 37 16.374 4.331 0.270 1.00 0.00 H new ATOM 0 HA ARG A 37 14.710 2.084 -0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.716 1.169 -1.272 1.00 0.00 H new ATOM 0 HB3 ARG A 37 16.487 2.844 -1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 37 18.213 3.559 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.399 1.914 0.440 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.182 2.381 -1.131 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.098 1.210 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 37 18.274 3.851 -2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 37 20.820 1.461 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 37 21.196 2.054 -4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 37 18.773 4.613 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.043 3.830 -5.650 1.00 0.00 H new ATOM 638 N SER A 38 16.577 1.961 2.432 1.00 0.00 N ATOM 639 CA SER A 38 16.938 1.165 3.603 1.00 0.00 C ATOM 640 C SER A 38 15.704 0.752 4.400 1.00 0.00 C ATOM 641 O SER A 38 15.670 -0.326 4.995 1.00 0.00 O ATOM 642 CB SER A 38 17.900 1.949 4.500 1.00 0.00 C ATOM 643 OG SER A 38 18.239 1.204 5.657 1.00 0.00 O ATOM 0 H SER A 38 16.798 2.954 2.513 1.00 0.00 H new ATOM 0 HA SER A 38 17.431 0.259 3.250 1.00 0.00 H new ATOM 0 HB2 SER A 38 18.804 2.193 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 38 17.441 2.893 4.793 1.00 0.00 H new ATOM 0 HG SER A 38 18.855 1.725 6.213 1.00 0.00 H new ATOM 649 N THR A 39 14.693 1.614 4.409 1.00 0.00 N ATOM 650 CA THR A 39 13.459 1.346 5.141 1.00 0.00 C ATOM 651 C THR A 39 12.637 0.245 4.479 1.00 0.00 C ATOM 652 O THR A 39 11.750 -0.337 5.103 1.00 0.00 O ATOM 653 CB THR A 39 12.589 2.609 5.260 1.00 0.00 C ATOM 654 OG1 THR A 39 12.168 3.041 3.960 1.00 0.00 O ATOM 655 CG2 THR A 39 13.353 3.730 5.948 1.00 0.00 C ATOM 0 H THR A 39 14.704 2.507 3.916 1.00 0.00 H new ATOM 0 HA THR A 39 13.759 1.018 6.136 1.00 0.00 H new ATOM 0 HB THR A 39 11.714 2.363 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.952 3.156 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.717 4.612 6.021 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.646 3.410 6.948 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.244 3.972 5.369 1.00 0.00 H new ATOM 663 N LEU A 40 12.935 -0.032 3.212 1.00 0.00 N ATOM 664 CA LEU A 40 12.215 -1.054 2.452 1.00 0.00 C ATOM 665 C LEU A 40 12.141 -2.384 3.206 1.00 0.00 C ATOM 666 O LEU A 40 11.317 -3.239 2.881 1.00 0.00 O ATOM 667 CB LEU A 40 12.881 -1.263 1.091 1.00 0.00 C ATOM 668 CG LEU A 40 12.971 -0.011 0.214 1.00 0.00 C ATOM 669 CD1 LEU A 40 13.681 -0.326 -1.093 1.00 0.00 C ATOM 670 CD2 LEU A 40 11.585 0.560 -0.051 1.00 0.00 C ATOM 0 H LEU A 40 13.673 0.438 2.687 1.00 0.00 H new ATOM 0 HA LEU A 40 11.195 -0.698 2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.888 -1.649 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 40 12.329 -2.030 0.547 1.00 0.00 H new ATOM 0 HG LEU A 40 13.552 0.741 0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 40 13.736 0.575 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 40 14.689 -0.684 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 40 13.128 -1.096 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.671 1.449 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.976 -0.185 -0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.114 0.826 0.895 1.00 0.00 H new ATOM 682 N ASP A 41 12.998 -2.556 4.208 1.00 0.00 N ATOM 683 CA ASP A 41 13.014 -3.784 4.996 1.00 0.00 C ATOM 684 C ASP A 41 11.676 -3.993 5.705 1.00 0.00 C ATOM 685 O ASP A 41 11.101 -5.081 5.662 1.00 0.00 O ATOM 686 CB ASP A 41 14.148 -3.744 6.022 1.00 0.00 C ATOM 687 CG ASP A 41 14.270 -5.037 6.805 1.00 0.00 C ATOM 688 OD1 ASP A 41 15.003 -5.940 6.350 1.00 0.00 O ATOM 689 OD2 ASP A 41 13.633 -5.146 7.874 1.00 0.00 O ATOM 0 H ASP A 41 13.689 -1.862 4.493 1.00 0.00 H new ATOM 0 HA ASP A 41 13.180 -4.620 4.316 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.089 -3.543 5.510 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.979 -2.919 6.714 1.00 0.00 H new ATOM 694 N VAL A 42 11.190 -2.940 6.355 1.00 0.00 N ATOM 695 CA VAL A 42 9.921 -2.995 7.074 1.00 0.00 C ATOM 696 C VAL A 42 8.961 -1.933 6.564 1.00 0.00 C ATOM 697 O VAL A 42 7.942 -1.646 7.192 1.00 0.00 O ATOM 698 CB VAL A 42 10.120 -2.781 8.584 1.00 0.00 C ATOM 699 CG1 VAL A 42 10.782 -3.996 9.215 1.00 0.00 C ATOM 700 CG2 VAL A 42 10.937 -1.524 8.839 1.00 0.00 C ATOM 0 H VAL A 42 11.658 -2.035 6.399 1.00 0.00 H new ATOM 0 HA VAL A 42 9.505 -3.987 6.900 1.00 0.00 H new ATOM 0 HB VAL A 42 9.142 -2.652 9.047 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.914 -3.825 10.283 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.153 -4.873 9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.754 -4.162 8.751 1.00 0.00 H new ATOM 0 HG21 VAL A 42 11.069 -1.387 9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.913 -1.622 8.363 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.416 -0.661 8.424 1.00 0.00 H new ATOM 710 N ALA A 43 9.292 -1.360 5.417 1.00 0.00 N ATOM 711 CA ALA A 43 8.480 -0.313 4.822 1.00 0.00 C ATOM 712 C ALA A 43 7.034 -0.738 4.633 1.00 0.00 C ATOM 713 O ALA A 43 6.129 0.079 4.711 1.00 0.00 O ATOM 714 CB ALA A 43 9.064 0.117 3.489 1.00 0.00 C ATOM 0 H ALA A 43 10.123 -1.605 4.878 1.00 0.00 H new ATOM 0 HA ALA A 43 8.489 0.527 5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.444 0.902 3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.075 0.495 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.093 -0.737 2.812 1.00 0.00 H new ATOM 720 N ASP A 44 6.809 -2.014 4.416 1.00 0.00 N ATOM 721 CA ASP A 44 5.457 -2.489 4.174 1.00 0.00 C ATOM 722 C ASP A 44 4.507 -2.164 5.327 1.00 0.00 C ATOM 723 O ASP A 44 3.463 -1.549 5.114 1.00 0.00 O ATOM 724 CB ASP A 44 5.476 -3.999 3.928 1.00 0.00 C ATOM 725 CG ASP A 44 6.116 -4.766 5.067 1.00 0.00 C ATOM 726 OD1 ASP A 44 7.361 -4.865 5.092 1.00 0.00 O ATOM 727 OD2 ASP A 44 5.373 -5.271 5.935 1.00 0.00 O ATOM 0 H ASP A 44 7.530 -2.736 4.401 1.00 0.00 H new ATOM 0 HA ASP A 44 5.084 -1.969 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.455 -4.353 3.785 1.00 0.00 H new ATOM 0 HB3 ASP A 44 6.018 -4.206 3.005 1.00 0.00 H new ATOM 732 N ARG A 45 4.858 -2.570 6.544 1.00 0.00 N ATOM 733 CA ARG A 45 3.988 -2.316 7.694 1.00 0.00 C ATOM 734 C ARG A 45 4.093 -0.904 8.293 1.00 0.00 C ATOM 735 O ARG A 45 3.115 -0.157 8.316 1.00 0.00 O ATOM 736 CB ARG A 45 4.236 -3.362 8.786 1.00 0.00 C ATOM 737 CG ARG A 45 5.704 -3.624 9.080 1.00 0.00 C ATOM 738 CD ARG A 45 5.878 -4.777 10.053 1.00 0.00 C ATOM 739 NE ARG A 45 7.279 -5.159 10.199 1.00 0.00 N ATOM 740 CZ ARG A 45 7.726 -5.984 11.139 1.00 0.00 C ATOM 741 NH1 ARG A 45 6.886 -6.502 12.026 1.00 0.00 N ATOM 742 NH2 ARG A 45 9.014 -6.289 11.196 1.00 0.00 N ATOM 0 H ARG A 45 5.722 -3.067 6.760 1.00 0.00 H new ATOM 0 HA ARG A 45 2.973 -2.393 7.304 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.747 -3.035 9.703 1.00 0.00 H new ATOM 0 HB3 ARG A 45 3.764 -4.299 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.228 -3.848 8.151 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.160 -2.725 9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.475 -4.495 11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 45 5.302 -5.635 9.706 1.00 0.00 H new ATOM 0 HE ARG A 45 7.954 -4.770 9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.894 -6.267 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.232 -7.135 12.747 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.663 -5.890 10.518 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.357 -6.923 11.918 1.00 0.00 H new ATOM 756 N THR A 46 5.284 -0.551 8.777 1.00 0.00 N ATOM 757 CA THR A 46 5.505 0.729 9.462 1.00 0.00 C ATOM 758 C THR A 46 5.744 1.968 8.586 1.00 0.00 C ATOM 759 O THR A 46 5.021 2.959 8.701 1.00 0.00 O ATOM 760 CB THR A 46 6.678 0.613 10.454 1.00 0.00 C ATOM 761 OG1 THR A 46 7.020 1.905 10.968 1.00 0.00 O ATOM 762 CG2 THR A 46 7.896 -0.013 9.789 1.00 0.00 C ATOM 0 H THR A 46 6.117 -1.136 8.708 1.00 0.00 H new ATOM 0 HA THR A 46 4.548 0.904 9.953 1.00 0.00 H new ATOM 0 HB THR A 46 6.362 -0.031 11.275 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.765 1.819 11.598 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.709 -0.083 10.511 1.00 0.00 H new ATOM 0 HG22 THR A 46 7.642 -1.011 9.430 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.210 0.606 8.948 1.00 0.00 H new ATOM 770 N GLU A 47 6.750 1.912 7.718 1.00 0.00 N ATOM 771 CA GLU A 47 7.145 3.080 6.921 1.00 0.00 C ATOM 772 C GLU A 47 6.151 3.507 5.836 1.00 0.00 C ATOM 773 O GLU A 47 5.646 4.627 5.870 1.00 0.00 O ATOM 774 CB GLU A 47 8.509 2.812 6.291 1.00 0.00 C ATOM 775 CG GLU A 47 9.577 3.807 6.711 1.00 0.00 C ATOM 776 CD GLU A 47 9.959 3.674 8.173 1.00 0.00 C ATOM 777 OE1 GLU A 47 10.764 2.775 8.496 1.00 0.00 O ATOM 778 OE2 GLU A 47 9.454 4.469 8.993 1.00 0.00 O ATOM 0 H GLU A 47 7.308 1.076 7.545 1.00 0.00 H new ATOM 0 HA GLU A 47 7.174 3.916 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.834 1.807 6.561 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.410 2.834 5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.464 3.664 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.218 4.819 6.524 1.00 0.00 H new ATOM 785 N LEU A 48 5.869 2.628 4.885 1.00 0.00 N ATOM 786 CA LEU A 48 4.958 2.962 3.789 1.00 0.00 C ATOM 787 C LEU A 48 3.567 3.315 4.286 1.00 0.00 C ATOM 788 O LEU A 48 3.023 4.357 3.929 1.00 0.00 O ATOM 789 CB LEU A 48 4.867 1.814 2.781 1.00 0.00 C ATOM 790 CG LEU A 48 6.057 1.696 1.828 1.00 0.00 C ATOM 791 CD1 LEU A 48 5.944 0.437 0.982 1.00 0.00 C ATOM 792 CD2 LEU A 48 6.146 2.929 0.942 1.00 0.00 C ATOM 0 H LEU A 48 6.252 1.684 4.846 1.00 0.00 H new ATOM 0 HA LEU A 48 5.374 3.841 3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.765 0.877 3.328 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.959 1.939 2.191 1.00 0.00 H new ATOM 0 HG LEU A 48 6.969 1.627 2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.800 0.372 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.925 -0.438 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.026 0.474 0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.997 2.832 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.230 3.024 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.274 3.815 1.564 1.00 0.00 H new ATOM 804 N ALA A 49 3.001 2.449 5.113 1.00 0.00 N ATOM 805 CA ALA A 49 1.658 2.668 5.641 1.00 0.00 C ATOM 806 C ALA A 49 1.512 4.047 6.281 1.00 0.00 C ATOM 807 O ALA A 49 0.619 4.813 5.923 1.00 0.00 O ATOM 808 CB ALA A 49 1.306 1.584 6.647 1.00 0.00 C ATOM 0 H ALA A 49 3.447 1.590 5.434 1.00 0.00 H new ATOM 0 HA ALA A 49 0.965 2.621 4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.302 1.759 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.343 0.610 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.020 1.606 7.470 1.00 0.00 H new ATOM 814 N ASP A 50 2.392 4.357 7.226 1.00 0.00 N ATOM 815 CA ASP A 50 2.350 5.639 7.928 1.00 0.00 C ATOM 816 C ASP A 50 2.705 6.819 7.019 1.00 0.00 C ATOM 817 O ASP A 50 2.152 7.909 7.166 1.00 0.00 O ATOM 818 CB ASP A 50 3.300 5.612 9.126 1.00 0.00 C ATOM 819 CG ASP A 50 3.246 6.894 9.934 1.00 0.00 C ATOM 820 OD1 ASP A 50 3.998 7.835 9.604 1.00 0.00 O ATOM 821 OD2 ASP A 50 2.452 6.957 10.895 1.00 0.00 O ATOM 0 H ASP A 50 3.145 3.738 7.526 1.00 0.00 H new ATOM 0 HA ASP A 50 1.324 5.783 8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.046 4.769 9.769 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.319 5.449 8.775 1.00 0.00 H new ATOM 826 N HIS A 51 3.623 6.599 6.084 1.00 0.00 N ATOM 827 CA HIS A 51 4.072 7.661 5.183 1.00 0.00 C ATOM 828 C HIS A 51 2.968 8.138 4.239 1.00 0.00 C ATOM 829 O HIS A 51 2.644 9.326 4.209 1.00 0.00 O ATOM 830 CB HIS A 51 5.277 7.194 4.365 1.00 0.00 C ATOM 831 CG HIS A 51 5.907 8.286 3.556 1.00 0.00 C ATOM 832 ND1 HIS A 51 6.957 9.059 3.997 1.00 0.00 N ATOM 833 CD2 HIS A 51 5.612 8.732 2.308 1.00 0.00 C ATOM 834 CE1 HIS A 51 7.260 9.933 3.027 1.00 0.00 C ATOM 835 NE2 HIS A 51 6.473 9.775 1.981 1.00 0.00 N ATOM 0 H HIS A 51 4.072 5.697 5.928 1.00 0.00 H new ATOM 0 HA HIS A 51 4.355 8.505 5.813 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.024 6.775 5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 51 4.964 6.392 3.697 1.00 0.00 H new ATOM 0 HD1 HIS A 51 7.422 8.981 4.901 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.833 8.340 1.671 1.00 0.00 H new ATOM 0 HE1 HIS A 51 8.046 10.670 3.094 1.00 0.00 H new ATOM 843 N LEU A 52 2.401 7.216 3.467 1.00 0.00 N ATOM 844 CA LEU A 52 1.354 7.559 2.505 1.00 0.00 C ATOM 845 C LEU A 52 0.236 8.385 3.140 1.00 0.00 C ATOM 846 O LEU A 52 -0.371 9.227 2.479 1.00 0.00 O ATOM 847 CB LEU A 52 0.781 6.295 1.856 1.00 0.00 C ATOM 848 CG LEU A 52 0.411 5.168 2.820 1.00 0.00 C ATOM 849 CD1 LEU A 52 -1.020 5.322 3.308 1.00 0.00 C ATOM 850 CD2 LEU A 52 0.609 3.816 2.147 1.00 0.00 C ATOM 0 H LEU A 52 2.647 6.226 3.487 1.00 0.00 H new ATOM 0 HA LEU A 52 1.817 8.175 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.108 6.570 1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.510 5.913 1.141 1.00 0.00 H new ATOM 0 HG LEU A 52 1.069 5.225 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.260 4.509 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.127 6.275 3.825 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.700 5.293 2.457 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.342 3.021 2.843 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.026 3.753 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.653 3.706 1.852 1.00 0.00 H new ATOM 862 N ILE A 53 -0.037 8.140 4.419 1.00 0.00 N ATOM 863 CA ILE A 53 -1.086 8.870 5.127 1.00 0.00 C ATOM 864 C ILE A 53 -0.859 10.380 5.062 1.00 0.00 C ATOM 865 O ILE A 53 -1.802 11.154 4.910 1.00 0.00 O ATOM 866 CB ILE A 53 -1.175 8.437 6.606 1.00 0.00 C ATOM 867 CG1 ILE A 53 -1.475 6.941 6.701 1.00 0.00 C ATOM 868 CG2 ILE A 53 -2.241 9.244 7.336 1.00 0.00 C ATOM 869 CD1 ILE A 53 -1.311 6.377 8.097 1.00 0.00 C ATOM 0 H ILE A 53 0.451 7.445 4.984 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.024 8.629 4.627 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.214 8.630 7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.496 6.762 6.363 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.815 6.403 6.021 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.289 8.925 8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.989 10.303 7.292 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.209 9.082 6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.540 5.311 8.088 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.284 6.524 8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.991 6.889 8.778 1.00 0.00 H new ATOM 881 N GLN A 54 0.398 10.793 5.175 1.00 0.00 N ATOM 882 CA GLN A 54 0.745 12.210 5.132 1.00 0.00 C ATOM 883 C GLN A 54 0.433 12.823 3.770 1.00 0.00 C ATOM 884 O GLN A 54 0.176 14.023 3.665 1.00 0.00 O ATOM 885 CB GLN A 54 2.228 12.402 5.455 1.00 0.00 C ATOM 886 CG GLN A 54 2.599 12.017 6.877 1.00 0.00 C ATOM 887 CD GLN A 54 1.911 12.884 7.914 1.00 0.00 C ATOM 888 OE1 GLN A 54 0.810 12.572 8.369 1.00 0.00 O ATOM 889 NE2 GLN A 54 2.558 13.979 8.295 1.00 0.00 N ATOM 0 H GLN A 54 1.194 10.167 5.297 1.00 0.00 H new ATOM 0 HA GLN A 54 0.139 12.720 5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.822 11.808 4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.494 13.446 5.290 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.334 10.973 7.048 1.00 0.00 H new ATOM 0 HG3 GLN A 54 3.679 12.096 7.001 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.469 14.200 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.144 14.600 8.991 1.00 0.00 H new ATOM 898 N SER A 55 0.457 11.998 2.728 1.00 0.00 N ATOM 899 CA SER A 55 0.198 12.473 1.371 1.00 0.00 C ATOM 900 C SER A 55 -1.255 12.905 1.186 1.00 0.00 C ATOM 901 O SER A 55 -1.525 14.053 0.831 1.00 0.00 O ATOM 902 CB SER A 55 0.545 11.383 0.357 1.00 0.00 C ATOM 903 OG SER A 55 0.305 11.824 -0.969 1.00 0.00 O ATOM 0 H SER A 55 0.653 10.999 2.796 1.00 0.00 H new ATOM 0 HA SER A 55 0.830 13.345 1.204 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.592 11.101 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.048 10.491 0.560 1.00 0.00 H new ATOM 0 HG SER A 55 0.536 11.109 -1.598 1.00 0.00 H new ATOM 909 N ALA A 56 -2.188 11.987 1.425 1.00 0.00 N ATOM 910 CA ALA A 56 -3.608 12.288 1.269 1.00 0.00 C ATOM 911 C ALA A 56 -4.387 12.013 2.552 1.00 0.00 C ATOM 912 O ALA A 56 -5.338 12.724 2.876 1.00 0.00 O ATOM 913 CB ALA A 56 -4.191 11.481 0.119 1.00 0.00 C ATOM 0 H ALA A 56 -1.988 11.033 1.726 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.699 13.351 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.251 11.713 0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.669 11.733 -0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.072 10.417 0.324 1.00 0.00 H new ATOM 919 N GLY A 57 -3.977 10.977 3.273 1.00 0.00 N ATOM 920 CA GLY A 57 -4.648 10.616 4.508 1.00 0.00 C ATOM 921 C GLY A 57 -4.658 9.120 4.732 1.00 0.00 C ATOM 922 O GLY A 57 -4.089 8.367 3.943 1.00 0.00 O ATOM 0 H GLY A 57 -3.189 10.378 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.152 11.105 5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.673 10.986 4.485 1.00 0.00 H new ATOM 926 N ALA A 58 -5.304 8.680 5.804 1.00 0.00 N ATOM 927 CA ALA A 58 -5.371 7.259 6.115 1.00 0.00 C ATOM 928 C ALA A 58 -6.219 6.510 5.091 1.00 0.00 C ATOM 929 O ALA A 58 -5.701 5.733 4.292 1.00 0.00 O ATOM 930 CB ALA A 58 -5.922 7.053 7.518 1.00 0.00 C ATOM 0 H ALA A 58 -5.787 9.284 6.470 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.360 6.854 6.071 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.967 5.986 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.271 7.546 8.240 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -6.923 7.479 7.582 1.00 0.00 H new ATOM 936 N ALA A 59 -7.526 6.752 5.119 1.00 0.00 N ATOM 937 CA ALA A 59 -8.447 6.099 4.194 1.00 0.00 C ATOM 938 C ALA A 59 -8.250 6.583 2.759 1.00 0.00 C ATOM 939 O ALA A 59 -8.427 5.823 1.808 1.00 0.00 O ATOM 940 CB ALA A 59 -9.883 6.336 4.634 1.00 0.00 C ATOM 0 H ALA A 59 -7.972 7.396 5.773 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.233 5.030 4.213 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.563 5.845 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -10.030 5.927 5.634 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -10.088 7.407 4.647 1.00 0.00 H new ATOM 946 N SER A 60 -7.880 7.851 2.611 1.00 0.00 N ATOM 947 CA SER A 60 -7.687 8.451 1.291 1.00 0.00 C ATOM 948 C SER A 60 -6.509 7.838 0.533 1.00 0.00 C ATOM 949 O SER A 60 -6.631 7.501 -0.645 1.00 0.00 O ATOM 950 CB SER A 60 -7.477 9.960 1.431 1.00 0.00 C ATOM 951 OG SER A 60 -7.299 10.571 0.164 1.00 0.00 O ATOM 0 H SER A 60 -7.707 8.486 3.390 1.00 0.00 H new ATOM 0 HA SER A 60 -8.588 8.247 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.335 10.404 1.935 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.605 10.152 2.057 1.00 0.00 H new ATOM 0 HG SER A 60 -7.486 11.530 0.234 1.00 0.00 H new ATOM 957 N ALA A 61 -5.370 7.703 1.203 1.00 0.00 N ATOM 958 CA ALA A 61 -4.172 7.157 0.569 1.00 0.00 C ATOM 959 C ALA A 61 -4.273 5.655 0.309 1.00 0.00 C ATOM 960 O ALA A 61 -3.939 5.186 -0.778 1.00 0.00 O ATOM 961 CB ALA A 61 -2.947 7.461 1.414 1.00 0.00 C ATOM 0 H ALA A 61 -5.249 7.963 2.182 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.078 7.642 -0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.061 7.049 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.835 8.540 1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.065 7.012 2.400 1.00 0.00 H new ATOM 967 N VAL A 62 -4.728 4.903 1.308 1.00 0.00 N ATOM 968 CA VAL A 62 -4.843 3.451 1.180 1.00 0.00 C ATOM 969 C VAL A 62 -5.743 3.046 0.013 1.00 0.00 C ATOM 970 O VAL A 62 -5.517 2.014 -0.620 1.00 0.00 O ATOM 971 CB VAL A 62 -5.371 2.814 2.482 1.00 0.00 C ATOM 972 CG1 VAL A 62 -5.586 1.318 2.306 1.00 0.00 C ATOM 973 CG2 VAL A 62 -4.411 3.082 3.631 1.00 0.00 C ATOM 0 H VAL A 62 -5.022 5.272 2.212 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.838 3.079 0.982 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.333 3.269 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.958 0.892 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.313 1.146 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.641 0.843 2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.798 2.626 4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.436 2.655 3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.310 4.157 3.778 1.00 0.00 H new ATOM 983 N THR A 63 -6.757 3.855 -0.274 1.00 0.00 N ATOM 984 CA THR A 63 -7.679 3.554 -1.366 1.00 0.00 C ATOM 985 C THR A 63 -7.027 3.759 -2.731 1.00 0.00 C ATOM 986 O THR A 63 -7.010 2.848 -3.561 1.00 0.00 O ATOM 987 CB THR A 63 -8.955 4.411 -1.286 1.00 0.00 C ATOM 988 OG1 THR A 63 -8.612 5.794 -1.139 1.00 0.00 O ATOM 989 CG2 THR A 63 -9.829 3.973 -0.121 1.00 0.00 C ATOM 0 H THR A 63 -6.962 4.718 0.229 1.00 0.00 H new ATOM 0 HA THR A 63 -7.948 2.503 -1.255 1.00 0.00 H new ATOM 0 HB THR A 63 -9.515 4.274 -2.211 1.00 0.00 H new ATOM 0 HG1 THR A 63 -8.489 6.001 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.725 4.593 -0.085 1.00 0.00 H new ATOM 0 HG22 THR A 63 -10.115 2.930 -0.253 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.274 4.082 0.811 1.00 0.00 H new ATOM 997 N LYS A 64 -6.495 4.955 -2.961 1.00 0.00 N ATOM 998 CA LYS A 64 -5.852 5.273 -4.233 1.00 0.00 C ATOM 999 C LYS A 64 -4.586 4.446 -4.439 1.00 0.00 C ATOM 1000 O LYS A 64 -4.143 4.244 -5.569 1.00 0.00 O ATOM 1001 CB LYS A 64 -5.524 6.769 -4.308 1.00 0.00 C ATOM 1002 CG LYS A 64 -4.629 7.267 -3.181 1.00 0.00 C ATOM 1003 CD LYS A 64 -3.154 7.106 -3.520 1.00 0.00 C ATOM 1004 CE LYS A 64 -2.264 7.612 -2.397 1.00 0.00 C ATOM 1005 NZ LYS A 64 -0.819 7.422 -2.703 1.00 0.00 N ATOM 0 H LYS A 64 -6.496 5.719 -2.285 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.552 5.022 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.038 6.976 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.455 7.335 -4.295 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.844 8.317 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.854 6.717 -2.267 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.937 6.055 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.929 7.651 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.462 8.670 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.511 7.088 -1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.247 7.780 -1.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.624 6.410 -2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.576 7.943 -3.570 1.00 0.00 H new ATOM 1019 N ALA A 65 -4.007 3.972 -3.340 1.00 0.00 N ATOM 1020 CA ALA A 65 -2.791 3.169 -3.400 1.00 0.00 C ATOM 1021 C ALA A 65 -3.005 1.902 -4.225 1.00 0.00 C ATOM 1022 O ALA A 65 -2.082 1.412 -4.874 1.00 0.00 O ATOM 1023 CB ALA A 65 -2.325 2.814 -1.998 1.00 0.00 C ATOM 0 H ALA A 65 -4.361 4.130 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.019 3.762 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.417 2.215 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.121 3.728 -1.440 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.103 2.245 -1.489 1.00 0.00 H new ATOM 1029 N ILE A 66 -4.226 1.379 -4.191 1.00 0.00 N ATOM 1030 CA ILE A 66 -4.564 0.167 -4.931 1.00 0.00 C ATOM 1031 C ILE A 66 -4.429 0.376 -6.438 1.00 0.00 C ATOM 1032 O ILE A 66 -3.887 -0.473 -7.143 1.00 0.00 O ATOM 1033 CB ILE A 66 -6.001 -0.301 -4.613 1.00 0.00 C ATOM 1034 CG1 ILE A 66 -6.100 -0.783 -3.161 1.00 0.00 C ATOM 1035 CG2 ILE A 66 -6.438 -1.400 -5.574 1.00 0.00 C ATOM 1036 CD1 ILE A 66 -5.293 -2.034 -2.874 1.00 0.00 C ATOM 0 H ILE A 66 -5.000 1.776 -3.658 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.858 -0.601 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.672 0.548 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.763 0.015 -2.500 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.146 -0.974 -2.922 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.453 -1.714 -5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.410 -1.022 -6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.764 -2.252 -5.484 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.414 -2.313 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.645 -2.847 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.240 -1.843 -3.079 1.00 0.00 H new ATOM 1048 N ASN A 67 -4.920 1.513 -6.921 1.00 0.00 N ATOM 1049 CA ASN A 67 -4.873 1.831 -8.347 1.00 0.00 C ATOM 1050 C ASN A 67 -3.439 1.970 -8.855 1.00 0.00 C ATOM 1051 O ASN A 67 -3.133 1.579 -9.980 1.00 0.00 O ATOM 1052 CB ASN A 67 -5.649 3.119 -8.621 1.00 0.00 C ATOM 1053 CG ASN A 67 -7.136 2.964 -8.368 1.00 0.00 C ATOM 1054 OD1 ASN A 67 -7.613 3.167 -7.251 1.00 0.00 O ATOM 1055 ND2 ASN A 67 -7.878 2.603 -9.408 1.00 0.00 N ATOM 0 H ASN A 67 -5.357 2.233 -6.345 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.335 1.002 -8.884 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -5.257 3.917 -7.990 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.489 3.423 -9.655 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.885 2.484 -9.299 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.441 2.445 -10.316 1.00 0.00 H new ATOM 1062 N ILE A 68 -2.566 2.529 -8.024 1.00 0.00 N ATOM 1063 CA ILE A 68 -1.170 2.727 -8.404 1.00 0.00 C ATOM 1064 C ILE A 68 -0.394 1.411 -8.408 1.00 0.00 C ATOM 1065 O ILE A 68 0.270 1.074 -9.386 1.00 0.00 O ATOM 1066 CB ILE A 68 -0.466 3.715 -7.449 1.00 0.00 C ATOM 1067 CG1 ILE A 68 -1.236 5.038 -7.390 1.00 0.00 C ATOM 1068 CG2 ILE A 68 0.973 3.951 -7.890 1.00 0.00 C ATOM 1069 CD1 ILE A 68 -0.711 6.002 -6.347 1.00 0.00 C ATOM 0 H ILE A 68 -2.798 2.853 -7.085 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.179 3.138 -9.413 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.450 3.280 -6.450 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.194 5.517 -8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -2.285 4.828 -7.183 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.453 4.650 -7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.515 3.006 -7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.981 4.367 -8.898 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -1.305 6.916 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.779 5.543 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.330 6.242 -6.565 1.00 0.00 H new ATOM 1081 N PHE A 69 -0.491 0.674 -7.309 1.00 0.00 N ATOM 1082 CA PHE A 69 0.215 -0.596 -7.161 1.00 0.00 C ATOM 1083 C PHE A 69 -0.217 -1.631 -8.199 1.00 0.00 C ATOM 1084 O PHE A 69 0.617 -2.360 -8.736 1.00 0.00 O ATOM 1085 CB PHE A 69 -0.015 -1.156 -5.756 1.00 0.00 C ATOM 1086 CG PHE A 69 0.588 -2.515 -5.548 1.00 0.00 C ATOM 1087 CD1 PHE A 69 1.955 -2.662 -5.370 1.00 0.00 C ATOM 1088 CD2 PHE A 69 -0.213 -3.646 -5.528 1.00 0.00 C ATOM 1089 CE1 PHE A 69 2.511 -3.912 -5.179 1.00 0.00 C ATOM 1090 CE2 PHE A 69 0.338 -4.898 -5.336 1.00 0.00 C ATOM 1091 CZ PHE A 69 1.702 -5.031 -5.162 1.00 0.00 C ATOM 0 H PHE A 69 -1.056 0.935 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 69 1.274 -0.395 -7.320 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.405 -0.465 -5.025 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.087 -1.210 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.592 -1.790 -5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -1.280 -3.547 -5.664 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.578 -4.014 -5.043 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.297 -5.772 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.135 -6.009 -5.013 1.00 0.00 H new ATOM 1101 N GLN A 70 -1.514 -1.696 -8.478 1.00 0.00 N ATOM 1102 CA GLN A 70 -2.037 -2.676 -9.426 1.00 0.00 C ATOM 1103 C GLN A 70 -1.553 -2.422 -10.856 1.00 0.00 C ATOM 1104 O GLN A 70 -0.893 -3.268 -11.456 1.00 0.00 O ATOM 1105 CB GLN A 70 -3.576 -2.709 -9.370 1.00 0.00 C ATOM 1106 CG GLN A 70 -4.262 -1.461 -9.906 1.00 0.00 C ATOM 1107 CD GLN A 70 -5.769 -1.519 -9.759 1.00 0.00 C ATOM 1108 OE1 GLN A 70 -6.324 -1.090 -8.748 1.00 0.00 O ATOM 1109 NE2 GLN A 70 -6.442 -2.054 -10.772 1.00 0.00 N ATOM 0 H GLN A 70 -2.220 -1.086 -8.065 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.649 -3.650 -9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -3.928 -3.571 -9.937 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.885 -2.860 -8.336 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -3.882 -0.586 -9.378 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -4.007 -1.334 -10.958 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.942 -2.398 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.459 -2.121 -10.730 1.00 0.00 H new ATOM 1118 N LYS A 71 -1.853 -1.245 -11.383 1.00 0.00 N ATOM 1119 CA LYS A 71 -1.492 -0.895 -12.752 1.00 0.00 C ATOM 1120 C LYS A 71 0.020 -0.831 -12.966 1.00 0.00 C ATOM 1121 O LYS A 71 0.478 -0.694 -14.101 1.00 0.00 O ATOM 1122 CB LYS A 71 -2.130 0.447 -13.122 1.00 0.00 C ATOM 1123 CG LYS A 71 -2.057 0.775 -14.606 1.00 0.00 C ATOM 1124 CD LYS A 71 -2.786 2.071 -14.931 1.00 0.00 C ATOM 1125 CE LYS A 71 -4.285 1.945 -14.697 1.00 0.00 C ATOM 1126 NZ LYS A 71 -5.019 3.169 -15.122 1.00 0.00 N ATOM 0 H LYS A 71 -2.350 -0.509 -10.880 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.871 -1.685 -13.401 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.175 0.439 -12.812 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.637 1.240 -12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.013 0.858 -14.910 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.492 -0.042 -15.181 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.388 2.877 -14.315 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.601 2.342 -15.970 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.667 1.084 -15.246 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.473 1.758 -13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.036 3.042 -14.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.673 3.987 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.861 3.334 -16.137 1.00 0.00 H new ATOM 1140 N LEU A 72 0.801 -0.936 -11.893 1.00 0.00 N ATOM 1141 CA LEU A 72 2.252 -0.832 -12.026 1.00 0.00 C ATOM 1142 C LEU A 72 2.986 -2.169 -12.057 1.00 0.00 C ATOM 1143 O LEU A 72 3.918 -2.341 -12.843 1.00 0.00 O ATOM 1144 CB LEU A 72 2.797 -0.040 -10.845 1.00 0.00 C ATOM 1145 CG LEU A 72 3.263 1.380 -11.155 1.00 0.00 C ATOM 1146 CD1 LEU A 72 4.430 1.364 -12.133 1.00 0.00 C ATOM 1147 CD2 LEU A 72 2.117 2.218 -11.701 1.00 0.00 C ATOM 0 H LEU A 72 0.464 -1.089 -10.943 1.00 0.00 H new ATOM 0 HA LEU A 72 2.427 -0.347 -12.986 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.024 0.011 -10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.634 -0.592 -10.417 1.00 0.00 H new ATOM 0 HG LEU A 72 3.604 1.834 -10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.746 2.387 -12.340 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.261 0.808 -11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.120 0.885 -13.062 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.473 3.226 -11.915 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.739 1.765 -12.617 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.316 2.265 -10.963 1.00 0.00 H new ATOM 1159 N ASN A 73 2.582 -3.117 -11.219 1.00 0.00 N ATOM 1160 CA ASN A 73 3.280 -4.403 -11.182 1.00 0.00 C ATOM 1161 C ASN A 73 2.379 -5.615 -11.403 1.00 0.00 C ATOM 1162 O ASN A 73 2.667 -6.463 -12.247 1.00 0.00 O ATOM 1163 CB ASN A 73 4.010 -4.553 -9.847 1.00 0.00 C ATOM 1164 CG ASN A 73 4.844 -3.335 -9.506 1.00 0.00 C ATOM 1165 OD1 ASN A 73 6.013 -3.244 -9.882 1.00 0.00 O ATOM 1166 ND2 ASN A 73 4.247 -2.390 -8.789 1.00 0.00 N ATOM 0 H ASN A 73 1.798 -3.028 -10.572 1.00 0.00 H new ATOM 0 HA ASN A 73 3.980 -4.387 -12.017 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.281 -4.725 -9.055 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.653 -5.432 -9.884 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.759 -1.547 -8.529 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.276 -2.507 -8.499 1.00 0.00 H new ATOM 1173 N TYR A 74 1.293 -5.698 -10.642 1.00 0.00 N ATOM 1174 CA TYR A 74 0.401 -6.858 -10.720 1.00 0.00 C ATOM 1175 C TYR A 74 -1.079 -6.487 -10.672 1.00 0.00 C ATOM 1176 O TYR A 74 -1.785 -6.861 -9.736 1.00 0.00 O ATOM 1177 CB TYR A 74 0.727 -7.846 -9.600 1.00 0.00 C ATOM 1178 CG TYR A 74 2.094 -8.478 -9.727 1.00 0.00 C ATOM 1179 CD1 TYR A 74 2.322 -9.506 -10.633 1.00 0.00 C ATOM 1180 CD2 TYR A 74 3.156 -8.049 -8.940 1.00 0.00 C ATOM 1181 CE1 TYR A 74 3.569 -10.088 -10.754 1.00 0.00 C ATOM 1182 CE2 TYR A 74 4.406 -8.625 -9.055 1.00 0.00 C ATOM 1183 CZ TYR A 74 4.607 -9.644 -9.962 1.00 0.00 C ATOM 1184 OH TYR A 74 5.851 -10.221 -10.079 1.00 0.00 O ATOM 0 H TYR A 74 1.008 -4.986 -9.970 1.00 0.00 H new ATOM 0 HA TYR A 74 0.576 -7.320 -11.692 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.662 -7.330 -8.642 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.028 -8.632 -9.590 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.510 -9.856 -11.253 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.001 -7.253 -8.227 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.730 -10.886 -11.464 1.00 0.00 H new ATOM 0 HE2 TYR A 74 5.222 -8.279 -8.438 1.00 0.00 H new ATOM 0 HH TYR A 74 6.535 -9.520 -10.118 1.00 0.00 H new ATOM 1194 N MET A 75 -1.542 -5.739 -11.665 1.00 0.00 N ATOM 1195 CA MET A 75 -2.943 -5.323 -11.722 1.00 0.00 C ATOM 1196 C MET A 75 -3.902 -6.510 -11.580 1.00 0.00 C ATOM 1197 O MET A 75 -5.102 -6.321 -11.386 1.00 0.00 O ATOM 1198 CB MET A 75 -3.224 -4.595 -13.038 1.00 0.00 C ATOM 1199 CG MET A 75 -2.975 -5.450 -14.271 1.00 0.00 C ATOM 1200 SD MET A 75 -3.559 -4.673 -15.791 1.00 0.00 S ATOM 1201 CE MET A 75 -2.589 -3.167 -15.804 1.00 0.00 C ATOM 0 H MET A 75 -0.971 -5.407 -12.442 1.00 0.00 H new ATOM 0 HA MET A 75 -3.114 -4.650 -10.882 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.261 -4.258 -13.043 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.599 -3.704 -13.092 1.00 0.00 H new ATOM 0 HG2 MET A 75 -1.907 -5.651 -14.358 1.00 0.00 H new ATOM 0 HG3 MET A 75 -3.472 -6.412 -14.146 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.441 -2.838 -16.833 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.114 -2.391 -15.247 1.00 0.00 H new ATOM 0 HE3 MET A 75 -1.620 -3.354 -15.340 1.00 0.00 H new ATOM 1211 N HIS A 76 -3.374 -7.726 -11.678 1.00 0.00 N ATOM 1212 CA HIS A 76 -4.197 -8.930 -11.571 1.00 0.00 C ATOM 1213 C HIS A 76 -4.493 -9.297 -10.112 1.00 0.00 C ATOM 1214 O HIS A 76 -5.651 -9.498 -9.742 1.00 0.00 O ATOM 1215 CB HIS A 76 -3.505 -10.099 -12.276 1.00 0.00 C ATOM 1216 CG HIS A 76 -4.338 -11.342 -12.344 1.00 0.00 C ATOM 1217 ND1 HIS A 76 -4.059 -12.492 -11.641 1.00 0.00 N ATOM 1218 CD2 HIS A 76 -5.464 -11.604 -13.057 1.00 0.00 C ATOM 1219 CE1 HIS A 76 -4.999 -13.398 -11.944 1.00 0.00 C ATOM 1220 NE2 HIS A 76 -5.876 -12.908 -12.798 1.00 0.00 N ATOM 0 H HIS A 76 -2.382 -7.906 -11.831 1.00 0.00 H new ATOM 0 HA HIS A 76 -5.151 -8.721 -12.056 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -3.239 -9.795 -13.288 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -2.574 -10.325 -11.756 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -5.961 -10.911 -13.720 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.034 -14.399 -11.541 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -6.688 -13.386 -13.188 1.00 0.00 H new ATOM 1228 N ILE A 77 -3.449 -9.389 -9.289 1.00 0.00 N ATOM 1229 CA ILE A 77 -3.612 -9.751 -7.879 1.00 0.00 C ATOM 1230 C ILE A 77 -4.248 -8.621 -7.068 1.00 0.00 C ATOM 1231 O ILE A 77 -5.181 -8.849 -6.297 1.00 0.00 O ATOM 1232 CB ILE A 77 -2.265 -10.152 -7.235 1.00 0.00 C ATOM 1233 CG1 ILE A 77 -2.475 -10.621 -5.794 1.00 0.00 C ATOM 1234 CG2 ILE A 77 -1.285 -8.991 -7.270 1.00 0.00 C ATOM 1235 CD1 ILE A 77 -1.317 -11.428 -5.245 1.00 0.00 C ATOM 0 H ILE A 77 -2.484 -9.219 -9.572 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.282 -10.610 -7.860 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.847 -10.976 -7.813 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.635 -9.751 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.382 -11.223 -5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.344 -9.295 -6.812 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.106 -8.697 -8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.701 -8.147 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.535 -11.727 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.170 -12.317 -5.858 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.411 -10.822 -5.261 1.00 0.00 H new ATOM 1247 N ALA A 78 -3.741 -7.406 -7.246 1.00 0.00 N ATOM 1248 CA ALA A 78 -4.249 -6.246 -6.522 1.00 0.00 C ATOM 1249 C ALA A 78 -5.732 -6.020 -6.798 1.00 0.00 C ATOM 1250 O ALA A 78 -6.461 -5.520 -5.941 1.00 0.00 O ATOM 1251 CB ALA A 78 -3.447 -5.008 -6.888 1.00 0.00 C ATOM 0 H ALA A 78 -2.976 -7.198 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.137 -6.441 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.835 -4.148 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.400 -5.162 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.530 -4.824 -7.959 1.00 0.00 H new ATOM 1257 N ASN A 79 -6.172 -6.387 -7.997 1.00 0.00 N ATOM 1258 CA ASN A 79 -7.569 -6.221 -8.385 1.00 0.00 C ATOM 1259 C ASN A 79 -8.508 -6.855 -7.362 1.00 0.00 C ATOM 1260 O ASN A 79 -9.504 -6.254 -6.967 1.00 0.00 O ATOM 1261 CB ASN A 79 -7.813 -6.838 -9.764 1.00 0.00 C ATOM 1262 CG ASN A 79 -9.239 -6.643 -10.240 1.00 0.00 C ATOM 1263 OD1 ASN A 79 -9.891 -5.656 -9.899 1.00 0.00 O ATOM 1264 ND2 ASN A 79 -9.733 -7.587 -11.034 1.00 0.00 N ATOM 0 H ASN A 79 -5.581 -6.802 -8.718 1.00 0.00 H new ATOM 0 HA ASN A 79 -7.778 -5.152 -8.425 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.128 -6.392 -10.485 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.588 -7.904 -9.727 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.687 -7.510 -11.386 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -9.158 -8.389 -11.292 1.00 0.00 H new ATOM 1271 N ALA A 80 -8.185 -8.075 -6.943 1.00 0.00 N ATOM 1272 CA ALA A 80 -9.001 -8.792 -5.967 1.00 0.00 C ATOM 1273 C ALA A 80 -8.859 -8.195 -4.568 1.00 0.00 C ATOM 1274 O ALA A 80 -9.804 -8.208 -3.779 1.00 0.00 O ATOM 1275 CB ALA A 80 -8.625 -10.266 -5.953 1.00 0.00 C ATOM 0 H ALA A 80 -7.364 -8.588 -7.264 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.045 -8.691 -6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.239 -10.791 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.792 -10.694 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.574 -10.371 -5.686 1.00 0.00 H new ATOM 1281 N LEU A 81 -7.675 -7.672 -4.272 1.00 0.00 N ATOM 1282 CA LEU A 81 -7.391 -7.087 -2.963 1.00 0.00 C ATOM 1283 C LEU A 81 -8.311 -5.908 -2.638 1.00 0.00 C ATOM 1284 O LEU A 81 -8.683 -5.709 -1.482 1.00 0.00 O ATOM 1285 CB LEU A 81 -5.930 -6.636 -2.897 1.00 0.00 C ATOM 1286 CG LEU A 81 -5.522 -5.921 -1.606 1.00 0.00 C ATOM 1287 CD1 LEU A 81 -5.588 -6.873 -0.421 1.00 0.00 C ATOM 1288 CD2 LEU A 81 -4.125 -5.335 -1.745 1.00 0.00 C ATOM 0 H LEU A 81 -6.891 -7.640 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.576 -7.861 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.291 -7.510 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.734 -5.971 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.223 -5.106 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.294 -6.345 0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.606 -7.246 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.911 -7.710 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.849 -4.830 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.413 -6.135 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.111 -4.619 -2.567 1.00 0.00 H new ATOM 1300 N GLU A 82 -8.675 -5.129 -3.654 1.00 0.00 N ATOM 1301 CA GLU A 82 -9.536 -3.962 -3.450 1.00 0.00 C ATOM 1302 C GLU A 82 -10.872 -4.350 -2.812 1.00 0.00 C ATOM 1303 O GLU A 82 -11.507 -3.533 -2.145 1.00 0.00 O ATOM 1304 CB GLU A 82 -9.774 -3.231 -4.776 1.00 0.00 C ATOM 1305 CG GLU A 82 -10.855 -3.859 -5.638 1.00 0.00 C ATOM 1306 CD GLU A 82 -10.970 -3.201 -6.999 1.00 0.00 C ATOM 1307 OE1 GLU A 82 -10.260 -3.634 -7.931 1.00 0.00 O ATOM 1308 OE2 GLU A 82 -11.769 -2.250 -7.134 1.00 0.00 O ATOM 0 H GLU A 82 -8.390 -5.281 -4.622 1.00 0.00 H new ATOM 0 HA GLU A 82 -9.021 -3.291 -2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.046 -2.196 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -8.841 -3.208 -5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.640 -4.920 -5.768 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.813 -3.789 -5.122 1.00 0.00 H new ATOM 1315 N GLU A 83 -11.295 -5.594 -3.022 1.00 0.00 N ATOM 1316 CA GLU A 83 -12.556 -6.082 -2.466 1.00 0.00 C ATOM 1317 C GLU A 83 -12.571 -5.965 -0.944 1.00 0.00 C ATOM 1318 O GLU A 83 -13.622 -5.742 -0.341 1.00 0.00 O ATOM 1319 CB GLU A 83 -12.797 -7.535 -2.882 1.00 0.00 C ATOM 1320 CG GLU A 83 -13.486 -7.679 -4.230 1.00 0.00 C ATOM 1321 CD GLU A 83 -12.795 -6.896 -5.329 1.00 0.00 C ATOM 1322 OE1 GLU A 83 -11.792 -7.399 -5.876 1.00 0.00 O ATOM 1323 OE2 GLU A 83 -13.258 -5.780 -5.644 1.00 0.00 O ATOM 0 H GLU A 83 -10.784 -6.283 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.358 -5.460 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.841 -8.057 -2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -13.402 -8.026 -2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.518 -8.733 -4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -14.519 -7.341 -4.143 1.00 0.00 H new ATOM 1330 N LYS A 84 -11.403 -6.124 -0.330 1.00 0.00 N ATOM 1331 CA LYS A 84 -11.277 -6.037 1.122 1.00 0.00 C ATOM 1332 C LYS A 84 -11.871 -4.735 1.657 1.00 0.00 C ATOM 1333 O LYS A 84 -12.363 -4.686 2.784 1.00 0.00 O ATOM 1334 CB LYS A 84 -9.805 -6.139 1.530 1.00 0.00 C ATOM 1335 CG LYS A 84 -9.584 -6.131 3.035 1.00 0.00 C ATOM 1336 CD LYS A 84 -10.249 -7.321 3.708 1.00 0.00 C ATOM 1337 CE LYS A 84 -9.560 -8.627 3.344 1.00 0.00 C ATOM 1338 NZ LYS A 84 -10.322 -9.809 3.830 1.00 0.00 N ATOM 0 H LYS A 84 -10.527 -6.314 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.834 -6.868 1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -9.385 -7.055 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -9.256 -5.308 1.087 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -8.515 -6.145 3.246 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -9.980 -5.207 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -10.228 -7.187 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -11.297 -7.368 3.413 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -9.446 -8.688 2.262 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -8.557 -8.640 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -9.820 -10.680 3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.409 -9.764 4.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.270 -9.811 3.402 1.00 0.00 H new ATOM 1352 N LYS A 85 -11.822 -3.683 0.843 1.00 0.00 N ATOM 1353 CA LYS A 85 -12.351 -2.381 1.240 1.00 0.00 C ATOM 1354 C LYS A 85 -13.817 -2.486 1.654 1.00 0.00 C ATOM 1355 O LYS A 85 -14.269 -1.779 2.555 1.00 0.00 O ATOM 1356 CB LYS A 85 -12.200 -1.370 0.101 1.00 0.00 C ATOM 1357 CG LYS A 85 -12.696 0.024 0.453 1.00 0.00 C ATOM 1358 CD LYS A 85 -12.492 0.997 -0.698 1.00 0.00 C ATOM 1359 CE LYS A 85 -12.979 2.392 -0.341 1.00 0.00 C ATOM 1360 NZ LYS A 85 -12.751 3.362 -1.448 1.00 0.00 N ATOM 0 H LYS A 85 -11.422 -3.707 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.776 -2.035 2.099 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.150 -1.311 -0.184 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -12.747 -1.732 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -13.754 -0.020 0.710 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.168 0.387 1.335 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -11.435 1.036 -0.960 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.026 0.638 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -14.042 2.355 -0.104 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.464 2.737 0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -12.872 4.331 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.786 3.247 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -13.436 3.186 -2.210 1.00 0.00 H new ATOM 1374 N LYS A 86 -14.553 -3.369 0.986 1.00 0.00 N ATOM 1375 CA LYS A 86 -15.969 -3.570 1.282 1.00 0.00 C ATOM 1376 C LYS A 86 -16.180 -3.896 2.757 1.00 0.00 C ATOM 1377 O LYS A 86 -17.075 -3.350 3.402 1.00 0.00 O ATOM 1378 CB LYS A 86 -16.533 -4.698 0.414 1.00 0.00 C ATOM 1379 CG LYS A 86 -18.021 -4.946 0.621 1.00 0.00 C ATOM 1380 CD LYS A 86 -18.859 -3.748 0.194 1.00 0.00 C ATOM 1381 CE LYS A 86 -18.785 -3.515 -1.308 1.00 0.00 C ATOM 1382 NZ LYS A 86 -19.255 -4.699 -2.080 1.00 0.00 N ATOM 0 H LYS A 86 -14.193 -3.958 0.235 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.497 -2.643 1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.356 -4.460 -0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -15.987 -5.617 0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.326 -5.824 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.210 -5.166 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.897 -3.907 0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.513 -2.857 0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.390 -2.647 -1.571 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -17.758 -3.284 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.447 -4.419 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -18.521 -5.436 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.126 -5.071 -1.650 1.00 0.00 H new ATOM 1396 N GLU A 87 -15.348 -4.788 3.285 1.00 0.00 N ATOM 1397 CA GLU A 87 -15.440 -5.191 4.684 1.00 0.00 C ATOM 1398 C GLU A 87 -14.856 -4.116 5.598 1.00 0.00 C ATOM 1399 O GLU A 87 -15.263 -3.977 6.750 1.00 0.00 O ATOM 1400 CB GLU A 87 -14.708 -6.517 4.901 1.00 0.00 C ATOM 1401 CG GLU A 87 -15.043 -7.186 6.223 1.00 0.00 C ATOM 1402 CD GLU A 87 -16.485 -7.651 6.288 1.00 0.00 C ATOM 1403 OE1 GLU A 87 -17.360 -6.828 6.629 1.00 0.00 O ATOM 1404 OE2 GLU A 87 -16.740 -8.839 5.996 1.00 0.00 O ATOM 0 H GLU A 87 -14.601 -5.247 2.764 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.493 -5.320 4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.956 -7.197 4.086 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -13.633 -6.341 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -14.382 -8.040 6.373 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -14.852 -6.488 7.038 1.00 0.00 H new ATOM 1411 N ALA A 88 -13.896 -3.364 5.074 1.00 0.00 N ATOM 1412 CA ALA A 88 -13.244 -2.302 5.832 1.00 0.00 C ATOM 1413 C ALA A 88 -14.235 -1.227 6.277 1.00 0.00 C ATOM 1414 O ALA A 88 -14.026 -0.565 7.293 1.00 0.00 O ATOM 1415 CB ALA A 88 -12.132 -1.678 5.004 1.00 0.00 C ATOM 0 H ALA A 88 -13.550 -3.471 4.121 1.00 0.00 H new ATOM 0 HA ALA A 88 -12.821 -2.750 6.731 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -11.651 -0.886 5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.396 -2.441 4.750 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.551 -1.259 4.089 1.00 0.00 H new ATOM 1421 N GLU A 89 -15.309 -1.058 5.512 1.00 0.00 N ATOM 1422 CA GLU A 89 -16.323 -0.048 5.816 1.00 0.00 C ATOM 1423 C GLU A 89 -16.799 -0.133 7.266 1.00 0.00 C ATOM 1424 O GLU A 89 -16.896 0.886 7.951 1.00 0.00 O ATOM 1425 CB GLU A 89 -17.516 -0.196 4.870 1.00 0.00 C ATOM 1426 CG GLU A 89 -17.158 -0.007 3.405 1.00 0.00 C ATOM 1427 CD GLU A 89 -18.371 -0.055 2.498 1.00 0.00 C ATOM 1428 OE1 GLU A 89 -18.814 -1.172 2.159 1.00 0.00 O ATOM 1429 OE2 GLU A 89 -18.879 1.024 2.127 1.00 0.00 O ATOM 0 H GLU A 89 -15.502 -1.608 4.675 1.00 0.00 H new ATOM 0 HA GLU A 89 -15.861 0.929 5.674 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.954 -1.185 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -18.280 0.531 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.652 0.950 3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -16.453 -0.782 3.104 1.00 0.00 H new ATOM 1436 N ARG A 90 -17.094 -1.341 7.733 1.00 0.00 N ATOM 1437 CA ARG A 90 -17.562 -1.529 9.104 1.00 0.00 C ATOM 1438 C ARG A 90 -16.424 -1.347 10.103 1.00 0.00 C ATOM 1439 O ARG A 90 -16.657 -1.080 11.282 1.00 0.00 O ATOM 1440 CB ARG A 90 -18.188 -2.914 9.279 1.00 0.00 C ATOM 1441 CG ARG A 90 -17.218 -4.061 9.042 1.00 0.00 C ATOM 1442 CD ARG A 90 -17.791 -5.380 9.528 1.00 0.00 C ATOM 1443 NE ARG A 90 -16.874 -6.494 9.301 1.00 0.00 N ATOM 1444 CZ ARG A 90 -17.087 -7.729 9.750 1.00 0.00 C ATOM 1445 NH1 ARG A 90 -18.176 -8.002 10.456 1.00 0.00 N ATOM 1446 NH2 ARG A 90 -16.210 -8.691 9.493 1.00 0.00 N ATOM 0 H ARG A 90 -17.019 -2.200 7.188 1.00 0.00 H new ATOM 0 HA ARG A 90 -18.320 -0.771 9.299 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -18.592 -2.995 10.288 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -19.028 -3.012 8.591 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -16.989 -4.132 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.279 -3.858 9.558 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -18.016 -5.307 10.592 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -18.733 -5.576 9.016 1.00 0.00 H new ATOM 0 HE ARG A 90 -16.023 -6.316 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -18.852 -7.265 10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.337 -8.949 10.799 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.371 -8.485 8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.375 -9.637 9.838 1.00 0.00 H new ATOM 1460 N LYS A 91 -15.194 -1.492 9.625 1.00 0.00 N ATOM 1461 CA LYS A 91 -14.021 -1.348 10.478 1.00 0.00 C ATOM 1462 C LYS A 91 -13.727 0.122 10.766 1.00 0.00 C ATOM 1463 O LYS A 91 -12.933 0.444 11.650 1.00 0.00 O ATOM 1464 CB LYS A 91 -12.807 -2.007 9.823 1.00 0.00 C ATOM 1465 CG LYS A 91 -13.023 -3.475 9.491 1.00 0.00 C ATOM 1466 CD LYS A 91 -11.799 -4.091 8.832 1.00 0.00 C ATOM 1467 CE LYS A 91 -10.638 -4.210 9.806 1.00 0.00 C ATOM 1468 NZ LYS A 91 -9.463 -4.883 9.187 1.00 0.00 N ATOM 0 H LYS A 91 -14.983 -1.709 8.651 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.230 -1.845 11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -12.559 -1.468 8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -11.949 -1.915 10.489 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -13.259 -4.023 10.403 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -13.882 -3.575 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.052 -5.078 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.499 -3.481 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.349 -3.217 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.957 -4.771 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.892 -5.336 9.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.791 -5.605 8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.884 -4.179 8.686 1.00 0.00 H new ATOM 1482 N LEU A 92 -14.371 1.009 10.013 1.00 0.00 N ATOM 1483 CA LEU A 92 -14.181 2.445 10.191 1.00 0.00 C ATOM 1484 C LEU A 92 -15.360 3.064 10.935 1.00 0.00 C ATOM 1485 O LEU A 92 -15.473 4.285 11.032 1.00 0.00 O ATOM 1486 CB LEU A 92 -14.000 3.133 8.835 1.00 0.00 C ATOM 1487 CG LEU A 92 -12.572 3.121 8.281 1.00 0.00 C ATOM 1488 CD1 LEU A 92 -12.100 1.698 8.026 1.00 0.00 C ATOM 1489 CD2 LEU A 92 -12.492 3.946 7.005 1.00 0.00 C ATOM 0 H LEU A 92 -15.028 0.759 9.274 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.281 2.593 10.787 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -14.657 2.651 8.111 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -14.329 4.168 8.925 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.914 3.567 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -11.083 1.717 7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -12.118 1.136 8.960 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.760 1.220 7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.471 3.928 6.623 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.166 3.527 6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.781 4.975 7.218 1.00 0.00 H new