USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 947 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 113 SER OG : rot -95:sc= -3.07! USER MOD Set 1.2: A 116 HIS : no HD1:sc= -10.4! C(o=-13!,f=-21!) USER MOD Set 2.1: A 31 SER OG : rot 105:sc= 1.62 USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 88 TYR OH : rot -88:sc= -3.38! USER MOD Set 3.2: A 90 SER OG : rot -109:sc= 0.0217 USER MOD Set 3.3: A 92 THR OG1 : rot 63:sc= 0.853 USER MOD Set 3.4: A 94 ASN :FLIP amide:sc= -5.15! C(o=-11!,f=-7.7!) USER MOD Set 4.1: A 75 THR OG1 : rot -47:sc= -0.929! USER MOD Set 4.2: A 77 GLN : amide:sc= -3.51! C(o=-4.4!,f=-7.3!) USER MOD Set 5.1: A 55 HIS : no HD1:sc= -8.37! C(o=-12!,f=-13!) USER MOD Set 5.2: A 57 GLN : amide:sc= -4.04! C(o=-12!,f=-15!) USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= -4.81! (180deg=-5.13) USER MOD Single : A 29 TYR OH : rot -125:sc= 1.19 USER MOD Single : A 30 CYS SG : rot -30:sc= -1.16! USER MOD Single : A 35 HIS : no HE2:sc= -8.69! C(o=-8.7!,f=-9.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 84:sc= -4.81! USER MOD Single : A 52 SER OG : rot -61:sc= 1.13 USER MOD Single : A 54 GLN :FLIP amide:sc= -5.77! C(o=-8.6!,f=-5.8!) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.279 F(o=-1.3,f=-0.28) USER MOD Single : A 61 SER OG : rot -55:sc= 0.938 USER MOD Single : A 64 SER OG : rot 71:sc= 0.891 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0191 USER MOD Single : A 71 LYS NZ :NH3+ -111:sc= -4.5! (180deg=-7.3!) USER MOD Single : A 72 SER OG : rot 28:sc= 1.08 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 169:sc= -4.73! (180deg=-5.38!) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 CYS SG : rot 47:sc= -1.2 USER MOD Single : A 106 ASN : amide:sc=-0.00302 X(o=-0.003,f=-0.12) USER MOD Single : A 107 HIS :FLIP no HD1:sc= -3.41! C(o=-4.6!,f=-3.4!) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.98 F(o=-2.9!,f=-2) USER MOD Single : A 110 THR OG1 : rot 22:sc= -1.24 USER MOD Single : A 111 TYR OH : rot 174:sc= -7.63! USER MOD Single : A 114 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0279) USER MOD Single : A 115 LYS NZ :NH3+ 149:sc= -0.323 (180deg=-1.48!) USER MOD Single : A 119 LYS NZ :NH3+ 134:sc= 0.0332 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= -0.405 X(o=-0.4,f=-0.0031) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 ASN :FLIP amide:sc= -0.78 F(o=-1.8,f=-0.78) USER MOD Single : A 130 SER OG : rot 78:sc= 1.08 USER MOD Single : A 131 CYS SG : rot 180:sc= -1.63! USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 97:sc= 0.623 USER MOD Single : A 138 HIS : no HD1:sc= -0.7 K(o=-0.7,f=-1.9!) USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 26 -7.787 -7.326 10.345 1.00 0.00 N ATOM 38 CA LYS A 26 -6.938 -7.374 9.167 1.00 0.00 C ATOM 39 C LYS A 26 -5.658 -6.579 9.434 1.00 0.00 C ATOM 40 O LYS A 26 -5.680 -5.582 10.154 1.00 0.00 O ATOM 41 CB LYS A 26 -7.708 -6.902 7.932 1.00 0.00 C ATOM 42 CG LYS A 26 -6.849 -7.020 6.671 1.00 0.00 C ATOM 43 CD LYS A 26 -6.823 -5.700 5.898 1.00 0.00 C ATOM 44 CE LYS A 26 -6.032 -4.635 6.659 1.00 0.00 C ATOM 45 NZ LYS A 26 -6.818 -3.386 6.770 1.00 0.00 N ATOM 0 HA LYS A 26 -6.639 -8.400 8.955 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -8.615 -7.496 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.020 -5.867 8.068 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.833 -7.305 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.241 -7.811 6.032 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.376 -5.858 4.916 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.842 -5.352 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.780 -5.002 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.092 -4.435 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.225 -2.638 7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.138 -3.092 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.644 -3.549 7.380 1.00 0.00 H new ATOM 59 N LEU A 27 -4.572 -7.051 8.839 1.00 0.00 N ATOM 60 CA LEU A 27 -3.284 -6.397 9.004 1.00 0.00 C ATOM 61 C LEU A 27 -2.389 -6.736 7.810 1.00 0.00 C ATOM 62 O LEU A 27 -1.911 -7.862 7.688 1.00 0.00 O ATOM 63 CB LEU A 27 -2.669 -6.760 10.357 1.00 0.00 C ATOM 64 CG LEU A 27 -1.490 -7.735 10.318 1.00 0.00 C ATOM 65 CD1 LEU A 27 -0.281 -7.107 9.621 1.00 0.00 C ATOM 66 CD2 LEU A 27 -1.147 -8.236 11.722 1.00 0.00 C ATOM 0 H LEU A 27 -4.557 -7.878 8.242 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.404 -5.314 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.339 -5.841 10.842 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.449 -7.190 10.985 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.784 -8.604 9.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.542 -7.821 9.607 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.548 -6.841 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.025 -6.211 10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.306 -8.927 11.666 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.880 -7.390 12.355 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.010 -8.748 12.146 1.00 0.00 H new ATOM 78 N LEU A 28 -2.190 -5.740 6.959 1.00 0.00 N ATOM 79 CA LEU A 28 -1.360 -5.918 5.780 1.00 0.00 C ATOM 80 C LEU A 28 0.087 -6.165 6.212 1.00 0.00 C ATOM 81 O LEU A 28 0.481 -5.794 7.316 1.00 0.00 O ATOM 82 CB LEU A 28 -1.523 -4.732 4.826 1.00 0.00 C ATOM 83 CG LEU A 28 -1.296 -5.029 3.343 1.00 0.00 C ATOM 84 CD1 LEU A 28 -1.948 -3.960 2.463 1.00 0.00 C ATOM 85 CD2 LEU A 28 0.195 -5.189 3.038 1.00 0.00 C ATOM 0 H LEU A 28 -2.589 -4.807 7.063 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.680 -6.796 5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.529 -4.330 4.946 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.829 -3.949 5.130 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.778 -5.978 3.108 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.771 -4.195 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.021 -3.936 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.517 -2.986 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.329 -5.400 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.720 -4.269 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.600 -6.013 3.625 1.00 0.00 H new ATOM 97 N TYR A 29 0.839 -6.789 5.318 1.00 0.00 N ATOM 98 CA TYR A 29 2.234 -7.090 5.592 1.00 0.00 C ATOM 99 C TYR A 29 3.018 -7.289 4.294 1.00 0.00 C ATOM 100 O TYR A 29 2.440 -7.622 3.260 1.00 0.00 O ATOM 101 CB TYR A 29 2.235 -8.401 6.381 1.00 0.00 C ATOM 102 CG TYR A 29 3.555 -9.172 6.305 1.00 0.00 C ATOM 103 CD1 TYR A 29 4.714 -8.605 6.793 1.00 0.00 C ATOM 104 CD2 TYR A 29 3.585 -10.434 5.748 1.00 0.00 C ATOM 105 CE1 TYR A 29 5.956 -9.330 6.722 1.00 0.00 C ATOM 106 CE2 TYR A 29 4.827 -11.160 5.676 1.00 0.00 C ATOM 107 CZ TYR A 29 5.951 -10.572 6.167 1.00 0.00 C ATOM 108 OH TYR A 29 7.124 -11.257 6.099 1.00 0.00 O ATOM 0 H TYR A 29 0.509 -7.095 4.403 1.00 0.00 H new ATOM 0 HA TYR A 29 2.703 -6.272 6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.012 -8.185 7.426 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.432 -9.038 6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.690 -7.617 7.228 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.677 -10.877 5.366 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.870 -8.898 7.101 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.865 -12.148 5.242 1.00 0.00 H new ATOM 0 HH TYR A 29 7.293 -11.524 5.172 1.00 0.00 H new ATOM 118 N CYS A 30 4.322 -7.077 4.389 1.00 0.00 N ATOM 119 CA CYS A 30 5.191 -7.229 3.234 1.00 0.00 C ATOM 120 C CYS A 30 5.481 -8.720 3.044 1.00 0.00 C ATOM 121 O CYS A 30 5.213 -9.526 3.933 1.00 0.00 O ATOM 122 CB CYS A 30 6.477 -6.413 3.383 1.00 0.00 C ATOM 123 SG CYS A 30 6.120 -4.634 3.138 1.00 0.00 S ATOM 0 H CYS A 30 4.798 -6.801 5.248 1.00 0.00 H new ATOM 0 HA CYS A 30 4.692 -6.840 2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.907 -6.573 4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.216 -6.748 2.656 1.00 0.00 H new ATOM 0 HG CYS A 30 5.121 -4.501 2.317 1.00 0.00 H new ATOM 129 N SER A 31 6.025 -9.040 1.879 1.00 0.00 N ATOM 130 CA SER A 31 6.353 -10.419 1.561 1.00 0.00 C ATOM 131 C SER A 31 7.554 -10.876 2.393 1.00 0.00 C ATOM 132 O SER A 31 7.485 -10.914 3.620 1.00 0.00 O ATOM 133 CB SER A 31 6.647 -10.585 0.069 1.00 0.00 C ATOM 134 OG SER A 31 7.439 -11.740 -0.194 1.00 0.00 O ATOM 0 H SER A 31 6.247 -8.368 1.144 1.00 0.00 H new ATOM 0 HA SER A 31 5.492 -11.041 1.805 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.708 -10.657 -0.480 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.164 -9.699 -0.299 1.00 0.00 H new ATOM 0 HG SER A 31 6.876 -12.441 -0.584 1.00 0.00 H new ATOM 168 N HIS A 35 8.203 -5.163 5.668 1.00 0.00 N ATOM 169 CA HIS A 35 7.541 -4.354 6.677 1.00 0.00 C ATOM 170 C HIS A 35 6.026 -4.541 6.572 1.00 0.00 C ATOM 171 O HIS A 35 5.549 -5.336 5.763 1.00 0.00 O ATOM 172 CB HIS A 35 7.967 -2.889 6.565 1.00 0.00 C ATOM 173 CG HIS A 35 9.434 -2.654 6.831 1.00 0.00 C ATOM 174 ND1 HIS A 35 10.431 -3.450 6.294 1.00 0.00 N ATOM 175 CD2 HIS A 35 10.063 -1.704 7.582 1.00 0.00 C ATOM 176 CE1 HIS A 35 11.602 -2.992 6.710 1.00 0.00 C ATOM 177 NE2 HIS A 35 11.372 -1.910 7.509 1.00 0.00 N ATOM 0 HA HIS A 35 7.845 -4.685 7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.727 -2.527 5.565 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.381 -2.296 7.268 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.288 -4.253 5.682 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.578 -0.918 8.141 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.569 -3.403 6.461 1.00 0.00 H new ATOM 185 N PHE A 36 5.311 -3.795 7.401 1.00 0.00 N ATOM 186 CA PHE A 36 3.860 -3.868 7.411 1.00 0.00 C ATOM 187 C PHE A 36 3.239 -2.491 7.165 1.00 0.00 C ATOM 188 O PHE A 36 3.136 -1.680 8.084 1.00 0.00 O ATOM 189 CB PHE A 36 3.446 -4.360 8.800 1.00 0.00 C ATOM 190 CG PHE A 36 3.867 -5.800 9.101 1.00 0.00 C ATOM 191 CD1 PHE A 36 5.158 -6.078 9.423 1.00 0.00 C ATOM 192 CD2 PHE A 36 2.948 -6.802 9.046 1.00 0.00 C ATOM 193 CE1 PHE A 36 5.548 -7.414 9.702 1.00 0.00 C ATOM 194 CE2 PHE A 36 3.338 -8.138 9.326 1.00 0.00 C ATOM 195 CZ PHE A 36 4.630 -8.416 9.648 1.00 0.00 C ATOM 0 H PHE A 36 5.710 -3.137 8.071 1.00 0.00 H new ATOM 0 HA PHE A 36 3.516 -4.538 6.623 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.880 -3.701 9.552 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.363 -4.282 8.894 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.887 -5.282 9.467 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.922 -6.581 8.789 1.00 0.00 H new ATOM 0 HE1 PHE A 36 6.574 -7.635 9.957 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.609 -8.934 9.283 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.927 -9.432 9.861 1.00 0.00 H new ATOM 205 N LEU A 37 2.843 -2.270 5.920 1.00 0.00 N ATOM 206 CA LEU A 37 2.235 -1.006 5.542 1.00 0.00 C ATOM 207 C LEU A 37 1.495 -0.420 6.746 1.00 0.00 C ATOM 208 O LEU A 37 0.864 -1.151 7.507 1.00 0.00 O ATOM 209 CB LEU A 37 1.353 -1.184 4.305 1.00 0.00 C ATOM 210 CG LEU A 37 1.872 -0.549 3.013 1.00 0.00 C ATOM 211 CD1 LEU A 37 1.164 -1.135 1.791 1.00 0.00 C ATOM 212 CD2 LEU A 37 1.756 0.976 3.067 1.00 0.00 C ATOM 0 H LEU A 37 2.931 -2.945 5.160 1.00 0.00 H new ATOM 0 HA LEU A 37 3.001 -0.285 5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.216 -2.251 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.369 -0.767 4.522 1.00 0.00 H new ATOM 0 HG LEU A 37 2.931 -0.788 2.916 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.552 -0.666 0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.342 -2.210 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.093 -0.947 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.132 1.403 2.137 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.711 1.257 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.343 1.356 3.903 1.00 0.00 H new ATOM 224 N ARG A 38 1.597 0.894 6.880 1.00 0.00 N ATOM 225 CA ARG A 38 0.945 1.587 7.979 1.00 0.00 C ATOM 226 C ARG A 38 0.467 2.968 7.526 1.00 0.00 C ATOM 227 O ARG A 38 0.986 3.523 6.559 1.00 0.00 O ATOM 228 CB ARG A 38 1.893 1.748 9.169 1.00 0.00 C ATOM 229 CG ARG A 38 3.055 2.681 8.822 1.00 0.00 C ATOM 230 CD ARG A 38 3.629 3.334 10.081 1.00 0.00 C ATOM 231 NE ARG A 38 3.851 2.309 11.126 1.00 0.00 N ATOM 232 CZ ARG A 38 4.664 2.473 12.178 1.00 0.00 C ATOM 233 NH1 ARG A 38 5.338 3.621 12.332 1.00 0.00 N ATOM 234 NH2 ARG A 38 4.804 1.488 13.076 1.00 0.00 N ATOM 0 H ARG A 38 2.121 1.497 6.246 1.00 0.00 H new ATOM 0 HA ARG A 38 0.090 0.986 8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.345 2.146 10.024 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.281 0.773 9.464 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.837 2.119 8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.713 3.452 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.568 3.834 9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.944 4.098 10.449 1.00 0.00 H new ATOM 0 HE ARG A 38 3.354 1.423 11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.232 4.370 11.648 1.00 0.00 H new ATOM 0 HH12 ARG A 38 5.957 3.745 13.133 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.292 0.614 12.958 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.423 1.612 13.877 1.00 0.00 H new ATOM 248 N ILE A 39 -0.518 3.484 8.247 1.00 0.00 N ATOM 249 CA ILE A 39 -1.073 4.789 7.932 1.00 0.00 C ATOM 250 C ILE A 39 -1.399 5.527 9.231 1.00 0.00 C ATOM 251 O ILE A 39 -1.679 4.900 10.252 1.00 0.00 O ATOM 252 CB ILE A 39 -2.268 4.650 6.987 1.00 0.00 C ATOM 253 CG1 ILE A 39 -2.223 5.711 5.885 1.00 0.00 C ATOM 254 CG2 ILE A 39 -3.587 4.684 7.762 1.00 0.00 C ATOM 255 CD1 ILE A 39 -2.341 5.070 4.501 1.00 0.00 C ATOM 0 H ILE A 39 -0.946 3.021 9.049 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.342 5.394 7.396 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.206 3.677 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.034 6.425 6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.290 6.271 5.952 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.420 4.583 7.067 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.610 3.862 8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.672 5.631 8.295 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.306 5.846 3.736 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.515 4.375 4.350 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.286 4.532 4.429 1.00 0.00 H new ATOM 267 N LEU A 40 -1.352 6.849 9.152 1.00 0.00 N ATOM 268 CA LEU A 40 -1.640 7.679 10.309 1.00 0.00 C ATOM 269 C LEU A 40 -2.985 8.379 10.108 1.00 0.00 C ATOM 270 O LEU A 40 -3.339 8.742 8.987 1.00 0.00 O ATOM 271 CB LEU A 40 -0.481 8.641 10.580 1.00 0.00 C ATOM 272 CG LEU A 40 0.906 8.004 10.696 1.00 0.00 C ATOM 273 CD1 LEU A 40 0.816 6.600 11.296 1.00 0.00 C ATOM 274 CD2 LEU A 40 1.624 8.005 9.345 1.00 0.00 C ATOM 0 H LEU A 40 -1.119 7.366 8.304 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.731 7.065 11.205 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.454 9.380 9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.690 9.179 11.504 1.00 0.00 H new ATOM 0 HG LEU A 40 1.503 8.608 11.379 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.815 6.170 11.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.374 6.657 12.291 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.195 5.971 10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.607 7.547 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.038 7.438 8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.739 9.031 8.995 1.00 0.00 H new ATOM 286 N PRO A 41 -3.718 8.552 11.241 1.00 0.00 N ATOM 287 CA PRO A 41 -5.017 9.201 11.200 1.00 0.00 C ATOM 288 C PRO A 41 -4.868 10.714 11.024 1.00 0.00 C ATOM 289 O PRO A 41 -5.860 11.442 11.015 1.00 0.00 O ATOM 290 CB PRO A 41 -5.690 8.819 12.508 1.00 0.00 C ATOM 291 CG PRO A 41 -4.574 8.358 13.431 1.00 0.00 C ATOM 292 CD PRO A 41 -3.331 8.134 12.585 1.00 0.00 C ATOM 0 HA PRO A 41 -5.620 8.882 10.350 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.224 9.668 12.935 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.422 8.026 12.354 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.382 9.106 14.201 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.858 7.439 13.943 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.489 8.719 12.955 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.024 7.088 12.602 1.00 0.00 H new ATOM 300 N ASP A 42 -3.622 11.142 10.888 1.00 0.00 N ATOM 301 CA ASP A 42 -3.330 12.555 10.713 1.00 0.00 C ATOM 302 C ASP A 42 -3.362 12.897 9.222 1.00 0.00 C ATOM 303 O ASP A 42 -4.067 13.815 8.807 1.00 0.00 O ATOM 304 CB ASP A 42 -1.939 12.900 11.248 1.00 0.00 C ATOM 305 CG ASP A 42 -1.824 14.274 11.910 1.00 0.00 C ATOM 306 OD1 ASP A 42 -2.272 15.251 11.272 1.00 0.00 O ATOM 307 OD2 ASP A 42 -1.291 14.317 13.040 1.00 0.00 O ATOM 0 H ASP A 42 -2.802 10.535 10.895 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.079 13.125 11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.645 12.139 11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.227 12.849 10.425 1.00 0.00 H new ATOM 312 N GLY A 43 -2.590 12.139 8.457 1.00 0.00 N ATOM 313 CA GLY A 43 -2.521 12.350 7.021 1.00 0.00 C ATOM 314 C GLY A 43 -1.149 11.952 6.474 1.00 0.00 C ATOM 315 O GLY A 43 -0.558 12.681 5.678 1.00 0.00 O ATOM 0 H GLY A 43 -2.007 11.378 8.805 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.297 11.766 6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -2.717 13.398 6.794 1.00 0.00 H new ATOM 319 N THR A 44 -0.681 10.796 6.922 1.00 0.00 N ATOM 320 CA THR A 44 0.610 10.291 6.487 1.00 0.00 C ATOM 321 C THR A 44 0.559 8.772 6.316 1.00 0.00 C ATOM 322 O THR A 44 -0.408 8.130 6.723 1.00 0.00 O ATOM 323 CB THR A 44 1.663 10.755 7.495 1.00 0.00 C ATOM 324 OG1 THR A 44 1.963 12.089 7.095 1.00 0.00 O ATOM 325 CG2 THR A 44 2.991 10.012 7.339 1.00 0.00 C ATOM 0 H THR A 44 -1.173 10.194 7.582 1.00 0.00 H new ATOM 0 HA THR A 44 0.880 10.687 5.508 1.00 0.00 H new ATOM 0 HB THR A 44 1.284 10.612 8.507 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.637 12.467 7.697 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.703 10.380 8.078 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.830 8.944 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.388 10.182 6.338 1.00 0.00 H new ATOM 333 N VAL A 45 1.613 8.240 5.715 1.00 0.00 N ATOM 334 CA VAL A 45 1.701 6.808 5.486 1.00 0.00 C ATOM 335 C VAL A 45 3.157 6.361 5.635 1.00 0.00 C ATOM 336 O VAL A 45 4.068 7.187 5.626 1.00 0.00 O ATOM 337 CB VAL A 45 1.105 6.459 4.121 1.00 0.00 C ATOM 338 CG1 VAL A 45 0.537 5.038 4.118 1.00 0.00 C ATOM 339 CG2 VAL A 45 0.039 7.477 3.712 1.00 0.00 C ATOM 0 H VAL A 45 2.414 8.775 5.379 1.00 0.00 H new ATOM 0 HA VAL A 45 1.117 6.265 6.229 1.00 0.00 H new ATOM 0 HB VAL A 45 1.907 6.500 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.119 4.815 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.332 4.328 4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.246 4.958 4.872 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.369 7.206 2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.762 7.483 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.487 8.469 3.654 1.00 0.00 H new ATOM 349 N ASP A 46 3.330 5.054 5.768 1.00 0.00 N ATOM 350 CA ASP A 46 4.659 4.487 5.918 1.00 0.00 C ATOM 351 C ASP A 46 4.541 2.986 6.192 1.00 0.00 C ATOM 352 O ASP A 46 3.454 2.418 6.099 1.00 0.00 O ATOM 353 CB ASP A 46 5.401 5.125 7.095 1.00 0.00 C ATOM 354 CG ASP A 46 4.532 5.980 8.019 1.00 0.00 C ATOM 355 OD1 ASP A 46 3.382 5.557 8.269 1.00 0.00 O ATOM 356 OD2 ASP A 46 5.037 7.037 8.455 1.00 0.00 O ATOM 0 H ASP A 46 2.572 4.372 5.775 1.00 0.00 H new ATOM 0 HA ASP A 46 5.212 4.676 4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.864 4.334 7.685 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.208 5.745 6.704 1.00 0.00 H new ATOM 361 N GLY A 47 5.674 2.386 6.525 1.00 0.00 N ATOM 362 CA GLY A 47 5.711 0.963 6.813 1.00 0.00 C ATOM 363 C GLY A 47 6.536 0.679 8.070 1.00 0.00 C ATOM 364 O GLY A 47 7.278 1.541 8.538 1.00 0.00 O ATOM 0 H GLY A 47 6.574 2.860 6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.696 0.589 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.138 0.428 5.965 1.00 0.00 H new ATOM 368 N THR A 48 6.379 -0.534 8.581 1.00 0.00 N ATOM 369 CA THR A 48 7.100 -0.942 9.774 1.00 0.00 C ATOM 370 C THR A 48 7.577 -2.390 9.640 1.00 0.00 C ATOM 371 O THR A 48 6.785 -3.283 9.344 1.00 0.00 O ATOM 372 CB THR A 48 6.187 -0.712 10.980 1.00 0.00 C ATOM 373 OG1 THR A 48 5.528 0.517 10.687 1.00 0.00 O ATOM 374 CG2 THR A 48 6.971 -0.419 12.261 1.00 0.00 C ATOM 0 H THR A 48 5.763 -1.247 8.190 1.00 0.00 H new ATOM 0 HA THR A 48 8.003 -0.347 9.913 1.00 0.00 H new ATOM 0 HB THR A 48 5.559 -1.590 11.132 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.753 0.344 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.275 -0.264 13.086 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.623 -1.262 12.490 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.574 0.478 12.121 1.00 0.00 H new ATOM 382 N ARG A 49 8.869 -2.577 9.865 1.00 0.00 N ATOM 383 CA ARG A 49 9.461 -3.900 9.773 1.00 0.00 C ATOM 384 C ARG A 49 8.569 -4.930 10.469 1.00 0.00 C ATOM 385 O ARG A 49 8.490 -6.080 10.039 1.00 0.00 O ATOM 386 CB ARG A 49 10.852 -3.928 10.409 1.00 0.00 C ATOM 387 CG ARG A 49 11.469 -5.324 10.318 1.00 0.00 C ATOM 388 CD ARG A 49 11.406 -6.041 11.668 1.00 0.00 C ATOM 389 NE ARG A 49 12.759 -6.490 12.067 1.00 0.00 N ATOM 390 CZ ARG A 49 12.998 -7.400 13.021 1.00 0.00 C ATOM 391 NH1 ARG A 49 11.976 -7.963 13.681 1.00 0.00 N ATOM 392 NH2 ARG A 49 14.258 -7.747 13.316 1.00 0.00 N ATOM 0 H ARG A 49 9.523 -1.834 10.111 1.00 0.00 H new ATOM 0 HA ARG A 49 9.553 -4.148 8.716 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.499 -3.207 9.909 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.784 -3.624 11.454 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.941 -5.910 9.566 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.506 -5.246 9.992 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.998 -5.372 12.426 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.734 -6.897 11.603 1.00 0.00 H new ATOM 0 HE ARG A 49 13.560 -6.081 11.585 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.017 -7.699 13.457 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.158 -8.656 14.407 1.00 0.00 H new ATOM 0 HH21 ARG A 49 15.036 -7.318 12.814 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.439 -8.440 14.042 1.00 0.00 H new ATOM 406 N ASP A 50 7.919 -4.480 11.533 1.00 0.00 N ATOM 407 CA ASP A 50 7.036 -5.348 12.293 1.00 0.00 C ATOM 408 C ASP A 50 5.842 -4.536 12.800 1.00 0.00 C ATOM 409 O ASP A 50 6.007 -3.623 13.608 1.00 0.00 O ATOM 410 CB ASP A 50 7.755 -5.940 13.506 1.00 0.00 C ATOM 411 CG ASP A 50 8.222 -7.387 13.339 1.00 0.00 C ATOM 412 OD1 ASP A 50 8.787 -7.680 12.263 1.00 0.00 O ATOM 413 OD2 ASP A 50 8.005 -8.167 14.291 1.00 0.00 O ATOM 0 H ASP A 50 7.987 -3.526 11.886 1.00 0.00 H new ATOM 0 HA ASP A 50 6.711 -6.156 11.637 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.621 -5.319 13.735 1.00 0.00 H new ATOM 0 HB3 ASP A 50 7.088 -5.886 14.366 1.00 0.00 H new ATOM 418 N ARG A 51 4.668 -4.897 12.305 1.00 0.00 N ATOM 419 CA ARG A 51 3.448 -4.213 12.698 1.00 0.00 C ATOM 420 C ARG A 51 3.517 -3.810 14.172 1.00 0.00 C ATOM 421 O ARG A 51 3.695 -4.659 15.044 1.00 0.00 O ATOM 422 CB ARG A 51 2.222 -5.102 12.476 1.00 0.00 C ATOM 423 CG ARG A 51 2.367 -6.431 13.221 1.00 0.00 C ATOM 424 CD ARG A 51 2.496 -7.598 12.240 1.00 0.00 C ATOM 425 NE ARG A 51 1.567 -8.686 12.622 1.00 0.00 N ATOM 426 CZ ARG A 51 1.728 -9.969 12.272 1.00 0.00 C ATOM 427 NH1 ARG A 51 2.782 -10.333 11.529 1.00 0.00 N ATOM 428 NH2 ARG A 51 0.835 -10.888 12.664 1.00 0.00 N ATOM 0 H ARG A 51 4.535 -5.655 11.635 1.00 0.00 H new ATOM 0 HA ARG A 51 3.353 -3.321 12.078 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.326 -4.585 12.819 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.093 -5.290 11.410 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.244 -6.396 13.867 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.502 -6.587 13.866 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.275 -7.259 11.228 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.521 -7.969 12.236 1.00 0.00 H new ATOM 0 HE ARG A 51 0.753 -8.443 13.187 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.461 -9.633 11.230 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.905 -11.310 11.262 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.032 -10.611 13.229 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.958 -11.865 12.397 1.00 0.00 H new ATOM 442 N SER A 52 3.372 -2.514 14.405 1.00 0.00 N ATOM 443 CA SER A 52 3.415 -1.987 15.759 1.00 0.00 C ATOM 444 C SER A 52 3.230 -0.469 15.736 1.00 0.00 C ATOM 445 O SER A 52 4.169 0.279 16.006 1.00 0.00 O ATOM 446 CB SER A 52 4.732 -2.351 16.449 1.00 0.00 C ATOM 447 OG SER A 52 5.124 -1.367 17.402 1.00 0.00 O ATOM 0 H SER A 52 3.225 -1.813 13.679 1.00 0.00 H new ATOM 0 HA SER A 52 2.601 -2.437 16.328 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.627 -3.315 16.946 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.515 -2.462 15.699 1.00 0.00 H new ATOM 0 HG SER A 52 5.255 -0.507 16.950 1.00 0.00 H new ATOM 453 N ASP A 53 2.013 -0.058 15.411 1.00 0.00 N ATOM 454 CA ASP A 53 1.692 1.358 15.349 1.00 0.00 C ATOM 455 C ASP A 53 0.247 1.569 15.804 1.00 0.00 C ATOM 456 O ASP A 53 -0.435 0.617 16.179 1.00 0.00 O ATOM 457 CB ASP A 53 1.821 1.890 13.921 1.00 0.00 C ATOM 458 CG ASP A 53 2.391 3.305 13.807 1.00 0.00 C ATOM 459 OD1 ASP A 53 3.217 3.656 14.677 1.00 0.00 O ATOM 460 OD2 ASP A 53 1.989 4.004 12.852 1.00 0.00 O ATOM 0 H ASP A 53 1.237 -0.681 15.188 1.00 0.00 H new ATOM 0 HA ASP A 53 2.389 1.891 15.996 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.457 1.211 13.353 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.837 1.872 13.452 1.00 0.00 H new ATOM 465 N GLN A 54 -0.177 2.824 15.756 1.00 0.00 N ATOM 466 CA GLN A 54 -1.529 3.172 16.159 1.00 0.00 C ATOM 467 C GLN A 54 -2.549 2.395 15.324 1.00 0.00 C ATOM 468 O GLN A 54 -3.562 1.934 15.846 1.00 0.00 O ATOM 469 CB GLN A 54 -1.763 4.680 16.046 1.00 0.00 C ATOM 470 CG GLN A 54 -2.047 5.084 14.598 1.00 0.00 C ATOM 471 CD GLN A 54 -0.802 4.911 13.726 1.00 0.00 C ATOM 472 OE1 GLN A 54 -1.029 4.277 12.579 1.00 0.00 O flip ATOM 473 NE2 GLN A 54 0.292 5.326 14.072 1.00 0.00 N flip ATOM 0 H GLN A 54 0.392 3.611 15.444 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.658 2.894 17.205 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.601 4.970 16.679 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.887 5.216 16.412 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.861 4.478 14.200 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.377 6.122 14.565 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.396 5.805 14.967 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.102 5.194 13.467 1.00 0.00 H new ATOM 482 N HIS A 55 -2.245 2.275 14.040 1.00 0.00 N ATOM 483 CA HIS A 55 -3.123 1.562 13.127 1.00 0.00 C ATOM 484 C HIS A 55 -2.445 1.431 11.761 1.00 0.00 C ATOM 485 O HIS A 55 -2.354 2.403 11.014 1.00 0.00 O ATOM 486 CB HIS A 55 -4.491 2.241 13.047 1.00 0.00 C ATOM 487 CG HIS A 55 -5.538 1.620 13.941 1.00 0.00 C ATOM 488 ND1 HIS A 55 -5.925 0.296 13.835 1.00 0.00 N ATOM 489 CD2 HIS A 55 -6.273 2.156 14.958 1.00 0.00 C ATOM 490 CE1 HIS A 55 -6.852 0.056 14.751 1.00 0.00 C ATOM 491 NE2 HIS A 55 -7.066 1.210 15.445 1.00 0.00 N ATOM 0 H HIS A 55 -1.404 2.659 13.610 1.00 0.00 H new ATOM 0 HA HIS A 55 -3.304 0.555 13.503 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.379 3.292 13.312 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -4.842 2.207 12.016 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -6.219 3.177 15.307 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.350 -0.887 14.918 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -7.727 1.327 16.213 1.00 0.00 H new ATOM 499 N ILE A 56 -1.988 0.220 11.477 1.00 0.00 N ATOM 500 CA ILE A 56 -1.322 -0.051 10.215 1.00 0.00 C ATOM 501 C ILE A 56 -2.208 -0.960 9.360 1.00 0.00 C ATOM 502 O ILE A 56 -1.705 -1.761 8.573 1.00 0.00 O ATOM 503 CB ILE A 56 0.081 -0.612 10.459 1.00 0.00 C ATOM 504 CG1 ILE A 56 0.040 -2.132 10.635 1.00 0.00 C ATOM 505 CG2 ILE A 56 0.752 0.085 11.644 1.00 0.00 C ATOM 506 CD1 ILE A 56 -1.009 -2.535 11.673 1.00 0.00 C ATOM 0 H ILE A 56 -2.066 -0.584 12.100 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.178 0.873 9.654 1.00 0.00 H new ATOM 0 HB ILE A 56 0.690 -0.406 9.579 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.187 -2.606 9.680 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.021 -2.492 10.945 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.747 -0.332 11.796 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.834 1.153 11.440 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.154 -0.068 12.542 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.018 -3.620 11.779 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.766 -2.079 12.632 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.992 -2.194 11.348 1.00 0.00 H new ATOM 518 N GLN A 57 -3.511 -0.805 9.544 1.00 0.00 N ATOM 519 CA GLN A 57 -4.471 -1.601 8.800 1.00 0.00 C ATOM 520 C GLN A 57 -4.659 -1.029 7.393 1.00 0.00 C ATOM 521 O GLN A 57 -5.006 0.140 7.236 1.00 0.00 O ATOM 522 CB GLN A 57 -5.807 -1.683 9.541 1.00 0.00 C ATOM 523 CG GLN A 57 -5.923 -2.995 10.320 1.00 0.00 C ATOM 524 CD GLN A 57 -6.345 -2.737 11.768 1.00 0.00 C ATOM 525 OE1 GLN A 57 -7.517 -2.640 12.093 1.00 0.00 O ATOM 526 NE2 GLN A 57 -5.327 -2.632 12.618 1.00 0.00 N ATOM 0 H GLN A 57 -3.924 -0.140 10.198 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.080 -2.614 8.710 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.899 -0.840 10.226 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.628 -1.606 8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.651 -3.646 9.836 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.967 -3.518 10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.369 -2.723 12.280 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.505 -2.460 13.608 1.00 0.00 H new ATOM 535 N LEU A 58 -4.421 -1.881 6.406 1.00 0.00 N ATOM 536 CA LEU A 58 -4.559 -1.474 5.018 1.00 0.00 C ATOM 537 C LEU A 58 -5.408 -2.505 4.272 1.00 0.00 C ATOM 538 O LEU A 58 -5.014 -3.663 4.142 1.00 0.00 O ATOM 539 CB LEU A 58 -3.184 -1.239 4.389 1.00 0.00 C ATOM 540 CG LEU A 58 -2.426 -0.003 4.877 1.00 0.00 C ATOM 541 CD1 LEU A 58 -1.481 -0.358 6.026 1.00 0.00 C ATOM 542 CD2 LEU A 58 -1.693 0.682 3.722 1.00 0.00 C ATOM 0 H LEU A 58 -4.134 -2.850 6.540 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.082 -0.520 4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.566 -2.117 4.576 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.309 -1.161 3.309 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.151 0.711 5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.954 0.538 6.354 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.056 -0.766 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.758 -1.100 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.162 1.558 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.979 -0.014 3.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.414 0.991 2.965 1.00 0.00 H new ATOM 554 N GLN A 59 -6.559 -2.047 3.800 1.00 0.00 N ATOM 555 CA GLN A 59 -7.467 -2.915 3.070 1.00 0.00 C ATOM 556 C GLN A 59 -7.494 -2.530 1.590 1.00 0.00 C ATOM 557 O GLN A 59 -7.543 -1.348 1.253 1.00 0.00 O ATOM 558 CB GLN A 59 -8.872 -2.871 3.674 1.00 0.00 C ATOM 559 CG GLN A 59 -9.868 -3.637 2.802 1.00 0.00 C ATOM 560 CD GLN A 59 -10.447 -4.837 3.555 1.00 0.00 C ATOM 561 OE1 GLN A 59 -9.527 -5.654 4.059 1.00 0.00 O flip ATOM 562 NE2 GLN A 59 -11.649 -5.009 3.671 1.00 0.00 N flip ATOM 0 H GLN A 59 -6.883 -1.086 3.909 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.104 -3.940 3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.855 -3.301 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.195 -1.835 3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -10.675 -2.972 2.495 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -9.373 -3.978 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -12.302 -4.342 3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.001 -5.820 4.180 1.00 0.00 H new ATOM 571 N LEU A 60 -7.462 -3.550 0.745 1.00 0.00 N ATOM 572 CA LEU A 60 -7.482 -3.333 -0.692 1.00 0.00 C ATOM 573 C LEU A 60 -8.917 -3.471 -1.204 1.00 0.00 C ATOM 574 O LEU A 60 -9.772 -4.033 -0.521 1.00 0.00 O ATOM 575 CB LEU A 60 -6.488 -4.265 -1.389 1.00 0.00 C ATOM 576 CG LEU A 60 -5.173 -4.516 -0.649 1.00 0.00 C ATOM 577 CD1 LEU A 60 -4.767 -5.989 -0.736 1.00 0.00 C ATOM 578 CD2 LEU A 60 -4.070 -3.587 -1.160 1.00 0.00 C ATOM 0 H LEU A 60 -7.422 -4.529 1.028 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.154 -2.321 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.977 -5.225 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.257 -3.849 -2.370 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.326 -4.286 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.829 -6.140 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.544 -6.608 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.639 -6.270 -1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.146 -3.786 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.911 -3.762 -2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.366 -2.550 -1.003 1.00 0.00 H new ATOM 590 N SER A 61 -9.137 -2.949 -2.401 1.00 0.00 N ATOM 591 CA SER A 61 -10.454 -3.007 -3.013 1.00 0.00 C ATOM 592 C SER A 61 -10.322 -3.228 -4.521 1.00 0.00 C ATOM 593 O SER A 61 -10.925 -2.505 -5.313 1.00 0.00 O ATOM 594 CB SER A 61 -11.249 -1.730 -2.731 1.00 0.00 C ATOM 595 OG SER A 61 -12.350 -1.580 -3.623 1.00 0.00 O ATOM 0 H SER A 61 -8.425 -2.484 -2.964 1.00 0.00 H new ATOM 0 HA SER A 61 -10.997 -3.845 -2.576 1.00 0.00 H new ATOM 0 HB2 SER A 61 -11.614 -1.749 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.591 -0.866 -2.819 1.00 0.00 H new ATOM 0 HG SER A 61 -12.029 -1.617 -4.548 1.00 0.00 H new ATOM 601 N ALA A 62 -9.529 -4.230 -4.873 1.00 0.00 N ATOM 602 CA ALA A 62 -9.310 -4.555 -6.272 1.00 0.00 C ATOM 603 C ALA A 62 -10.631 -4.431 -7.033 1.00 0.00 C ATOM 604 O ALA A 62 -11.643 -4.999 -6.623 1.00 0.00 O ATOM 605 CB ALA A 62 -8.702 -5.955 -6.382 1.00 0.00 C ATOM 0 H ALA A 62 -9.030 -4.827 -4.213 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.604 -3.857 -6.722 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.538 -6.199 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.751 -5.981 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.384 -6.683 -5.943 1.00 0.00 H new ATOM 611 N GLU A 63 -10.580 -3.686 -8.126 1.00 0.00 N ATOM 612 CA GLU A 63 -11.761 -3.480 -8.948 1.00 0.00 C ATOM 613 C GLU A 63 -11.522 -4.013 -10.363 1.00 0.00 C ATOM 614 O GLU A 63 -12.418 -3.971 -11.205 1.00 0.00 O ATOM 615 CB GLU A 63 -12.158 -2.003 -8.978 1.00 0.00 C ATOM 616 CG GLU A 63 -11.167 -1.185 -9.809 1.00 0.00 C ATOM 617 CD GLU A 63 -11.878 -0.458 -10.952 1.00 0.00 C ATOM 618 OE1 GLU A 63 -13.064 -0.116 -10.756 1.00 0.00 O ATOM 619 OE2 GLU A 63 -11.219 -0.261 -11.996 1.00 0.00 O ATOM 0 H GLU A 63 -9.739 -3.217 -8.463 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.589 -4.035 -8.506 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.160 -1.900 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.195 -1.612 -7.961 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.663 -0.460 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.398 -1.842 -10.214 1.00 0.00 H new ATOM 626 N SER A 64 -10.310 -4.501 -10.580 1.00 0.00 N ATOM 627 CA SER A 64 -9.942 -5.041 -11.878 1.00 0.00 C ATOM 628 C SER A 64 -8.420 -5.044 -12.031 1.00 0.00 C ATOM 629 O SER A 64 -7.757 -4.064 -11.697 1.00 0.00 O ATOM 630 CB SER A 64 -10.587 -4.240 -13.010 1.00 0.00 C ATOM 631 OG SER A 64 -11.757 -4.878 -13.516 1.00 0.00 O ATOM 0 H SER A 64 -9.570 -4.534 -9.879 1.00 0.00 H new ATOM 0 HA SER A 64 -10.309 -6.066 -11.939 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.844 -3.244 -12.649 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.867 -4.110 -13.818 1.00 0.00 H new ATOM 0 HG SER A 64 -12.476 -4.816 -12.853 1.00 0.00 H new ATOM 637 N VAL A 65 -7.910 -6.158 -12.536 1.00 0.00 N ATOM 638 CA VAL A 65 -6.478 -6.302 -12.737 1.00 0.00 C ATOM 639 C VAL A 65 -5.925 -5.022 -13.365 1.00 0.00 C ATOM 640 O VAL A 65 -6.544 -4.446 -14.259 1.00 0.00 O ATOM 641 CB VAL A 65 -6.190 -7.551 -13.573 1.00 0.00 C ATOM 642 CG1 VAL A 65 -6.075 -8.791 -12.684 1.00 0.00 C ATOM 643 CG2 VAL A 65 -7.258 -7.747 -14.652 1.00 0.00 C ATOM 0 H VAL A 65 -8.463 -6.969 -12.812 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.970 -6.442 -11.783 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.232 -7.406 -14.072 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.870 -9.665 -13.303 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.263 -8.653 -11.971 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.010 -8.940 -12.144 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.030 -8.641 -15.232 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.235 -7.859 -14.181 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.271 -6.880 -15.313 1.00 0.00 H new ATOM 653 N GLY A 66 -4.765 -4.613 -12.873 1.00 0.00 N ATOM 654 CA GLY A 66 -4.121 -3.411 -13.375 1.00 0.00 C ATOM 655 C GLY A 66 -4.756 -2.156 -12.772 1.00 0.00 C ATOM 656 O GLY A 66 -4.301 -1.042 -13.028 1.00 0.00 O ATOM 0 H GLY A 66 -4.254 -5.093 -12.132 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.058 -3.436 -13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.202 -3.378 -14.461 1.00 0.00 H new ATOM 660 N GLU A 67 -5.797 -2.379 -11.983 1.00 0.00 N ATOM 661 CA GLU A 67 -6.499 -1.280 -11.342 1.00 0.00 C ATOM 662 C GLU A 67 -7.216 -1.771 -10.083 1.00 0.00 C ATOM 663 O GLU A 67 -8.271 -2.397 -10.169 1.00 0.00 O ATOM 664 CB GLU A 67 -7.482 -0.619 -12.310 1.00 0.00 C ATOM 665 CG GLU A 67 -7.337 0.904 -12.283 1.00 0.00 C ATOM 666 CD GLU A 67 -8.110 1.549 -13.435 1.00 0.00 C ATOM 667 OE1 GLU A 67 -7.827 1.168 -14.591 1.00 0.00 O ATOM 668 OE2 GLU A 67 -8.966 2.409 -13.133 1.00 0.00 O ATOM 0 H GLU A 67 -6.171 -3.304 -11.773 1.00 0.00 H new ATOM 0 HA GLU A 67 -5.767 -0.528 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.306 -0.987 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.502 -0.896 -12.044 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.704 1.291 -11.332 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.283 1.174 -12.351 1.00 0.00 H new ATOM 675 N VAL A 68 -6.614 -1.470 -8.942 1.00 0.00 N ATOM 676 CA VAL A 68 -7.181 -1.872 -7.666 1.00 0.00 C ATOM 677 C VAL A 68 -7.298 -0.648 -6.756 1.00 0.00 C ATOM 678 O VAL A 68 -6.693 0.389 -7.023 1.00 0.00 O ATOM 679 CB VAL A 68 -6.345 -2.997 -7.053 1.00 0.00 C ATOM 680 CG1 VAL A 68 -6.342 -4.233 -7.954 1.00 0.00 C ATOM 681 CG2 VAL A 68 -4.918 -2.524 -6.766 1.00 0.00 C ATOM 0 H VAL A 68 -5.738 -0.952 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.186 -2.271 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.804 -3.276 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.740 -5.017 -7.494 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.364 -4.590 -8.086 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.920 -3.974 -8.925 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.344 -3.342 -6.331 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.447 -2.205 -7.695 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.945 -1.688 -6.067 1.00 0.00 H new ATOM 691 N TYR A 69 -8.081 -0.810 -5.699 1.00 0.00 N ATOM 692 CA TYR A 69 -8.284 0.269 -4.747 1.00 0.00 C ATOM 693 C TYR A 69 -7.768 -0.118 -3.360 1.00 0.00 C ATOM 694 O TYR A 69 -7.442 -1.279 -3.117 1.00 0.00 O ATOM 695 CB TYR A 69 -9.797 0.485 -4.672 1.00 0.00 C ATOM 696 CG TYR A 69 -10.344 1.434 -5.741 1.00 0.00 C ATOM 697 CD1 TYR A 69 -10.178 2.797 -5.604 1.00 0.00 C ATOM 698 CD2 TYR A 69 -11.002 0.926 -6.843 1.00 0.00 C ATOM 699 CE1 TYR A 69 -10.693 3.690 -6.610 1.00 0.00 C ATOM 700 CE2 TYR A 69 -11.516 1.819 -7.849 1.00 0.00 C ATOM 701 CZ TYR A 69 -11.336 3.157 -7.683 1.00 0.00 C ATOM 702 OH TYR A 69 -11.822 4.000 -8.633 1.00 0.00 O ATOM 0 H TYR A 69 -8.582 -1.671 -5.481 1.00 0.00 H new ATOM 0 HA TYR A 69 -7.748 1.164 -5.062 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.296 -0.479 -4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.049 0.879 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.662 3.194 -4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -11.131 -0.141 -6.951 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.571 4.759 -6.514 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -12.033 1.435 -8.716 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.256 3.480 -9.341 1.00 0.00 H new ATOM 712 N ILE A 70 -7.709 0.876 -2.487 1.00 0.00 N ATOM 713 CA ILE A 70 -7.237 0.654 -1.130 1.00 0.00 C ATOM 714 C ILE A 70 -7.992 1.580 -0.174 1.00 0.00 C ATOM 715 O ILE A 70 -8.142 2.770 -0.446 1.00 0.00 O ATOM 716 CB ILE A 70 -5.716 0.806 -1.060 1.00 0.00 C ATOM 717 CG1 ILE A 70 -5.034 0.016 -2.179 1.00 0.00 C ATOM 718 CG2 ILE A 70 -5.189 0.415 0.322 1.00 0.00 C ATOM 719 CD1 ILE A 70 -3.512 0.055 -2.029 1.00 0.00 C ATOM 0 H ILE A 70 -7.980 1.838 -2.692 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.447 -0.369 -0.816 1.00 0.00 H new ATOM 0 HB ILE A 70 -5.470 1.857 -1.212 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.378 -1.018 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.318 0.430 -3.146 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -4.106 0.532 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.639 1.058 1.078 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.446 -0.624 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.052 -0.514 -2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.169 1.089 -2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.229 -0.382 -1.071 1.00 0.00 H new ATOM 731 N LYS A 71 -8.447 0.998 0.925 1.00 0.00 N ATOM 732 CA LYS A 71 -9.183 1.756 1.923 1.00 0.00 C ATOM 733 C LYS A 71 -8.748 1.308 3.320 1.00 0.00 C ATOM 734 O LYS A 71 -9.279 0.338 3.858 1.00 0.00 O ATOM 735 CB LYS A 71 -10.690 1.639 1.681 1.00 0.00 C ATOM 736 CG LYS A 71 -11.444 2.786 2.358 1.00 0.00 C ATOM 737 CD LYS A 71 -11.791 2.434 3.806 1.00 0.00 C ATOM 738 CE LYS A 71 -11.189 3.452 4.777 1.00 0.00 C ATOM 739 NZ LYS A 71 -11.639 4.820 4.437 1.00 0.00 N ATOM 0 H LYS A 71 -8.321 0.010 1.147 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.952 2.818 1.842 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.892 1.648 0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.051 0.685 2.065 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.835 3.690 2.335 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.357 3.003 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -12.874 2.406 3.928 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.418 1.437 4.041 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.484 3.209 5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.101 3.401 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.835 5.369 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.382 4.771 3.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.017 5.283 5.288 1.00 0.00 H new ATOM 753 N SER A 72 -7.787 2.038 3.868 1.00 0.00 N ATOM 754 CA SER A 72 -7.275 1.728 5.192 1.00 0.00 C ATOM 755 C SER A 72 -8.416 1.743 6.211 1.00 0.00 C ATOM 756 O SER A 72 -8.650 2.754 6.872 1.00 0.00 O ATOM 757 CB SER A 72 -6.182 2.716 5.605 1.00 0.00 C ATOM 758 OG SER A 72 -5.700 2.459 6.921 1.00 0.00 O ATOM 0 H SER A 72 -7.350 2.843 3.419 1.00 0.00 H new ATOM 0 HA SER A 72 -6.835 0.731 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.354 2.658 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.574 3.732 5.554 1.00 0.00 H new ATOM 0 HG SER A 72 -5.813 1.508 7.131 1.00 0.00 H new ATOM 764 N THR A 73 -9.097 0.610 6.306 1.00 0.00 N ATOM 765 CA THR A 73 -10.208 0.480 7.234 1.00 0.00 C ATOM 766 C THR A 73 -9.701 0.492 8.677 1.00 0.00 C ATOM 767 O THR A 73 -9.173 -0.507 9.162 1.00 0.00 O ATOM 768 CB THR A 73 -10.980 -0.790 6.871 1.00 0.00 C ATOM 769 OG1 THR A 73 -12.206 -0.667 7.587 1.00 0.00 O ATOM 770 CG2 THR A 73 -10.336 -2.052 7.450 1.00 0.00 C ATOM 0 H THR A 73 -8.901 -0.226 5.756 1.00 0.00 H new ATOM 0 HA THR A 73 -10.891 1.326 7.156 1.00 0.00 H new ATOM 0 HB THR A 73 -11.043 -0.879 5.786 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.769 -1.449 7.408 1.00 0.00 H new ATOM 0 HG21 THR A 73 -10.923 -2.924 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 73 -9.322 -2.153 7.063 1.00 0.00 H new ATOM 0 HG23 THR A 73 -10.304 -1.978 8.537 1.00 0.00 H new ATOM 778 N GLU A 74 -9.880 1.635 9.324 1.00 0.00 N ATOM 779 CA GLU A 74 -9.448 1.790 10.702 1.00 0.00 C ATOM 780 C GLU A 74 -9.411 3.272 11.083 1.00 0.00 C ATOM 781 O GLU A 74 -9.765 3.638 12.203 1.00 0.00 O ATOM 782 CB GLU A 74 -8.085 1.132 10.927 1.00 0.00 C ATOM 783 CG GLU A 74 -8.214 -0.104 11.820 1.00 0.00 C ATOM 784 CD GLU A 74 -9.018 0.213 13.083 1.00 0.00 C ATOM 785 OE1 GLU A 74 -9.139 1.418 13.391 1.00 0.00 O ATOM 786 OE2 GLU A 74 -9.494 -0.757 13.711 1.00 0.00 O ATOM 0 H GLU A 74 -10.318 2.462 8.919 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.168 1.287 11.347 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.651 0.849 9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.403 1.848 11.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.701 -0.907 11.267 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.222 -0.462 12.096 1.00 0.00 H new ATOM 793 N THR A 75 -8.980 4.084 10.129 1.00 0.00 N ATOM 794 CA THR A 75 -8.892 5.518 10.351 1.00 0.00 C ATOM 795 C THR A 75 -9.594 6.276 9.222 1.00 0.00 C ATOM 796 O THR A 75 -9.576 7.505 9.190 1.00 0.00 O ATOM 797 CB THR A 75 -7.414 5.883 10.500 1.00 0.00 C ATOM 798 OG1 THR A 75 -7.411 7.308 10.536 1.00 0.00 O ATOM 799 CG2 THR A 75 -6.597 5.540 9.254 1.00 0.00 C ATOM 0 H THR A 75 -8.688 3.777 9.201 1.00 0.00 H new ATOM 0 HA THR A 75 -9.408 5.809 11.266 1.00 0.00 H new ATOM 0 HB THR A 75 -6.997 5.362 11.362 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.979 7.655 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.556 5.820 9.413 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.660 4.469 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.992 6.087 8.398 1.00 0.00 H new ATOM 807 N GLY A 76 -10.197 5.510 8.324 1.00 0.00 N ATOM 808 CA GLY A 76 -10.904 6.094 7.197 1.00 0.00 C ATOM 809 C GLY A 76 -9.936 6.819 6.259 1.00 0.00 C ATOM 810 O GLY A 76 -9.868 8.047 6.261 1.00 0.00 O ATOM 0 H GLY A 76 -10.210 4.491 8.354 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.431 5.313 6.649 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.658 6.793 7.559 1.00 0.00 H new ATOM 814 N GLN A 77 -9.213 6.028 5.480 1.00 0.00 N ATOM 815 CA GLN A 77 -8.253 6.579 4.539 1.00 0.00 C ATOM 816 C GLN A 77 -8.137 5.677 3.309 1.00 0.00 C ATOM 817 O GLN A 77 -8.221 4.455 3.421 1.00 0.00 O ATOM 818 CB GLN A 77 -6.889 6.780 5.202 1.00 0.00 C ATOM 819 CG GLN A 77 -6.702 8.233 5.643 1.00 0.00 C ATOM 820 CD GLN A 77 -6.534 8.328 7.161 1.00 0.00 C ATOM 821 OE1 GLN A 77 -5.769 7.602 7.774 1.00 0.00 O ATOM 822 NE2 GLN A 77 -7.290 9.263 7.732 1.00 0.00 N ATOM 0 H GLN A 77 -9.273 5.010 5.481 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.611 7.557 4.216 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.799 6.120 6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.098 6.503 4.505 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -5.827 8.657 5.150 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.562 8.825 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.910 9.837 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -7.250 9.405 8.741 1.00 0.00 H new ATOM 831 N TYR A 78 -7.946 6.314 2.163 1.00 0.00 N ATOM 832 CA TYR A 78 -7.817 5.584 0.913 1.00 0.00 C ATOM 833 C TYR A 78 -6.399 5.703 0.352 1.00 0.00 C ATOM 834 O TYR A 78 -6.037 6.731 -0.217 1.00 0.00 O ATOM 835 CB TYR A 78 -8.795 6.242 -0.062 1.00 0.00 C ATOM 836 CG TYR A 78 -10.220 5.689 0.017 1.00 0.00 C ATOM 837 CD1 TYR A 78 -10.560 4.556 -0.693 1.00 0.00 C ATOM 838 CD2 TYR A 78 -11.164 6.324 0.798 1.00 0.00 C ATOM 839 CE1 TYR A 78 -11.901 4.035 -0.619 1.00 0.00 C ATOM 840 CE2 TYR A 78 -12.505 5.804 0.872 1.00 0.00 C ATOM 841 CZ TYR A 78 -12.807 4.685 0.160 1.00 0.00 C ATOM 842 OH TYR A 78 -14.073 4.193 0.230 1.00 0.00 O ATOM 0 H TYR A 78 -7.877 7.328 2.074 1.00 0.00 H new ATOM 0 HA TYR A 78 -8.026 4.525 1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.821 7.314 0.134 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -8.422 6.112 -1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -9.821 4.060 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -10.897 7.211 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.181 3.149 -1.169 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -13.254 6.291 1.479 1.00 0.00 H new ATOM 0 HH TYR A 78 -14.611 4.757 0.824 1.00 0.00 H new ATOM 852 N LEU A 79 -5.635 4.636 0.533 1.00 0.00 N ATOM 853 CA LEU A 79 -4.264 4.607 0.052 1.00 0.00 C ATOM 854 C LEU A 79 -4.208 5.214 -1.352 1.00 0.00 C ATOM 855 O LEU A 79 -5.085 4.961 -2.176 1.00 0.00 O ATOM 856 CB LEU A 79 -3.697 3.188 0.131 1.00 0.00 C ATOM 857 CG LEU A 79 -2.267 3.065 0.661 1.00 0.00 C ATOM 858 CD1 LEU A 79 -2.168 3.583 2.097 1.00 0.00 C ATOM 859 CD2 LEU A 79 -1.756 1.629 0.533 1.00 0.00 C ATOM 0 H LEU A 79 -5.939 3.785 1.006 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.624 5.217 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.351 2.592 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.733 2.748 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.620 3.692 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.141 3.484 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.462 4.632 2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.830 3.002 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.738 1.570 0.917 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.399 0.961 1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.766 1.331 -0.515 1.00 0.00 H new ATOM 871 N ALA A 80 -3.167 6.002 -1.580 1.00 0.00 N ATOM 872 CA ALA A 80 -2.985 6.646 -2.869 1.00 0.00 C ATOM 873 C ALA A 80 -1.528 7.091 -3.011 1.00 0.00 C ATOM 874 O ALA A 80 -0.703 6.810 -2.144 1.00 0.00 O ATOM 875 CB ALA A 80 -3.966 7.813 -3.000 1.00 0.00 C ATOM 0 H ALA A 80 -2.441 6.209 -0.894 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.197 5.949 -3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.829 8.296 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.987 7.440 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.781 8.535 -2.204 1.00 0.00 H new ATOM 881 N MET A 81 -1.257 7.777 -4.112 1.00 0.00 N ATOM 882 CA MET A 81 0.086 8.263 -4.379 1.00 0.00 C ATOM 883 C MET A 81 0.054 9.493 -5.288 1.00 0.00 C ATOM 884 O MET A 81 -0.326 9.398 -6.454 1.00 0.00 O ATOM 885 CB MET A 81 0.907 7.157 -5.045 1.00 0.00 C ATOM 886 CG MET A 81 2.120 6.784 -4.191 1.00 0.00 C ATOM 887 SD MET A 81 3.534 6.484 -5.238 1.00 0.00 S ATOM 888 CE MET A 81 4.442 5.339 -4.213 1.00 0.00 C ATOM 0 H MET A 81 -1.945 8.008 -4.829 1.00 0.00 H new ATOM 0 HA MET A 81 0.544 8.547 -3.431 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.282 6.277 -5.199 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.239 7.488 -6.029 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.341 7.587 -3.488 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.900 5.895 -3.600 1.00 0.00 H new ATOM 0 HE1 MET A 81 5.254 4.898 -4.791 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.854 5.868 -3.354 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.773 4.551 -3.867 1.00 0.00 H new ATOM 898 N ASP A 82 0.457 10.620 -4.719 1.00 0.00 N ATOM 899 CA ASP A 82 0.478 11.868 -5.464 1.00 0.00 C ATOM 900 C ASP A 82 1.689 11.878 -6.399 1.00 0.00 C ATOM 901 O ASP A 82 2.489 10.943 -6.395 1.00 0.00 O ATOM 902 CB ASP A 82 0.598 13.069 -4.523 1.00 0.00 C ATOM 903 CG ASP A 82 -0.555 13.229 -3.531 1.00 0.00 C ATOM 904 OD1 ASP A 82 -1.705 13.341 -4.009 1.00 0.00 O ATOM 905 OD2 ASP A 82 -0.261 13.237 -2.316 1.00 0.00 O ATOM 0 H ASP A 82 0.771 10.695 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.453 11.941 -6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.529 12.982 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 82 0.670 13.976 -5.123 1.00 0.00 H new ATOM 910 N THR A 83 1.787 12.945 -7.178 1.00 0.00 N ATOM 911 CA THR A 83 2.887 13.089 -8.116 1.00 0.00 C ATOM 912 C THR A 83 4.225 13.073 -7.375 1.00 0.00 C ATOM 913 O THR A 83 5.277 12.906 -7.991 1.00 0.00 O ATOM 914 CB THR A 83 2.655 14.367 -8.924 1.00 0.00 C ATOM 915 OG1 THR A 83 2.845 15.415 -7.978 1.00 0.00 O ATOM 916 CG2 THR A 83 1.199 14.524 -9.367 1.00 0.00 C ATOM 0 H THR A 83 1.122 13.719 -7.179 1.00 0.00 H new ATOM 0 HA THR A 83 2.926 12.250 -8.811 1.00 0.00 H new ATOM 0 HB THR A 83 3.302 14.364 -9.801 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.715 16.281 -8.418 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.089 15.447 -9.937 1.00 0.00 H new ATOM 0 HG22 THR A 83 0.915 13.677 -9.991 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.554 14.560 -8.489 1.00 0.00 H new ATOM 924 N ASP A 84 4.142 13.248 -6.065 1.00 0.00 N ATOM 925 CA ASP A 84 5.334 13.256 -5.234 1.00 0.00 C ATOM 926 C ASP A 84 5.695 11.819 -4.854 1.00 0.00 C ATOM 927 O ASP A 84 6.576 11.594 -4.026 1.00 0.00 O ATOM 928 CB ASP A 84 5.099 14.041 -3.942 1.00 0.00 C ATOM 929 CG ASP A 84 6.278 14.903 -3.485 1.00 0.00 C ATOM 930 OD1 ASP A 84 7.149 15.171 -4.340 1.00 0.00 O ATOM 931 OD2 ASP A 84 6.281 15.274 -2.291 1.00 0.00 O ATOM 0 H ASP A 84 3.268 13.385 -5.558 1.00 0.00 H new ATOM 0 HA ASP A 84 6.137 13.726 -5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.230 14.684 -4.079 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.853 13.337 -3.147 1.00 0.00 H new ATOM 936 N GLY A 85 4.996 10.882 -5.479 1.00 0.00 N ATOM 937 CA GLY A 85 5.232 9.473 -5.217 1.00 0.00 C ATOM 938 C GLY A 85 5.275 9.194 -3.713 1.00 0.00 C ATOM 939 O GLY A 85 5.922 8.245 -3.273 1.00 0.00 O ATOM 0 H GLY A 85 4.266 11.072 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.445 8.877 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.173 9.167 -5.674 1.00 0.00 H new ATOM 943 N LEU A 86 4.577 10.038 -2.968 1.00 0.00 N ATOM 944 CA LEU A 86 4.527 9.894 -1.523 1.00 0.00 C ATOM 945 C LEU A 86 3.166 9.324 -1.118 1.00 0.00 C ATOM 946 O LEU A 86 2.156 10.024 -1.172 1.00 0.00 O ATOM 947 CB LEU A 86 4.866 11.220 -0.840 1.00 0.00 C ATOM 948 CG LEU A 86 5.393 11.122 0.593 1.00 0.00 C ATOM 949 CD1 LEU A 86 5.637 12.512 1.184 1.00 0.00 C ATOM 950 CD2 LEU A 86 4.457 10.284 1.466 1.00 0.00 C ATOM 0 H LEU A 86 4.042 10.824 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 86 5.283 9.186 -1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.611 11.737 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.971 11.842 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 86 6.355 10.609 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.011 12.414 2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.372 13.042 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.702 13.073 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.855 10.231 2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.470 10.745 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.378 9.278 1.054 1.00 0.00 H new ATOM 962 N LEU A 87 3.183 8.060 -0.722 1.00 0.00 N ATOM 963 CA LEU A 87 1.963 7.389 -0.308 1.00 0.00 C ATOM 964 C LEU A 87 1.120 8.346 0.537 1.00 0.00 C ATOM 965 O LEU A 87 1.618 8.937 1.494 1.00 0.00 O ATOM 966 CB LEU A 87 2.289 6.071 0.398 1.00 0.00 C ATOM 967 CG LEU A 87 2.406 4.839 -0.502 1.00 0.00 C ATOM 968 CD1 LEU A 87 3.841 4.658 -1.000 1.00 0.00 C ATOM 969 CD2 LEU A 87 1.884 3.589 0.209 1.00 0.00 C ATOM 0 H LEU A 87 4.023 7.483 -0.679 1.00 0.00 H new ATOM 0 HA LEU A 87 1.364 7.119 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.229 6.193 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.517 5.880 1.143 1.00 0.00 H new ATOM 0 HG LEU A 87 1.778 4.996 -1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.896 3.775 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.142 5.537 -1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.509 4.532 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.979 2.728 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.465 3.416 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.836 3.731 0.472 1.00 0.00 H new ATOM 981 N TYR A 88 -0.141 8.470 0.152 1.00 0.00 N ATOM 982 CA TYR A 88 -1.058 9.346 0.862 1.00 0.00 C ATOM 983 C TYR A 88 -2.506 8.884 0.686 1.00 0.00 C ATOM 984 O TYR A 88 -2.779 7.970 -0.091 1.00 0.00 O ATOM 985 CB TYR A 88 -0.896 10.729 0.228 1.00 0.00 C ATOM 986 CG TYR A 88 -1.825 10.981 -0.962 1.00 0.00 C ATOM 987 CD1 TYR A 88 -1.621 10.310 -2.150 1.00 0.00 C ATOM 988 CD2 TYR A 88 -2.866 11.879 -0.846 1.00 0.00 C ATOM 989 CE1 TYR A 88 -2.496 10.547 -3.270 1.00 0.00 C ATOM 990 CE2 TYR A 88 -3.740 12.116 -1.965 1.00 0.00 C ATOM 991 CZ TYR A 88 -3.512 11.438 -3.122 1.00 0.00 C ATOM 992 OH TYR A 88 -4.338 11.662 -4.179 1.00 0.00 O ATOM 0 H TYR A 88 -0.550 7.978 -0.643 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.838 9.347 1.930 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.080 11.489 0.987 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.137 10.849 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.806 9.607 -2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.025 12.404 0.084 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.348 10.029 -4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.558 12.816 -1.888 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.963 12.370 -4.743 1.00 0.00 H new ATOM 1002 N GLY A 89 -3.395 9.536 1.420 1.00 0.00 N ATOM 1003 CA GLY A 89 -4.808 9.203 1.354 1.00 0.00 C ATOM 1004 C GLY A 89 -5.560 10.180 0.447 1.00 0.00 C ATOM 1005 O GLY A 89 -5.105 11.300 0.223 1.00 0.00 O ATOM 0 H GLY A 89 -3.165 10.293 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.929 8.187 0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.238 9.226 2.355 1.00 0.00 H new ATOM 1009 N SER A 90 -6.698 9.718 -0.050 1.00 0.00 N ATOM 1010 CA SER A 90 -7.517 10.537 -0.928 1.00 0.00 C ATOM 1011 C SER A 90 -8.998 10.220 -0.708 1.00 0.00 C ATOM 1012 O SER A 90 -9.439 9.098 -0.950 1.00 0.00 O ATOM 1013 CB SER A 90 -7.140 10.319 -2.395 1.00 0.00 C ATOM 1014 OG SER A 90 -7.734 11.293 -3.249 1.00 0.00 O ATOM 0 H SER A 90 -7.072 8.788 0.138 1.00 0.00 H new ATOM 0 HA SER A 90 -7.336 11.584 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.056 10.357 -2.500 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.455 9.323 -2.706 1.00 0.00 H new ATOM 0 HG SER A 90 -8.437 10.872 -3.786 1.00 0.00 H new ATOM 1020 N GLN A 91 -9.724 11.229 -0.250 1.00 0.00 N ATOM 1021 CA GLN A 91 -11.146 11.072 0.006 1.00 0.00 C ATOM 1022 C GLN A 91 -11.907 10.905 -1.311 1.00 0.00 C ATOM 1023 O GLN A 91 -13.111 10.652 -1.309 1.00 0.00 O ATOM 1024 CB GLN A 91 -11.692 12.254 0.809 1.00 0.00 C ATOM 1025 CG GLN A 91 -13.105 11.964 1.320 1.00 0.00 C ATOM 1026 CD GLN A 91 -13.475 12.901 2.472 1.00 0.00 C ATOM 1027 OE1 GLN A 91 -13.638 12.493 3.610 1.00 0.00 O ATOM 1028 NE2 GLN A 91 -13.597 14.176 2.114 1.00 0.00 N ATOM 0 H GLN A 91 -9.354 12.158 -0.050 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.291 10.172 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -11.032 12.462 1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -11.703 13.148 0.185 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.821 12.082 0.507 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -13.169 10.928 1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -13.447 14.450 1.143 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -13.841 14.880 2.810 1.00 0.00 H new ATOM 1037 N THR A 92 -11.173 11.054 -2.405 1.00 0.00 N ATOM 1038 CA THR A 92 -11.764 10.923 -3.726 1.00 0.00 C ATOM 1039 C THR A 92 -11.178 9.712 -4.454 1.00 0.00 C ATOM 1040 O THR A 92 -10.082 9.788 -5.009 1.00 0.00 O ATOM 1041 CB THR A 92 -11.552 12.242 -4.471 1.00 0.00 C ATOM 1042 OG1 THR A 92 -10.197 12.181 -4.907 1.00 0.00 O ATOM 1043 CG2 THR A 92 -11.589 13.455 -3.539 1.00 0.00 C ATOM 0 H THR A 92 -10.175 11.264 -2.403 1.00 0.00 H new ATOM 0 HA THR A 92 -12.836 10.737 -3.664 1.00 0.00 H new ATOM 0 HB THR A 92 -12.318 12.351 -5.239 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.088 11.434 -5.532 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.433 14.365 -4.119 1.00 0.00 H new ATOM 0 HG22 THR A 92 -12.558 13.503 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 92 -10.802 13.363 -2.791 1.00 0.00 H new ATOM 1051 N PRO A 93 -11.953 8.595 -4.429 1.00 0.00 N ATOM 1052 CA PRO A 93 -11.522 7.370 -5.080 1.00 0.00 C ATOM 1053 C PRO A 93 -11.666 7.477 -6.599 1.00 0.00 C ATOM 1054 O PRO A 93 -12.766 7.345 -7.133 1.00 0.00 O ATOM 1055 CB PRO A 93 -12.389 6.278 -4.476 1.00 0.00 C ATOM 1056 CG PRO A 93 -13.583 6.987 -3.857 1.00 0.00 C ATOM 1057 CD PRO A 93 -13.255 8.469 -3.781 1.00 0.00 C ATOM 0 HA PRO A 93 -10.466 7.156 -4.918 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.709 5.567 -5.238 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.838 5.713 -3.724 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -14.478 6.824 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.790 6.590 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.010 9.068 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.218 8.814 -2.748 1.00 0.00 H new ATOM 1065 N ASN A 94 -10.538 7.714 -7.253 1.00 0.00 N ATOM 1066 CA ASN A 94 -10.525 7.840 -8.701 1.00 0.00 C ATOM 1067 C ASN A 94 -9.117 7.543 -9.221 1.00 0.00 C ATOM 1068 O ASN A 94 -8.379 6.768 -8.616 1.00 0.00 O ATOM 1069 CB ASN A 94 -10.899 9.259 -9.134 1.00 0.00 C ATOM 1070 CG ASN A 94 -12.066 9.797 -8.302 1.00 0.00 C ATOM 1071 OD1 ASN A 94 -11.734 10.130 -7.058 1.00 0.00 O flip ATOM 1072 ND2 ASN A 94 -13.192 9.901 -8.759 1.00 0.00 N flip ATOM 0 H ASN A 94 -9.627 7.822 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.251 7.136 -9.107 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -10.036 9.916 -9.024 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.169 9.262 -10.190 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.378 9.627 -9.724 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.947 10.262 -8.177 1.00 0.00 H new ATOM 1079 N GLU A 95 -8.788 8.176 -10.338 1.00 0.00 N ATOM 1080 CA GLU A 95 -7.482 7.989 -10.946 1.00 0.00 C ATOM 1081 C GLU A 95 -6.387 8.552 -10.038 1.00 0.00 C ATOM 1082 O GLU A 95 -5.759 9.557 -10.366 1.00 0.00 O ATOM 1083 CB GLU A 95 -7.427 8.631 -12.334 1.00 0.00 C ATOM 1084 CG GLU A 95 -8.443 7.985 -13.278 1.00 0.00 C ATOM 1085 CD GLU A 95 -8.292 8.528 -14.701 1.00 0.00 C ATOM 1086 OE1 GLU A 95 -7.265 8.194 -15.330 1.00 0.00 O ATOM 1087 OE2 GLU A 95 -9.207 9.266 -15.126 1.00 0.00 O ATOM 0 H GLU A 95 -9.403 8.818 -10.837 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.310 6.920 -11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -7.629 9.699 -12.253 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.424 8.527 -12.747 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.306 6.904 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.453 8.177 -12.917 1.00 0.00 H new ATOM 1094 N GLU A 96 -6.192 7.879 -8.913 1.00 0.00 N ATOM 1095 CA GLU A 96 -5.184 8.299 -7.955 1.00 0.00 C ATOM 1096 C GLU A 96 -5.138 7.329 -6.773 1.00 0.00 C ATOM 1097 O GLU A 96 -4.081 6.791 -6.447 1.00 0.00 O ATOM 1098 CB GLU A 96 -5.443 9.731 -7.480 1.00 0.00 C ATOM 1099 CG GLU A 96 -4.274 10.249 -6.639 1.00 0.00 C ATOM 1100 CD GLU A 96 -4.135 11.767 -6.770 1.00 0.00 C ATOM 1101 OE1 GLU A 96 -4.994 12.358 -7.459 1.00 0.00 O ATOM 1102 OE2 GLU A 96 -3.174 12.302 -6.177 1.00 0.00 O ATOM 0 H GLU A 96 -6.715 7.046 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.212 8.285 -8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.593 10.382 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.361 9.763 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.428 9.983 -5.593 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.350 9.767 -6.958 1.00 0.00 H new ATOM 1109 N CYS A 97 -6.298 7.135 -6.162 1.00 0.00 N ATOM 1110 CA CYS A 97 -6.403 6.239 -5.024 1.00 0.00 C ATOM 1111 C CYS A 97 -6.175 4.808 -5.515 1.00 0.00 C ATOM 1112 O CYS A 97 -5.642 3.974 -4.784 1.00 0.00 O ATOM 1113 CB CYS A 97 -7.747 6.389 -4.308 1.00 0.00 C ATOM 1114 SG CYS A 97 -8.113 4.880 -3.339 1.00 0.00 S ATOM 0 H CYS A 97 -7.173 7.583 -6.434 1.00 0.00 H new ATOM 0 HA CYS A 97 -5.642 6.494 -4.287 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -7.722 7.257 -3.649 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -8.539 6.564 -5.036 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.060 4.534 -2.660 1.00 0.00 H new ATOM 1120 N LEU A 98 -6.590 4.567 -6.750 1.00 0.00 N ATOM 1121 CA LEU A 98 -6.437 3.252 -7.348 1.00 0.00 C ATOM 1122 C LEU A 98 -4.968 2.832 -7.278 1.00 0.00 C ATOM 1123 O LEU A 98 -4.132 3.569 -6.758 1.00 0.00 O ATOM 1124 CB LEU A 98 -7.014 3.237 -8.765 1.00 0.00 C ATOM 1125 CG LEU A 98 -8.421 2.653 -8.910 1.00 0.00 C ATOM 1126 CD1 LEU A 98 -9.166 3.302 -10.079 1.00 0.00 C ATOM 1127 CD2 LEU A 98 -8.371 1.129 -9.037 1.00 0.00 C ATOM 0 H LEU A 98 -7.032 5.261 -7.353 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.008 2.511 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.026 4.260 -9.142 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.339 2.669 -9.405 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.982 2.882 -8.004 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.163 2.869 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.249 4.375 -9.907 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -8.617 3.125 -11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.384 0.739 -9.139 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.787 0.856 -9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.907 0.705 -8.147 1.00 0.00 H new ATOM 1139 N PHE A 99 -4.697 1.649 -7.810 1.00 0.00 N ATOM 1140 CA PHE A 99 -3.343 1.122 -7.814 1.00 0.00 C ATOM 1141 C PHE A 99 -3.188 0.017 -8.861 1.00 0.00 C ATOM 1142 O PHE A 99 -3.911 -0.978 -8.831 1.00 0.00 O ATOM 1143 CB PHE A 99 -3.088 0.532 -6.425 1.00 0.00 C ATOM 1144 CG PHE A 99 -2.055 1.303 -5.602 1.00 0.00 C ATOM 1145 CD1 PHE A 99 -0.829 1.571 -6.126 1.00 0.00 C ATOM 1146 CD2 PHE A 99 -2.363 1.722 -4.345 1.00 0.00 C ATOM 1147 CE1 PHE A 99 0.129 2.286 -5.362 1.00 0.00 C ATOM 1148 CE2 PHE A 99 -1.404 2.437 -3.580 1.00 0.00 C ATOM 1149 CZ PHE A 99 -0.178 2.705 -4.105 1.00 0.00 C ATOM 0 H PHE A 99 -5.393 1.040 -8.241 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.636 1.916 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.029 0.505 -5.875 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.753 -0.499 -6.535 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.585 1.239 -7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.337 1.511 -3.929 1.00 0.00 H new ATOM 0 HE1 PHE A 99 1.103 2.498 -5.779 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.648 2.768 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.551 3.250 -3.524 1.00 0.00 H new ATOM 1159 N LEU A 100 -2.241 0.229 -9.762 1.00 0.00 N ATOM 1160 CA LEU A 100 -1.981 -0.737 -10.817 1.00 0.00 C ATOM 1161 C LEU A 100 -1.523 -2.056 -10.193 1.00 0.00 C ATOM 1162 O LEU A 100 -0.386 -2.171 -9.740 1.00 0.00 O ATOM 1163 CB LEU A 100 -0.995 -0.164 -11.837 1.00 0.00 C ATOM 1164 CG LEU A 100 -1.579 0.196 -13.205 1.00 0.00 C ATOM 1165 CD1 LEU A 100 -0.795 1.340 -13.851 1.00 0.00 C ATOM 1166 CD2 LEU A 100 -1.650 -1.034 -14.112 1.00 0.00 C ATOM 0 H LEU A 100 -1.644 1.056 -9.784 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.894 -0.948 -11.374 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.541 0.731 -11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.194 -0.888 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.600 0.547 -13.059 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.230 1.577 -14.822 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.840 2.220 -13.209 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.245 1.040 -13.983 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.069 -0.750 -15.078 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.648 -1.439 -14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.284 -1.791 -13.650 1.00 0.00 H new ATOM 1178 N GLU A 101 -2.433 -3.019 -10.189 1.00 0.00 N ATOM 1179 CA GLU A 101 -2.137 -4.327 -9.628 1.00 0.00 C ATOM 1180 C GLU A 101 -1.435 -5.203 -10.667 1.00 0.00 C ATOM 1181 O GLU A 101 -1.518 -4.939 -11.865 1.00 0.00 O ATOM 1182 CB GLU A 101 -3.409 -5.002 -9.109 1.00 0.00 C ATOM 1183 CG GLU A 101 -3.131 -5.776 -7.819 1.00 0.00 C ATOM 1184 CD GLU A 101 -3.548 -7.241 -7.958 1.00 0.00 C ATOM 1185 OE1 GLU A 101 -4.757 -7.506 -7.783 1.00 0.00 O ATOM 1186 OE2 GLU A 101 -2.649 -8.063 -8.237 1.00 0.00 O ATOM 0 H GLU A 101 -3.376 -2.920 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.465 -4.194 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -4.176 -4.249 -8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -3.800 -5.680 -9.867 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.070 -5.718 -7.577 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.672 -5.317 -6.992 1.00 0.00 H new ATOM 1193 N ARG A 102 -0.761 -6.230 -10.169 1.00 0.00 N ATOM 1194 CA ARG A 102 -0.045 -7.147 -11.039 1.00 0.00 C ATOM 1195 C ARG A 102 0.498 -8.329 -10.233 1.00 0.00 C ATOM 1196 O ARG A 102 1.679 -8.362 -9.892 1.00 0.00 O ATOM 1197 CB ARG A 102 1.116 -6.444 -11.745 1.00 0.00 C ATOM 1198 CG ARG A 102 1.656 -5.291 -10.897 1.00 0.00 C ATOM 1199 CD ARG A 102 3.170 -5.411 -10.708 1.00 0.00 C ATOM 1200 NE ARG A 102 3.845 -4.213 -11.255 1.00 0.00 N ATOM 1201 CZ ARG A 102 4.233 -4.087 -12.531 1.00 0.00 C ATOM 1202 NH1 ARG A 102 4.015 -5.083 -13.400 1.00 0.00 N ATOM 1203 NH2 ARG A 102 4.839 -2.963 -12.939 1.00 0.00 N ATOM 0 H ARG A 102 -0.696 -6.447 -9.174 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.748 -7.507 -11.791 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.914 -7.160 -11.942 1.00 0.00 H new ATOM 0 HB3 ARG A 102 0.783 -6.065 -12.711 1.00 0.00 H new ATOM 0 HG2 ARG A 102 1.420 -4.341 -11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 102 1.164 -5.288 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 102 3.405 -5.519 -9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 102 3.538 -6.306 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 102 4.026 -3.435 -10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 102 3.553 -5.938 -13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 102 4.311 -4.986 -14.371 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.005 -2.204 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 102 5.135 -2.867 -13.910 1.00 0.00 H new ATOM 1217 N LEU A 103 -0.391 -9.271 -9.953 1.00 0.00 N ATOM 1218 CA LEU A 103 -0.016 -10.451 -9.194 1.00 0.00 C ATOM 1219 C LEU A 103 1.465 -10.756 -9.431 1.00 0.00 C ATOM 1220 O LEU A 103 1.820 -11.394 -10.420 1.00 0.00 O ATOM 1221 CB LEU A 103 -0.945 -11.620 -9.527 1.00 0.00 C ATOM 1222 CG LEU A 103 -1.684 -12.248 -8.344 1.00 0.00 C ATOM 1223 CD1 LEU A 103 -2.222 -13.634 -8.706 1.00 0.00 C ATOM 1224 CD2 LEU A 103 -0.795 -12.286 -7.099 1.00 0.00 C ATOM 0 H LEU A 103 -1.370 -9.241 -10.238 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.138 -10.271 -8.126 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.684 -11.276 -10.250 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.358 -12.397 -10.017 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.543 -11.621 -8.107 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.743 -14.058 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.914 -13.548 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -1.393 -14.285 -8.985 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.345 -12.737 -6.273 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.097 -12.877 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.503 -11.271 -6.829 1.00 0.00 H new ATOM 1236 N GLU A 104 2.288 -10.285 -8.506 1.00 0.00 N ATOM 1237 CA GLU A 104 3.722 -10.499 -8.601 1.00 0.00 C ATOM 1238 C GLU A 104 4.039 -11.995 -8.572 1.00 0.00 C ATOM 1239 O GLU A 104 4.861 -12.475 -9.350 1.00 0.00 O ATOM 1240 CB GLU A 104 4.463 -9.760 -7.485 1.00 0.00 C ATOM 1241 CG GLU A 104 5.847 -10.367 -7.250 1.00 0.00 C ATOM 1242 CD GLU A 104 5.758 -11.602 -6.352 1.00 0.00 C ATOM 1243 OE1 GLU A 104 4.682 -11.786 -5.743 1.00 0.00 O ATOM 1244 OE2 GLU A 104 6.769 -12.335 -6.293 1.00 0.00 O ATOM 0 H GLU A 104 1.989 -9.756 -7.687 1.00 0.00 H new ATOM 0 HA GLU A 104 4.067 -10.093 -9.552 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.564 -8.707 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.881 -9.806 -6.565 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.296 -10.639 -8.205 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.500 -9.625 -6.791 1.00 0.00 H new ATOM 1251 N GLU A 105 3.369 -12.692 -7.665 1.00 0.00 N ATOM 1252 CA GLU A 105 3.569 -14.124 -7.524 1.00 0.00 C ATOM 1253 C GLU A 105 2.222 -14.849 -7.516 1.00 0.00 C ATOM 1254 O GLU A 105 1.587 -14.998 -8.559 1.00 0.00 O ATOM 1255 CB GLU A 105 4.371 -14.444 -6.261 1.00 0.00 C ATOM 1256 CG GLU A 105 4.476 -15.955 -6.046 1.00 0.00 C ATOM 1257 CD GLU A 105 5.934 -16.416 -6.097 1.00 0.00 C ATOM 1258 OE1 GLU A 105 6.703 -15.783 -6.851 1.00 0.00 O ATOM 1259 OE2 GLU A 105 6.246 -17.391 -5.380 1.00 0.00 O ATOM 0 H GLU A 105 2.687 -12.291 -7.021 1.00 0.00 H new ATOM 0 HA GLU A 105 4.145 -14.477 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.370 -14.014 -6.341 1.00 0.00 H new ATOM 0 HB3 GLU A 105 3.894 -13.982 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.041 -16.220 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.899 -16.476 -6.810 1.00 0.00 H new ATOM 1266 N ASN A 106 1.825 -15.281 -6.328 1.00 0.00 N ATOM 1267 CA ASN A 106 0.565 -15.987 -6.171 1.00 0.00 C ATOM 1268 C ASN A 106 -0.078 -15.585 -4.842 1.00 0.00 C ATOM 1269 O ASN A 106 -0.696 -16.411 -4.172 1.00 0.00 O ATOM 1270 CB ASN A 106 0.781 -17.502 -6.152 1.00 0.00 C ATOM 1271 CG ASN A 106 -0.381 -18.230 -6.830 1.00 0.00 C ATOM 1272 OD1 ASN A 106 -0.719 -17.983 -7.976 1.00 0.00 O ATOM 1273 ND2 ASN A 106 -0.972 -19.140 -6.061 1.00 0.00 N ATOM 0 H ASN A 106 2.354 -15.156 -5.465 1.00 0.00 H new ATOM 0 HA ASN A 106 -0.076 -15.724 -7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.714 -17.746 -6.660 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.879 -17.846 -5.122 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -1.758 -19.680 -6.422 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -0.639 -19.298 -5.110 1.00 0.00 H new ATOM 1280 N HIS A 107 0.088 -14.315 -4.502 1.00 0.00 N ATOM 1281 CA HIS A 107 -0.468 -13.793 -3.265 1.00 0.00 C ATOM 1282 C HIS A 107 -0.207 -12.288 -3.180 1.00 0.00 C ATOM 1283 O HIS A 107 -1.141 -11.489 -3.221 1.00 0.00 O ATOM 1284 CB HIS A 107 0.077 -14.559 -2.058 1.00 0.00 C ATOM 1285 CG HIS A 107 -0.753 -15.758 -1.666 1.00 0.00 C ATOM 1286 ND1 HIS A 107 -2.022 -16.117 -2.015 1.00 0.00 N flip ATOM 1287 CD2 HIS A 107 -0.287 -16.746 -0.816 1.00 0.00 C flip ATOM 1288 CE1 HIS A 107 -2.315 -17.262 -1.412 1.00 0.00 C flip ATOM 1289 NE2 HIS A 107 -1.241 -17.654 -0.668 1.00 0.00 N flip ATOM 0 H HIS A 107 0.599 -13.632 -5.061 1.00 0.00 H new ATOM 0 HA HIS A 107 -1.548 -13.940 -3.257 1.00 0.00 H new ATOM 0 HB2 HIS A 107 1.092 -14.889 -2.278 1.00 0.00 H new ATOM 0 HB3 HIS A 107 0.140 -13.880 -1.208 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.688 -16.772 -0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -3.250 -17.796 -1.496 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -1.182 -18.498 -0.098 1.00 0.00 H new ATOM 1297 N TYR A 108 1.068 -11.947 -3.064 1.00 0.00 N ATOM 1298 CA TYR A 108 1.464 -10.552 -2.973 1.00 0.00 C ATOM 1299 C TYR A 108 0.888 -9.741 -4.136 1.00 0.00 C ATOM 1300 O TYR A 108 0.960 -10.165 -5.288 1.00 0.00 O ATOM 1301 CB TYR A 108 2.991 -10.540 -3.066 1.00 0.00 C ATOM 1302 CG TYR A 108 3.680 -11.526 -2.120 1.00 0.00 C ATOM 1303 CD1 TYR A 108 3.502 -11.413 -0.756 1.00 0.00 C ATOM 1304 CD2 TYR A 108 4.478 -12.529 -2.631 1.00 0.00 C ATOM 1305 CE1 TYR A 108 4.150 -12.341 0.134 1.00 0.00 C ATOM 1306 CE2 TYR A 108 5.126 -13.457 -1.741 1.00 0.00 C ATOM 1307 CZ TYR A 108 4.930 -13.317 -0.402 1.00 0.00 C ATOM 1308 OH TYR A 108 5.542 -14.194 0.439 1.00 0.00 O ATOM 0 H TYR A 108 1.840 -12.613 -3.031 1.00 0.00 H new ATOM 0 HA TYR A 108 1.098 -10.109 -2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 108 3.284 -10.770 -4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 108 3.350 -9.534 -2.850 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.877 -10.628 -0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 108 4.617 -12.618 -3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 108 4.019 -12.263 1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 108 5.753 -14.246 -2.128 1.00 0.00 H new ATOM 0 HH TYR A 108 6.066 -14.837 -0.083 1.00 0.00 H new ATOM 1318 N ASN A 109 0.330 -8.590 -3.793 1.00 0.00 N ATOM 1319 CA ASN A 109 -0.259 -7.716 -4.794 1.00 0.00 C ATOM 1320 C ASN A 109 0.622 -6.476 -4.962 1.00 0.00 C ATOM 1321 O ASN A 109 0.304 -5.409 -4.439 1.00 0.00 O ATOM 1322 CB ASN A 109 -1.653 -7.252 -4.369 1.00 0.00 C ATOM 1323 CG ASN A 109 -2.693 -8.347 -4.612 1.00 0.00 C ATOM 1324 OD1 ASN A 109 -2.705 -8.815 -5.856 1.00 0.00 O flip ATOM 1325 ND2 ASN A 109 -3.436 -8.741 -3.727 1.00 0.00 N flip ATOM 0 H ASN A 109 0.273 -8.242 -2.836 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.335 -8.274 -5.727 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -1.644 -6.982 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -1.927 -6.355 -4.925 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -3.374 -8.338 -2.792 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -4.119 -9.473 -3.923 1.00 0.00 H new ATOM 1332 N THR A 110 1.710 -6.658 -5.695 1.00 0.00 N ATOM 1333 CA THR A 110 2.639 -5.567 -5.939 1.00 0.00 C ATOM 1334 C THR A 110 1.994 -4.509 -6.837 1.00 0.00 C ATOM 1335 O THR A 110 2.040 -4.616 -8.061 1.00 0.00 O ATOM 1336 CB THR A 110 3.922 -6.160 -6.525 1.00 0.00 C ATOM 1337 OG1 THR A 110 3.485 -6.843 -7.696 1.00 0.00 O ATOM 1338 CG2 THR A 110 4.510 -7.265 -5.645 1.00 0.00 C ATOM 0 H THR A 110 1.970 -7.544 -6.128 1.00 0.00 H new ATOM 0 HA THR A 110 2.895 -5.051 -5.013 1.00 0.00 H new ATOM 0 HB THR A 110 4.661 -5.370 -6.657 1.00 0.00 H new ATOM 0 HG1 THR A 110 2.626 -6.474 -7.988 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.419 -7.652 -6.106 1.00 0.00 H new ATOM 0 HG22 THR A 110 4.746 -6.860 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 110 3.784 -8.072 -5.540 1.00 0.00 H new ATOM 1346 N TYR A 111 1.408 -3.510 -6.193 1.00 0.00 N ATOM 1347 CA TYR A 111 0.754 -2.433 -6.918 1.00 0.00 C ATOM 1348 C TYR A 111 1.774 -1.398 -7.398 1.00 0.00 C ATOM 1349 O TYR A 111 2.977 -1.574 -7.212 1.00 0.00 O ATOM 1350 CB TYR A 111 -0.197 -1.770 -5.920 1.00 0.00 C ATOM 1351 CG TYR A 111 -0.968 -2.758 -5.044 1.00 0.00 C ATOM 1352 CD1 TYR A 111 -2.157 -3.296 -5.493 1.00 0.00 C ATOM 1353 CD2 TYR A 111 -0.476 -3.112 -3.804 1.00 0.00 C ATOM 1354 CE1 TYR A 111 -2.884 -4.227 -4.669 1.00 0.00 C ATOM 1355 CE2 TYR A 111 -1.203 -4.043 -2.980 1.00 0.00 C ATOM 1356 CZ TYR A 111 -2.371 -4.554 -3.453 1.00 0.00 C ATOM 1357 OH TYR A 111 -3.057 -5.433 -2.674 1.00 0.00 O ATOM 0 H TYR A 111 1.372 -3.424 -5.177 1.00 0.00 H new ATOM 0 HA TYR A 111 0.236 -2.819 -7.796 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.376 -1.101 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.910 -1.153 -6.468 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -2.543 -3.019 -6.463 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.454 -2.691 -3.452 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -3.815 -4.656 -5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -0.829 -4.329 -2.008 1.00 0.00 H new ATOM 0 HH TYR A 111 -2.527 -5.647 -1.878 1.00 0.00 H new ATOM 1367 N ILE A 112 1.255 -0.342 -8.007 1.00 0.00 N ATOM 1368 CA ILE A 112 2.105 0.721 -8.515 1.00 0.00 C ATOM 1369 C ILE A 112 1.254 1.965 -8.781 1.00 0.00 C ATOM 1370 O ILE A 112 0.210 1.882 -9.425 1.00 0.00 O ATOM 1371 CB ILE A 112 2.890 0.241 -9.738 1.00 0.00 C ATOM 1372 CG1 ILE A 112 4.362 0.011 -9.388 1.00 0.00 C ATOM 1373 CG2 ILE A 112 2.724 1.209 -10.911 1.00 0.00 C ATOM 1374 CD1 ILE A 112 5.086 -0.721 -10.520 1.00 0.00 C ATOM 0 H ILE A 112 0.257 -0.200 -8.160 1.00 0.00 H new ATOM 0 HA ILE A 112 2.853 0.998 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 112 2.480 -0.719 -10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.849 0.968 -9.199 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.435 -0.571 -8.469 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.292 0.844 -11.767 1.00 0.00 H new ATOM 0 HG22 ILE A 112 1.670 1.279 -11.178 1.00 0.00 H new ATOM 0 HG23 ILE A 112 3.092 2.194 -10.625 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.130 -0.872 -10.246 1.00 0.00 H new ATOM 0 HD12 ILE A 112 4.612 -1.688 -10.690 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.032 -0.125 -11.431 1.00 0.00 H new ATOM 1386 N SER A 113 1.733 3.090 -8.270 1.00 0.00 N ATOM 1387 CA SER A 113 1.030 4.350 -8.444 1.00 0.00 C ATOM 1388 C SER A 113 0.376 4.398 -9.826 1.00 0.00 C ATOM 1389 O SER A 113 1.044 4.671 -10.823 1.00 0.00 O ATOM 1390 CB SER A 113 1.977 5.538 -8.263 1.00 0.00 C ATOM 1391 OG SER A 113 1.269 6.766 -8.112 1.00 0.00 O ATOM 0 H SER A 113 2.599 3.155 -7.735 1.00 0.00 H new ATOM 0 HA SER A 113 0.255 4.418 -7.680 1.00 0.00 H new ATOM 0 HB2 SER A 113 2.605 5.371 -7.388 1.00 0.00 H new ATOM 0 HB3 SER A 113 2.642 5.606 -9.124 1.00 0.00 H new ATOM 0 HG SER A 113 1.202 7.214 -8.981 1.00 0.00 H new ATOM 1397 N LYS A 114 -0.921 4.129 -9.842 1.00 0.00 N ATOM 1398 CA LYS A 114 -1.672 4.138 -11.086 1.00 0.00 C ATOM 1399 C LYS A 114 -1.733 5.567 -11.629 1.00 0.00 C ATOM 1400 O LYS A 114 -1.861 5.771 -12.835 1.00 0.00 O ATOM 1401 CB LYS A 114 -3.047 3.497 -10.886 1.00 0.00 C ATOM 1402 CG LYS A 114 -3.415 2.607 -12.075 1.00 0.00 C ATOM 1403 CD LYS A 114 -4.613 3.177 -12.836 1.00 0.00 C ATOM 1404 CE LYS A 114 -4.986 2.284 -14.021 1.00 0.00 C ATOM 1405 NZ LYS A 114 -4.148 2.607 -15.197 1.00 0.00 N ATOM 0 H LYS A 114 -1.471 3.903 -9.013 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.169 3.531 -11.839 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.047 2.905 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.800 4.275 -10.762 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.561 2.520 -12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.648 1.602 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -5.465 3.269 -12.163 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -4.378 4.180 -13.192 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.855 1.236 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.039 2.419 -14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -4.317 1.907 -15.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.392 3.555 -15.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.145 2.587 -14.924 1.00 0.00 H new ATOM 1419 N LYS A 115 -1.638 6.519 -10.713 1.00 0.00 N ATOM 1420 CA LYS A 115 -1.680 7.923 -11.085 1.00 0.00 C ATOM 1421 C LYS A 115 -0.451 8.259 -11.932 1.00 0.00 C ATOM 1422 O LYS A 115 -0.415 9.294 -12.595 1.00 0.00 O ATOM 1423 CB LYS A 115 -1.829 8.802 -9.842 1.00 0.00 C ATOM 1424 CG LYS A 115 -2.640 10.062 -10.155 1.00 0.00 C ATOM 1425 CD LYS A 115 -1.825 11.324 -9.867 1.00 0.00 C ATOM 1426 CE LYS A 115 -1.277 11.930 -11.161 1.00 0.00 C ATOM 1427 NZ LYS A 115 -2.374 12.183 -12.121 1.00 0.00 N ATOM 0 H LYS A 115 -1.532 6.346 -9.713 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.557 8.128 -11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.320 8.237 -9.049 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.843 9.083 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.944 10.052 -11.202 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.552 10.070 -9.558 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -2.450 12.056 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.000 11.083 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.757 12.862 -10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.546 11.254 -11.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -2.137 13.007 -12.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.503 11.349 -12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.254 12.371 -11.600 1.00 0.00 H new ATOM 1441 N HIS A 116 0.525 7.364 -11.883 1.00 0.00 N ATOM 1442 CA HIS A 116 1.752 7.553 -12.637 1.00 0.00 C ATOM 1443 C HIS A 116 2.640 6.316 -12.491 1.00 0.00 C ATOM 1444 O HIS A 116 3.682 6.369 -11.840 1.00 0.00 O ATOM 1445 CB HIS A 116 2.457 8.843 -12.214 1.00 0.00 C ATOM 1446 CG HIS A 116 2.027 9.363 -10.863 1.00 0.00 C ATOM 1447 ND1 HIS A 116 1.989 8.567 -9.731 1.00 0.00 N ATOM 1448 CD2 HIS A 116 1.619 10.605 -10.474 1.00 0.00 C ATOM 1449 CE1 HIS A 116 1.574 9.308 -8.713 1.00 0.00 C ATOM 1450 NE2 HIS A 116 1.344 10.570 -9.176 1.00 0.00 N ATOM 0 H HIS A 116 0.491 6.506 -11.333 1.00 0.00 H new ATOM 0 HA HIS A 116 1.518 7.666 -13.696 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.533 8.669 -12.199 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.269 9.611 -12.964 1.00 0.00 H new ATOM 0 HD2 HIS A 116 1.534 11.471 -11.114 1.00 0.00 H new ATOM 0 HE1 HIS A 116 1.441 8.971 -7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 116 1.015 11.357 -8.617 1.00 0.00 H new ATOM 1458 N ALA A 117 2.195 5.231 -13.107 1.00 0.00 N ATOM 1459 CA ALA A 117 2.936 3.982 -13.053 1.00 0.00 C ATOM 1460 C ALA A 117 4.087 4.034 -14.059 1.00 0.00 C ATOM 1461 O ALA A 117 4.937 3.145 -14.083 1.00 0.00 O ATOM 1462 CB ALA A 117 1.985 2.812 -13.315 1.00 0.00 C ATOM 0 H ALA A 117 1.330 5.191 -13.646 1.00 0.00 H new ATOM 0 HA ALA A 117 3.369 3.835 -12.064 1.00 0.00 H new ATOM 0 HB1 ALA A 117 2.541 1.875 -13.275 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.202 2.803 -12.557 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.534 2.924 -14.301 1.00 0.00 H new ATOM 1468 N GLU A 118 4.079 5.085 -14.866 1.00 0.00 N ATOM 1469 CA GLU A 118 5.112 5.265 -15.872 1.00 0.00 C ATOM 1470 C GLU A 118 6.485 5.381 -15.207 1.00 0.00 C ATOM 1471 O GLU A 118 7.509 5.128 -15.841 1.00 0.00 O ATOM 1472 CB GLU A 118 4.820 6.486 -16.746 1.00 0.00 C ATOM 1473 CG GLU A 118 6.078 6.941 -17.490 1.00 0.00 C ATOM 1474 CD GLU A 118 5.715 7.765 -18.727 1.00 0.00 C ATOM 1475 OE1 GLU A 118 5.248 8.908 -18.530 1.00 0.00 O ATOM 1476 OE2 GLU A 118 5.911 7.234 -19.841 1.00 0.00 O ATOM 0 H GLU A 118 3.373 5.821 -14.844 1.00 0.00 H new ATOM 0 HA GLU A 118 5.117 4.389 -16.521 1.00 0.00 H new ATOM 0 HB2 GLU A 118 4.036 6.245 -17.464 1.00 0.00 H new ATOM 0 HB3 GLU A 118 4.445 7.300 -16.126 1.00 0.00 H new ATOM 0 HG2 GLU A 118 6.704 7.535 -16.824 1.00 0.00 H new ATOM 0 HG3 GLU A 118 6.664 6.071 -17.787 1.00 0.00 H new ATOM 1483 N LYS A 119 6.463 5.764 -13.939 1.00 0.00 N ATOM 1484 CA LYS A 119 7.693 5.917 -13.182 1.00 0.00 C ATOM 1485 C LYS A 119 7.906 4.680 -12.307 1.00 0.00 C ATOM 1486 O LYS A 119 8.883 4.602 -11.563 1.00 0.00 O ATOM 1487 CB LYS A 119 7.679 7.230 -12.397 1.00 0.00 C ATOM 1488 CG LYS A 119 8.838 8.135 -12.821 1.00 0.00 C ATOM 1489 CD LYS A 119 8.771 9.485 -12.103 1.00 0.00 C ATOM 1490 CE LYS A 119 9.389 10.592 -12.958 1.00 0.00 C ATOM 1491 NZ LYS A 119 8.824 11.909 -12.588 1.00 0.00 N ATOM 0 H LYS A 119 5.612 5.973 -13.417 1.00 0.00 H new ATOM 0 HA LYS A 119 8.548 5.983 -13.855 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.732 7.745 -12.560 1.00 0.00 H new ATOM 0 HB3 LYS A 119 7.748 7.020 -11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.786 7.647 -12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.807 8.291 -13.899 1.00 0.00 H new ATOM 0 HD2 LYS A 119 7.733 9.730 -11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 119 9.296 9.421 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 119 10.471 10.603 -12.823 1.00 0.00 H new ATOM 0 HE3 LYS A 119 9.201 10.393 -14.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 9.593 12.602 -12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.164 12.224 -13.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 8.317 11.828 -11.684 1.00 0.00 H new ATOM 1505 N ASN A 120 6.976 3.744 -12.425 1.00 0.00 N ATOM 1506 CA ASN A 120 7.049 2.514 -11.655 1.00 0.00 C ATOM 1507 C ASN A 120 7.025 2.851 -10.162 1.00 0.00 C ATOM 1508 O ASN A 120 7.569 2.108 -9.346 1.00 0.00 O ATOM 1509 CB ASN A 120 8.346 1.758 -11.948 1.00 0.00 C ATOM 1510 CG ASN A 120 8.424 1.353 -13.421 1.00 0.00 C ATOM 1511 OD1 ASN A 120 9.395 1.612 -14.112 1.00 0.00 O ATOM 1512 ND2 ASN A 120 7.350 0.703 -13.861 1.00 0.00 N ATOM 0 H ASN A 120 6.167 3.813 -13.043 1.00 0.00 H new ATOM 0 HA ASN A 120 6.198 1.891 -11.931 1.00 0.00 H new ATOM 0 HB2 ASN A 120 9.201 2.384 -11.694 1.00 0.00 H new ATOM 0 HB3 ASN A 120 8.403 0.869 -11.319 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.306 0.389 -14.830 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.571 0.519 -13.229 1.00 0.00 H new ATOM 1519 N TRP A 121 6.388 3.970 -9.851 1.00 0.00 N ATOM 1520 CA TRP A 121 6.286 4.414 -8.471 1.00 0.00 C ATOM 1521 C TRP A 121 5.482 3.367 -7.697 1.00 0.00 C ATOM 1522 O TRP A 121 4.286 3.542 -7.469 1.00 0.00 O ATOM 1523 CB TRP A 121 5.678 5.815 -8.390 1.00 0.00 C ATOM 1524 CG TRP A 121 6.658 6.940 -8.730 1.00 0.00 C ATOM 1525 CD1 TRP A 121 7.994 6.875 -8.803 1.00 0.00 C ATOM 1526 CD2 TRP A 121 6.322 8.308 -9.042 1.00 0.00 C ATOM 1527 NE1 TRP A 121 8.542 8.097 -9.138 1.00 0.00 N ATOM 1528 CE2 TRP A 121 7.493 8.996 -9.288 1.00 0.00 C ATOM 1529 CE3 TRP A 121 5.070 8.944 -9.113 1.00 0.00 C ATOM 1530 CZ2 TRP A 121 7.528 10.355 -9.622 1.00 0.00 C ATOM 1531 CZ3 TRP A 121 5.122 10.302 -9.448 1.00 0.00 C ATOM 1532 CH2 TRP A 121 6.292 11.009 -9.699 1.00 0.00 C ATOM 0 H TRP A 121 5.937 4.583 -10.531 1.00 0.00 H new ATOM 0 HA TRP A 121 7.274 4.499 -8.018 1.00 0.00 H new ATOM 0 HB2 TRP A 121 4.827 5.870 -9.069 1.00 0.00 H new ATOM 0 HB3 TRP A 121 5.293 5.975 -7.383 1.00 0.00 H new ATOM 0 HD1 TRP A 121 8.570 5.979 -8.623 1.00 0.00 H new ATOM 0 HE1 TRP A 121 9.534 8.302 -9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 121 4.142 8.426 -8.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 8.458 10.871 -9.810 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 4.187 10.838 -9.516 1.00 0.00 H new ATOM 0 HH2 TRP A 121 6.248 12.058 -9.952 1.00 0.00 H new ATOM 1543 N PHE A 122 6.171 2.303 -7.314 1.00 0.00 N ATOM 1544 CA PHE A 122 5.536 1.228 -6.570 1.00 0.00 C ATOM 1545 C PHE A 122 5.006 1.731 -5.225 1.00 0.00 C ATOM 1546 O PHE A 122 5.188 2.897 -4.879 1.00 0.00 O ATOM 1547 CB PHE A 122 6.608 0.166 -6.317 1.00 0.00 C ATOM 1548 CG PHE A 122 6.613 -0.969 -7.343 1.00 0.00 C ATOM 1549 CD1 PHE A 122 5.791 -2.040 -7.177 1.00 0.00 C ATOM 1550 CD2 PHE A 122 7.440 -0.908 -8.420 1.00 0.00 C ATOM 1551 CE1 PHE A 122 5.796 -3.093 -8.129 1.00 0.00 C ATOM 1552 CE2 PHE A 122 7.445 -1.961 -9.373 1.00 0.00 C ATOM 1553 CZ PHE A 122 6.623 -3.032 -9.207 1.00 0.00 C ATOM 0 H PHE A 122 7.163 2.162 -7.505 1.00 0.00 H new ATOM 0 HA PHE A 122 4.694 0.830 -7.136 1.00 0.00 H new ATOM 0 HB2 PHE A 122 7.587 0.645 -6.316 1.00 0.00 H new ATOM 0 HB3 PHE A 122 6.459 -0.257 -5.323 1.00 0.00 H new ATOM 0 HD1 PHE A 122 5.135 -2.089 -6.321 1.00 0.00 H new ATOM 0 HD2 PHE A 122 8.094 -0.058 -8.551 1.00 0.00 H new ATOM 0 HE1 PHE A 122 5.143 -3.943 -7.997 1.00 0.00 H new ATOM 0 HE2 PHE A 122 8.101 -1.911 -10.229 1.00 0.00 H new ATOM 0 HZ PHE A 122 6.627 -3.834 -9.931 1.00 0.00 H new ATOM 1563 N VAL A 123 4.361 0.826 -4.504 1.00 0.00 N ATOM 1564 CA VAL A 123 3.803 1.163 -3.206 1.00 0.00 C ATOM 1565 C VAL A 123 4.549 0.387 -2.118 1.00 0.00 C ATOM 1566 O VAL A 123 4.033 0.205 -1.016 1.00 0.00 O ATOM 1567 CB VAL A 123 2.296 0.901 -3.200 1.00 0.00 C ATOM 1568 CG1 VAL A 123 1.988 -0.540 -3.613 1.00 0.00 C ATOM 1569 CG2 VAL A 123 1.689 1.220 -1.832 1.00 0.00 C ATOM 0 H VAL A 123 4.212 -0.140 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 123 3.936 2.225 -2.997 1.00 0.00 H new ATOM 0 HB VAL A 123 1.838 1.565 -3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.910 -0.700 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 123 2.370 -0.720 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 123 2.465 -1.228 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.617 1.025 -1.855 1.00 0.00 H new ATOM 0 HG22 VAL A 123 2.155 0.593 -1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.862 2.269 -1.593 1.00 0.00 H new ATOM 1579 N GLY A 124 5.751 -0.049 -2.466 1.00 0.00 N ATOM 1580 CA GLY A 124 6.573 -0.801 -1.533 1.00 0.00 C ATOM 1581 C GLY A 124 7.503 0.128 -0.750 1.00 0.00 C ATOM 1582 O GLY A 124 8.498 0.612 -1.287 1.00 0.00 O ATOM 0 H GLY A 124 6.175 0.104 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 124 5.934 -1.350 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 124 7.163 -1.539 -2.076 1.00 0.00 H new ATOM 1586 N LEU A 125 7.146 0.348 0.507 1.00 0.00 N ATOM 1587 CA LEU A 125 7.936 1.210 1.369 1.00 0.00 C ATOM 1588 C LEU A 125 9.356 0.651 1.479 1.00 0.00 C ATOM 1589 O LEU A 125 9.557 -0.447 1.998 1.00 0.00 O ATOM 1590 CB LEU A 125 7.243 1.397 2.720 1.00 0.00 C ATOM 1591 CG LEU A 125 5.726 1.596 2.675 1.00 0.00 C ATOM 1592 CD1 LEU A 125 4.996 0.379 3.247 1.00 0.00 C ATOM 1593 CD2 LEU A 125 5.322 2.892 3.380 1.00 0.00 C ATOM 0 H LEU A 125 6.320 -0.056 0.949 1.00 0.00 H new ATOM 0 HA LEU A 125 8.018 2.208 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.457 0.526 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.688 2.259 3.218 1.00 0.00 H new ATOM 0 HG LEU A 125 5.424 1.690 1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.920 0.546 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 125 5.250 -0.505 2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 125 5.298 0.228 4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 125 4.239 3.009 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 125 5.638 2.853 4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.800 3.739 2.887 1.00 0.00 H new ATOM 1605 N LYS A 126 10.305 1.430 0.982 1.00 0.00 N ATOM 1606 CA LYS A 126 11.700 1.027 1.018 1.00 0.00 C ATOM 1607 C LYS A 126 11.898 -0.012 2.124 1.00 0.00 C ATOM 1608 O LYS A 126 11.725 0.291 3.303 1.00 0.00 O ATOM 1609 CB LYS A 126 12.609 2.251 1.153 1.00 0.00 C ATOM 1610 CG LYS A 126 14.051 1.908 0.774 1.00 0.00 C ATOM 1611 CD LYS A 126 15.023 2.960 1.311 1.00 0.00 C ATOM 1612 CE LYS A 126 16.249 2.300 1.947 1.00 0.00 C ATOM 1613 NZ LYS A 126 17.494 2.880 1.396 1.00 0.00 N ATOM 0 H LYS A 126 10.135 2.339 0.552 1.00 0.00 H new ATOM 0 HA LYS A 126 11.983 0.551 0.079 1.00 0.00 H new ATOM 0 HB2 LYS A 126 12.242 3.053 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 126 12.577 2.621 2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 126 14.313 0.928 1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 126 14.141 1.844 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 126 15.339 3.616 0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 126 14.518 3.584 2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 126 16.224 2.438 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 126 16.228 1.226 1.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 18.316 2.421 1.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 17.523 2.726 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 17.519 3.901 1.594 1.00 0.00 H new ATOM 1627 N LYS A 127 12.259 -1.215 1.703 1.00 0.00 N ATOM 1628 CA LYS A 127 12.482 -2.300 2.643 1.00 0.00 C ATOM 1629 C LYS A 127 13.641 -1.934 3.573 1.00 0.00 C ATOM 1630 O LYS A 127 14.662 -2.619 3.598 1.00 0.00 O ATOM 1631 CB LYS A 127 12.686 -3.621 1.899 1.00 0.00 C ATOM 1632 CG LYS A 127 13.818 -3.505 0.876 1.00 0.00 C ATOM 1633 CD LYS A 127 15.148 -3.969 1.475 1.00 0.00 C ATOM 1634 CE LYS A 127 15.926 -4.832 0.481 1.00 0.00 C ATOM 1635 NZ LYS A 127 17.219 -5.255 1.063 1.00 0.00 N ATOM 0 H LYS A 127 12.403 -1.462 0.724 1.00 0.00 H new ATOM 0 HA LYS A 127 11.603 -2.446 3.270 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.915 -4.413 2.612 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.762 -3.905 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.582 -4.105 -0.003 1.00 0.00 H new ATOM 0 HG3 LYS A 127 13.906 -2.471 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 127 15.746 -3.102 1.756 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.962 -4.537 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 127 15.337 -5.709 0.213 1.00 0.00 H new ATOM 0 HE3 LYS A 127 16.100 -4.272 -0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 17.735 -5.840 0.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 17.786 -4.415 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 17.047 -5.808 1.927 1.00 0.00 H new ATOM 1649 N ASN A 128 13.444 -0.853 4.314 1.00 0.00 N ATOM 1650 CA ASN A 128 14.460 -0.387 5.243 1.00 0.00 C ATOM 1651 C ASN A 128 13.799 -0.023 6.574 1.00 0.00 C ATOM 1652 O ASN A 128 14.324 -0.343 7.639 1.00 0.00 O ATOM 1653 CB ASN A 128 15.164 0.861 4.708 1.00 0.00 C ATOM 1654 CG ASN A 128 16.538 1.037 5.358 1.00 0.00 C ATOM 1655 OD1 ASN A 128 17.550 1.028 4.495 1.00 0.00 O flip ATOM 1656 ND2 ASN A 128 16.670 1.171 6.563 1.00 0.00 N flip ATOM 0 H ASN A 128 12.596 -0.287 4.290 1.00 0.00 H new ATOM 0 HA ASN A 128 15.191 -1.186 5.373 1.00 0.00 H new ATOM 0 HB2 ASN A 128 15.277 0.784 3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 128 14.550 1.741 4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 128 15.850 1.169 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 128 17.601 1.285 6.965 1.00 0.00 H new ATOM 1663 N GLY A 129 12.657 0.641 6.469 1.00 0.00 N ATOM 1664 CA GLY A 129 11.920 1.052 7.652 1.00 0.00 C ATOM 1665 C GLY A 129 11.546 2.534 7.578 1.00 0.00 C ATOM 1666 O GLY A 129 11.831 3.296 8.500 1.00 0.00 O ATOM 0 H GLY A 129 12.224 0.904 5.584 1.00 0.00 H new ATOM 0 HA2 GLY A 129 11.017 0.450 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 129 12.522 0.869 8.542 1.00 0.00 H new ATOM 1670 N SER A 130 10.914 2.897 6.471 1.00 0.00 N ATOM 1671 CA SER A 130 10.498 4.274 6.265 1.00 0.00 C ATOM 1672 C SER A 130 10.032 4.469 4.821 1.00 0.00 C ATOM 1673 O SER A 130 10.682 4.003 3.886 1.00 0.00 O ATOM 1674 CB SER A 130 11.633 5.246 6.592 1.00 0.00 C ATOM 1675 OG SER A 130 11.597 5.671 7.952 1.00 0.00 O ATOM 0 H SER A 130 10.680 2.262 5.708 1.00 0.00 H new ATOM 0 HA SER A 130 9.668 4.486 6.940 1.00 0.00 H new ATOM 0 HB2 SER A 130 12.591 4.767 6.387 1.00 0.00 H new ATOM 0 HB3 SER A 130 11.565 6.116 5.938 1.00 0.00 H new ATOM 0 HG SER A 130 11.954 4.961 8.526 1.00 0.00 H new ATOM 1681 N CYS A 131 8.909 5.157 4.683 1.00 0.00 N ATOM 1682 CA CYS A 131 8.348 5.419 3.369 1.00 0.00 C ATOM 1683 C CYS A 131 9.469 5.926 2.460 1.00 0.00 C ATOM 1684 O CYS A 131 10.576 6.195 2.925 1.00 0.00 O ATOM 1685 CB CYS A 131 7.180 6.406 3.438 1.00 0.00 C ATOM 1686 SG CYS A 131 6.036 6.121 2.039 1.00 0.00 S ATOM 0 H CYS A 131 8.372 5.541 5.460 1.00 0.00 H new ATOM 0 HA CYS A 131 7.936 4.498 2.958 1.00 0.00 H new ATOM 0 HB2 CYS A 131 6.649 6.288 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 131 7.555 7.429 3.409 1.00 0.00 H new ATOM 0 HG CYS A 131 5.047 6.962 2.109 1.00 0.00 H new ATOM 1692 N LYS A 132 9.145 6.039 1.180 1.00 0.00 N ATOM 1693 CA LYS A 132 10.112 6.509 0.202 1.00 0.00 C ATOM 1694 C LYS A 132 9.377 7.228 -0.930 1.00 0.00 C ATOM 1695 O LYS A 132 8.240 6.886 -1.254 1.00 0.00 O ATOM 1696 CB LYS A 132 10.995 5.354 -0.274 1.00 0.00 C ATOM 1697 CG LYS A 132 12.462 5.782 -0.353 1.00 0.00 C ATOM 1698 CD LYS A 132 13.054 5.971 1.045 1.00 0.00 C ATOM 1699 CE LYS A 132 14.376 6.738 0.982 1.00 0.00 C ATOM 1700 NZ LYS A 132 14.594 7.499 2.233 1.00 0.00 N ATOM 0 H LYS A 132 8.227 5.813 0.798 1.00 0.00 H new ATOM 0 HA LYS A 132 10.790 7.234 0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 132 10.895 4.510 0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 132 10.658 5.014 -1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 132 13.035 5.030 -0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 132 12.543 6.712 -0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 132 12.346 6.511 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 132 13.216 4.998 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.200 6.042 0.825 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.368 7.420 0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.496 8.014 2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.817 8.177 2.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.623 6.842 3.039 1.00 0.00 H new ATOM 1714 N ARG A 133 10.055 8.212 -1.502 1.00 0.00 N ATOM 1715 CA ARG A 133 9.481 8.983 -2.592 1.00 0.00 C ATOM 1716 C ARG A 133 9.395 8.129 -3.859 1.00 0.00 C ATOM 1717 O ARG A 133 10.174 7.193 -4.034 1.00 0.00 O ATOM 1718 CB ARG A 133 10.315 10.232 -2.882 1.00 0.00 C ATOM 1719 CG ARG A 133 9.443 11.354 -3.451 1.00 0.00 C ATOM 1720 CD ARG A 133 8.796 12.168 -2.328 1.00 0.00 C ATOM 1721 NE ARG A 133 8.803 13.606 -2.677 1.00 0.00 N ATOM 1722 CZ ARG A 133 8.740 14.597 -1.778 1.00 0.00 C ATOM 1723 NH1 ARG A 133 8.665 14.313 -0.471 1.00 0.00 N ATOM 1724 NH2 ARG A 133 8.752 15.874 -2.186 1.00 0.00 N ATOM 0 H ARG A 133 10.997 8.493 -1.231 1.00 0.00 H new ATOM 0 HA ARG A 133 8.480 9.291 -2.289 1.00 0.00 H new ATOM 0 HB2 ARG A 133 10.799 10.571 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 133 11.108 9.988 -3.589 1.00 0.00 H new ATOM 0 HG2 ARG A 133 10.049 12.009 -4.077 1.00 0.00 H new ATOM 0 HG3 ARG A 133 8.669 10.929 -4.090 1.00 0.00 H new ATOM 0 HD2 ARG A 133 7.773 11.830 -2.166 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.336 12.009 -1.395 1.00 0.00 H new ATOM 0 HE ARG A 133 8.859 13.858 -3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 133 8.656 13.342 -0.160 1.00 0.00 H new ATOM 0 HH12 ARG A 133 8.617 15.068 0.213 1.00 0.00 H new ATOM 0 HH21 ARG A 133 8.809 16.091 -3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 133 8.704 16.629 -1.501 1.00 0.00 H new ATOM 1738 N GLY A 134 8.443 8.483 -4.709 1.00 0.00 N ATOM 1739 CA GLY A 134 8.245 7.761 -5.954 1.00 0.00 C ATOM 1740 C GLY A 134 9.583 7.310 -6.544 1.00 0.00 C ATOM 1741 O GLY A 134 9.792 6.121 -6.782 1.00 0.00 O ATOM 0 H GLY A 134 7.800 9.261 -4.560 1.00 0.00 H new ATOM 0 HA2 GLY A 134 7.610 6.893 -5.778 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.724 8.398 -6.669 1.00 0.00 H new ATOM 1745 N PRO A 135 10.478 8.309 -6.770 1.00 0.00 N ATOM 1746 CA PRO A 135 11.789 8.028 -7.328 1.00 0.00 C ATOM 1747 C PRO A 135 12.707 7.396 -6.279 1.00 0.00 C ATOM 1748 O PRO A 135 13.802 7.896 -6.025 1.00 0.00 O ATOM 1749 CB PRO A 135 12.299 9.368 -7.832 1.00 0.00 C ATOM 1750 CG PRO A 135 11.463 10.424 -7.126 1.00 0.00 C ATOM 1751 CD PRO A 135 10.265 9.728 -6.500 1.00 0.00 C ATOM 0 HA PRO A 135 11.753 7.300 -8.139 1.00 0.00 H new ATOM 0 HB2 PRO A 135 13.358 9.493 -7.606 1.00 0.00 H new ATOM 0 HB3 PRO A 135 12.193 9.445 -8.914 1.00 0.00 H new ATOM 0 HG2 PRO A 135 12.053 10.930 -6.362 1.00 0.00 H new ATOM 0 HG3 PRO A 135 11.135 11.187 -7.832 1.00 0.00 H new ATOM 0 HD2 PRO A 135 10.209 9.923 -5.429 1.00 0.00 H new ATOM 0 HD3 PRO A 135 9.330 10.078 -6.938 1.00 0.00 H new ATOM 1759 N ARG A 136 12.227 6.306 -5.699 1.00 0.00 N ATOM 1760 CA ARG A 136 12.990 5.600 -4.684 1.00 0.00 C ATOM 1761 C ARG A 136 12.167 4.447 -4.106 1.00 0.00 C ATOM 1762 O ARG A 136 12.222 4.181 -2.906 1.00 0.00 O ATOM 1763 CB ARG A 136 13.402 6.542 -3.550 1.00 0.00 C ATOM 1764 CG ARG A 136 14.813 7.089 -3.777 1.00 0.00 C ATOM 1765 CD ARG A 136 15.765 6.623 -2.674 1.00 0.00 C ATOM 1766 NE ARG A 136 16.713 7.707 -2.333 1.00 0.00 N ATOM 1767 CZ ARG A 136 17.912 7.507 -1.768 1.00 0.00 C ATOM 1768 NH1 ARG A 136 18.315 6.263 -1.476 1.00 0.00 N ATOM 1769 NH2 ARG A 136 18.706 8.550 -1.494 1.00 0.00 N ATOM 0 H ARG A 136 11.319 5.894 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 136 13.889 5.206 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 136 12.694 7.368 -3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 136 13.363 6.011 -2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 136 15.184 6.757 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 136 14.785 8.178 -3.802 1.00 0.00 H new ATOM 0 HD2 ARG A 136 15.197 6.334 -1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 136 16.313 5.740 -3.004 1.00 0.00 H new ATOM 0 HE ARG A 136 16.437 8.667 -2.541 1.00 0.00 H new ATOM 0 HH11 ARG A 136 17.710 5.469 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 136 19.227 6.110 -1.046 1.00 0.00 H new ATOM 0 HH21 ARG A 136 18.398 9.497 -1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 136 19.618 8.397 -1.064 1.00 0.00 H new ATOM 1783 N THR A 137 11.422 3.795 -4.986 1.00 0.00 N ATOM 1784 CA THR A 137 10.588 2.677 -4.578 1.00 0.00 C ATOM 1785 C THR A 137 10.190 1.837 -5.794 1.00 0.00 C ATOM 1786 O THR A 137 9.200 2.134 -6.460 1.00 0.00 O ATOM 1787 CB THR A 137 9.391 3.237 -3.808 1.00 0.00 C ATOM 1788 OG1 THR A 137 8.458 2.159 -3.785 1.00 0.00 O ATOM 1789 CG2 THR A 137 8.664 4.342 -4.577 1.00 0.00 C ATOM 0 H THR A 137 11.378 4.019 -5.980 1.00 0.00 H new ATOM 0 HA THR A 137 11.129 2.000 -3.918 1.00 0.00 H new ATOM 0 HB THR A 137 9.728 3.625 -2.847 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.536 1.677 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 137 7.823 4.704 -3.986 1.00 0.00 H new ATOM 0 HG22 THR A 137 9.353 5.164 -4.770 1.00 0.00 H new ATOM 0 HG23 THR A 137 8.298 3.946 -5.524 1.00 0.00 H new ATOM 1797 N HIS A 138 10.982 0.806 -6.046 1.00 0.00 N ATOM 1798 CA HIS A 138 10.725 -0.079 -7.169 1.00 0.00 C ATOM 1799 C HIS A 138 10.778 -1.534 -6.699 1.00 0.00 C ATOM 1800 O HIS A 138 10.725 -1.805 -5.501 1.00 0.00 O ATOM 1801 CB HIS A 138 11.692 0.208 -8.319 1.00 0.00 C ATOM 1802 CG HIS A 138 12.293 1.593 -8.285 1.00 0.00 C ATOM 1803 ND1 HIS A 138 13.136 2.020 -7.274 1.00 0.00 N ATOM 1804 CD2 HIS A 138 12.165 2.642 -9.148 1.00 0.00 C ATOM 1805 CE1 HIS A 138 13.493 3.271 -7.526 1.00 0.00 C ATOM 1806 NE2 HIS A 138 12.890 3.655 -8.688 1.00 0.00 N ATOM 0 H HIS A 138 11.803 0.563 -5.491 1.00 0.00 H new ATOM 0 HA HIS A 138 9.724 0.104 -7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 138 12.497 -0.527 -8.295 1.00 0.00 H new ATOM 0 HB3 HIS A 138 11.166 0.074 -9.264 1.00 0.00 H new ATOM 0 HD2 HIS A 138 11.574 2.648 -10.052 1.00 0.00 H new ATOM 0 HE1 HIS A 138 14.146 3.880 -6.918 1.00 0.00 H new ATOM 0 HE2 HIS A 138 12.981 4.569 -9.131 1.00 0.00 H new ATOM 1814 N TYR A 139 10.881 -2.432 -7.669 1.00 0.00 N ATOM 1815 CA TYR A 139 10.942 -3.852 -7.369 1.00 0.00 C ATOM 1816 C TYR A 139 12.105 -4.164 -6.425 1.00 0.00 C ATOM 1817 O TYR A 139 12.565 -3.291 -5.691 1.00 0.00 O ATOM 1818 CB TYR A 139 11.185 -4.555 -8.707 1.00 0.00 C ATOM 1819 CG TYR A 139 10.094 -5.557 -9.089 1.00 0.00 C ATOM 1820 CD1 TYR A 139 8.765 -5.240 -8.892 1.00 0.00 C ATOM 1821 CD2 TYR A 139 10.439 -6.779 -9.632 1.00 0.00 C ATOM 1822 CE1 TYR A 139 7.739 -6.184 -9.253 1.00 0.00 C ATOM 1823 CE2 TYR A 139 9.413 -7.722 -9.992 1.00 0.00 C ATOM 1824 CZ TYR A 139 8.113 -7.378 -9.785 1.00 0.00 C ATOM 1825 OH TYR A 139 7.144 -8.270 -10.125 1.00 0.00 O ATOM 0 H TYR A 139 10.924 -2.203 -8.662 1.00 0.00 H new ATOM 0 HA TYR A 139 10.023 -4.181 -6.883 1.00 0.00 H new ATOM 0 HB2 TYR A 139 11.265 -3.803 -9.492 1.00 0.00 H new ATOM 0 HB3 TYR A 139 12.142 -5.074 -8.665 1.00 0.00 H new ATOM 0 HD1 TYR A 139 8.495 -4.284 -8.467 1.00 0.00 H new ATOM 0 HD2 TYR A 139 11.479 -7.027 -9.787 1.00 0.00 H new ATOM 0 HE1 TYR A 139 6.695 -5.949 -9.104 1.00 0.00 H new ATOM 0 HE2 TYR A 139 9.669 -8.681 -10.417 1.00 0.00 H new ATOM 0 HH TYR A 139 7.558 -9.078 -10.494 1.00 0.00 H new ATOM 1891 N ILE A 144 7.023 -3.767 -2.040 1.00 0.00 N ATOM 1892 CA ILE A 144 5.981 -3.799 -3.053 1.00 0.00 C ATOM 1893 C ILE A 144 5.120 -5.047 -2.853 1.00 0.00 C ATOM 1894 O ILE A 144 3.913 -5.018 -3.090 1.00 0.00 O ATOM 1895 CB ILE A 144 6.590 -3.689 -4.452 1.00 0.00 C ATOM 1896 CG1 ILE A 144 7.292 -4.989 -4.848 1.00 0.00 C ATOM 1897 CG2 ILE A 144 7.524 -2.481 -4.551 1.00 0.00 C ATOM 1898 CD1 ILE A 144 7.758 -4.939 -6.305 1.00 0.00 C ATOM 0 HA ILE A 144 5.322 -2.937 -2.949 1.00 0.00 H new ATOM 0 HB ILE A 144 5.781 -3.529 -5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 144 8.148 -5.158 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 144 6.613 -5.830 -4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 144 7.943 -2.427 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 144 6.964 -1.570 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 144 8.331 -2.585 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 144 8.254 -5.875 -6.561 1.00 0.00 H new ATOM 0 HD12 ILE A 144 6.897 -4.794 -6.958 1.00 0.00 H new ATOM 0 HD13 ILE A 144 8.456 -4.112 -6.436 1.00 0.00 H new ATOM 1910 N LEU A 145 5.773 -6.115 -2.420 1.00 0.00 N ATOM 1911 CA LEU A 145 5.082 -7.372 -2.186 1.00 0.00 C ATOM 1912 C LEU A 145 4.329 -7.295 -0.856 1.00 0.00 C ATOM 1913 O LEU A 145 4.936 -7.378 0.211 1.00 0.00 O ATOM 1914 CB LEU A 145 6.061 -8.545 -2.271 1.00 0.00 C ATOM 1915 CG LEU A 145 6.467 -8.978 -3.682 1.00 0.00 C ATOM 1916 CD1 LEU A 145 7.499 -8.017 -4.274 1.00 0.00 C ATOM 1917 CD2 LEU A 145 6.961 -10.426 -3.689 1.00 0.00 C ATOM 0 H LEU A 145 6.774 -6.136 -2.225 1.00 0.00 H new ATOM 0 HA LEU A 145 4.339 -7.549 -2.964 1.00 0.00 H new ATOM 0 HB2 LEU A 145 6.963 -8.280 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 145 5.617 -9.401 -1.763 1.00 0.00 H new ATOM 0 HG LEU A 145 5.585 -8.936 -4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 145 7.771 -8.347 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.075 -7.014 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.388 -8.004 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 145 7.243 -10.709 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 145 7.826 -10.518 -3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 145 6.166 -11.083 -3.337 1.00 0.00 H new ATOM 1929 N PHE A 146 3.018 -7.136 -0.964 1.00 0.00 N ATOM 1930 CA PHE A 146 2.176 -7.047 0.217 1.00 0.00 C ATOM 1931 C PHE A 146 1.261 -8.268 0.331 1.00 0.00 C ATOM 1932 O PHE A 146 0.526 -8.588 -0.602 1.00 0.00 O ATOM 1933 CB PHE A 146 1.314 -5.793 0.058 1.00 0.00 C ATOM 1934 CG PHE A 146 2.081 -4.483 0.249 1.00 0.00 C ATOM 1935 CD1 PHE A 146 2.978 -4.361 1.265 1.00 0.00 C ATOM 1936 CD2 PHE A 146 1.867 -3.439 -0.597 1.00 0.00 C ATOM 1937 CE1 PHE A 146 3.689 -3.146 1.443 1.00 0.00 C ATOM 1938 CE2 PHE A 146 2.579 -2.224 -0.419 1.00 0.00 C ATOM 1939 CZ PHE A 146 3.475 -2.102 0.597 1.00 0.00 C ATOM 0 H PHE A 146 2.518 -7.067 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 146 2.795 -7.005 1.113 1.00 0.00 H new ATOM 0 HB2 PHE A 146 0.864 -5.797 -0.935 1.00 0.00 H new ATOM 0 HB3 PHE A 146 0.497 -5.832 0.778 1.00 0.00 H new ATOM 0 HD1 PHE A 146 3.149 -5.190 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 146 1.155 -3.535 -1.404 1.00 0.00 H new ATOM 0 HE1 PHE A 146 4.400 -3.050 2.250 1.00 0.00 H new ATOM 0 HE2 PHE A 146 2.409 -1.396 -1.091 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.016 -1.177 0.732 1.00 0.00 H new ATOM 1949 N LEU A 147 1.337 -8.918 1.484 1.00 0.00 N ATOM 1950 CA LEU A 147 0.525 -10.097 1.732 1.00 0.00 C ATOM 1951 C LEU A 147 -0.540 -9.766 2.780 1.00 0.00 C ATOM 1952 O LEU A 147 -0.260 -9.774 3.978 1.00 0.00 O ATOM 1953 CB LEU A 147 1.409 -11.287 2.109 1.00 0.00 C ATOM 1954 CG LEU A 147 0.768 -12.670 1.971 1.00 0.00 C ATOM 1955 CD1 LEU A 147 0.180 -13.137 3.303 1.00 0.00 C ATOM 1956 CD2 LEU A 147 -0.272 -12.682 0.849 1.00 0.00 C ATOM 0 H LEU A 147 1.948 -8.650 2.256 1.00 0.00 H new ATOM 0 HA LEU A 147 -0.001 -10.395 0.825 1.00 0.00 H new ATOM 0 HB2 LEU A 147 2.304 -11.260 1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 147 1.733 -11.160 3.142 1.00 0.00 H new ATOM 0 HG LEU A 147 1.546 -13.382 1.696 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -0.269 -14.122 3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 147 0.971 -13.192 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -0.582 -12.430 3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -0.712 -13.676 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -1.054 -11.955 1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 147 0.208 -12.424 -0.095 1.00 0.00 H new ATOM 1968 N PRO A 148 -1.770 -9.476 2.278 1.00 0.00 N ATOM 1969 CA PRO A 148 -2.878 -9.143 3.158 1.00 0.00 C ATOM 1970 C PRO A 148 -3.419 -10.392 3.854 1.00 0.00 C ATOM 1971 O PRO A 148 -3.636 -11.420 3.214 1.00 0.00 O ATOM 1972 CB PRO A 148 -3.904 -8.471 2.260 1.00 0.00 C ATOM 1973 CG PRO A 148 -3.538 -8.867 0.839 1.00 0.00 C ATOM 1974 CD PRO A 148 -2.137 -9.456 0.865 1.00 0.00 C ATOM 0 HA PRO A 148 -2.585 -8.480 3.972 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -4.914 -8.798 2.509 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.880 -7.388 2.382 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -4.251 -9.594 0.450 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -3.575 -8.000 0.180 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -2.121 -10.458 0.437 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -1.442 -8.850 0.284 1.00 0.00 H new ATOM 1982 N LEU A 149 -3.622 -10.263 5.157 1.00 0.00 N ATOM 1983 CA LEU A 149 -4.134 -11.369 5.948 1.00 0.00 C ATOM 1984 C LEU A 149 -5.408 -10.927 6.672 1.00 0.00 C ATOM 1985 O LEU A 149 -5.394 -10.708 7.882 1.00 0.00 O ATOM 1986 CB LEU A 149 -3.050 -11.906 6.885 1.00 0.00 C ATOM 1987 CG LEU A 149 -2.286 -10.857 7.696 1.00 0.00 C ATOM 1988 CD1 LEU A 149 -3.008 -10.547 9.009 1.00 0.00 C ATOM 1989 CD2 LEU A 149 -0.838 -11.292 7.928 1.00 0.00 C ATOM 0 H LEU A 149 -3.441 -9.409 5.685 1.00 0.00 H new ATOM 0 HA LEU A 149 -4.407 -12.204 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -3.512 -12.608 7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -2.332 -12.472 6.291 1.00 0.00 H new ATOM 0 HG LEU A 149 -2.257 -9.933 7.118 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -2.444 -9.799 9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -4.006 -10.164 8.794 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -3.089 -11.457 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -0.317 -10.529 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -0.824 -12.235 8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.339 -11.423 6.968 1.00 0.00 H new ATOM 2001 N PRO A 150 -6.506 -10.805 5.879 1.00 0.00 N ATOM 2002 CA PRO A 150 -7.785 -10.392 6.431 1.00 0.00 C ATOM 2003 C PRO A 150 -8.437 -11.532 7.217 1.00 0.00 C ATOM 2004 O PRO A 150 -7.925 -12.651 7.234 1.00 0.00 O ATOM 2005 CB PRO A 150 -8.608 -9.952 5.231 1.00 0.00 C ATOM 2006 CG PRO A 150 -7.934 -10.568 4.015 1.00 0.00 C ATOM 2007 CD PRO A 150 -6.559 -11.055 4.442 1.00 0.00 C ATOM 0 HA PRO A 150 -7.689 -9.580 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -9.640 -10.292 5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -8.636 -8.865 5.154 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -8.529 -11.395 3.627 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -7.847 -9.834 3.214 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -6.427 -12.114 4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.768 -10.518 3.917 1.00 0.00 H new ATOM 2015 N VAL A 151 -9.555 -11.209 7.849 1.00 0.00 N ATOM 2016 CA VAL A 151 -10.282 -12.192 8.635 1.00 0.00 C ATOM 2017 C VAL A 151 -11.592 -11.576 9.129 1.00 0.00 C ATOM 2018 O VAL A 151 -11.936 -11.699 10.303 1.00 0.00 O ATOM 2019 CB VAL A 151 -9.398 -12.709 9.772 1.00 0.00 C ATOM 2020 CG1 VAL A 151 -8.755 -14.047 9.401 1.00 0.00 C ATOM 2021 CG2 VAL A 151 -8.336 -11.676 10.154 1.00 0.00 C ATOM 0 H VAL A 151 -9.976 -10.280 7.833 1.00 0.00 H new ATOM 0 HA VAL A 151 -10.540 -13.056 8.023 1.00 0.00 H new ATOM 0 HB VAL A 151 -10.033 -12.873 10.643 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -8.132 -14.392 10.226 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -9.534 -14.783 9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -8.140 -13.920 8.510 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -7.721 -12.069 10.964 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -7.706 -11.465 9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -8.823 -10.757 10.481 1.00 0.00 H new