USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 778 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 72 HIS : no HE2:sc= 0.153 K(o=0.76,f=-0.8) USER MOD Set 1.2: B 116 THR OG1 : rot 123:sc= 0.605 USER MOD Single : A 9 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.147) USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= -5.77! (180deg=-6.25!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -49:sc= 0.554 USER MOD Single : A 25 CYS SG : rot -42:sc= -9.99! USER MOD Single : A 26 SER OG : rot 180:sc= -1.13 USER MOD Single : A 28 SER OG : rot 180:sc= -2.1 USER MOD Single : A 29 SER OG : rot 180:sc= -0.012 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot -130:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-4.7!) USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= -0.0322 (180deg=-0.221) USER MOD Single : A 46 SER OG : rot -110:sc= 0.575 USER MOD Single : A 48 SER OG : rot -82:sc= -2.77! USER MOD Single : A 58 GLN : amide:sc= -3.54 K(o=-3.5,f=-14!) USER MOD Single : A 63 ASN : amide:sc= -0.36 X(o=-0.36,f=-0.21) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.535 X(o=-0.53,f=-0.38) USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= -0.0439 (180deg=-0.28) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 165:sc= -0.0458 (180deg=-0.306) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.0116 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot -111:sc= 1.9 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 139:sc= -2.11! (180deg=-2.7!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : B 111 THR OG1 : rot -23:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 9 -4.319 -2.411 -16.589 1.00 0.00 N ATOM 2 CA LYS A 9 -4.421 -3.047 -15.250 1.00 0.00 C ATOM 3 C LYS A 9 -3.615 -2.274 -14.209 1.00 0.00 C ATOM 4 O LYS A 9 -4.110 -1.978 -13.121 1.00 0.00 O ATOM 5 CB LYS A 9 -3.912 -4.487 -15.354 1.00 0.00 C ATOM 6 CG LYS A 9 -4.924 -5.526 -14.902 1.00 0.00 C ATOM 7 CD LYS A 9 -4.440 -6.938 -15.190 1.00 0.00 C ATOM 8 CE LYS A 9 -5.255 -7.973 -14.430 1.00 0.00 C ATOM 9 NZ LYS A 9 -4.952 -7.957 -12.973 1.00 0.00 N ATOM 0 HA LYS A 9 -5.462 -3.040 -14.928 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.632 -4.691 -16.388 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.008 -4.588 -14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -5.109 -5.415 -13.834 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.874 -5.355 -15.409 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.506 -7.135 -16.260 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.389 -7.027 -14.914 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -6.317 -7.782 -14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.049 -8.965 -14.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.322 -8.823 -12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.923 -7.910 -12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.400 -7.127 -12.534 1.00 0.00 H new ATOM 25 N GLU A 10 -2.374 -1.950 -14.553 1.00 0.00 N ATOM 26 CA GLU A 10 -1.500 -1.212 -13.647 1.00 0.00 C ATOM 27 C GLU A 10 -1.929 0.246 -13.546 1.00 0.00 C ATOM 28 O GLU A 10 -2.155 0.912 -14.557 1.00 0.00 O ATOM 29 CB GLU A 10 -0.048 -1.296 -14.123 1.00 0.00 C ATOM 30 CG GLU A 10 0.436 -2.720 -14.350 1.00 0.00 C ATOM 31 CD GLU A 10 1.849 -2.941 -13.850 1.00 0.00 C ATOM 32 OE1 GLU A 10 2.743 -2.153 -14.226 1.00 0.00 O ATOM 33 OE2 GLU A 10 2.063 -3.904 -13.082 1.00 0.00 O ATOM 0 H GLU A 10 -1.950 -2.186 -15.450 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.578 -1.665 -12.659 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.055 -0.734 -15.051 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.596 -0.815 -13.386 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.237 -3.413 -13.845 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.391 -2.950 -15.415 1.00 0.00 H new ATOM 40 N LYS A 11 -2.041 0.740 -12.316 1.00 0.00 N ATOM 41 CA LYS A 11 -2.446 2.123 -12.079 1.00 0.00 C ATOM 42 C LYS A 11 -1.234 2.989 -11.736 1.00 0.00 C ATOM 43 O LYS A 11 -0.571 2.777 -10.723 1.00 0.00 O ATOM 44 CB LYS A 11 -3.479 2.185 -10.950 1.00 0.00 C ATOM 45 CG LYS A 11 -3.897 3.600 -10.573 1.00 0.00 C ATOM 46 CD LYS A 11 -3.790 3.833 -9.073 1.00 0.00 C ATOM 47 CE LYS A 11 -4.966 3.231 -8.317 1.00 0.00 C ATOM 48 NZ LYS A 11 -5.394 1.924 -8.889 1.00 0.00 N ATOM 0 H LYS A 11 -1.857 0.204 -11.468 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.898 2.511 -12.992 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.364 1.623 -11.249 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.070 1.691 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.269 4.318 -11.099 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.923 3.776 -10.897 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.861 3.398 -8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.742 4.904 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.692 3.095 -7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.804 3.927 -8.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.128 1.504 -8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.776 2.072 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.577 1.282 -8.938 1.00 0.00 H new ATOM 62 N LYS A 12 -0.952 3.969 -12.589 1.00 0.00 N ATOM 63 CA LYS A 12 0.178 4.864 -12.373 1.00 0.00 C ATOM 64 C LYS A 12 -0.221 6.032 -11.478 1.00 0.00 C ATOM 65 O LYS A 12 -1.252 6.668 -11.693 1.00 0.00 O ATOM 66 CB LYS A 12 0.707 5.385 -13.711 1.00 0.00 C ATOM 67 CG LYS A 12 1.939 4.646 -14.208 1.00 0.00 C ATOM 68 CD LYS A 12 3.177 5.027 -13.413 1.00 0.00 C ATOM 69 CE LYS A 12 3.869 6.242 -14.008 1.00 0.00 C ATOM 70 NZ LYS A 12 5.002 5.859 -14.895 1.00 0.00 N ATOM 0 H LYS A 12 -1.489 4.163 -13.434 1.00 0.00 H new ATOM 0 HA LYS A 12 0.968 4.301 -11.875 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.081 5.305 -14.460 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.945 6.444 -13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.774 3.571 -14.133 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.099 4.872 -15.262 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.898 5.236 -12.380 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.870 4.186 -13.392 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.147 6.829 -14.575 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.237 6.880 -13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.447 6.717 -15.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.704 5.321 -14.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.648 5.272 -15.677 1.00 0.00 H new ATOM 84 N VAL A 13 0.599 6.304 -10.468 1.00 0.00 N ATOM 85 CA VAL A 13 0.326 7.392 -9.537 1.00 0.00 C ATOM 86 C VAL A 13 1.606 8.132 -9.159 1.00 0.00 C ATOM 87 O VAL A 13 2.688 7.546 -9.118 1.00 0.00 O ATOM 88 CB VAL A 13 -0.350 6.869 -8.256 1.00 0.00 C ATOM 89 CG1 VAL A 13 -0.740 8.023 -7.344 1.00 0.00 C ATOM 90 CG2 VAL A 13 -1.566 6.025 -8.604 1.00 0.00 C ATOM 0 H VAL A 13 1.456 5.787 -10.274 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.348 8.082 -10.043 1.00 0.00 H new ATOM 0 HB VAL A 13 0.364 6.241 -7.722 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.216 7.631 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.152 8.585 -7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.436 8.680 -7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.032 5.663 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.282 6.630 -9.161 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.257 5.176 -9.214 1.00 0.00 H new ATOM 100 N PHE A 14 1.472 9.425 -8.882 1.00 0.00 N ATOM 101 CA PHE A 14 2.612 10.251 -8.503 1.00 0.00 C ATOM 102 C PHE A 14 2.323 11.009 -7.212 1.00 0.00 C ATOM 103 O PHE A 14 1.269 11.630 -7.068 1.00 0.00 O ATOM 104 CB PHE A 14 2.948 11.239 -9.623 1.00 0.00 C ATOM 105 CG PHE A 14 3.397 10.577 -10.895 1.00 0.00 C ATOM 106 CD1 PHE A 14 2.539 9.744 -11.597 1.00 0.00 C ATOM 107 CD2 PHE A 14 4.674 10.789 -11.388 1.00 0.00 C ATOM 108 CE1 PHE A 14 2.949 9.136 -12.768 1.00 0.00 C ATOM 109 CE2 PHE A 14 5.089 10.182 -12.558 1.00 0.00 C ATOM 110 CZ PHE A 14 4.225 9.355 -13.249 1.00 0.00 C ATOM 0 H PHE A 14 0.583 9.924 -8.913 1.00 0.00 H new ATOM 0 HA PHE A 14 3.467 9.596 -8.338 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.070 11.851 -9.832 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.732 11.913 -9.278 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.540 9.569 -11.225 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.353 11.436 -10.852 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.272 8.490 -13.307 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.088 10.354 -12.932 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.547 8.880 -14.164 1.00 0.00 H new ATOM 120 N ILE A 15 3.262 10.955 -6.274 1.00 0.00 N ATOM 121 CA ILE A 15 3.102 11.638 -4.994 1.00 0.00 C ATOM 122 C ILE A 15 4.233 12.634 -4.756 1.00 0.00 C ATOM 123 O ILE A 15 5.410 12.304 -4.913 1.00 0.00 O ATOM 124 CB ILE A 15 3.057 10.635 -3.825 1.00 0.00 C ATOM 125 CG1 ILE A 15 2.025 9.541 -4.102 1.00 0.00 C ATOM 126 CG2 ILE A 15 2.738 11.352 -2.521 1.00 0.00 C ATOM 127 CD1 ILE A 15 0.620 10.069 -4.297 1.00 0.00 C ATOM 0 H ILE A 15 4.141 10.447 -6.375 1.00 0.00 H new ATOM 0 HA ILE A 15 2.155 12.175 -5.037 1.00 0.00 H new ATOM 0 HB ILE A 15 4.038 10.169 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.324 8.989 -4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.026 8.833 -3.273 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.710 10.629 -1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.507 12.098 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.769 11.843 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.058 9.237 -4.489 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.301 10.596 -3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.603 10.754 -5.145 1.00 0.00 H new ATOM 139 N SER A 16 3.867 13.854 -4.374 1.00 0.00 N ATOM 140 CA SER A 16 4.848 14.900 -4.112 1.00 0.00 C ATOM 141 C SER A 16 4.488 15.679 -2.849 1.00 0.00 C ATOM 142 O SER A 16 3.327 15.713 -2.440 1.00 0.00 O ATOM 143 CB SER A 16 4.939 15.854 -5.305 1.00 0.00 C ATOM 144 OG SER A 16 4.605 15.192 -6.513 1.00 0.00 O ATOM 0 H SER A 16 2.898 14.142 -4.239 1.00 0.00 H new ATOM 0 HA SER A 16 5.817 14.425 -3.961 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.267 16.699 -5.152 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.949 16.258 -5.375 1.00 0.00 H new ATOM 0 HG SER A 16 4.669 15.823 -7.260 1.00 0.00 H new ATOM 150 N LEU A 17 5.490 16.304 -2.239 1.00 0.00 N ATOM 151 CA LEU A 17 5.278 17.082 -1.024 1.00 0.00 C ATOM 152 C LEU A 17 5.063 18.557 -1.355 1.00 0.00 C ATOM 153 O LEU A 17 5.660 19.437 -0.734 1.00 0.00 O ATOM 154 CB LEU A 17 6.474 16.925 -0.080 1.00 0.00 C ATOM 155 CG LEU A 17 6.119 16.849 1.408 1.00 0.00 C ATOM 156 CD1 LEU A 17 6.440 15.470 1.968 1.00 0.00 C ATOM 157 CD2 LEU A 17 6.857 17.926 2.191 1.00 0.00 C ATOM 0 H LEU A 17 6.456 16.287 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 17 4.382 16.706 -0.529 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.018 16.021 -0.355 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.152 17.765 -0.234 1.00 0.00 H new ATOM 0 HG LEU A 17 5.048 17.021 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.180 15.438 3.026 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.865 14.716 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.504 15.268 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.591 17.855 3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.932 17.786 2.077 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.577 18.908 1.811 1.00 0.00 H new ATOM 169 N VAL A 18 4.208 18.818 -2.338 1.00 0.00 N ATOM 170 CA VAL A 18 3.914 20.186 -2.752 1.00 0.00 C ATOM 171 C VAL A 18 2.770 20.773 -1.933 1.00 0.00 C ATOM 172 O VAL A 18 1.625 20.811 -2.384 1.00 0.00 O ATOM 173 CB VAL A 18 3.550 20.255 -4.248 1.00 0.00 C ATOM 174 CG1 VAL A 18 3.396 21.700 -4.697 1.00 0.00 C ATOM 175 CG2 VAL A 18 4.599 19.539 -5.088 1.00 0.00 C ATOM 0 H VAL A 18 3.707 18.101 -2.863 1.00 0.00 H new ATOM 0 HA VAL A 18 4.818 20.770 -2.580 1.00 0.00 H new ATOM 0 HB VAL A 18 2.595 19.750 -4.392 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.139 21.727 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.605 22.178 -4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.334 22.232 -4.538 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.324 19.599 -6.141 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.570 20.012 -4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.655 18.493 -4.786 1.00 0.00 H new ATOM 185 N GLY A 19 3.086 21.232 -0.727 1.00 0.00 N ATOM 186 CA GLY A 19 2.076 21.812 0.138 1.00 0.00 C ATOM 187 C GLY A 19 2.427 21.689 1.606 1.00 0.00 C ATOM 188 O GLY A 19 3.354 22.342 2.087 1.00 0.00 O ATOM 0 H GLY A 19 4.026 21.212 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.948 22.865 -0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.120 21.321 -0.046 1.00 0.00 H new ATOM 192 N SER A 20 1.684 20.851 2.323 1.00 0.00 N ATOM 193 CA SER A 20 1.922 20.645 3.748 1.00 0.00 C ATOM 194 C SER A 20 1.539 19.228 4.165 1.00 0.00 C ATOM 195 O SER A 20 1.121 18.998 5.298 1.00 0.00 O ATOM 196 CB SER A 20 1.128 21.661 4.569 1.00 0.00 C ATOM 197 OG SER A 20 1.506 21.622 5.934 1.00 0.00 O ATOM 0 H SER A 20 0.913 20.304 1.941 1.00 0.00 H new ATOM 0 HA SER A 20 2.986 20.785 3.937 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.293 22.662 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.062 21.453 4.478 1.00 0.00 H new ATOM 0 HG SER A 20 1.502 20.694 6.248 1.00 0.00 H new ATOM 203 N ARG A 21 1.686 18.284 3.240 1.00 0.00 N ATOM 204 CA ARG A 21 1.356 16.890 3.513 1.00 0.00 C ATOM 205 C ARG A 21 2.227 15.953 2.685 1.00 0.00 C ATOM 206 O ARG A 21 2.582 16.262 1.548 1.00 0.00 O ATOM 207 CB ARG A 21 -0.121 16.624 3.217 1.00 0.00 C ATOM 208 CG ARG A 21 -0.600 17.241 1.913 1.00 0.00 C ATOM 209 CD ARG A 21 -1.510 18.435 2.155 1.00 0.00 C ATOM 210 NE ARG A 21 -2.855 18.026 2.555 1.00 0.00 N ATOM 211 CZ ARG A 21 -3.290 18.009 3.815 1.00 0.00 C ATOM 212 NH1 ARG A 21 -2.493 18.375 4.813 1.00 0.00 N ATOM 213 NH2 ARG A 21 -4.530 17.622 4.079 1.00 0.00 N ATOM 0 H ARG A 21 2.031 18.459 2.296 1.00 0.00 H new ATOM 0 HA ARG A 21 1.548 16.699 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.288 15.547 3.183 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.724 17.014 4.037 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.260 17.553 1.321 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.133 16.490 1.329 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.078 19.069 2.930 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.569 19.036 1.248 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.503 17.735 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.537 18.673 4.619 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.837 18.358 5.773 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.148 17.338 3.319 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.866 17.608 5.042 1.00 0.00 H new ATOM 227 N GLY A 22 2.565 14.805 3.262 1.00 0.00 N ATOM 228 CA GLY A 22 3.390 13.840 2.560 1.00 0.00 C ATOM 229 C GLY A 22 2.622 13.094 1.488 1.00 0.00 C ATOM 230 O GLY A 22 3.020 13.084 0.324 1.00 0.00 O ATOM 0 H GLY A 22 2.283 14.526 4.202 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.237 14.353 2.105 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.797 13.125 3.275 1.00 0.00 H new ATOM 234 N LEU A 23 1.518 12.466 1.881 1.00 0.00 N ATOM 235 CA LEU A 23 0.694 11.713 0.949 1.00 0.00 C ATOM 236 C LEU A 23 -0.775 11.769 1.362 1.00 0.00 C ATOM 237 O LEU A 23 -1.613 12.311 0.642 1.00 0.00 O ATOM 238 CB LEU A 23 1.176 10.259 0.884 1.00 0.00 C ATOM 239 CG LEU A 23 0.154 9.248 0.364 1.00 0.00 C ATOM 240 CD1 LEU A 23 -0.151 9.501 -1.103 1.00 0.00 C ATOM 241 CD2 LEU A 23 0.657 7.828 0.570 1.00 0.00 C ATOM 0 H LEU A 23 1.175 12.465 2.842 1.00 0.00 H new ATOM 0 HA LEU A 23 0.786 12.161 -0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.060 10.216 0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.488 9.953 1.883 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.769 9.371 0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.880 8.771 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.557 10.506 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.765 9.408 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.083 7.122 0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.595 7.692 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.821 7.651 1.633 1.00 0.00 H new ATOM 253 N GLY A 24 -1.079 11.196 2.522 1.00 0.00 N ATOM 254 CA GLY A 24 -2.445 11.183 3.010 1.00 0.00 C ATOM 255 C GLY A 24 -3.061 9.799 2.942 1.00 0.00 C ATOM 256 O GLY A 24 -4.249 9.653 2.650 1.00 0.00 O ATOM 0 H GLY A 24 -0.402 10.740 3.134 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.465 11.538 4.040 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.046 11.876 2.422 1.00 0.00 H new ATOM 260 N CYS A 25 -2.247 8.782 3.203 1.00 0.00 N ATOM 261 CA CYS A 25 -2.706 7.398 3.161 1.00 0.00 C ATOM 262 C CYS A 25 -1.758 6.496 3.950 1.00 0.00 C ATOM 263 O CYS A 25 -0.612 6.863 4.210 1.00 0.00 O ATOM 264 CB CYS A 25 -2.819 6.941 1.699 1.00 0.00 C ATOM 265 SG CYS A 25 -2.772 5.148 1.438 1.00 0.00 S ATOM 0 H CYS A 25 -1.263 8.891 3.447 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.690 7.328 3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.751 7.327 1.287 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -2.007 7.395 1.131 1.00 0.00 H new ATOM 0 HG CYS A 25 -1.855 4.623 2.196 1.00 0.00 H new ATOM 271 N SER A 26 -2.241 5.316 4.330 1.00 0.00 N ATOM 272 CA SER A 26 -1.432 4.369 5.088 1.00 0.00 C ATOM 273 C SER A 26 -1.166 3.113 4.264 1.00 0.00 C ATOM 274 O SER A 26 -1.707 2.955 3.170 1.00 0.00 O ATOM 275 CB SER A 26 -2.134 3.999 6.395 1.00 0.00 C ATOM 276 OG SER A 26 -1.908 4.978 7.394 1.00 0.00 O ATOM 0 H SER A 26 -3.187 4.994 4.125 1.00 0.00 H new ATOM 0 HA SER A 26 -0.478 4.842 5.321 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.205 3.896 6.219 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.774 3.031 6.743 1.00 0.00 H new ATOM 0 HG SER A 26 -2.369 4.717 8.218 1.00 0.00 H new ATOM 282 N ILE A 27 -0.326 2.226 4.790 1.00 0.00 N ATOM 283 CA ILE A 27 0.008 0.991 4.092 1.00 0.00 C ATOM 284 C ILE A 27 -0.025 -0.207 5.036 1.00 0.00 C ATOM 285 O ILE A 27 0.173 -0.068 6.242 1.00 0.00 O ATOM 286 CB ILE A 27 1.396 1.072 3.429 1.00 0.00 C ATOM 287 CG1 ILE A 27 2.424 1.637 4.410 1.00 0.00 C ATOM 288 CG2 ILE A 27 1.331 1.924 2.170 1.00 0.00 C ATOM 289 CD1 ILE A 27 3.819 1.732 3.833 1.00 0.00 C ATOM 0 H ILE A 27 0.134 2.340 5.693 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.747 0.858 3.317 1.00 0.00 H new ATOM 0 HB ILE A 27 1.708 0.066 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.103 2.629 4.729 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.449 1.008 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.319 1.972 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.626 1.481 1.467 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.001 2.930 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.496 2.141 4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.160 0.739 3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.808 2.385 2.960 1.00 0.00 H new ATOM 301 N SER A 28 -0.281 -1.382 4.471 1.00 0.00 N ATOM 302 CA SER A 28 -0.350 -2.616 5.245 1.00 0.00 C ATOM 303 C SER A 28 0.489 -3.709 4.589 1.00 0.00 C ATOM 304 O SER A 28 0.848 -3.604 3.418 1.00 0.00 O ATOM 305 CB SER A 28 -1.801 -3.079 5.383 1.00 0.00 C ATOM 306 OG SER A 28 -2.439 -3.147 4.120 1.00 0.00 O ATOM 0 H SER A 28 -0.445 -1.506 3.472 1.00 0.00 H new ATOM 0 HA SER A 28 0.052 -2.419 6.239 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.829 -4.058 5.861 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.345 -2.392 6.032 1.00 0.00 H new ATOM 0 HG SER A 28 -3.365 -3.447 4.237 1.00 0.00 H new ATOM 312 N SER A 29 0.805 -4.752 5.349 1.00 0.00 N ATOM 313 CA SER A 29 1.605 -5.853 4.826 1.00 0.00 C ATOM 314 C SER A 29 0.732 -7.072 4.545 1.00 0.00 C ATOM 315 O SER A 29 -0.186 -7.379 5.306 1.00 0.00 O ATOM 316 CB SER A 29 2.715 -6.220 5.814 1.00 0.00 C ATOM 317 OG SER A 29 2.194 -6.409 7.118 1.00 0.00 O ATOM 0 H SER A 29 0.521 -4.858 6.323 1.00 0.00 H new ATOM 0 HA SER A 29 2.057 -5.529 3.889 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.215 -7.130 5.483 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.467 -5.431 5.830 1.00 0.00 H new ATOM 0 HG SER A 29 2.922 -6.644 7.730 1.00 0.00 H new ATOM 323 N GLY A 30 1.022 -7.758 3.445 1.00 0.00 N ATOM 324 CA GLY A 30 0.251 -8.931 3.073 1.00 0.00 C ATOM 325 C GLY A 30 0.797 -10.208 3.682 1.00 0.00 C ATOM 326 O GLY A 30 1.840 -10.190 4.337 1.00 0.00 O ATOM 0 H GLY A 30 1.779 -7.523 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.783 -8.796 3.389 1.00 0.00 H new ATOM 0 HA3 GLY A 30 0.243 -9.026 1.987 1.00 0.00 H new ATOM 330 N PRO A 31 0.106 -11.344 3.484 1.00 0.00 N ATOM 331 CA PRO A 31 0.537 -12.636 4.025 1.00 0.00 C ATOM 332 C PRO A 31 1.772 -13.183 3.320 1.00 0.00 C ATOM 333 O PRO A 31 2.436 -12.470 2.566 1.00 0.00 O ATOM 334 CB PRO A 31 -0.668 -13.545 3.772 1.00 0.00 C ATOM 335 CG PRO A 31 -1.357 -12.940 2.599 1.00 0.00 C ATOM 336 CD PRO A 31 -1.150 -11.455 2.717 1.00 0.00 C ATOM 0 HA PRO A 31 0.822 -12.561 5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.355 -14.568 3.564 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.325 -13.583 4.641 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.942 -13.319 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.419 -13.187 2.600 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.066 -10.982 1.739 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.980 -10.973 3.234 1.00 0.00 H new ATOM 344 N ILE A 32 2.074 -14.451 3.572 1.00 0.00 N ATOM 345 CA ILE A 32 3.228 -15.103 2.964 1.00 0.00 C ATOM 346 C ILE A 32 2.939 -15.506 1.520 1.00 0.00 C ATOM 347 O ILE A 32 3.859 -15.705 0.727 1.00 0.00 O ATOM 348 CB ILE A 32 3.644 -16.354 3.763 1.00 0.00 C ATOM 349 CG1 ILE A 32 3.899 -15.990 5.227 1.00 0.00 C ATOM 350 CG2 ILE A 32 4.880 -16.994 3.147 1.00 0.00 C ATOM 351 CD1 ILE A 32 3.470 -17.067 6.200 1.00 0.00 C ATOM 0 H ILE A 32 1.534 -15.050 4.196 1.00 0.00 H new ATOM 0 HA ILE A 32 4.045 -14.381 2.976 1.00 0.00 H new ATOM 0 HB ILE A 32 2.829 -17.077 3.724 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.962 -15.790 5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.368 -15.067 5.462 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.159 -17.876 3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 32 4.665 -17.286 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.703 -16.279 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.680 -16.742 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.401 -17.251 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.019 -17.985 5.992 1.00 0.00 H new ATOM 363 N GLN A 33 1.659 -15.630 1.186 1.00 0.00 N ATOM 364 CA GLN A 33 1.254 -16.015 -0.160 1.00 0.00 C ATOM 365 C GLN A 33 1.494 -14.881 -1.151 1.00 0.00 C ATOM 366 O GLN A 33 1.757 -15.119 -2.330 1.00 0.00 O ATOM 367 CB GLN A 33 -0.222 -16.418 -0.172 1.00 0.00 C ATOM 368 CG GLN A 33 -0.592 -17.395 0.931 1.00 0.00 C ATOM 369 CD GLN A 33 -0.090 -18.800 0.659 1.00 0.00 C ATOM 370 OE1 GLN A 33 -0.392 -19.390 -0.377 1.00 0.00 O ATOM 371 NE2 GLN A 33 0.683 -19.340 1.594 1.00 0.00 N ATOM 0 H GLN A 33 0.884 -15.469 1.830 1.00 0.00 H new ATOM 0 HA GLN A 33 1.861 -16.868 -0.465 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.836 -15.523 -0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.461 -16.864 -1.137 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.180 -17.043 1.877 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.676 -17.416 1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.907 -18.812 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.053 -20.282 1.468 1.00 0.00 H new ATOM 380 N LYS A 34 1.402 -13.645 -0.666 1.00 0.00 N ATOM 381 CA LYS A 34 1.611 -12.478 -1.515 1.00 0.00 C ATOM 382 C LYS A 34 2.234 -11.330 -0.720 1.00 0.00 C ATOM 383 O LYS A 34 1.616 -10.280 -0.542 1.00 0.00 O ATOM 384 CB LYS A 34 0.286 -12.029 -2.136 1.00 0.00 C ATOM 385 CG LYS A 34 0.041 -12.601 -3.522 1.00 0.00 C ATOM 386 CD LYS A 34 -1.040 -11.827 -4.261 1.00 0.00 C ATOM 387 CE LYS A 34 -1.803 -12.719 -5.225 1.00 0.00 C ATOM 388 NZ LYS A 34 -1.216 -12.691 -6.593 1.00 0.00 N ATOM 0 H LYS A 34 1.185 -13.428 0.307 1.00 0.00 H new ATOM 0 HA LYS A 34 2.300 -12.757 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.532 -12.325 -1.480 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.271 -10.941 -2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.967 -12.574 -4.097 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.252 -13.648 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.733 -11.391 -3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.587 -11.001 -4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.801 -13.743 -4.851 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.844 -12.398 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.766 -13.313 -7.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.241 -11.719 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.231 -13.022 -6.555 1.00 0.00 H new ATOM 402 N PRO A 35 3.473 -11.514 -0.232 1.00 0.00 N ATOM 403 CA PRO A 35 4.178 -10.488 0.543 1.00 0.00 C ATOM 404 C PRO A 35 4.473 -9.244 -0.290 1.00 0.00 C ATOM 405 O PRO A 35 5.246 -9.296 -1.247 1.00 0.00 O ATOM 406 CB PRO A 35 5.489 -11.171 0.961 1.00 0.00 C ATOM 407 CG PRO A 35 5.265 -12.629 0.737 1.00 0.00 C ATOM 408 CD PRO A 35 4.285 -12.729 -0.395 1.00 0.00 C ATOM 0 HA PRO A 35 3.582 -10.142 1.388 1.00 0.00 H new ATOM 0 HB2 PRO A 35 6.328 -10.807 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.724 -10.965 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.199 -13.134 0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.873 -13.106 1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.786 -12.754 -1.363 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.679 -13.632 -0.327 1.00 0.00 H new ATOM 416 N GLY A 36 3.853 -8.128 0.079 1.00 0.00 N ATOM 417 CA GLY A 36 4.066 -6.891 -0.647 1.00 0.00 C ATOM 418 C GLY A 36 3.632 -5.674 0.142 1.00 0.00 C ATOM 419 O GLY A 36 3.557 -5.719 1.371 1.00 0.00 O ATOM 0 H GLY A 36 3.208 -8.059 0.866 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.122 -6.799 -0.899 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.516 -6.926 -1.587 1.00 0.00 H new ATOM 423 N ILE A 37 3.348 -4.584 -0.561 1.00 0.00 N ATOM 424 CA ILE A 37 2.920 -3.351 0.086 1.00 0.00 C ATOM 425 C ILE A 37 1.463 -3.043 -0.233 1.00 0.00 C ATOM 426 O ILE A 37 1.096 -2.842 -1.391 1.00 0.00 O ATOM 427 CB ILE A 37 3.793 -2.155 -0.341 1.00 0.00 C ATOM 428 CG1 ILE A 37 5.273 -2.538 -0.297 1.00 0.00 C ATOM 429 CG2 ILE A 37 3.524 -0.958 0.560 1.00 0.00 C ATOM 430 CD1 ILE A 37 5.758 -2.911 1.085 1.00 0.00 C ATOM 0 H ILE A 37 3.406 -4.529 -1.578 1.00 0.00 H new ATOM 0 HA ILE A 37 3.031 -3.503 1.160 1.00 0.00 H new ATOM 0 HB ILE A 37 3.537 -1.881 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.443 -3.377 -0.972 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.867 -1.704 -0.669 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.147 -0.120 0.248 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.474 -0.676 0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.758 -1.219 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.816 -3.171 1.042 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.620 -2.066 1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.189 -3.765 1.452 1.00 0.00 H new ATOM 442 N PHE A 38 0.635 -3.010 0.804 1.00 0.00 N ATOM 443 CA PHE A 38 -0.786 -2.730 0.643 1.00 0.00 C ATOM 444 C PHE A 38 -1.099 -1.280 0.993 1.00 0.00 C ATOM 445 O PHE A 38 -0.243 -0.551 1.493 1.00 0.00 O ATOM 446 CB PHE A 38 -1.615 -3.660 1.532 1.00 0.00 C ATOM 447 CG PHE A 38 -2.114 -4.887 0.826 1.00 0.00 C ATOM 448 CD1 PHE A 38 -1.315 -5.553 -0.088 1.00 0.00 C ATOM 449 CD2 PHE A 38 -3.386 -5.371 1.080 1.00 0.00 C ATOM 450 CE1 PHE A 38 -1.777 -6.683 -0.736 1.00 0.00 C ATOM 451 CE2 PHE A 38 -3.853 -6.500 0.435 1.00 0.00 C ATOM 452 CZ PHE A 38 -3.048 -7.155 -0.473 1.00 0.00 C ATOM 0 H PHE A 38 0.925 -3.174 1.768 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.045 -2.902 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.011 -3.964 2.387 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.468 -3.107 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.321 -5.186 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.020 -4.861 1.790 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.146 -7.196 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.847 -6.869 0.642 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.412 -8.037 -0.979 1.00 0.00 H new ATOM 462 N ILE A 39 -2.335 -0.875 0.729 1.00 0.00 N ATOM 463 CA ILE A 39 -2.775 0.483 1.016 1.00 0.00 C ATOM 464 C ILE A 39 -3.924 0.473 2.022 1.00 0.00 C ATOM 465 O ILE A 39 -4.969 -0.129 1.781 1.00 0.00 O ATOM 466 CB ILE A 39 -3.214 1.216 -0.272 1.00 0.00 C ATOM 467 CG1 ILE A 39 -1.989 1.582 -1.114 1.00 0.00 C ATOM 468 CG2 ILE A 39 -4.030 2.463 0.052 1.00 0.00 C ATOM 469 CD1 ILE A 39 -1.152 2.693 -0.515 1.00 0.00 C ATOM 0 H ILE A 39 -3.052 -1.471 0.315 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.928 1.019 1.445 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.850 0.542 -0.846 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.366 0.696 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.319 1.883 -2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.324 2.956 -0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.922 2.179 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.428 3.146 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.302 2.899 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.759 3.593 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.792 2.388 0.468 1.00 0.00 H new ATOM 481 N SER A 40 -3.718 1.149 3.145 1.00 0.00 N ATOM 482 CA SER A 40 -4.730 1.229 4.190 1.00 0.00 C ATOM 483 C SER A 40 -5.617 2.450 3.985 1.00 0.00 C ATOM 484 O SER A 40 -5.562 3.104 2.943 1.00 0.00 O ATOM 485 CB SER A 40 -4.070 1.282 5.569 1.00 0.00 C ATOM 486 OG SER A 40 -4.623 0.307 6.437 1.00 0.00 O ATOM 0 H SER A 40 -2.856 1.652 3.356 1.00 0.00 H new ATOM 0 HA SER A 40 -5.352 0.335 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.997 1.118 5.469 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.201 2.274 6.001 1.00 0.00 H new ATOM 0 HG SER A 40 -4.871 0.728 7.286 1.00 0.00 H new ATOM 492 N HIS A 41 -6.436 2.754 4.985 1.00 0.00 N ATOM 493 CA HIS A 41 -7.338 3.899 4.916 1.00 0.00 C ATOM 494 C HIS A 41 -6.571 5.177 4.597 1.00 0.00 C ATOM 495 O HIS A 41 -5.452 5.376 5.074 1.00 0.00 O ATOM 496 CB HIS A 41 -8.091 4.058 6.239 1.00 0.00 C ATOM 497 CG HIS A 41 -9.413 4.744 6.095 1.00 0.00 C ATOM 498 ND1 HIS A 41 -10.224 4.593 4.989 1.00 0.00 N ATOM 499 CD2 HIS A 41 -10.068 5.590 6.924 1.00 0.00 C ATOM 500 CE1 HIS A 41 -11.318 5.316 5.145 1.00 0.00 C ATOM 501 NE2 HIS A 41 -11.248 5.930 6.311 1.00 0.00 N ATOM 0 H HIS A 41 -6.495 2.223 5.854 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.055 3.719 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -8.248 3.073 6.679 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -7.471 4.623 6.935 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.726 5.934 7.889 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -12.131 5.392 4.439 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.956 6.556 6.695 1.00 0.00 H new ATOM 510 N VAL A 42 -7.173 6.038 3.785 1.00 0.00 N ATOM 511 CA VAL A 42 -6.537 7.292 3.401 1.00 0.00 C ATOM 512 C VAL A 42 -7.378 8.491 3.841 1.00 0.00 C ATOM 513 O VAL A 42 -8.596 8.387 3.985 1.00 0.00 O ATOM 514 CB VAL A 42 -6.279 7.354 1.877 1.00 0.00 C ATOM 515 CG1 VAL A 42 -5.830 5.999 1.354 1.00 0.00 C ATOM 516 CG2 VAL A 42 -7.512 7.829 1.123 1.00 0.00 C ATOM 0 H VAL A 42 -8.098 5.891 3.381 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.574 7.335 3.911 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.482 8.078 1.707 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.654 6.064 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.909 5.702 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.605 5.258 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.296 7.861 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.338 7.141 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.787 8.826 1.467 1.00 0.00 H new ATOM 526 N LYS A 43 -6.719 9.624 4.056 1.00 0.00 N ATOM 527 CA LYS A 43 -7.403 10.838 4.485 1.00 0.00 C ATOM 528 C LYS A 43 -7.732 11.736 3.294 1.00 0.00 C ATOM 529 O LYS A 43 -6.986 11.780 2.316 1.00 0.00 O ATOM 530 CB LYS A 43 -6.545 11.606 5.493 1.00 0.00 C ATOM 531 CG LYS A 43 -5.846 10.714 6.508 1.00 0.00 C ATOM 532 CD LYS A 43 -4.334 10.775 6.360 1.00 0.00 C ATOM 533 CE LYS A 43 -3.637 9.894 7.386 1.00 0.00 C ATOM 534 NZ LYS A 43 -3.913 10.340 8.780 1.00 0.00 N ATOM 0 H LYS A 43 -5.711 9.727 3.940 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.338 10.543 4.962 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.795 12.183 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.175 12.320 6.023 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.126 11.020 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.183 9.685 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.053 10.458 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.997 11.805 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.967 8.863 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.562 9.908 7.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.247 9.877 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.799 11.372 8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.886 10.083 9.041 1.00 0.00 H new ATOM 548 N PRO A 44 -8.857 12.467 3.363 1.00 0.00 N ATOM 549 CA PRO A 44 -9.283 13.368 2.288 1.00 0.00 C ATOM 550 C PRO A 44 -8.465 14.655 2.252 1.00 0.00 C ATOM 551 O PRO A 44 -7.654 14.912 3.143 1.00 0.00 O ATOM 552 CB PRO A 44 -10.738 13.670 2.644 1.00 0.00 C ATOM 553 CG PRO A 44 -10.792 13.549 4.127 1.00 0.00 C ATOM 554 CD PRO A 44 -9.805 12.474 4.496 1.00 0.00 C ATOM 0 HA PRO A 44 -9.152 12.922 1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -11.028 14.668 2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.418 12.967 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -10.535 14.494 4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.796 13.287 4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.303 12.697 5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.293 11.507 4.616 1.00 0.00 H new ATOM 562 N GLY A 45 -8.685 15.461 1.217 1.00 0.00 N ATOM 563 CA GLY A 45 -7.960 16.714 1.084 1.00 0.00 C ATOM 564 C GLY A 45 -6.456 16.524 1.122 1.00 0.00 C ATOM 565 O GLY A 45 -5.714 17.446 1.464 1.00 0.00 O ATOM 0 H GLY A 45 -9.351 15.270 0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.238 17.193 0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.258 17.389 1.887 1.00 0.00 H new ATOM 569 N SER A 46 -6.002 15.325 0.769 1.00 0.00 N ATOM 570 CA SER A 46 -4.578 15.015 0.764 1.00 0.00 C ATOM 571 C SER A 46 -4.112 14.634 -0.637 1.00 0.00 C ATOM 572 O SER A 46 -4.861 14.762 -1.606 1.00 0.00 O ATOM 573 CB SER A 46 -4.281 13.877 1.740 1.00 0.00 C ATOM 574 OG SER A 46 -4.790 12.645 1.259 1.00 0.00 O ATOM 0 H SER A 46 -6.602 14.551 0.482 1.00 0.00 H new ATOM 0 HA SER A 46 -4.034 15.906 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.205 13.795 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.723 14.102 2.711 1.00 0.00 H new ATOM 0 HG SER A 46 -5.554 12.370 1.808 1.00 0.00 H new ATOM 580 N LEU A 47 -2.873 14.167 -0.738 1.00 0.00 N ATOM 581 CA LEU A 47 -2.312 13.768 -2.022 1.00 0.00 C ATOM 582 C LEU A 47 -2.830 12.395 -2.438 1.00 0.00 C ATOM 583 O LEU A 47 -3.202 12.186 -3.592 1.00 0.00 O ATOM 584 CB LEU A 47 -0.787 13.758 -1.954 1.00 0.00 C ATOM 585 CG LEU A 47 -0.143 15.131 -1.759 1.00 0.00 C ATOM 586 CD1 LEU A 47 1.056 15.032 -0.830 1.00 0.00 C ATOM 587 CD2 LEU A 47 0.265 15.723 -3.099 1.00 0.00 C ATOM 0 H LEU A 47 -2.239 14.056 0.053 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.627 14.494 -2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.478 13.108 -1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.400 13.318 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.877 15.793 -1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.501 16.019 -0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.735 14.652 0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.794 14.354 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.722 16.700 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.982 15.062 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.616 15.832 -3.732 1.00 0.00 H new ATOM 599 N SER A 48 -2.857 11.462 -1.488 1.00 0.00 N ATOM 600 CA SER A 48 -3.337 10.110 -1.760 1.00 0.00 C ATOM 601 C SER A 48 -4.725 10.152 -2.393 1.00 0.00 C ATOM 602 O SER A 48 -4.989 9.469 -3.384 1.00 0.00 O ATOM 603 CB SER A 48 -3.373 9.289 -0.468 1.00 0.00 C ATOM 604 OG SER A 48 -4.369 8.282 -0.527 1.00 0.00 O ATOM 0 H SER A 48 -2.553 11.617 -0.527 1.00 0.00 H new ATOM 0 HA SER A 48 -2.649 9.635 -2.460 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.399 8.831 -0.298 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.568 9.947 0.379 1.00 0.00 H new ATOM 0 HG SER A 48 -5.241 8.671 -0.304 1.00 0.00 H new ATOM 610 N ALA A 49 -5.604 10.963 -1.818 1.00 0.00 N ATOM 611 CA ALA A 49 -6.961 11.103 -2.329 1.00 0.00 C ATOM 612 C ALA A 49 -6.956 11.826 -3.668 1.00 0.00 C ATOM 613 O ALA A 49 -7.744 11.516 -4.561 1.00 0.00 O ATOM 614 CB ALA A 49 -7.822 11.859 -1.332 1.00 0.00 C ATOM 0 H ALA A 49 -5.401 11.534 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.379 10.107 -2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.834 11.957 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.851 11.313 -0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.400 12.850 -1.165 1.00 0.00 H new ATOM 620 N GLU A 50 -6.055 12.792 -3.794 1.00 0.00 N ATOM 621 CA GLU A 50 -5.930 13.573 -5.016 1.00 0.00 C ATOM 622 C GLU A 50 -5.599 12.675 -6.205 1.00 0.00 C ATOM 623 O GLU A 50 -6.096 12.885 -7.312 1.00 0.00 O ATOM 624 CB GLU A 50 -4.849 14.642 -4.845 1.00 0.00 C ATOM 625 CG GLU A 50 -5.397 16.004 -4.459 1.00 0.00 C ATOM 626 CD GLU A 50 -5.955 16.766 -5.644 1.00 0.00 C ATOM 627 OE1 GLU A 50 -5.214 16.953 -6.633 1.00 0.00 O ATOM 628 OE2 GLU A 50 -7.134 17.177 -5.586 1.00 0.00 O ATOM 0 H GLU A 50 -5.397 13.054 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.886 14.059 -5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.143 14.314 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.291 14.735 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.180 15.878 -3.712 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.605 16.592 -3.994 1.00 0.00 H new ATOM 635 N VAL A 51 -4.755 11.674 -5.970 1.00 0.00 N ATOM 636 CA VAL A 51 -4.360 10.746 -7.023 1.00 0.00 C ATOM 637 C VAL A 51 -5.427 9.679 -7.248 1.00 0.00 C ATOM 638 O VAL A 51 -5.581 9.167 -8.358 1.00 0.00 O ATOM 639 CB VAL A 51 -3.024 10.052 -6.693 1.00 0.00 C ATOM 640 CG1 VAL A 51 -1.879 11.053 -6.710 1.00 0.00 C ATOM 641 CG2 VAL A 51 -3.104 9.346 -5.349 1.00 0.00 C ATOM 0 H VAL A 51 -4.333 11.486 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.241 11.337 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.830 9.302 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.945 10.542 -6.474 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.806 11.505 -7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.064 11.830 -5.969 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.151 8.862 -5.135 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.325 10.074 -4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.893 8.595 -5.379 1.00 0.00 H new ATOM 651 N GLY A 52 -6.160 9.348 -6.191 1.00 0.00 N ATOM 652 CA GLY A 52 -7.201 8.343 -6.295 1.00 0.00 C ATOM 653 C GLY A 52 -6.841 7.062 -5.569 1.00 0.00 C ATOM 654 O GLY A 52 -7.170 5.967 -6.024 1.00 0.00 O ATOM 0 H GLY A 52 -6.052 9.758 -5.263 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.129 8.741 -5.885 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.386 8.122 -7.346 1.00 0.00 H new ATOM 658 N LEU A 53 -6.159 7.201 -4.436 1.00 0.00 N ATOM 659 CA LEU A 53 -5.749 6.049 -3.642 1.00 0.00 C ATOM 660 C LEU A 53 -6.865 5.608 -2.701 1.00 0.00 C ATOM 661 O LEU A 53 -7.787 6.370 -2.414 1.00 0.00 O ATOM 662 CB LEU A 53 -4.492 6.384 -2.836 1.00 0.00 C ATOM 663 CG LEU A 53 -3.170 6.114 -3.555 1.00 0.00 C ATOM 664 CD1 LEU A 53 -2.009 6.714 -2.774 1.00 0.00 C ATOM 665 CD2 LEU A 53 -2.966 4.620 -3.751 1.00 0.00 C ATOM 0 H LEU A 53 -5.879 8.101 -4.047 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.530 5.228 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.528 7.437 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.509 5.809 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.207 6.587 -4.536 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.075 6.513 -3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.150 7.791 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.970 6.268 -1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.020 4.446 -4.264 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.948 4.125 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.783 4.217 -4.349 1.00 0.00 H new ATOM 677 N GLU A 54 -6.771 4.371 -2.224 1.00 0.00 N ATOM 678 CA GLU A 54 -7.769 3.820 -1.311 1.00 0.00 C ATOM 679 C GLU A 54 -7.440 2.372 -0.964 1.00 0.00 C ATOM 680 O GLU A 54 -6.606 1.743 -1.613 1.00 0.00 O ATOM 681 CB GLU A 54 -9.167 3.907 -1.931 1.00 0.00 C ATOM 682 CG GLU A 54 -10.167 4.661 -1.070 1.00 0.00 C ATOM 683 CD GLU A 54 -11.525 3.988 -1.029 1.00 0.00 C ATOM 684 OE1 GLU A 54 -11.596 2.824 -0.581 1.00 0.00 O ATOM 685 OE2 GLU A 54 -12.516 4.624 -1.444 1.00 0.00 O ATOM 0 H GLU A 54 -6.013 3.729 -2.455 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.753 4.409 -0.394 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.095 4.396 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.540 2.898 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.777 4.745 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.280 5.675 -1.454 1.00 0.00 H new ATOM 692 N ILE A 55 -8.099 1.848 0.065 1.00 0.00 N ATOM 693 CA ILE A 55 -7.872 0.474 0.497 1.00 0.00 C ATOM 694 C ILE A 55 -8.140 -0.511 -0.638 1.00 0.00 C ATOM 695 O ILE A 55 -9.036 -0.300 -1.457 1.00 0.00 O ATOM 696 CB ILE A 55 -8.756 0.104 1.703 1.00 0.00 C ATOM 697 CG1 ILE A 55 -8.736 1.226 2.747 1.00 0.00 C ATOM 698 CG2 ILE A 55 -8.292 -1.210 2.316 1.00 0.00 C ATOM 699 CD1 ILE A 55 -10.101 1.819 3.022 1.00 0.00 C ATOM 0 H ILE A 55 -8.794 2.354 0.614 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.825 0.408 0.794 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.782 -0.022 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.323 0.838 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.067 2.016 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -8.926 -1.458 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.358 -2.003 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.259 -1.111 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -10.012 2.607 3.770 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.508 2.237 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.768 1.041 3.393 1.00 0.00 H new ATOM 711 N GLY A 56 -7.358 -1.584 -0.682 1.00 0.00 N ATOM 712 CA GLY A 56 -7.527 -2.581 -1.722 1.00 0.00 C ATOM 713 C GLY A 56 -6.433 -2.520 -2.774 1.00 0.00 C ATOM 714 O GLY A 56 -6.292 -3.437 -3.585 1.00 0.00 O ATOM 0 H GLY A 56 -6.611 -1.781 -0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.537 -3.573 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.495 -2.439 -2.202 1.00 0.00 H new ATOM 718 N ASP A 57 -5.662 -1.438 -2.765 1.00 0.00 N ATOM 719 CA ASP A 57 -4.580 -1.257 -3.725 1.00 0.00 C ATOM 720 C ASP A 57 -3.295 -1.917 -3.234 1.00 0.00 C ATOM 721 O ASP A 57 -3.154 -2.220 -2.049 1.00 0.00 O ATOM 722 CB ASP A 57 -4.342 0.235 -3.968 1.00 0.00 C ATOM 723 CG ASP A 57 -5.464 0.878 -4.759 1.00 0.00 C ATOM 724 OD1 ASP A 57 -5.840 0.326 -5.813 1.00 0.00 O ATOM 725 OD2 ASP A 57 -5.967 1.935 -4.323 1.00 0.00 O ATOM 0 H ASP A 57 -5.767 -0.671 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.871 -1.734 -4.661 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.238 0.744 -3.010 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.402 0.368 -4.503 1.00 0.00 H new ATOM 730 N GLN A 58 -2.361 -2.138 -4.154 1.00 0.00 N ATOM 731 CA GLN A 58 -1.086 -2.764 -3.818 1.00 0.00 C ATOM 732 C GLN A 58 0.052 -2.141 -4.622 1.00 0.00 C ATOM 733 O GLN A 58 0.096 -2.261 -5.846 1.00 0.00 O ATOM 734 CB GLN A 58 -1.149 -4.269 -4.083 1.00 0.00 C ATOM 735 CG GLN A 58 0.077 -5.026 -3.599 1.00 0.00 C ATOM 736 CD GLN A 58 1.062 -5.315 -4.715 1.00 0.00 C ATOM 737 OE1 GLN A 58 1.812 -4.435 -5.140 1.00 0.00 O ATOM 738 NE2 GLN A 58 1.066 -6.552 -5.197 1.00 0.00 N ATOM 0 H GLN A 58 -2.463 -1.893 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.893 -2.597 -2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.034 -4.678 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.269 -4.436 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.574 -4.446 -2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.237 -5.965 -3.144 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.428 -7.250 -4.815 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.708 -6.804 -5.949 1.00 0.00 H new ATOM 747 N ILE A 59 0.972 -1.478 -3.927 1.00 0.00 N ATOM 748 CA ILE A 59 2.106 -0.837 -4.583 1.00 0.00 C ATOM 749 C ILE A 59 3.066 -1.879 -5.149 1.00 0.00 C ATOM 750 O ILE A 59 3.645 -2.673 -4.407 1.00 0.00 O ATOM 751 CB ILE A 59 2.874 0.079 -3.611 1.00 0.00 C ATOM 752 CG1 ILE A 59 1.909 1.020 -2.887 1.00 0.00 C ATOM 753 CG2 ILE A 59 3.935 0.875 -4.357 1.00 0.00 C ATOM 754 CD1 ILE A 59 2.590 1.944 -1.902 1.00 0.00 C ATOM 0 H ILE A 59 0.954 -1.371 -2.913 1.00 0.00 H new ATOM 0 HA ILE A 59 1.705 -0.232 -5.396 1.00 0.00 H new ATOM 0 HB ILE A 59 3.370 -0.545 -2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.376 1.619 -3.625 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.163 0.426 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.468 1.517 -3.656 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.639 0.190 -4.829 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.459 1.489 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.845 2.582 -1.427 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.100 1.353 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.316 2.564 -2.427 1.00 0.00 H new ATOM 766 N VAL A 60 3.223 -1.874 -6.469 1.00 0.00 N ATOM 767 CA VAL A 60 4.104 -2.823 -7.138 1.00 0.00 C ATOM 768 C VAL A 60 5.386 -2.153 -7.636 1.00 0.00 C ATOM 769 O VAL A 60 6.189 -2.779 -8.328 1.00 0.00 O ATOM 770 CB VAL A 60 3.393 -3.501 -8.326 1.00 0.00 C ATOM 771 CG1 VAL A 60 2.150 -4.237 -7.853 1.00 0.00 C ATOM 772 CG2 VAL A 60 3.037 -2.478 -9.394 1.00 0.00 C ATOM 0 H VAL A 60 2.751 -1.223 -7.096 1.00 0.00 H new ATOM 0 HA VAL A 60 4.369 -3.578 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 60 4.076 -4.228 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.661 -4.710 -8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.433 -5.000 -7.128 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.464 -3.530 -7.387 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.536 -2.977 -10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.373 -1.725 -8.970 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.946 -1.998 -9.755 1.00 0.00 H new ATOM 782 N GLU A 61 5.578 -0.883 -7.285 1.00 0.00 N ATOM 783 CA GLU A 61 6.766 -0.148 -7.704 1.00 0.00 C ATOM 784 C GLU A 61 6.779 1.259 -7.114 1.00 0.00 C ATOM 785 O GLU A 61 5.728 1.853 -6.876 1.00 0.00 O ATOM 786 CB GLU A 61 6.832 -0.073 -9.230 1.00 0.00 C ATOM 787 CG GLU A 61 8.246 0.062 -9.773 1.00 0.00 C ATOM 788 CD GLU A 61 8.402 -0.547 -11.153 1.00 0.00 C ATOM 789 OE1 GLU A 61 7.525 -0.310 -12.009 1.00 0.00 O ATOM 790 OE2 GLU A 61 9.402 -1.262 -11.375 1.00 0.00 O ATOM 0 H GLU A 61 4.927 -0.344 -6.713 1.00 0.00 H new ATOM 0 HA GLU A 61 7.640 -0.683 -7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.375 -0.969 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.239 0.776 -9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.517 1.117 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.942 -0.420 -9.087 1.00 0.00 H new ATOM 797 N VAL A 62 7.979 1.784 -6.881 1.00 0.00 N ATOM 798 CA VAL A 62 8.134 3.122 -6.322 1.00 0.00 C ATOM 799 C VAL A 62 9.471 3.736 -6.731 1.00 0.00 C ATOM 800 O VAL A 62 10.531 3.269 -6.317 1.00 0.00 O ATOM 801 CB VAL A 62 8.038 3.102 -4.783 1.00 0.00 C ATOM 802 CG1 VAL A 62 8.157 4.512 -4.214 1.00 0.00 C ATOM 803 CG2 VAL A 62 6.737 2.449 -4.339 1.00 0.00 C ATOM 0 H VAL A 62 8.858 1.302 -7.071 1.00 0.00 H new ATOM 0 HA VAL A 62 7.321 3.729 -6.721 1.00 0.00 H new ATOM 0 HB VAL A 62 8.868 2.511 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.086 4.473 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.118 4.940 -4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.352 5.132 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.686 2.443 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.893 3.011 -4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.699 1.425 -4.709 1.00 0.00 H new ATOM 813 N ASN A 63 9.409 4.785 -7.546 1.00 0.00 N ATOM 814 CA ASN A 63 10.612 5.466 -8.010 1.00 0.00 C ATOM 815 C ASN A 63 11.552 4.497 -8.721 1.00 0.00 C ATOM 816 O ASN A 63 12.770 4.678 -8.710 1.00 0.00 O ATOM 817 CB ASN A 63 11.336 6.126 -6.834 1.00 0.00 C ATOM 818 CG ASN A 63 12.090 7.374 -7.248 1.00 0.00 C ATOM 819 OD1 ASN A 63 12.636 7.449 -8.348 1.00 0.00 O ATOM 820 ND2 ASN A 63 12.126 8.364 -6.363 1.00 0.00 N ATOM 0 H ASN A 63 8.538 5.182 -7.898 1.00 0.00 H new ATOM 0 HA ASN A 63 10.309 6.235 -8.721 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.611 6.382 -6.062 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.033 5.413 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.620 9.228 -6.585 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.659 8.260 -5.462 1.00 0.00 H new ATOM 827 N GLY A 64 10.980 3.468 -9.338 1.00 0.00 N ATOM 828 CA GLY A 64 11.782 2.487 -10.045 1.00 0.00 C ATOM 829 C GLY A 64 12.110 1.279 -9.188 1.00 0.00 C ATOM 830 O GLY A 64 12.341 0.187 -9.707 1.00 0.00 O ATOM 0 H GLY A 64 9.975 3.296 -9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.248 2.161 -10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.709 2.953 -10.380 1.00 0.00 H new ATOM 834 N VAL A 65 12.132 1.475 -7.873 1.00 0.00 N ATOM 835 CA VAL A 65 12.434 0.393 -6.945 1.00 0.00 C ATOM 836 C VAL A 65 11.379 -0.705 -7.021 1.00 0.00 C ATOM 837 O VAL A 65 10.187 -0.448 -6.859 1.00 0.00 O ATOM 838 CB VAL A 65 12.523 0.907 -5.495 1.00 0.00 C ATOM 839 CG1 VAL A 65 13.035 -0.185 -4.569 1.00 0.00 C ATOM 840 CG2 VAL A 65 13.411 2.140 -5.420 1.00 0.00 C ATOM 0 H VAL A 65 11.944 2.373 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 65 13.401 -0.016 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 65 11.522 1.187 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 65 13.090 0.198 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.355 -1.037 -4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.027 -0.501 -4.892 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.462 2.489 -4.389 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.413 1.889 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.995 2.927 -6.049 1.00 0.00 H new ATOM 850 N ASP A 66 11.828 -1.932 -7.267 1.00 0.00 N ATOM 851 CA ASP A 66 10.922 -3.071 -7.365 1.00 0.00 C ATOM 852 C ASP A 66 10.246 -3.343 -6.026 1.00 0.00 C ATOM 853 O ASP A 66 10.903 -3.704 -5.049 1.00 0.00 O ATOM 854 CB ASP A 66 11.683 -4.316 -7.827 1.00 0.00 C ATOM 855 CG ASP A 66 12.065 -4.250 -9.293 1.00 0.00 C ATOM 856 OD1 ASP A 66 11.154 -4.163 -10.142 1.00 0.00 O ATOM 857 OD2 ASP A 66 13.278 -4.284 -9.591 1.00 0.00 O ATOM 0 H ASP A 66 12.812 -2.163 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 66 10.153 -2.830 -8.099 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.584 -4.432 -7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.068 -5.199 -7.654 1.00 0.00 H new ATOM 862 N PHE A 67 8.929 -3.167 -5.986 1.00 0.00 N ATOM 863 CA PHE A 67 8.165 -3.395 -4.764 1.00 0.00 C ATOM 864 C PHE A 67 7.565 -4.799 -4.745 1.00 0.00 C ATOM 865 O PHE A 67 6.590 -5.055 -4.038 1.00 0.00 O ATOM 866 CB PHE A 67 7.056 -2.348 -4.632 1.00 0.00 C ATOM 867 CG PHE A 67 7.421 -1.194 -3.744 1.00 0.00 C ATOM 868 CD1 PHE A 67 8.676 -0.610 -3.823 1.00 0.00 C ATOM 869 CD2 PHE A 67 6.508 -0.690 -2.830 1.00 0.00 C ATOM 870 CE1 PHE A 67 9.014 0.452 -3.007 1.00 0.00 C ATOM 871 CE2 PHE A 67 6.842 0.372 -2.011 1.00 0.00 C ATOM 872 CZ PHE A 67 8.097 0.944 -2.100 1.00 0.00 C ATOM 0 H PHE A 67 8.369 -2.868 -6.784 1.00 0.00 H new ATOM 0 HA PHE A 67 8.845 -3.304 -3.917 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.807 -1.968 -5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.160 -2.828 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.398 -0.990 -4.531 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.525 -1.132 -2.757 1.00 0.00 H new ATOM 0 HE1 PHE A 67 9.995 0.897 -3.079 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.123 0.755 -1.302 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.360 1.774 -1.461 1.00 0.00 H new ATOM 882 N SER A 68 8.155 -5.706 -5.517 1.00 0.00 N ATOM 883 CA SER A 68 7.677 -7.082 -5.580 1.00 0.00 C ATOM 884 C SER A 68 8.126 -7.864 -4.350 1.00 0.00 C ATOM 885 O SER A 68 7.310 -8.463 -3.650 1.00 0.00 O ATOM 886 CB SER A 68 8.189 -7.766 -6.850 1.00 0.00 C ATOM 887 OG SER A 68 7.235 -7.680 -7.895 1.00 0.00 O ATOM 0 H SER A 68 8.964 -5.513 -6.107 1.00 0.00 H new ATOM 0 HA SER A 68 6.587 -7.064 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.123 -7.301 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.410 -8.813 -6.640 1.00 0.00 H new ATOM 0 HG SER A 68 7.586 -8.123 -8.696 1.00 0.00 H new ATOM 893 N ASN A 69 9.429 -7.848 -4.091 1.00 0.00 N ATOM 894 CA ASN A 69 9.989 -8.549 -2.944 1.00 0.00 C ATOM 895 C ASN A 69 10.520 -7.558 -1.913 1.00 0.00 C ATOM 896 O ASN A 69 11.450 -7.861 -1.166 1.00 0.00 O ATOM 897 CB ASN A 69 11.112 -9.488 -3.391 1.00 0.00 C ATOM 898 CG ASN A 69 11.382 -10.587 -2.383 1.00 0.00 C ATOM 899 OD1 ASN A 69 10.780 -11.660 -2.441 1.00 0.00 O ATOM 900 ND2 ASN A 69 12.292 -10.325 -1.453 1.00 0.00 N ATOM 0 H ASN A 69 10.117 -7.356 -4.661 1.00 0.00 H new ATOM 0 HA ASN A 69 9.195 -9.138 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 69 10.848 -9.935 -4.350 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.023 -8.911 -3.548 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.517 -11.027 -0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.766 -9.422 -1.443 1.00 0.00 H new ATOM 907 N LEU A 70 9.920 -6.372 -1.880 1.00 0.00 N ATOM 908 CA LEU A 70 10.328 -5.332 -0.943 1.00 0.00 C ATOM 909 C LEU A 70 9.675 -5.541 0.420 1.00 0.00 C ATOM 910 O LEU A 70 8.552 -6.038 0.511 1.00 0.00 O ATOM 911 CB LEU A 70 9.962 -3.953 -1.491 1.00 0.00 C ATOM 912 CG LEU A 70 10.484 -2.769 -0.670 1.00 0.00 C ATOM 913 CD1 LEU A 70 11.642 -2.089 -1.388 1.00 0.00 C ATOM 914 CD2 LEU A 70 9.367 -1.773 -0.397 1.00 0.00 C ATOM 0 H LEU A 70 9.148 -6.107 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 70 11.409 -5.391 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.347 -3.869 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.876 -3.881 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 70 10.847 -3.148 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.999 -1.251 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.452 -2.804 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.305 -1.725 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.757 -0.940 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.973 -1.400 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.569 -2.264 0.160 1.00 0.00 H new ATOM 926 N ASP A 71 10.384 -5.158 1.476 1.00 0.00 N ATOM 927 CA ASP A 71 9.872 -5.303 2.833 1.00 0.00 C ATOM 928 C ASP A 71 8.969 -4.129 3.202 1.00 0.00 C ATOM 929 O ASP A 71 8.991 -3.087 2.547 1.00 0.00 O ATOM 930 CB ASP A 71 11.031 -5.406 3.829 1.00 0.00 C ATOM 931 CG ASP A 71 10.843 -6.542 4.817 1.00 0.00 C ATOM 932 OD1 ASP A 71 10.421 -7.637 4.388 1.00 0.00 O ATOM 933 OD2 ASP A 71 11.118 -6.336 6.017 1.00 0.00 O ATOM 0 H ASP A 71 11.315 -4.745 1.418 1.00 0.00 H new ATOM 0 HA ASP A 71 9.282 -6.218 2.877 1.00 0.00 H new ATOM 0 HB2 ASP A 71 11.963 -5.552 3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.124 -4.466 4.373 1.00 0.00 H new ATOM 938 N HIS A 72 8.176 -4.307 4.253 1.00 0.00 N ATOM 939 CA HIS A 72 7.264 -3.264 4.708 1.00 0.00 C ATOM 940 C HIS A 72 8.027 -1.996 5.082 1.00 0.00 C ATOM 941 O HIS A 72 7.687 -0.901 4.634 1.00 0.00 O ATOM 942 CB HIS A 72 6.452 -3.756 5.908 1.00 0.00 C ATOM 943 CG HIS A 72 5.306 -2.863 6.264 1.00 0.00 C ATOM 944 ND1 HIS A 72 4.381 -3.178 7.238 1.00 0.00 N ATOM 945 CD2 HIS A 72 4.935 -1.657 5.771 1.00 0.00 C ATOM 946 CE1 HIS A 72 3.490 -2.205 7.327 1.00 0.00 C ATOM 947 NE2 HIS A 72 3.804 -1.271 6.449 1.00 0.00 N ATOM 0 H HIS A 72 8.146 -5.164 4.806 1.00 0.00 H new ATOM 0 HA HIS A 72 6.585 -3.029 3.889 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.070 -4.754 5.693 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.113 -3.846 6.770 1.00 0.00 H new ATOM 0 HD1 HIS A 72 4.384 -4.028 7.801 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.435 -1.102 4.991 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.648 -2.179 8.003 1.00 0.00 H new ATOM 956 N LYS A 73 9.058 -2.153 5.905 1.00 0.00 N ATOM 957 CA LYS A 73 9.869 -1.022 6.339 1.00 0.00 C ATOM 958 C LYS A 73 10.505 -0.319 5.145 1.00 0.00 C ATOM 959 O LYS A 73 10.621 0.907 5.121 1.00 0.00 O ATOM 960 CB LYS A 73 10.954 -1.485 7.311 1.00 0.00 C ATOM 961 CG LYS A 73 10.492 -1.531 8.759 1.00 0.00 C ATOM 962 CD LYS A 73 11.354 -2.466 9.591 1.00 0.00 C ATOM 963 CE LYS A 73 11.281 -2.121 11.070 1.00 0.00 C ATOM 964 NZ LYS A 73 11.969 -0.836 11.375 1.00 0.00 N ATOM 0 H LYS A 73 9.352 -3.053 6.285 1.00 0.00 H new ATOM 0 HA LYS A 73 9.215 -0.314 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.296 -2.477 7.015 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.811 -0.816 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.526 -0.528 9.185 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.453 -1.859 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 73 11.028 -3.495 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.389 -2.407 9.253 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.237 -2.055 11.376 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.734 -2.923 11.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.212 -0.804 12.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.837 -0.764 10.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.338 -0.042 11.145 1.00 0.00 H new ATOM 978 N GLU A 74 10.916 -1.103 4.153 1.00 0.00 N ATOM 979 CA GLU A 74 11.539 -0.555 2.954 1.00 0.00 C ATOM 980 C GLU A 74 10.574 0.369 2.218 1.00 0.00 C ATOM 981 O GLU A 74 10.955 1.446 1.763 1.00 0.00 O ATOM 982 CB GLU A 74 11.992 -1.685 2.026 1.00 0.00 C ATOM 983 CG GLU A 74 13.470 -2.025 2.157 1.00 0.00 C ATOM 984 CD GLU A 74 14.238 -1.793 0.870 1.00 0.00 C ATOM 985 OE1 GLU A 74 14.230 -0.648 0.371 1.00 0.00 O ATOM 986 OE2 GLU A 74 14.849 -2.756 0.362 1.00 0.00 O ATOM 0 H GLU A 74 10.829 -2.119 4.156 1.00 0.00 H new ATOM 0 HA GLU A 74 12.411 0.025 3.258 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.402 -2.577 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.783 -1.403 0.994 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.909 -1.421 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.574 -3.068 2.455 1.00 0.00 H new ATOM 993 N ALA A 75 9.321 -0.061 2.109 1.00 0.00 N ATOM 994 CA ALA A 75 8.298 0.726 1.432 1.00 0.00 C ATOM 995 C ALA A 75 8.081 2.063 2.130 1.00 0.00 C ATOM 996 O ALA A 75 8.017 3.109 1.485 1.00 0.00 O ATOM 997 CB ALA A 75 6.993 -0.053 1.367 1.00 0.00 C ATOM 0 H ALA A 75 8.990 -0.951 2.481 1.00 0.00 H new ATOM 0 HA ALA A 75 8.642 0.927 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 75 6.237 0.546 0.859 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.150 -0.981 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.655 -0.282 2.378 1.00 0.00 H new ATOM 1003 N VAL A 76 7.969 2.021 3.453 1.00 0.00 N ATOM 1004 CA VAL A 76 7.759 3.232 4.238 1.00 0.00 C ATOM 1005 C VAL A 76 8.991 4.131 4.201 1.00 0.00 C ATOM 1006 O VAL A 76 8.877 5.346 4.042 1.00 0.00 O ATOM 1007 CB VAL A 76 7.419 2.898 5.704 1.00 0.00 C ATOM 1008 CG1 VAL A 76 7.088 4.163 6.481 1.00 0.00 C ATOM 1009 CG2 VAL A 76 6.267 1.907 5.770 1.00 0.00 C ATOM 0 H VAL A 76 8.020 1.164 4.003 1.00 0.00 H new ATOM 0 HA VAL A 76 6.917 3.759 3.790 1.00 0.00 H new ATOM 0 HB VAL A 76 8.294 2.438 6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.851 3.905 7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.945 4.836 6.463 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.230 4.656 6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.040 1.682 6.812 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.388 2.339 5.292 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.547 0.989 5.253 1.00 0.00 H new ATOM 1019 N ASN A 77 10.165 3.529 4.351 1.00 0.00 N ATOM 1020 CA ASN A 77 11.420 4.276 4.338 1.00 0.00 C ATOM 1021 C ASN A 77 11.559 5.101 3.062 1.00 0.00 C ATOM 1022 O ASN A 77 11.724 6.319 3.114 1.00 0.00 O ATOM 1023 CB ASN A 77 12.608 3.322 4.474 1.00 0.00 C ATOM 1024 CG ASN A 77 13.731 3.912 5.306 1.00 0.00 C ATOM 1025 OD1 ASN A 77 13.627 4.010 6.529 1.00 0.00 O ATOM 1026 ND2 ASN A 77 14.813 4.307 4.645 1.00 0.00 N ATOM 0 H ASN A 77 10.276 2.524 4.483 1.00 0.00 H new ATOM 0 HA ASN A 77 11.410 4.959 5.187 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.272 2.391 4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.986 3.073 3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 77 15.601 4.711 5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.856 4.207 3.631 1.00 0.00 H new ATOM 1033 N VAL A 78 11.495 4.429 1.916 1.00 0.00 N ATOM 1034 CA VAL A 78 11.616 5.103 0.629 1.00 0.00 C ATOM 1035 C VAL A 78 10.548 6.180 0.466 1.00 0.00 C ATOM 1036 O VAL A 78 10.840 7.297 0.037 1.00 0.00 O ATOM 1037 CB VAL A 78 11.511 4.104 -0.540 1.00 0.00 C ATOM 1038 CG1 VAL A 78 12.655 3.105 -0.487 1.00 0.00 C ATOM 1039 CG2 VAL A 78 10.169 3.390 -0.515 1.00 0.00 C ATOM 0 H VAL A 78 11.360 3.420 1.853 1.00 0.00 H new ATOM 0 HA VAL A 78 12.600 5.571 0.609 1.00 0.00 H new ATOM 0 HB VAL A 78 11.582 4.658 -1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.567 2.406 -1.319 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.605 3.635 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.615 2.556 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 78 10.114 2.689 -1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.063 2.847 0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 78 9.366 4.122 -0.603 1.00 0.00 H new ATOM 1049 N LEU A 79 9.310 5.841 0.814 1.00 0.00 N ATOM 1050 CA LEU A 79 8.201 6.782 0.710 1.00 0.00 C ATOM 1051 C LEU A 79 8.412 7.968 1.647 1.00 0.00 C ATOM 1052 O LEU A 79 7.956 9.079 1.371 1.00 0.00 O ATOM 1053 CB LEU A 79 6.879 6.084 1.036 1.00 0.00 C ATOM 1054 CG LEU A 79 6.105 5.554 -0.176 1.00 0.00 C ATOM 1055 CD1 LEU A 79 5.513 6.703 -0.977 1.00 0.00 C ATOM 1056 CD2 LEU A 79 7.005 4.699 -1.055 1.00 0.00 C ATOM 0 H LEU A 79 9.050 4.921 1.170 1.00 0.00 H new ATOM 0 HA LEU A 79 8.161 7.152 -0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.083 5.251 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.241 6.783 1.577 1.00 0.00 H new ATOM 0 HG LEU A 79 5.288 4.931 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.967 6.306 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.832 7.274 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.315 7.353 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.437 4.332 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.845 5.298 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.379 3.853 -0.478 1.00 0.00 H new ATOM 1068 N LYS A 80 9.105 7.725 2.756 1.00 0.00 N ATOM 1069 CA LYS A 80 9.377 8.772 3.736 1.00 0.00 C ATOM 1070 C LYS A 80 10.584 9.607 3.321 1.00 0.00 C ATOM 1071 O LYS A 80 10.634 10.812 3.570 1.00 0.00 O ATOM 1072 CB LYS A 80 9.623 8.152 5.115 1.00 0.00 C ATOM 1073 CG LYS A 80 8.445 8.289 6.066 1.00 0.00 C ATOM 1074 CD LYS A 80 7.196 7.626 5.509 1.00 0.00 C ATOM 1075 CE LYS A 80 6.099 7.538 6.557 1.00 0.00 C ATOM 1076 NZ LYS A 80 5.934 8.820 7.297 1.00 0.00 N ATOM 0 H LYS A 80 9.489 6.812 2.999 1.00 0.00 H new ATOM 0 HA LYS A 80 8.506 9.426 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.858 7.095 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.498 8.622 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.698 7.840 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.246 9.345 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.835 8.191 4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.442 6.626 5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.158 7.273 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.333 6.740 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.031 8.809 7.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.717 8.934 7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.939 9.613 6.624 1.00 0.00 H new ATOM 1090 N SER A 81 11.559 8.959 2.692 1.00 0.00 N ATOM 1091 CA SER A 81 12.770 9.637 2.248 1.00 0.00 C ATOM 1092 C SER A 81 12.476 10.616 1.116 1.00 0.00 C ATOM 1093 O SER A 81 12.564 11.830 1.294 1.00 0.00 O ATOM 1094 CB SER A 81 13.814 8.614 1.793 1.00 0.00 C ATOM 1095 OG SER A 81 15.113 8.984 2.218 1.00 0.00 O ATOM 0 H SER A 81 11.533 7.962 2.478 1.00 0.00 H new ATOM 0 HA SER A 81 13.163 10.202 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.563 7.632 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.794 8.529 0.706 1.00 0.00 H new ATOM 0 HG SER A 81 15.760 8.313 1.916 1.00 0.00 H new ATOM 1101 N SER A 82 12.136 10.080 -0.051 1.00 0.00 N ATOM 1102 CA SER A 82 11.838 10.905 -1.216 1.00 0.00 C ATOM 1103 C SER A 82 10.458 11.547 -1.102 1.00 0.00 C ATOM 1104 O SER A 82 9.471 10.872 -0.806 1.00 0.00 O ATOM 1105 CB SER A 82 11.919 10.068 -2.494 1.00 0.00 C ATOM 1106 OG SER A 82 12.794 8.967 -2.327 1.00 0.00 O ATOM 0 H SER A 82 12.060 9.076 -0.215 1.00 0.00 H new ATOM 0 HA SER A 82 12.582 11.701 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.925 9.709 -2.761 1.00 0.00 H new ATOM 0 HB3 SER A 82 12.266 10.690 -3.319 1.00 0.00 H new ATOM 0 HG SER A 82 12.827 8.447 -3.157 1.00 0.00 H new ATOM 1112 N ARG A 83 10.396 12.851 -1.344 1.00 0.00 N ATOM 1113 CA ARG A 83 9.139 13.586 -1.276 1.00 0.00 C ATOM 1114 C ARG A 83 8.357 13.430 -2.575 1.00 0.00 C ATOM 1115 O ARG A 83 7.175 13.084 -2.565 1.00 0.00 O ATOM 1116 CB ARG A 83 9.401 15.067 -0.998 1.00 0.00 C ATOM 1117 CG ARG A 83 9.469 15.406 0.482 1.00 0.00 C ATOM 1118 CD ARG A 83 10.899 15.372 0.997 1.00 0.00 C ATOM 1119 NE ARG A 83 10.955 15.204 2.447 1.00 0.00 N ATOM 1120 CZ ARG A 83 10.757 16.193 3.316 1.00 0.00 C ATOM 1121 NH1 ARG A 83 10.495 17.421 2.886 1.00 0.00 N ATOM 1122 NH2 ARG A 83 10.822 15.952 4.618 1.00 0.00 N ATOM 0 H ARG A 83 11.204 13.423 -1.590 1.00 0.00 H new ATOM 0 HA ARG A 83 8.546 13.174 -0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.339 15.357 -1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.613 15.660 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.045 16.396 0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.861 14.699 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.438 14.556 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.406 16.296 0.719 1.00 0.00 H new ATOM 0 HE ARG A 83 11.158 14.275 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 83 10.444 17.611 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.344 18.175 3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.024 15.010 4.953 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.671 16.709 5.285 1.00 0.00 H new ATOM 1136 N SER A 84 9.028 13.681 -3.696 1.00 0.00 N ATOM 1137 CA SER A 84 8.404 13.562 -5.008 1.00 0.00 C ATOM 1138 C SER A 84 8.830 12.266 -5.686 1.00 0.00 C ATOM 1139 O SER A 84 9.804 12.240 -6.440 1.00 0.00 O ATOM 1140 CB SER A 84 8.775 14.759 -5.885 1.00 0.00 C ATOM 1141 OG SER A 84 8.632 15.977 -5.175 1.00 0.00 O ATOM 0 H SER A 84 10.006 13.969 -3.720 1.00 0.00 H new ATOM 0 HA SER A 84 7.322 13.547 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 84 9.803 14.655 -6.231 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.141 14.775 -6.771 1.00 0.00 H new ATOM 0 HG SER A 84 8.877 16.726 -5.758 1.00 0.00 H new ATOM 1147 N LEU A 85 8.104 11.190 -5.405 1.00 0.00 N ATOM 1148 CA LEU A 85 8.414 9.885 -5.980 1.00 0.00 C ATOM 1149 C LEU A 85 7.234 9.336 -6.776 1.00 0.00 C ATOM 1150 O LEU A 85 6.077 9.509 -6.393 1.00 0.00 O ATOM 1151 CB LEU A 85 8.797 8.892 -4.875 1.00 0.00 C ATOM 1152 CG LEU A 85 8.317 9.256 -3.468 1.00 0.00 C ATOM 1153 CD1 LEU A 85 6.796 9.250 -3.402 1.00 0.00 C ATOM 1154 CD2 LEU A 85 8.902 8.298 -2.441 1.00 0.00 C ATOM 0 H LEU A 85 7.296 11.195 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 85 9.257 10.014 -6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.395 7.913 -5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.883 8.797 -4.856 1.00 0.00 H new ATOM 0 HG LEU A 85 8.665 10.263 -3.236 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.475 9.511 -2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.398 9.977 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.425 8.257 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.550 8.572 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.585 7.281 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.990 8.354 -2.469 1.00 0.00 H new ATOM 1166 N THR A 86 7.540 8.662 -7.881 1.00 0.00 N ATOM 1167 CA THR A 86 6.511 8.070 -8.726 1.00 0.00 C ATOM 1168 C THR A 86 6.254 6.628 -8.304 1.00 0.00 C ATOM 1169 O THR A 86 7.146 5.784 -8.377 1.00 0.00 O ATOM 1170 CB THR A 86 6.932 8.120 -10.195 1.00 0.00 C ATOM 1171 OG1 THR A 86 7.216 9.450 -10.590 1.00 0.00 O ATOM 1172 CG2 THR A 86 5.881 7.576 -11.138 1.00 0.00 C ATOM 0 H THR A 86 8.493 8.513 -8.211 1.00 0.00 H new ATOM 0 HA THR A 86 5.592 8.643 -8.608 1.00 0.00 H new ATOM 0 HB THR A 86 7.819 7.490 -10.263 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.529 9.759 -11.217 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.244 7.641 -12.164 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.675 6.534 -10.891 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.966 8.160 -11.039 1.00 0.00 H new ATOM 1180 N ILE A 87 5.037 6.355 -7.851 1.00 0.00 N ATOM 1181 CA ILE A 87 4.674 5.017 -7.402 1.00 0.00 C ATOM 1182 C ILE A 87 3.708 4.344 -8.371 1.00 0.00 C ATOM 1183 O ILE A 87 2.697 4.927 -8.764 1.00 0.00 O ATOM 1184 CB ILE A 87 4.043 5.049 -5.996 1.00 0.00 C ATOM 1185 CG1 ILE A 87 2.962 6.130 -5.920 1.00 0.00 C ATOM 1186 CG2 ILE A 87 5.117 5.283 -4.942 1.00 0.00 C ATOM 1187 CD1 ILE A 87 2.388 6.321 -4.532 1.00 0.00 C ATOM 0 H ILE A 87 4.285 7.041 -7.785 1.00 0.00 H new ATOM 0 HA ILE A 87 5.597 4.438 -7.365 1.00 0.00 H new ATOM 0 HB ILE A 87 3.574 4.085 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 87 3.382 7.076 -6.263 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.154 5.872 -6.605 1.00 0.00 H new ATOM 0 HG21 ILE A 87 4.658 5.303 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 87 5.851 4.478 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.612 6.235 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.629 7.103 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.938 5.388 -4.193 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.184 6.610 -3.846 1.00 0.00 H new ATOM 1199 N SER A 88 4.029 3.111 -8.751 1.00 0.00 N ATOM 1200 CA SER A 88 3.191 2.349 -9.670 1.00 0.00 C ATOM 1201 C SER A 88 2.415 1.268 -8.925 1.00 0.00 C ATOM 1202 O SER A 88 2.968 0.232 -8.556 1.00 0.00 O ATOM 1203 CB SER A 88 4.047 1.715 -10.769 1.00 0.00 C ATOM 1204 OG SER A 88 5.152 2.540 -11.095 1.00 0.00 O ATOM 0 H SER A 88 4.865 2.618 -8.436 1.00 0.00 H new ATOM 0 HA SER A 88 2.478 3.035 -10.127 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.403 0.739 -10.439 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.438 1.549 -11.658 1.00 0.00 H new ATOM 0 HG SER A 88 5.684 2.112 -11.798 1.00 0.00 H new ATOM 1210 N ILE A 89 1.130 1.521 -8.706 1.00 0.00 N ATOM 1211 CA ILE A 89 0.268 0.578 -8.003 1.00 0.00 C ATOM 1212 C ILE A 89 -0.755 -0.033 -8.954 1.00 0.00 C ATOM 1213 O ILE A 89 -1.201 0.614 -9.898 1.00 0.00 O ATOM 1214 CB ILE A 89 -0.462 1.265 -6.825 1.00 0.00 C ATOM 1215 CG1 ILE A 89 -1.563 0.357 -6.253 1.00 0.00 C ATOM 1216 CG2 ILE A 89 -1.028 2.609 -7.260 1.00 0.00 C ATOM 1217 CD1 ILE A 89 -2.908 0.501 -6.939 1.00 0.00 C ATOM 0 H ILE A 89 0.660 2.375 -9.007 1.00 0.00 H new ATOM 0 HA ILE A 89 0.902 -0.215 -7.607 1.00 0.00 H new ATOM 0 HB ILE A 89 0.263 1.443 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.238 -0.681 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.684 0.576 -5.192 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.538 3.078 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.216 3.254 -7.598 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -1.735 2.459 -8.076 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.627 -0.174 -6.475 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -3.259 1.528 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.806 0.252 -7.995 1.00 0.00 H new ATOM 1229 N VAL A 90 -1.123 -1.283 -8.700 1.00 0.00 N ATOM 1230 CA VAL A 90 -2.096 -1.973 -9.536 1.00 0.00 C ATOM 1231 C VAL A 90 -3.369 -2.275 -8.755 1.00 0.00 C ATOM 1232 O VAL A 90 -3.375 -3.112 -7.852 1.00 0.00 O ATOM 1233 CB VAL A 90 -1.521 -3.287 -10.099 1.00 0.00 C ATOM 1234 CG1 VAL A 90 -2.503 -3.932 -11.065 1.00 0.00 C ATOM 1235 CG2 VAL A 90 -0.182 -3.038 -10.776 1.00 0.00 C ATOM 0 H VAL A 90 -0.763 -1.838 -7.924 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.333 -1.308 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.360 -3.975 -9.269 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.078 -4.858 -11.451 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.436 -4.150 -10.544 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.700 -3.251 -11.893 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.208 -3.978 -11.167 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.314 -2.331 -11.595 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.521 -2.627 -10.052 1.00 0.00 H new ATOM 1245 N ALA A 91 -4.446 -1.578 -9.105 1.00 0.00 N ATOM 1246 CA ALA A 91 -5.728 -1.760 -8.436 1.00 0.00 C ATOM 1247 C ALA A 91 -6.171 -3.220 -8.476 1.00 0.00 C ATOM 1248 O ALA A 91 -6.025 -3.895 -9.496 1.00 0.00 O ATOM 1249 CB ALA A 91 -6.782 -0.867 -9.073 1.00 0.00 C ATOM 0 H ALA A 91 -4.455 -0.881 -9.850 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.608 -1.477 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.736 -1.011 -8.566 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -6.477 0.176 -8.984 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -6.889 -1.125 -10.127 1.00 0.00 H new ATOM 1255 N ALA A 92 -6.708 -3.698 -7.352 1.00 0.00 N ATOM 1256 CA ALA A 92 -7.181 -5.080 -7.229 1.00 0.00 C ATOM 1257 C ALA A 92 -6.053 -6.032 -6.840 1.00 0.00 C ATOM 1258 O ALA A 92 -6.301 -7.108 -6.296 1.00 0.00 O ATOM 1259 CB ALA A 92 -7.851 -5.545 -8.515 1.00 0.00 C ATOM 0 H ALA A 92 -6.827 -3.142 -6.505 1.00 0.00 H new ATOM 0 HA ALA A 92 -7.920 -5.096 -6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.192 -6.573 -8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.704 -4.902 -8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.137 -5.493 -9.337 1.00 0.00 H new ATOM 1265 N ALA A 93 -4.812 -5.636 -7.113 1.00 0.00 N ATOM 1266 CA ALA A 93 -3.657 -6.462 -6.778 1.00 0.00 C ATOM 1267 C ALA A 93 -3.585 -6.719 -5.275 1.00 0.00 C ATOM 1268 O ALA A 93 -2.922 -7.653 -4.824 1.00 0.00 O ATOM 1269 CB ALA A 93 -2.379 -5.794 -7.263 1.00 0.00 C ATOM 0 H ALA A 93 -4.582 -4.751 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.767 -7.424 -7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.523 -6.418 -7.008 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.424 -5.664 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.273 -4.820 -6.785 1.00 0.00 H new ATOM 1275 N GLY A 94 -4.268 -5.876 -4.505 1.00 0.00 N ATOM 1276 CA GLY A 94 -4.270 -6.011 -3.062 1.00 0.00 C ATOM 1277 C GLY A 94 -5.618 -6.449 -2.517 1.00 0.00 C ATOM 1278 O GLY A 94 -5.693 -7.103 -1.478 1.00 0.00 O ATOM 0 H GLY A 94 -4.823 -5.097 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.511 -6.736 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.993 -5.058 -2.611 1.00 0.00 H new ATOM 1282 N ARG A 95 -6.683 -6.064 -3.210 1.00 0.00 N ATOM 1283 CA ARG A 95 -8.040 -6.394 -2.784 1.00 0.00 C ATOM 1284 C ARG A 95 -8.220 -7.899 -2.608 1.00 0.00 C ATOM 1285 O ARG A 95 -8.957 -8.342 -1.728 1.00 0.00 O ATOM 1286 CB ARG A 95 -9.053 -5.873 -3.805 1.00 0.00 C ATOM 1287 CG ARG A 95 -9.280 -4.372 -3.730 1.00 0.00 C ATOM 1288 CD ARG A 95 -10.548 -3.964 -4.460 1.00 0.00 C ATOM 1289 NE ARG A 95 -11.719 -4.000 -3.586 1.00 0.00 N ATOM 1290 CZ ARG A 95 -12.038 -3.032 -2.730 1.00 0.00 C ATOM 1291 NH1 ARG A 95 -11.279 -1.947 -2.632 1.00 0.00 N ATOM 1292 NH2 ARG A 95 -13.118 -3.147 -1.971 1.00 0.00 N ATOM 0 H ARG A 95 -6.634 -5.521 -4.072 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.210 -5.915 -1.820 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.710 -6.130 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.004 -6.383 -3.653 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.345 -4.064 -2.686 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.426 -3.852 -4.163 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -10.427 -2.958 -4.862 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.708 -4.630 -5.308 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.329 -4.816 -3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -10.447 -1.852 -3.214 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.528 -1.208 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.705 -3.978 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.362 -2.405 -1.315 1.00 0.00 H new ATOM 1306 N GLU A 96 -7.548 -8.683 -3.444 1.00 0.00 N ATOM 1307 CA GLU A 96 -7.648 -10.138 -3.362 1.00 0.00 C ATOM 1308 C GLU A 96 -7.344 -10.626 -1.946 1.00 0.00 C ATOM 1309 O GLU A 96 -8.109 -11.398 -1.369 1.00 0.00 O ATOM 1310 CB GLU A 96 -6.690 -10.792 -4.358 1.00 0.00 C ATOM 1311 CG GLU A 96 -7.160 -12.150 -4.852 1.00 0.00 C ATOM 1312 CD GLU A 96 -6.943 -13.251 -3.832 1.00 0.00 C ATOM 1313 OE1 GLU A 96 -5.794 -13.414 -3.371 1.00 0.00 O ATOM 1314 OE2 GLU A 96 -7.922 -13.949 -3.494 1.00 0.00 O ATOM 0 H GLU A 96 -6.932 -8.340 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.670 -10.423 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.560 -10.129 -5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.712 -10.904 -3.889 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -8.220 -12.095 -5.101 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.630 -12.401 -5.770 1.00 0.00 H new ATOM 1321 N LEU A 97 -6.227 -10.163 -1.393 1.00 0.00 N ATOM 1322 CA LEU A 97 -5.827 -10.546 -0.043 1.00 0.00 C ATOM 1323 C LEU A 97 -6.730 -9.895 1.001 1.00 0.00 C ATOM 1324 O LEU A 97 -7.243 -10.562 1.899 1.00 0.00 O ATOM 1325 CB LEU A 97 -4.370 -10.157 0.215 1.00 0.00 C ATOM 1326 CG LEU A 97 -3.403 -10.483 -0.925 1.00 0.00 C ATOM 1327 CD1 LEU A 97 -1.999 -10.002 -0.591 1.00 0.00 C ATOM 1328 CD2 LEU A 97 -3.405 -11.977 -1.209 1.00 0.00 C ATOM 0 H LEU A 97 -5.583 -9.523 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 97 -5.926 -11.628 0.040 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.325 -9.086 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.028 -10.664 1.117 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.737 -9.961 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.326 -10.243 -1.414 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.011 -8.923 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.652 -10.495 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.712 -12.194 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.095 -12.518 -0.315 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.409 -12.292 -1.494 1.00 0.00 H new ATOM 1340 N PHE A 98 -6.911 -8.581 0.877 1.00 0.00 N ATOM 1341 CA PHE A 98 -7.745 -7.824 1.809 1.00 0.00 C ATOM 1342 C PHE A 98 -9.085 -8.519 2.048 1.00 0.00 C ATOM 1343 O PHE A 98 -9.463 -8.782 3.189 1.00 0.00 O ATOM 1344 CB PHE A 98 -7.978 -6.408 1.276 1.00 0.00 C ATOM 1345 CG PHE A 98 -7.470 -5.332 2.194 1.00 0.00 C ATOM 1346 CD1 PHE A 98 -7.888 -5.276 3.513 1.00 0.00 C ATOM 1347 CD2 PHE A 98 -6.576 -4.378 1.736 1.00 0.00 C ATOM 1348 CE1 PHE A 98 -7.423 -4.287 4.360 1.00 0.00 C ATOM 1349 CE2 PHE A 98 -6.107 -3.387 2.577 1.00 0.00 C ATOM 1350 CZ PHE A 98 -6.532 -3.342 3.891 1.00 0.00 C ATOM 0 H PHE A 98 -6.490 -8.017 0.138 1.00 0.00 H new ATOM 0 HA PHE A 98 -7.218 -7.769 2.762 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -7.490 -6.308 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -9.046 -6.261 1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -8.585 -6.013 3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.242 -4.409 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -7.756 -4.254 5.387 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -5.410 -2.649 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 98 -6.168 -2.568 4.551 1.00 0.00 H new ATOM 1360 N MET A 99 -9.796 -8.811 0.964 1.00 0.00 N ATOM 1361 CA MET A 99 -11.093 -9.473 1.059 1.00 0.00 C ATOM 1362 C MET A 99 -10.929 -10.944 1.425 1.00 0.00 C ATOM 1363 O MET A 99 -10.300 -11.709 0.694 1.00 0.00 O ATOM 1364 CB MET A 99 -11.851 -9.345 -0.263 1.00 0.00 C ATOM 1365 CG MET A 99 -11.896 -7.925 -0.803 1.00 0.00 C ATOM 1366 SD MET A 99 -13.030 -6.868 0.120 1.00 0.00 S ATOM 1367 CE MET A 99 -11.960 -6.299 1.439 1.00 0.00 C ATOM 0 H MET A 99 -9.497 -8.601 0.012 1.00 0.00 H new ATOM 0 HA MET A 99 -11.665 -8.984 1.847 1.00 0.00 H new ATOM 0 HB2 MET A 99 -11.383 -9.992 -1.005 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.871 -9.705 -0.124 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.895 -7.495 -0.769 1.00 0.00 H new ATOM 0 HG3 MET A 99 -12.197 -7.948 -1.850 1.00 0.00 H new ATOM 0 HE1 MET A 99 -12.143 -5.241 1.625 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.166 -6.867 2.346 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.919 -6.442 1.150 1.00 0.00 H new ATOM 1377 N THR A 100 -11.496 -11.333 2.562 1.00 0.00 N ATOM 1378 CA THR A 100 -11.413 -12.714 3.025 1.00 0.00 C ATOM 1379 C THR A 100 -12.434 -12.983 4.124 1.00 0.00 C ATOM 1380 O THR A 100 -13.171 -13.968 4.073 1.00 0.00 O ATOM 1381 CB THR A 100 -10.003 -13.018 3.535 1.00 0.00 C ATOM 1382 OG1 THR A 100 -9.954 -14.298 4.139 1.00 0.00 O ATOM 1383 CG2 THR A 100 -9.504 -12.012 4.550 1.00 0.00 C ATOM 0 H THR A 100 -12.018 -10.712 3.180 1.00 0.00 H new ATOM 0 HA THR A 100 -11.636 -13.368 2.182 1.00 0.00 H new ATOM 0 HB THR A 100 -9.361 -12.971 2.655 1.00 0.00 H new ATOM 0 HG1 THR A 100 -9.044 -14.475 4.457 1.00 0.00 H new ATOM 0 HG21 THR A 100 -8.499 -12.286 4.870 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.483 -11.020 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.170 -12.004 5.413 1.00 0.00 H new TER 1391 THR A 100 ATOM 1392 N THR B 111 -6.619 -9.580 15.682 1.00 0.00 N ATOM 1393 CA THR B 111 -6.035 -8.338 15.192 1.00 0.00 C ATOM 1394 C THR B 111 -5.682 -8.448 13.710 1.00 0.00 C ATOM 1395 O THR B 111 -5.265 -9.507 13.241 1.00 0.00 O ATOM 1396 CB THR B 111 -4.787 -7.983 15.999 1.00 0.00 C ATOM 1397 OG1 THR B 111 -3.852 -9.047 15.970 1.00 0.00 O ATOM 1398 CG2 THR B 111 -5.080 -7.670 17.451 1.00 0.00 C ATOM 0 HA THR B 111 -6.775 -7.547 15.313 1.00 0.00 H new ATOM 0 HB THR B 111 -4.383 -7.088 15.526 1.00 0.00 H new ATOM 0 HG1 THR B 111 -4.319 -9.888 15.781 1.00 0.00 H new ATOM 0 HG21 THR B 111 -4.150 -7.427 17.965 1.00 0.00 H new ATOM 0 HG22 THR B 111 -5.761 -6.821 17.510 1.00 0.00 H new ATOM 0 HG23 THR B 111 -5.540 -8.537 17.924 1.00 0.00 H new ATOM 1406 N PRO B 112 -5.846 -7.350 12.949 1.00 0.00 N ATOM 1407 CA PRO B 112 -5.543 -7.331 11.516 1.00 0.00 C ATOM 1408 C PRO B 112 -4.043 -7.286 11.242 1.00 0.00 C ATOM 1409 O PRO B 112 -3.230 -7.486 12.144 1.00 0.00 O ATOM 1410 CB PRO B 112 -6.215 -6.046 11.036 1.00 0.00 C ATOM 1411 CG PRO B 112 -6.200 -5.148 12.224 1.00 0.00 C ATOM 1412 CD PRO B 112 -6.341 -6.044 13.426 1.00 0.00 C ATOM 0 HA PRO B 112 -5.895 -8.229 11.009 1.00 0.00 H new ATOM 0 HB2 PRO B 112 -5.674 -5.605 10.199 1.00 0.00 H new ATOM 0 HB3 PRO B 112 -7.233 -6.235 10.694 1.00 0.00 H new ATOM 0 HG2 PRO B 112 -5.272 -4.578 12.270 1.00 0.00 H new ATOM 0 HG3 PRO B 112 -7.016 -4.427 12.178 1.00 0.00 H new ATOM 0 HD2 PRO B 112 -5.756 -5.678 14.269 1.00 0.00 H new ATOM 0 HD3 PRO B 112 -7.377 -6.106 13.760 1.00 0.00 H new ATOM 1420 N LEU B 113 -3.684 -7.018 9.991 1.00 0.00 N ATOM 1421 CA LEU B 113 -2.282 -6.944 9.597 1.00 0.00 C ATOM 1422 C LEU B 113 -1.665 -5.621 10.035 1.00 0.00 C ATOM 1423 O LEU B 113 -2.367 -4.712 10.476 1.00 0.00 O ATOM 1424 CB LEU B 113 -2.148 -7.105 8.081 1.00 0.00 C ATOM 1425 CG LEU B 113 -2.918 -8.284 7.484 1.00 0.00 C ATOM 1426 CD1 LEU B 113 -3.531 -7.901 6.146 1.00 0.00 C ATOM 1427 CD2 LEU B 113 -2.008 -9.491 7.328 1.00 0.00 C ATOM 0 H LEU B 113 -4.345 -6.848 9.233 1.00 0.00 H new ATOM 0 HA LEU B 113 -1.747 -7.756 10.091 1.00 0.00 H new ATOM 0 HB2 LEU B 113 -2.490 -6.188 7.602 1.00 0.00 H new ATOM 0 HB3 LEU B 113 -1.092 -7.218 7.835 1.00 0.00 H new ATOM 0 HG LEU B 113 -3.725 -8.548 8.168 1.00 0.00 H new ATOM 0 HD11 LEU B 113 -4.074 -8.753 5.738 1.00 0.00 H new ATOM 0 HD12 LEU B 113 -4.217 -7.066 6.286 1.00 0.00 H new ATOM 0 HD13 LEU B 113 -2.741 -7.609 5.454 1.00 0.00 H new ATOM 0 HD21 LEU B 113 -2.573 -10.320 6.902 1.00 0.00 H new ATOM 0 HD22 LEU B 113 -1.179 -9.239 6.666 1.00 0.00 H new ATOM 0 HD23 LEU B 113 -1.618 -9.781 8.304 1.00 0.00 H new ATOM 1439 N GLU B 114 -0.344 -5.518 9.911 1.00 0.00 N ATOM 1440 CA GLU B 114 0.367 -4.305 10.294 1.00 0.00 C ATOM 1441 C GLU B 114 -0.063 -3.127 9.426 1.00 0.00 C ATOM 1442 O GLU B 114 -0.438 -3.303 8.267 1.00 0.00 O ATOM 1443 CB GLU B 114 1.878 -4.515 10.177 1.00 0.00 C ATOM 1444 CG GLU B 114 2.470 -5.321 11.321 1.00 0.00 C ATOM 1445 CD GLU B 114 3.765 -4.729 11.843 1.00 0.00 C ATOM 1446 OE1 GLU B 114 4.655 -4.428 11.020 1.00 0.00 O ATOM 1447 OE2 GLU B 114 3.887 -4.566 13.076 1.00 0.00 O ATOM 0 H GLU B 114 0.254 -6.261 9.548 1.00 0.00 H new ATOM 0 HA GLU B 114 0.118 -4.080 11.331 1.00 0.00 H new ATOM 0 HB2 GLU B 114 2.094 -5.022 9.236 1.00 0.00 H new ATOM 0 HB3 GLU B 114 2.369 -3.543 10.136 1.00 0.00 H new ATOM 0 HG2 GLU B 114 1.746 -5.376 12.134 1.00 0.00 H new ATOM 0 HG3 GLU B 114 2.651 -6.342 10.986 1.00 0.00 H new ATOM 1454 N ILE B 115 -0.007 -1.926 9.994 1.00 0.00 N ATOM 1455 CA ILE B 115 -0.391 -0.721 9.267 1.00 0.00 C ATOM 1456 C ILE B 115 0.560 0.432 9.570 1.00 0.00 C ATOM 1457 O ILE B 115 0.972 0.629 10.713 1.00 0.00 O ATOM 1458 CB ILE B 115 -1.829 -0.291 9.616 1.00 0.00 C ATOM 1459 CG1 ILE B 115 -2.782 -1.483 9.502 1.00 0.00 C ATOM 1460 CG2 ILE B 115 -2.279 0.841 8.703 1.00 0.00 C ATOM 1461 CD1 ILE B 115 -4.219 -1.141 9.831 1.00 0.00 C ATOM 0 H ILE B 115 0.300 -1.762 10.953 1.00 0.00 H new ATOM 0 HA ILE B 115 -0.338 -0.961 8.205 1.00 0.00 H new ATOM 0 HB ILE B 115 -1.846 0.068 10.645 1.00 0.00 H new ATOM 0 HG12 ILE B 115 -2.734 -1.880 8.488 1.00 0.00 H new ATOM 0 HG13 ILE B 115 -2.443 -2.274 10.171 1.00 0.00 H new ATOM 0 HG21 ILE B 115 -3.297 1.134 8.961 1.00 0.00 H new ATOM 0 HG22 ILE B 115 -1.613 1.695 8.827 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -2.250 0.506 7.666 1.00 0.00 H new ATOM 0 HD11 ILE B 115 -4.838 -2.033 9.729 1.00 0.00 H new ATOM 0 HD12 ILE B 115 -4.280 -0.772 10.855 1.00 0.00 H new ATOM 0 HD13 ILE B 115 -4.576 -0.372 9.146 1.00 0.00 H new ATOM 1473 N THR B 116 0.904 1.194 8.536 1.00 0.00 N ATOM 1474 CA THR B 116 1.807 2.331 8.689 1.00 0.00 C ATOM 1475 C THR B 116 1.215 3.583 8.051 1.00 0.00 C ATOM 1476 O THR B 116 0.468 3.500 7.075 1.00 0.00 O ATOM 1477 CB THR B 116 3.167 2.017 8.060 1.00 0.00 C ATOM 1478 OG1 THR B 116 3.729 0.851 8.637 1.00 0.00 O ATOM 1479 CG2 THR B 116 4.171 3.137 8.215 1.00 0.00 C ATOM 0 H THR B 116 0.571 1.045 7.583 1.00 0.00 H new ATOM 0 HA THR B 116 1.942 2.517 9.755 1.00 0.00 H new ATOM 0 HB THR B 116 2.968 1.875 6.998 1.00 0.00 H new ATOM 0 HG1 THR B 116 3.918 0.196 7.933 1.00 0.00 H new ATOM 0 HG21 THR B 116 5.112 2.849 7.747 1.00 0.00 H new ATOM 0 HG22 THR B 116 3.788 4.038 7.735 1.00 0.00 H new ATOM 0 HG23 THR B 116 4.337 3.333 9.274 1.00 0.00 H new ATOM 1487 N GLU B 117 1.551 4.742 8.608 1.00 0.00 N ATOM 1488 CA GLU B 117 1.050 6.012 8.093 1.00 0.00 C ATOM 1489 C GLU B 117 2.060 6.656 7.149 1.00 0.00 C ATOM 1490 O GLU B 117 3.270 6.561 7.358 1.00 0.00 O ATOM 1491 CB GLU B 117 0.734 6.965 9.247 1.00 0.00 C ATOM 1492 CG GLU B 117 -0.260 6.400 10.249 1.00 0.00 C ATOM 1493 CD GLU B 117 0.110 6.724 11.683 1.00 0.00 C ATOM 1494 OE1 GLU B 117 1.313 6.670 12.013 1.00 0.00 O ATOM 1495 OE2 GLU B 117 -0.804 7.032 12.477 1.00 0.00 O ATOM 0 H GLU B 117 2.168 4.828 9.416 1.00 0.00 H new ATOM 0 HA GLU B 117 0.136 5.812 7.534 1.00 0.00 H new ATOM 0 HB2 GLU B 117 1.660 7.212 9.766 1.00 0.00 H new ATOM 0 HB3 GLU B 117 0.338 7.896 8.840 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -1.252 6.798 10.035 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -0.317 5.318 10.128 1.00 0.00 H new ATOM 1502 N LEU B 118 1.554 7.312 6.109 1.00 0.00 N ATOM 1503 CA LEU B 118 2.409 7.974 5.131 1.00 0.00 C ATOM 1504 C LEU B 118 1.903 9.381 4.829 1.00 0.00 C ATOM 1505 O LEU B 118 2.731 10.241 4.462 1.00 0.00 O ATOM 1506 CB LEU B 118 2.474 7.155 3.840 1.00 0.00 C ATOM 1507 CG LEU B 118 3.034 5.741 3.999 1.00 0.00 C ATOM 1508 CD1 LEU B 118 2.551 4.847 2.868 1.00 0.00 C ATOM 1509 CD2 LEU B 118 4.557 5.772 4.046 1.00 0.00 C ATOM 1510 OXT LEU B 118 0.682 9.611 4.961 1.00 0.00 O ATOM 0 H LEU B 118 0.555 7.399 5.922 1.00 0.00 H new ATOM 0 HA LEU B 118 3.410 8.050 5.555 1.00 0.00 H new ATOM 0 HB2 LEU B 118 1.471 7.087 3.420 1.00 0.00 H new ATOM 0 HB3 LEU B 118 3.087 7.693 3.117 1.00 0.00 H new ATOM 0 HG LEU B 118 2.670 5.330 4.941 1.00 0.00 H new ATOM 0 HD11 LEU B 118 2.959 3.845 2.997 1.00 0.00 H new ATOM 0 HD12 LEU B 118 1.462 4.800 2.881 1.00 0.00 H new ATOM 0 HD13 LEU B 118 2.885 5.255 1.914 1.00 0.00 H new ATOM 0 HD21 LEU B 118 4.938 4.757 4.159 1.00 0.00 H new ATOM 0 HD22 LEU B 118 4.941 6.203 3.121 1.00 0.00 H new ATOM 0 HD23 LEU B 118 4.883 6.378 4.891 1.00 0.00 H new TER 1522 LEU B 118