USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 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 77 SER OG : rot 81:sc= 0.857 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.543 K(o=1.4,f=-2.5) USER MOD Set 2.1: A 35 SER OG : rot 180:sc= 0.42 USER MOD Set 2.2: A 45 HIS : no HE2:sc=-0.00776 K(o=1.2,f=-0.12) USER MOD Set 2.3: A 61 GLN : amide:sc= 0.775 K(o=1.2,f=-2.9!) USER MOD Set 3.1: A 53 ASN : amide:sc= -3.52! C(o=-6.2!,f=-10!) USER MOD Set 3.2: A 56 THR OG1 : rot 38:sc= -2.72! USER MOD Set 4.1: A 44 CYS SG : rot 111:sc= -1.95 USER MOD Set 4.2: A 50 CYS SG : rot 16:sc= 0.576! USER MOD Set 4.3: A 60 CYS SG : rot 99:sc= -1.21! USER MOD Set 4.4: A 63 CYS SG : rot 143:sc= -4.63! USER MOD Set 5.1: A 40 MET CE :methyl -137:sc= -0.0268 (180deg=-3.1!) USER MOD Set 5.2: A 42 TYR OH : rot 15:sc= 0.433 USER MOD Set 5.3: A 66 GLN : amide:sc= -0.555! K(o=-0.15!,f=-2.3) USER MOD Set 6.1: A 37 GLN : amide:sc= -7.76! K(o=-20!,f=-7.5) USER MOD Set 6.2: A 38 LYS NZ :NH3+ 143:sc= -10.2! (180deg=-4.72!) USER MOD Set 6.3: A 75 LYS NZ :NH3+ -160:sc= -2.43! (180deg=-3.91!) USER MOD Set 7.1: A 8 CYS SG : rot -62:sc= -0.456! USER MOD Set 7.2: A 11 CYS SG : rot -27:sc= 0.272 USER MOD Set 7.3: A 25 CYS SG : rot 128:sc= 0.0656 USER MOD Set 7.4: A 28 CYS SG : rot 149:sc= 1.32 USER MOD Set 7.5: A 68 CYS SG : rot -112:sc= -0.82 USER MOD Set 8.1: A 18 TYR OH : rot -44:sc= -2.68! USER MOD Set 8.2: A 19 HIS : no HD1:sc= -2.27! K(o=-4.9!,f=-1.6) USER MOD Single : A 6 LYS NZ :NH3+ 163:sc= 1.15 (180deg=0.957) USER MOD Single : A 12 GLN : amide:sc= -0.557! X(o=-0.56!,f=-0.3) USER MOD Single : A 16 SER OG : rot -11:sc= 0.255 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0433 USER MOD Single : A 23 SER OG : rot 140:sc=-0.00462 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -2.43 K(o=-2.4,f=-4.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0.593 (180deg=0.41) USER MOD Single : A 49 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.6!) USER MOD Single : A 54 LYS NZ :NH3+ -165:sc=-0.00789 (180deg=-0.19) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 176:sc= -0.253 (180deg=-0.316) USER MOD Single : A 74 SER OG : rot -57:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 8.396 8.887 1.147 1.00 0.00 N ATOM 47 CA LYS A 6 7.113 8.169 0.967 1.00 0.00 C ATOM 48 C LYS A 6 6.585 7.951 -0.462 1.00 0.00 C ATOM 49 O LYS A 6 6.391 6.773 -0.739 1.00 0.00 O ATOM 50 CB LYS A 6 6.008 8.704 1.884 1.00 0.00 C ATOM 51 CG LYS A 6 6.382 9.923 2.721 1.00 0.00 C ATOM 52 CD LYS A 6 6.908 9.606 4.138 1.00 0.00 C ATOM 53 CE LYS A 6 8.377 10.003 4.310 1.00 0.00 C ATOM 54 NZ LYS A 6 9.254 8.995 3.696 1.00 0.00 N ATOM 0 HA LYS A 6 7.401 7.162 1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.143 8.957 1.272 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.699 7.904 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.142 10.492 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.506 10.566 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.302 10.133 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.796 8.540 4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.554 10.976 3.852 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.612 10.102 5.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.203 9.397 3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.316 8.164 4.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.864 8.710 2.775 1.00 0.00 H new ATOM 55 N PRO A 7 5.960 8.932 -1.151 1.00 0.00 N ATOM 56 CA PRO A 7 4.612 9.475 -0.894 1.00 0.00 C ATOM 57 C PRO A 7 3.500 8.487 -1.289 1.00 0.00 C ATOM 58 O PRO A 7 2.501 8.742 -1.943 1.00 0.00 O ATOM 59 CB PRO A 7 4.577 10.842 -1.570 1.00 0.00 C ATOM 60 CG PRO A 7 6.018 11.103 -2.017 1.00 0.00 C ATOM 61 CD PRO A 7 6.597 9.700 -2.209 1.00 0.00 C ATOM 0 HA PRO A 7 4.408 9.613 0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.894 10.844 -2.420 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.232 11.613 -0.882 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.052 11.680 -2.941 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.574 11.667 -1.268 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.363 9.299 -3.195 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.683 9.695 -2.113 1.00 0.00 H new ATOM 62 N CYS A 8 3.747 7.267 -0.843 1.00 0.00 N ATOM 63 CA CYS A 8 2.968 6.043 -1.127 1.00 0.00 C ATOM 64 C CYS A 8 1.817 5.559 -0.231 1.00 0.00 C ATOM 65 O CYS A 8 0.889 4.956 -0.777 1.00 0.00 O ATOM 66 CB CYS A 8 4.023 4.983 -1.285 1.00 0.00 C ATOM 67 SG CYS A 8 3.293 3.349 -1.675 1.00 0.00 S ATOM 0 H CYS A 8 4.543 7.078 -0.234 1.00 0.00 H new ATOM 0 HA CYS A 8 2.350 6.290 -1.990 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.712 5.272 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.606 4.911 -0.367 1.00 0.00 H new ATOM 0 HG CYS A 8 2.532 2.968 -0.692 1.00 0.00 H new ATOM 68 N PHE A 9 1.794 5.709 1.086 1.00 0.00 N ATOM 69 CA PHE A 9 2.761 6.448 1.897 1.00 0.00 C ATOM 70 C PHE A 9 3.989 5.635 2.433 1.00 0.00 C ATOM 71 O PHE A 9 4.824 6.114 3.190 1.00 0.00 O ATOM 72 CB PHE A 9 1.995 7.254 2.950 1.00 0.00 C ATOM 73 CG PHE A 9 2.810 8.116 3.898 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.988 9.451 3.467 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.946 7.771 5.257 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.246 10.459 4.409 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.171 8.783 6.215 1.00 0.00 C ATOM 78 CZ PHE A 9 3.277 10.122 5.776 1.00 0.00 C ATOM 0 H PHE A 9 1.056 5.294 1.655 1.00 0.00 H new ATOM 0 HA PHE A 9 3.286 7.139 1.237 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.287 7.900 2.431 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.409 6.556 3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.926 9.694 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.878 6.738 5.564 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.418 11.477 4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.260 8.539 7.263 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.385 10.908 6.509 1.00 0.00 H new ATOM 79 N VAL A 10 4.191 4.487 1.781 1.00 0.00 N ATOM 80 CA VAL A 10 5.058 3.383 2.241 1.00 0.00 C ATOM 81 C VAL A 10 6.060 2.737 1.261 1.00 0.00 C ATOM 82 O VAL A 10 7.102 2.243 1.685 1.00 0.00 O ATOM 83 CB VAL A 10 4.002 2.408 2.728 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.167 0.901 2.611 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.393 2.814 4.087 1.00 0.00 C ATOM 0 H VAL A 10 3.743 4.287 0.887 1.00 0.00 H new ATOM 0 HA VAL A 10 5.790 3.745 2.963 1.00 0.00 H new ATOM 0 HB VAL A 10 3.303 2.554 1.905 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.288 0.406 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.278 0.628 1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.053 0.588 3.163 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.644 2.080 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.180 2.856 4.840 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.924 3.794 3.997 1.00 0.00 H new ATOM 86 N CYS A 11 5.654 2.593 0.011 1.00 0.00 N ATOM 87 CA CYS A 11 6.332 1.809 -1.033 1.00 0.00 C ATOM 88 C CYS A 11 6.743 2.713 -2.205 1.00 0.00 C ATOM 89 O CYS A 11 5.945 3.065 -3.067 1.00 0.00 O ATOM 90 CB CYS A 11 5.380 0.677 -1.472 1.00 0.00 C ATOM 91 SG CYS A 11 5.182 0.321 -3.270 1.00 0.00 S ATOM 0 H CYS A 11 4.802 3.038 -0.330 1.00 0.00 H new ATOM 0 HA CYS A 11 7.252 1.369 -0.649 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.716 -0.241 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.392 0.904 -1.071 1.00 0.00 H new ATOM 0 HG CYS A 11 5.416 1.401 -3.955 1.00 0.00 H new ATOM 92 N GLN A 12 7.848 3.443 -2.135 1.00 0.00 N ATOM 93 CA GLN A 12 8.571 4.047 -0.996 1.00 0.00 C ATOM 94 C GLN A 12 9.164 5.367 -1.554 1.00 0.00 C ATOM 95 O GLN A 12 10.242 5.831 -1.186 1.00 0.00 O ATOM 96 CB GLN A 12 9.621 3.087 -0.406 1.00 0.00 C ATOM 97 CG GLN A 12 10.325 3.536 0.883 1.00 0.00 C ATOM 98 CD GLN A 12 9.721 4.732 1.662 1.00 0.00 C ATOM 99 OE1 GLN A 12 10.380 5.731 1.909 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.528 4.575 2.197 1.00 0.00 N ATOM 0 H GLN A 12 8.339 3.664 -3.001 1.00 0.00 H new ATOM 0 HA GLN A 12 7.918 4.252 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.135 2.131 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.383 2.910 -1.165 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.362 2.681 1.559 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.355 3.787 0.631 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.981 3.740 1.988 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.151 5.289 2.820 1.00 0.00 H new ATOM 124 N SER A 16 1.854 11.205 -6.268 1.00 0.00 N ATOM 125 CA SER A 16 1.200 12.536 -6.340 1.00 0.00 C ATOM 126 C SER A 16 -0.262 12.542 -6.832 1.00 0.00 C ATOM 127 O SER A 16 -0.786 11.523 -7.276 1.00 0.00 O ATOM 128 CB SER A 16 1.943 13.667 -7.071 1.00 0.00 C ATOM 129 OG SER A 16 1.998 13.413 -8.478 1.00 0.00 O ATOM 0 HA SER A 16 1.235 12.761 -5.274 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.440 14.616 -6.888 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.954 13.760 -6.674 1.00 0.00 H new ATOM 0 HG SER A 16 1.714 12.492 -8.656 1.00 0.00 H new ATOM 130 N GLY A 17 -0.930 13.592 -6.361 1.00 0.00 N ATOM 131 CA GLY A 17 -2.322 13.958 -6.681 1.00 0.00 C ATOM 132 C GLY A 17 -3.281 13.201 -5.746 1.00 0.00 C ATOM 133 O GLY A 17 -3.715 12.108 -6.085 1.00 0.00 O ATOM 0 H GLY A 17 -0.499 14.250 -5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.461 15.033 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.543 13.715 -7.720 1.00 0.00 H new ATOM 134 N TYR A 18 -3.620 13.819 -4.616 1.00 0.00 N ATOM 135 CA TYR A 18 -4.103 13.020 -3.479 1.00 0.00 C ATOM 136 C TYR A 18 -5.592 12.873 -3.126 1.00 0.00 C ATOM 137 O TYR A 18 -6.402 13.801 -3.195 1.00 0.00 O ATOM 138 CB TYR A 18 -3.141 12.993 -2.270 1.00 0.00 C ATOM 139 CG TYR A 18 -2.373 11.656 -2.307 1.00 0.00 C ATOM 140 CD1 TYR A 18 -1.600 11.407 -3.470 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.121 10.602 -1.733 1.00 0.00 C ATOM 142 CE1 TYR A 18 -1.821 10.250 -4.216 1.00 0.00 C ATOM 143 CE2 TYR A 18 -3.326 9.412 -2.444 1.00 0.00 C ATOM 144 CZ TYR A 18 -2.717 9.291 -3.714 1.00 0.00 C ATOM 145 OH TYR A 18 -2.946 8.174 -4.463 1.00 0.00 O ATOM 0 H TYR A 18 -3.575 14.826 -4.460 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.064 12.068 -4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.448 13.833 -2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.697 13.088 -1.337 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.842 12.112 -3.777 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.536 10.715 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.315 10.095 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.929 8.614 -2.036 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.066 8.429 -5.402 1.00 0.00 H new ATOM 146 N HIS A 19 -5.789 11.729 -2.490 1.00 0.00 N ATOM 147 CA HIS A 19 -7.031 10.980 -2.230 1.00 0.00 C ATOM 148 C HIS A 19 -7.060 10.631 -0.736 1.00 0.00 C ATOM 149 O HIS A 19 -6.045 10.743 -0.036 1.00 0.00 O ATOM 150 CB HIS A 19 -6.923 9.647 -2.989 1.00 0.00 C ATOM 151 CG HIS A 19 -6.782 9.823 -4.499 1.00 0.00 C ATOM 152 ND1 HIS A 19 -7.636 10.413 -5.324 1.00 0.00 N ATOM 153 CD2 HIS A 19 -5.662 9.583 -5.164 1.00 0.00 C ATOM 154 CE1 HIS A 19 -7.050 10.542 -6.503 1.00 0.00 C ATOM 155 NE2 HIS A 19 -5.825 10.047 -6.403 1.00 0.00 N ATOM 0 H HIS A 19 -4.991 11.235 -2.091 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.908 11.555 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.064 9.091 -2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.808 9.045 -2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -4.778 9.100 -4.774 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.491 10.974 -7.389 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.127 10.025 -7.146 1.00 0.00 H new ATOM 156 N TYR A 20 -8.219 10.174 -0.298 1.00 0.00 N ATOM 157 CA TYR A 20 -8.511 9.631 1.052 1.00 0.00 C ATOM 158 C TYR A 20 -7.354 9.370 2.046 1.00 0.00 C ATOM 159 O TYR A 20 -6.654 8.361 1.938 1.00 0.00 O ATOM 160 CB TYR A 20 -9.441 8.413 0.954 1.00 0.00 C ATOM 161 CG TYR A 20 -9.231 7.424 -0.213 1.00 0.00 C ATOM 162 CD1 TYR A 20 -8.010 6.735 -0.411 1.00 0.00 C ATOM 163 CD2 TYR A 20 -10.259 7.376 -1.181 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.807 6.011 -1.588 1.00 0.00 C ATOM 165 CE2 TYR A 20 -10.074 6.637 -2.358 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.847 5.962 -2.537 1.00 0.00 C ATOM 167 OH TYR A 20 -8.606 5.348 -3.728 1.00 0.00 O ATOM 0 H TYR A 20 -9.044 10.164 -0.898 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.996 10.484 1.526 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.354 7.852 1.885 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.466 8.781 0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.239 6.769 0.345 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.185 7.907 -1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.873 5.500 -1.767 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.850 6.585 -3.108 1.00 0.00 H new ATOM 0 HH TYR A 20 -9.411 5.387 -4.285 1.00 0.00 H new ATOM 168 N GLY A 21 -6.944 10.447 2.715 1.00 0.00 N ATOM 169 CA GLY A 21 -6.290 10.375 4.037 1.00 0.00 C ATOM 170 C GLY A 21 -4.750 10.332 4.066 1.00 0.00 C ATOM 171 O GLY A 21 -4.132 10.833 5.010 1.00 0.00 O ATOM 0 H GLY A 21 -7.052 11.398 2.362 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.614 11.237 4.620 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.661 9.487 4.548 1.00 0.00 H new ATOM 172 N VAL A 22 -4.160 9.806 3.005 1.00 0.00 N ATOM 173 CA VAL A 22 -2.711 9.534 2.890 1.00 0.00 C ATOM 174 C VAL A 22 -2.062 10.405 1.795 1.00 0.00 C ATOM 175 O VAL A 22 -2.688 11.270 1.185 1.00 0.00 O ATOM 176 CB VAL A 22 -2.592 8.006 2.650 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.138 7.615 1.282 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.265 7.334 2.491 1.00 0.00 C ATOM 0 H VAL A 22 -4.680 9.544 2.167 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.159 9.804 3.790 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.084 7.702 3.574 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.040 6.538 1.145 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.189 7.895 1.216 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.576 8.132 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.415 6.266 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.743 7.758 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.669 7.488 3.391 1.00 0.00 H new ATOM 179 N SER A 23 -0.782 10.132 1.623 1.00 0.00 N ATOM 180 CA SER A 23 -0.086 10.442 0.361 1.00 0.00 C ATOM 181 C SER A 23 0.105 9.066 -0.286 1.00 0.00 C ATOM 182 O SER A 23 0.628 8.150 0.347 1.00 0.00 O ATOM 183 CB SER A 23 1.335 10.963 0.539 1.00 0.00 C ATOM 184 OG SER A 23 1.686 11.645 -0.673 1.00 0.00 O ATOM 0 H SER A 23 -0.193 9.697 2.333 1.00 0.00 H new ATOM 0 HA SER A 23 -0.660 11.194 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.394 11.638 1.393 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.025 10.142 0.734 1.00 0.00 H new ATOM 0 HG SER A 23 2.188 12.459 -0.457 1.00 0.00 H new ATOM 185 N ALA A 24 -0.439 8.877 -1.477 1.00 0.00 N ATOM 186 CA ALA A 24 -0.245 7.591 -2.160 1.00 0.00 C ATOM 187 C ALA A 24 0.514 7.693 -3.481 1.00 0.00 C ATOM 188 O ALA A 24 0.583 8.700 -4.181 1.00 0.00 O ATOM 189 CB ALA A 24 -1.498 6.695 -2.224 1.00 0.00 C ATOM 0 H ALA A 24 -0.999 9.563 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 24 0.428 7.048 -1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.257 5.769 -2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.833 6.465 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.292 7.217 -2.759 1.00 0.00 H new ATOM 190 N CYS A 25 1.040 6.525 -3.787 1.00 0.00 N ATOM 191 CA CYS A 25 1.959 6.258 -4.923 1.00 0.00 C ATOM 192 C CYS A 25 1.220 6.216 -6.275 1.00 0.00 C ATOM 193 O CYS A 25 1.824 5.983 -7.306 1.00 0.00 O ATOM 194 CB CYS A 25 2.493 4.862 -4.607 1.00 0.00 C ATOM 195 SG CYS A 25 3.697 3.928 -5.626 1.00 0.00 S ATOM 0 H CYS A 25 0.843 5.687 -3.240 1.00 0.00 H new ATOM 0 HA CYS A 25 2.720 7.032 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.935 4.931 -3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.616 4.221 -4.521 1.00 0.00 H new ATOM 0 HG CYS A 25 4.682 3.529 -4.877 1.00 0.00 H new ATOM 196 N GLU A 26 -0.006 6.747 -6.207 1.00 0.00 N ATOM 197 CA GLU A 26 -1.077 6.869 -7.242 1.00 0.00 C ATOM 198 C GLU A 26 -1.440 5.545 -7.919 1.00 0.00 C ATOM 199 O GLU A 26 -2.562 5.079 -7.768 1.00 0.00 O ATOM 200 CB GLU A 26 -0.939 8.109 -8.144 1.00 0.00 C ATOM 201 CG GLU A 26 0.430 8.355 -8.808 1.00 0.00 C ATOM 202 CD GLU A 26 0.432 9.597 -9.693 1.00 0.00 C ATOM 203 OE1 GLU A 26 -0.190 9.525 -10.769 1.00 0.00 O ATOM 204 OE2 GLU A 26 1.140 10.557 -9.317 1.00 0.00 O ATOM 0 H GLU A 26 -0.323 7.154 -5.327 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.995 7.097 -6.701 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.688 8.036 -8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.187 8.988 -7.549 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.192 8.461 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.702 7.485 -9.406 1.00 0.00 H new ATOM 205 N GLY A 27 -0.383 4.826 -8.274 1.00 0.00 N ATOM 206 CA GLY A 27 -0.386 3.367 -8.481 1.00 0.00 C ATOM 207 C GLY A 27 -0.921 2.660 -7.225 1.00 0.00 C ATOM 208 O GLY A 27 -1.812 1.827 -7.357 1.00 0.00 O ATOM 0 H GLY A 27 0.533 5.246 -8.433 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.005 3.115 -9.342 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.624 3.020 -8.702 1.00 0.00 H new ATOM 209 N CYS A 28 -0.542 3.123 -6.021 1.00 0.00 N ATOM 210 CA CYS A 28 -1.097 2.555 -4.777 1.00 0.00 C ATOM 211 C CYS A 28 -2.578 2.772 -4.510 1.00 0.00 C ATOM 212 O CYS A 28 -3.222 1.818 -4.094 1.00 0.00 O ATOM 213 CB CYS A 28 -0.316 2.661 -3.485 1.00 0.00 C ATOM 214 SG CYS A 28 1.133 1.560 -3.571 1.00 0.00 S ATOM 0 H CYS A 28 0.133 3.875 -5.882 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.955 1.523 -5.099 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.003 3.690 -3.322 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.948 2.386 -2.640 1.00 0.00 H new ATOM 0 HG CYS A 28 2.105 2.066 -2.871 1.00 0.00 H new ATOM 215 N LYS A 29 -3.110 3.956 -4.781 1.00 0.00 N ATOM 216 CA LYS A 29 -4.581 4.158 -4.703 1.00 0.00 C ATOM 217 C LYS A 29 -5.323 3.223 -5.709 1.00 0.00 C ATOM 218 O LYS A 29 -6.310 2.580 -5.350 1.00 0.00 O ATOM 219 CB LYS A 29 -4.906 5.647 -4.834 1.00 0.00 C ATOM 220 CG LYS A 29 -5.209 6.199 -6.235 1.00 0.00 C ATOM 221 CD LYS A 29 -6.724 6.217 -6.481 1.00 0.00 C ATOM 222 CE LYS A 29 -7.055 6.753 -7.874 1.00 0.00 C ATOM 223 NZ LYS A 29 -8.507 6.975 -7.957 1.00 0.00 N ATOM 0 H LYS A 29 -2.576 4.782 -5.051 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.958 3.860 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.766 5.858 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.065 6.209 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.805 7.207 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.718 5.585 -6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.124 5.209 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.210 6.836 -5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.519 7.684 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.736 6.044 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.749 7.340 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.005 6.077 -7.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.795 7.665 -7.234 1.00 0.00 H new ATOM 224 N GLY A 30 -4.743 3.063 -6.898 1.00 0.00 N ATOM 225 CA GLY A 30 -5.176 2.090 -7.930 1.00 0.00 C ATOM 226 C GLY A 30 -5.161 0.642 -7.411 1.00 0.00 C ATOM 227 O GLY A 30 -6.202 -0.011 -7.360 1.00 0.00 O ATOM 0 H GLY A 30 -3.937 3.616 -7.189 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.182 2.343 -8.265 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.521 2.169 -8.798 1.00 0.00 H new ATOM 228 N PHE A 31 -4.004 0.243 -6.902 1.00 0.00 N ATOM 229 CA PHE A 31 -3.775 -1.014 -6.153 1.00 0.00 C ATOM 230 C PHE A 31 -4.762 -1.274 -4.995 1.00 0.00 C ATOM 231 O PHE A 31 -5.245 -2.390 -4.823 1.00 0.00 O ATOM 232 CB PHE A 31 -2.311 -0.929 -5.687 1.00 0.00 C ATOM 233 CG PHE A 31 -1.860 -1.746 -4.484 1.00 0.00 C ATOM 234 CD1 PHE A 31 -2.102 -1.204 -3.197 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.234 -3.010 -4.621 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.800 -1.935 -2.046 1.00 0.00 C ATOM 237 CE2 PHE A 31 -0.883 -3.729 -3.466 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.203 -3.205 -2.186 1.00 0.00 C ATOM 0 H PHE A 31 -3.155 0.800 -6.996 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.959 -1.876 -6.794 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.682 -1.215 -6.530 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.097 0.118 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.525 -0.214 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.029 -3.416 -5.601 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.020 -1.535 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.372 -4.676 -3.552 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.985 -3.789 -1.304 1.00 0.00 H new ATOM 239 N PHE A 32 -5.146 -0.177 -4.358 1.00 0.00 N ATOM 240 CA PHE A 32 -5.880 -0.195 -3.071 1.00 0.00 C ATOM 241 C PHE A 32 -7.293 -0.696 -3.380 1.00 0.00 C ATOM 242 O PHE A 32 -7.643 -1.804 -2.994 1.00 0.00 O ATOM 243 CB PHE A 32 -5.775 1.243 -2.559 1.00 0.00 C ATOM 244 CG PHE A 32 -5.471 1.345 -1.084 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.361 0.615 -0.596 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.362 2.003 -0.225 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.231 0.425 0.791 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.250 1.765 1.134 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.217 0.959 1.640 1.00 0.00 C ATOM 0 H PHE A 32 -4.963 0.763 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.500 -0.856 -2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.996 1.761 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.712 1.761 -2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.627 0.211 -1.277 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.113 2.675 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.391 -0.120 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.965 2.204 1.813 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.179 0.746 2.698 1.00 0.00 H new ATOM 250 N ARG A 33 -7.940 -0.022 -4.331 1.00 0.00 N ATOM 251 CA ARG A 33 -9.212 -0.506 -4.900 1.00 0.00 C ATOM 252 C ARG A 33 -9.121 -1.794 -5.695 1.00 0.00 C ATOM 253 O ARG A 33 -9.964 -2.673 -5.546 1.00 0.00 O ATOM 254 CB ARG A 33 -9.902 0.616 -5.686 1.00 0.00 C ATOM 255 CG ARG A 33 -9.167 1.196 -6.902 1.00 0.00 C ATOM 256 CD ARG A 33 -9.806 0.631 -8.156 1.00 0.00 C ATOM 257 NE ARG A 33 -8.823 -0.153 -8.927 1.00 0.00 N ATOM 258 CZ ARG A 33 -9.069 -0.884 -10.008 1.00 0.00 C ATOM 259 NH1 ARG A 33 -10.278 -0.981 -10.537 1.00 0.00 N ATOM 260 NH2 ARG A 33 -8.073 -1.507 -10.627 1.00 0.00 N ATOM 0 H ARG A 33 -7.611 0.859 -4.727 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.831 -0.782 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.868 0.242 -6.026 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -10.103 1.434 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.230 2.284 -6.901 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.109 0.938 -6.865 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.653 0.000 -7.887 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.195 1.443 -8.770 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.858 -0.132 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.061 -0.484 -10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.427 -1.553 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.120 -1.424 -10.272 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.261 -2.069 -11.457 1.00 0.00 H new ATOM 261 N ARG A 34 -8.019 -1.990 -6.395 1.00 0.00 N ATOM 262 CA ARG A 34 -7.817 -3.240 -7.141 1.00 0.00 C ATOM 263 C ARG A 34 -7.889 -4.488 -6.262 1.00 0.00 C ATOM 264 O ARG A 34 -8.897 -5.188 -6.344 1.00 0.00 O ATOM 265 CB ARG A 34 -6.506 -3.176 -7.959 1.00 0.00 C ATOM 266 CG ARG A 34 -6.142 -4.462 -8.706 1.00 0.00 C ATOM 267 CD ARG A 34 -4.965 -4.255 -9.659 1.00 0.00 C ATOM 268 NE ARG A 34 -5.469 -3.842 -10.989 1.00 0.00 N ATOM 269 CZ ARG A 34 -5.339 -2.645 -11.566 1.00 0.00 C ATOM 270 NH1 ARG A 34 -4.748 -1.618 -10.965 1.00 0.00 N ATOM 271 NH2 ARG A 34 -5.733 -2.479 -12.818 1.00 0.00 N ATOM 0 H ARG A 34 -7.255 -1.318 -6.469 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.650 -3.335 -7.837 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.587 -2.365 -8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.688 -2.922 -7.285 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.893 -5.242 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.007 -4.812 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.292 -3.495 -9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -4.389 -5.176 -9.747 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.971 -4.551 -11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.371 -1.726 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.672 -0.721 -11.445 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.133 -3.262 -13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.637 -1.568 -13.266 1.00 0.00 H new ATOM 272 N SER A 35 -7.096 -4.483 -5.204 1.00 0.00 N ATOM 273 CA SER A 35 -7.241 -5.541 -4.205 1.00 0.00 C ATOM 274 C SER A 35 -8.545 -5.442 -3.418 1.00 0.00 C ATOM 275 O SER A 35 -9.507 -6.097 -3.791 1.00 0.00 O ATOM 276 CB SER A 35 -6.032 -5.635 -3.309 1.00 0.00 C ATOM 277 OG SER A 35 -4.957 -6.242 -4.043 1.00 0.00 O ATOM 0 H SER A 35 -6.372 -3.791 -5.013 1.00 0.00 H new ATOM 0 HA SER A 35 -7.301 -6.479 -4.756 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.740 -4.643 -2.964 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.264 -6.225 -2.423 1.00 0.00 H new ATOM 0 HG SER A 35 -4.165 -6.307 -3.470 1.00 0.00 H new ATOM 278 N ILE A 36 -8.685 -4.391 -2.631 1.00 0.00 N ATOM 279 CA ILE A 36 -9.764 -4.366 -1.625 1.00 0.00 C ATOM 280 C ILE A 36 -11.173 -4.461 -2.215 1.00 0.00 C ATOM 281 O ILE A 36 -11.886 -5.422 -1.936 1.00 0.00 O ATOM 282 CB ILE A 36 -9.674 -3.159 -0.694 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.308 -3.179 -0.020 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.705 -3.064 0.403 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.935 -1.754 0.288 1.00 0.00 C ATOM 0 H ILE A 36 -8.092 -3.561 -2.655 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.598 -5.272 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.853 -2.301 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.340 -3.773 0.893 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.565 -3.637 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.529 -2.163 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.701 -3.021 -0.037 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.631 -3.939 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.959 -1.730 0.773 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.894 -1.180 -0.638 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.681 -1.318 0.952 1.00 0.00 H new ATOM 286 N GLN A 37 -11.414 -3.610 -3.208 1.00 0.00 N ATOM 287 CA GLN A 37 -12.768 -3.387 -3.715 1.00 0.00 C ATOM 288 C GLN A 37 -13.341 -4.646 -4.408 1.00 0.00 C ATOM 289 O GLN A 37 -14.545 -4.875 -4.393 1.00 0.00 O ATOM 290 CB GLN A 37 -12.673 -2.213 -4.676 1.00 0.00 C ATOM 291 CG GLN A 37 -14.036 -1.614 -4.989 1.00 0.00 C ATOM 292 CD GLN A 37 -13.922 -0.343 -5.825 1.00 0.00 C ATOM 293 OE1 GLN A 37 -14.454 0.704 -5.491 1.00 0.00 O ATOM 294 NE2 GLN A 37 -13.143 -0.336 -6.895 1.00 0.00 N ATOM 0 H GLN A 37 -10.692 -3.064 -3.678 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.456 -3.171 -2.898 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.031 -1.445 -4.246 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.201 -2.541 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.640 -2.347 -5.524 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.556 -1.390 -4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.685 -1.196 -7.198 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.001 0.529 -7.416 1.00 0.00 H new ATOM 295 N LYS A 38 -12.451 -5.302 -5.137 1.00 0.00 N ATOM 296 CA LYS A 38 -12.745 -6.454 -6.001 1.00 0.00 C ATOM 297 C LYS A 38 -11.893 -7.735 -5.852 1.00 0.00 C ATOM 298 O LYS A 38 -12.442 -8.827 -5.809 1.00 0.00 O ATOM 299 CB LYS A 38 -12.739 -5.889 -7.431 1.00 0.00 C ATOM 300 CG LYS A 38 -11.463 -5.146 -7.838 1.00 0.00 C ATOM 301 CD LYS A 38 -11.652 -4.321 -9.117 1.00 0.00 C ATOM 302 CE LYS A 38 -12.404 -3.018 -8.813 1.00 0.00 C ATOM 303 NZ LYS A 38 -11.543 -2.111 -8.045 1.00 0.00 N ATOM 0 H LYS A 38 -11.464 -5.043 -5.149 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.705 -6.864 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.899 -6.711 -8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.585 -5.210 -7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.154 -4.488 -7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.658 -5.866 -7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.681 -4.093 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.206 -4.903 -9.853 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.712 -2.540 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.312 -3.235 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.712 -1.131 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.760 -2.201 -7.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.546 -2.357 -8.209 1.00 0.00 H new ATOM 304 N ASN A 39 -10.571 -7.580 -5.839 1.00 0.00 N ATOM 305 CA ASN A 39 -9.627 -8.711 -5.953 1.00 0.00 C ATOM 306 C ASN A 39 -8.549 -8.888 -4.863 1.00 0.00 C ATOM 307 O ASN A 39 -7.361 -9.086 -5.121 1.00 0.00 O ATOM 308 CB ASN A 39 -9.077 -8.779 -7.394 1.00 0.00 C ATOM 309 CG ASN A 39 -8.261 -7.566 -7.862 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.196 -7.236 -7.354 1.00 0.00 O ATOM 311 ND2 ASN A 39 -8.719 -6.955 -8.930 1.00 0.00 N ATOM 0 H ASN A 39 -10.115 -6.672 -5.750 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.231 -9.592 -5.735 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.452 -9.668 -7.481 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.917 -8.912 -8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.186 -6.193 -9.349 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.608 -7.242 -9.340 1.00 0.00 H new ATOM 312 N MET A 40 -8.993 -8.856 -3.611 1.00 0.00 N ATOM 313 CA MET A 40 -8.171 -9.247 -2.451 1.00 0.00 C ATOM 314 C MET A 40 -8.617 -10.585 -1.886 1.00 0.00 C ATOM 315 O MET A 40 -9.786 -10.964 -1.897 1.00 0.00 O ATOM 316 CB MET A 40 -8.240 -8.172 -1.356 1.00 0.00 C ATOM 317 CG MET A 40 -9.638 -7.855 -0.877 1.00 0.00 C ATOM 318 SD MET A 40 -10.335 -8.920 0.449 1.00 0.00 S ATOM 319 CE MET A 40 -9.734 -8.018 1.867 1.00 0.00 C ATOM 0 H MET A 40 -9.936 -8.558 -3.362 1.00 0.00 H new ATOM 0 HA MET A 40 -7.141 -9.344 -2.794 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.643 -8.500 -0.505 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.782 -7.257 -1.733 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.648 -6.824 -0.522 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.308 -7.903 -1.735 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.354 -8.719 2.610 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.933 -7.347 1.558 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.548 -7.436 2.300 1.00 0.00 H new ATOM 320 N ILE A 41 -7.581 -11.311 -1.506 1.00 0.00 N ATOM 321 CA ILE A 41 -7.729 -12.732 -1.197 1.00 0.00 C ATOM 322 C ILE A 41 -7.262 -13.070 0.245 1.00 0.00 C ATOM 323 O ILE A 41 -8.117 -13.459 1.033 1.00 0.00 O ATOM 324 CB ILE A 41 -6.949 -13.572 -2.206 1.00 0.00 C ATOM 325 CG1 ILE A 41 -6.741 -13.002 -3.616 1.00 0.00 C ATOM 326 CG2 ILE A 41 -7.394 -15.058 -2.225 1.00 0.00 C ATOM 327 CD1 ILE A 41 -7.970 -12.904 -4.535 1.00 0.00 C ATOM 0 H ILE A 41 -6.633 -10.949 -1.403 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.791 -12.970 -1.263 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.941 -13.516 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.317 -12.003 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.994 -13.616 -4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.805 -15.605 -2.961 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.241 -15.496 -1.239 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.450 -15.118 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.673 -12.484 -5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.391 -13.898 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.719 -12.260 -4.074 1.00 0.00 H new ATOM 328 N TYR A 42 -6.008 -12.978 0.729 1.00 0.00 N ATOM 329 CA TYR A 42 -4.659 -12.567 0.233 1.00 0.00 C ATOM 330 C TYR A 42 -3.580 -12.736 1.292 1.00 0.00 C ATOM 331 O TYR A 42 -3.667 -12.169 2.381 1.00 0.00 O ATOM 332 CB TYR A 42 -4.546 -11.150 -0.372 1.00 0.00 C ATOM 333 CG TYR A 42 -5.059 -9.937 0.385 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.935 -9.991 1.499 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.670 -8.713 -0.177 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.416 -8.791 2.039 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.150 -7.514 0.353 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.027 -7.559 1.456 1.00 0.00 C ATOM 339 OH TYR A 42 -6.469 -6.401 2.012 1.00 0.00 O ATOM 0 H TYR A 42 -5.890 -13.255 1.704 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.503 -13.258 -0.595 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.491 -10.974 -0.581 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.062 -11.170 -1.332 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.226 -10.940 1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.997 -8.698 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.078 -8.805 2.892 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.854 -6.567 -0.075 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.824 -6.582 2.907 1.00 0.00 H new ATOM 340 N THR A 43 -2.651 -13.641 0.999 1.00 0.00 N ATOM 341 CA THR A 43 -1.501 -13.891 1.910 1.00 0.00 C ATOM 342 C THR A 43 -0.200 -14.272 1.183 1.00 0.00 C ATOM 343 O THR A 43 0.111 -15.437 0.976 1.00 0.00 O ATOM 344 CB THR A 43 -1.844 -14.888 3.025 1.00 0.00 C ATOM 345 OG1 THR A 43 -3.189 -14.707 3.469 1.00 0.00 O ATOM 346 CG2 THR A 43 -0.916 -14.575 4.206 1.00 0.00 C ATOM 0 H THR A 43 -2.656 -14.214 0.155 1.00 0.00 H new ATOM 0 HA THR A 43 -1.303 -12.929 2.382 1.00 0.00 H new ATOM 0 HB THR A 43 -1.726 -15.907 2.657 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.389 -15.353 4.179 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.125 -15.263 5.025 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.122 -14.689 3.893 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.084 -13.551 4.540 1.00 0.00 H new ATOM 347 N CYS A 44 0.553 -13.254 0.763 1.00 0.00 N ATOM 348 CA CYS A 44 0.180 -11.841 0.916 1.00 0.00 C ATOM 349 C CYS A 44 -0.586 -11.151 -0.240 1.00 0.00 C ATOM 350 O CYS A 44 -1.467 -10.352 0.016 1.00 0.00 O ATOM 351 CB CYS A 44 1.301 -10.992 1.563 1.00 0.00 C ATOM 352 SG CYS A 44 2.465 -10.090 0.489 1.00 0.00 S ATOM 0 H CYS A 44 1.452 -13.387 0.300 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.631 -11.895 1.642 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.824 -10.261 2.216 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.888 -11.654 2.200 1.00 0.00 H new ATOM 0 HG CYS A 44 2.256 -8.812 0.600 1.00 0.00 H new ATOM 353 N HIS A 45 -0.380 -11.392 -1.532 1.00 0.00 N ATOM 354 CA HIS A 45 0.731 -12.105 -2.173 1.00 0.00 C ATOM 355 C HIS A 45 1.707 -11.046 -2.674 1.00 0.00 C ATOM 356 O HIS A 45 1.297 -10.024 -3.213 1.00 0.00 O ATOM 357 CB HIS A 45 0.110 -12.925 -3.337 1.00 0.00 C ATOM 358 CG HIS A 45 -1.006 -13.862 -2.849 1.00 0.00 C ATOM 359 ND1 HIS A 45 -2.291 -13.749 -3.159 1.00 0.00 N ATOM 360 CD2 HIS A 45 -0.897 -14.865 -1.969 1.00 0.00 C ATOM 361 CE1 HIS A 45 -2.968 -14.688 -2.516 1.00 0.00 C ATOM 362 NE2 HIS A 45 -2.104 -15.377 -1.783 1.00 0.00 N ATOM 0 H HIS A 45 -1.050 -11.063 -2.227 1.00 0.00 H new ATOM 0 HA HIS A 45 1.267 -12.782 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -0.291 -12.243 -4.087 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.889 -13.512 -3.823 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -2.691 -13.054 -3.789 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.014 -15.198 -1.495 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.032 -14.861 -2.577 1.00 0.00 H new ATOM 363 N ARG A 46 2.966 -11.174 -2.254 1.00 0.00 N ATOM 364 CA ARG A 46 3.743 -12.426 -2.276 1.00 0.00 C ATOM 365 C ARG A 46 3.896 -13.042 -0.876 1.00 0.00 C ATOM 366 O ARG A 46 3.048 -13.823 -0.453 1.00 0.00 O ATOM 367 CB ARG A 46 5.147 -12.210 -2.895 1.00 0.00 C ATOM 368 CG ARG A 46 5.098 -11.332 -4.152 1.00 0.00 C ATOM 369 CD ARG A 46 6.467 -10.977 -4.743 1.00 0.00 C ATOM 370 NE ARG A 46 6.282 -9.698 -5.469 1.00 0.00 N ATOM 371 CZ ARG A 46 7.137 -9.108 -6.311 1.00 0.00 C ATOM 372 NH1 ARG A 46 8.309 -9.623 -6.628 1.00 0.00 N ATOM 373 NH2 ARG A 46 6.804 -7.935 -6.833 1.00 0.00 N ATOM 0 H ARG A 46 3.495 -10.388 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 46 3.178 -13.121 -2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.801 -11.747 -2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.584 -13.176 -3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.511 -11.845 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.571 -10.408 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.216 -10.875 -3.958 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.816 -11.760 -5.416 1.00 0.00 H new ATOM 0 HE ARG A 46 5.400 -9.211 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.601 -10.513 -6.225 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.924 -9.131 -7.276 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.913 -7.503 -6.590 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.439 -7.465 -7.478 1.00 0.00 H new ATOM 374 N ASP A 47 4.774 -12.455 -0.063 1.00 0.00 N ATOM 375 CA ASP A 47 5.027 -12.909 1.306 1.00 0.00 C ATOM 376 C ASP A 47 4.677 -11.790 2.318 1.00 0.00 C ATOM 377 O ASP A 47 4.979 -10.625 2.094 1.00 0.00 O ATOM 378 CB ASP A 47 6.465 -13.431 1.500 1.00 0.00 C ATOM 379 CG ASP A 47 7.611 -12.479 1.105 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.417 -11.239 1.187 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.652 -13.003 0.664 1.00 0.00 O ATOM 0 H ASP A 47 5.333 -11.647 -0.336 1.00 0.00 H new ATOM 0 HA ASP A 47 4.373 -13.760 1.497 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.591 -13.696 2.550 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.573 -14.350 0.924 1.00 0.00 H new ATOM 382 N LYS A 48 4.321 -12.217 3.512 1.00 0.00 N ATOM 383 CA LYS A 48 3.756 -11.338 4.550 1.00 0.00 C ATOM 384 C LYS A 48 4.811 -10.779 5.534 1.00 0.00 C ATOM 385 O LYS A 48 4.636 -10.692 6.750 1.00 0.00 O ATOM 386 CB LYS A 48 2.623 -12.069 5.293 1.00 0.00 C ATOM 387 CG LYS A 48 3.089 -13.402 5.890 1.00 0.00 C ATOM 388 CD LYS A 48 2.215 -13.893 7.056 1.00 0.00 C ATOM 389 CE LYS A 48 2.198 -12.959 8.277 1.00 0.00 C ATOM 390 NZ LYS A 48 3.558 -12.649 8.756 1.00 0.00 N ATOM 0 H LYS A 48 4.411 -13.190 3.805 1.00 0.00 H new ATOM 0 HA LYS A 48 3.350 -10.464 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.241 -11.430 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.797 -12.250 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.094 -14.160 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.117 -13.296 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.193 -14.022 6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.569 -14.875 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.685 -12.033 8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.628 -13.424 9.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.505 -12.238 9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.123 -13.522 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.007 -11.969 8.110 1.00 0.00 H new ATOM 391 N ASN A 49 5.972 -10.543 4.930 1.00 0.00 N ATOM 392 CA ASN A 49 7.033 -9.648 5.437 1.00 0.00 C ATOM 393 C ASN A 49 7.268 -8.462 4.499 1.00 0.00 C ATOM 394 O ASN A 49 7.149 -7.310 4.898 1.00 0.00 O ATOM 395 CB ASN A 49 8.341 -10.455 5.629 1.00 0.00 C ATOM 396 CG ASN A 49 8.845 -11.104 4.336 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.270 -12.058 3.832 1.00 0.00 O ATOM 398 ND2 ASN A 49 9.752 -10.438 3.645 1.00 0.00 N ATOM 0 H ASN A 49 6.218 -10.980 4.042 1.00 0.00 H new ATOM 0 HA ASN A 49 6.710 -9.243 6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.114 -9.794 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.175 -11.231 6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.973 -10.719 2.690 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.231 -9.642 4.066 1.00 0.00 H new ATOM 399 N CYS A 50 7.258 -8.792 3.202 1.00 0.00 N ATOM 400 CA CYS A 50 7.560 -7.911 2.040 1.00 0.00 C ATOM 401 C CYS A 50 8.738 -6.957 2.354 1.00 0.00 C ATOM 402 O CYS A 50 9.529 -7.288 3.234 1.00 0.00 O ATOM 403 CB CYS A 50 6.180 -7.359 1.698 1.00 0.00 C ATOM 404 SG CYS A 50 5.945 -6.491 0.110 1.00 0.00 S ATOM 0 H CYS A 50 7.025 -9.739 2.904 1.00 0.00 H new ATOM 0 HA CYS A 50 7.971 -8.369 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.476 -8.191 1.726 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.893 -6.672 2.494 1.00 0.00 H new ATOM 0 HG CYS A 50 6.947 -6.748 -0.677 1.00 0.00 H new ATOM 405 N VAL A 51 9.034 -5.978 1.487 1.00 0.00 N ATOM 406 CA VAL A 51 10.311 -5.239 1.685 1.00 0.00 C ATOM 407 C VAL A 51 10.287 -3.737 1.977 1.00 0.00 C ATOM 408 O VAL A 51 11.104 -3.230 2.750 1.00 0.00 O ATOM 409 CB VAL A 51 11.295 -5.506 0.514 1.00 0.00 C ATOM 410 CG1 VAL A 51 12.707 -5.129 0.924 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.425 -6.991 0.262 1.00 0.00 C ATOM 0 H VAL A 51 8.462 -5.686 0.695 1.00 0.00 H new ATOM 0 HA VAL A 51 10.638 -5.665 2.633 1.00 0.00 H new ATOM 0 HB VAL A 51 10.914 -4.946 -0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.390 -5.320 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.740 -4.071 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 51 13.007 -5.725 1.786 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.118 -7.161 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.801 -7.481 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.449 -7.403 0.006 1.00 0.00 H new ATOM 412 N ILE A 52 9.229 -3.116 1.522 1.00 0.00 N ATOM 413 CA ILE A 52 9.303 -1.809 0.821 1.00 0.00 C ATOM 414 C ILE A 52 9.912 -0.673 1.658 1.00 0.00 C ATOM 415 O ILE A 52 9.249 0.081 2.362 1.00 0.00 O ATOM 416 CB ILE A 52 8.151 -1.458 -0.098 1.00 0.00 C ATOM 417 CG1 ILE A 52 7.165 -2.593 -0.379 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.788 -1.002 -1.416 1.00 0.00 C ATOM 419 CD1 ILE A 52 7.743 -3.863 -1.014 1.00 0.00 C ATOM 0 H ILE A 52 8.281 -3.481 1.615 1.00 0.00 H new ATOM 0 HA ILE A 52 10.068 -1.977 0.063 1.00 0.00 H new ATOM 0 HB ILE A 52 7.551 -0.694 0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.687 -2.869 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.383 -2.210 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.005 -0.733 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.424 -0.136 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.389 -1.812 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.945 -4.591 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.193 -3.617 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.502 -4.286 -0.356 1.00 0.00 H new ATOM 420 N ASN A 53 11.233 -0.645 1.528 1.00 0.00 N ATOM 421 CA ASN A 53 12.134 0.436 1.976 1.00 0.00 C ATOM 422 C ASN A 53 12.772 0.976 0.672 1.00 0.00 C ATOM 423 O ASN A 53 12.070 1.098 -0.336 1.00 0.00 O ATOM 424 CB ASN A 53 13.134 -0.145 2.996 1.00 0.00 C ATOM 425 CG ASN A 53 14.114 -1.152 2.373 1.00 0.00 C ATOM 426 OD1 ASN A 53 15.304 -0.913 2.265 1.00 0.00 O ATOM 427 ND2 ASN A 53 13.587 -2.203 1.810 1.00 0.00 N ATOM 0 H ASN A 53 11.741 -1.411 1.086 1.00 0.00 H new ATOM 0 HA ASN A 53 11.647 1.259 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.699 0.671 3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.582 -0.633 3.799 1.00 0.00 H new ATOM 0 HD21 ASN A 53 14.173 -2.840 1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.589 -2.389 1.910 1.00 0.00 H new ATOM 428 N LYS A 54 14.103 1.116 0.616 1.00 0.00 N ATOM 429 CA LYS A 54 14.815 1.442 -0.625 1.00 0.00 C ATOM 430 C LYS A 54 15.788 0.405 -1.217 1.00 0.00 C ATOM 431 O LYS A 54 16.007 0.400 -2.434 1.00 0.00 O ATOM 432 CB LYS A 54 15.481 2.829 -0.526 1.00 0.00 C ATOM 433 CG LYS A 54 16.358 2.983 0.721 1.00 0.00 C ATOM 434 CD LYS A 54 16.841 4.420 0.899 1.00 0.00 C ATOM 435 CE LYS A 54 17.580 4.613 2.220 1.00 0.00 C ATOM 436 NZ LYS A 54 16.666 4.491 3.365 1.00 0.00 N ATOM 0 H LYS A 54 14.713 1.007 1.426 1.00 0.00 H new ATOM 0 HA LYS A 54 14.008 1.436 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.089 2.998 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.708 3.598 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.794 2.677 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 54 17.218 2.317 0.646 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.500 4.687 0.072 1.00 0.00 H new ATOM 0 HD3 LYS A 54 15.988 5.097 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 54 18.375 3.873 2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 54 18.055 5.594 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 17.125 4.871 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.795 5.027 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 16.430 3.489 3.516 1.00 0.00 H new ATOM 437 N VAL A 55 16.104 -0.646 -0.454 1.00 0.00 N ATOM 438 CA VAL A 55 16.861 -1.820 -0.917 1.00 0.00 C ATOM 439 C VAL A 55 15.813 -2.955 -0.942 1.00 0.00 C ATOM 440 O VAL A 55 15.483 -3.568 0.076 1.00 0.00 O ATOM 441 CB VAL A 55 17.926 -2.182 0.095 1.00 0.00 C ATOM 442 CG1 VAL A 55 18.758 -3.362 -0.391 1.00 0.00 C ATOM 443 CG2 VAL A 55 18.917 -1.042 0.416 1.00 0.00 C ATOM 0 H VAL A 55 15.835 -0.708 0.528 1.00 0.00 H new ATOM 0 HA VAL A 55 17.346 -1.645 -1.877 1.00 0.00 H new ATOM 0 HB VAL A 55 17.365 -2.417 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 55 19.517 -3.603 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 55 18.111 -4.226 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 55 19.243 -3.102 -1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.645 -1.389 1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.434 -0.742 -0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 55 18.372 -0.189 0.821 1.00 0.00 H new ATOM 444 N THR A 56 15.012 -2.711 -1.958 1.00 0.00 N ATOM 445 CA THR A 56 13.607 -3.140 -1.960 1.00 0.00 C ATOM 446 C THR A 56 12.967 -3.981 -3.083 1.00 0.00 C ATOM 447 O THR A 56 13.612 -4.750 -3.788 1.00 0.00 O ATOM 448 CB THR A 56 12.891 -1.817 -1.654 1.00 0.00 C ATOM 449 OG1 THR A 56 11.679 -2.088 -0.962 1.00 0.00 O ATOM 450 CG2 THR A 56 12.554 -0.923 -2.832 1.00 0.00 C ATOM 0 H THR A 56 15.301 -2.216 -2.802 1.00 0.00 H new ATOM 0 HA THR A 56 13.506 -3.960 -1.249 1.00 0.00 H new ATOM 0 HB THR A 56 13.622 -1.261 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.818 -2.830 -0.337 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.052 -0.024 -2.475 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.471 -0.644 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.897 -1.457 -3.518 1.00 0.00 H new ATOM 451 N ARG A 57 11.652 -4.022 -2.882 1.00 0.00 N ATOM 452 CA ARG A 57 10.505 -4.520 -3.668 1.00 0.00 C ATOM 453 C ARG A 57 10.802 -5.414 -4.904 1.00 0.00 C ATOM 454 O ARG A 57 11.493 -4.981 -5.822 1.00 0.00 O ATOM 455 CB ARG A 57 9.562 -3.375 -3.958 1.00 0.00 C ATOM 456 CG ARG A 57 10.033 -2.307 -4.944 1.00 0.00 C ATOM 457 CD ARG A 57 8.878 -1.354 -5.251 1.00 0.00 C ATOM 458 NE ARG A 57 9.340 -0.279 -6.148 1.00 0.00 N ATOM 459 CZ ARG A 57 9.233 1.023 -5.931 1.00 0.00 C ATOM 460 NH1 ARG A 57 8.665 1.536 -4.847 1.00 0.00 N ATOM 461 NH2 ARG A 57 9.673 1.885 -6.845 1.00 0.00 N ATOM 0 H ARG A 57 11.299 -3.638 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 57 10.019 -5.254 -3.025 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.630 -3.794 -4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.330 -2.882 -3.014 1.00 0.00 H new ATOM 0 HG2 ARG A 57 10.873 -1.754 -4.524 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.387 -2.775 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.058 -1.901 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.492 -0.927 -4.326 1.00 0.00 H new ATOM 0 HE ARG A 57 9.785 -0.566 -7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.284 0.919 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.609 2.548 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 57 10.091 1.542 -7.710 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.592 2.888 -6.681 1.00 0.00 H new ATOM 462 N ASN A 58 10.218 -6.611 -5.018 1.00 0.00 N ATOM 463 CA ASN A 58 9.341 -7.370 -4.075 1.00 0.00 C ATOM 464 C ASN A 58 8.080 -6.696 -3.497 1.00 0.00 C ATOM 465 O ASN A 58 7.884 -6.654 -2.280 1.00 0.00 O ATOM 466 CB ASN A 58 10.197 -7.908 -2.921 1.00 0.00 C ATOM 467 CG ASN A 58 11.096 -9.113 -3.277 1.00 0.00 C ATOM 468 OD1 ASN A 58 11.615 -9.267 -4.372 1.00 0.00 O ATOM 469 ND2 ASN A 58 11.220 -10.024 -2.332 1.00 0.00 N ATOM 0 H ASN A 58 10.356 -7.150 -5.873 1.00 0.00 H new ATOM 0 HA ASN A 58 8.917 -8.141 -4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.829 -7.100 -2.551 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.536 -8.197 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.756 -10.873 -2.510 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.780 -9.879 -1.423 1.00 0.00 H new ATOM 470 N ARG A 59 7.184 -6.222 -4.368 1.00 0.00 N ATOM 471 CA ARG A 59 6.061 -5.427 -3.915 1.00 0.00 C ATOM 472 C ARG A 59 4.723 -6.152 -4.160 1.00 0.00 C ATOM 473 O ARG A 59 4.534 -6.852 -5.157 1.00 0.00 O ATOM 474 CB ARG A 59 6.081 -4.018 -4.498 1.00 0.00 C ATOM 475 CG ARG A 59 5.489 -3.734 -5.899 1.00 0.00 C ATOM 476 CD ARG A 59 6.030 -4.599 -7.052 1.00 0.00 C ATOM 477 NE ARG A 59 7.501 -4.557 -7.166 1.00 0.00 N ATOM 478 CZ ARG A 59 8.226 -5.252 -8.040 1.00 0.00 C ATOM 479 NH1 ARG A 59 7.684 -6.062 -8.944 1.00 0.00 N ATOM 480 NH2 ARG A 59 9.550 -5.207 -7.999 1.00 0.00 N ATOM 0 H ARG A 59 7.221 -6.377 -5.375 1.00 0.00 H new ATOM 0 HA ARG A 59 6.162 -5.307 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.559 -3.372 -3.792 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.122 -3.694 -4.518 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.408 -3.867 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.670 -2.687 -6.142 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.712 -5.631 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.589 -4.261 -7.990 1.00 0.00 H new ATOM 0 HE ARG A 59 8.003 -3.945 -6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.671 -6.171 -8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.281 -6.574 -9.593 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.019 -4.638 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.100 -5.742 -8.672 1.00 0.00 H new ATOM 481 N CYS A 60 3.903 -6.109 -3.118 1.00 0.00 N ATOM 482 CA CYS A 60 2.824 -7.088 -2.946 1.00 0.00 C ATOM 483 C CYS A 60 1.529 -6.492 -2.365 1.00 0.00 C ATOM 484 O CYS A 60 1.532 -5.375 -1.861 1.00 0.00 O ATOM 485 CB CYS A 60 3.377 -8.097 -1.951 1.00 0.00 C ATOM 486 SG CYS A 60 5.062 -8.729 -2.187 1.00 0.00 S ATOM 0 H CYS A 60 3.960 -5.410 -2.377 1.00 0.00 H new ATOM 0 HA CYS A 60 2.550 -7.503 -3.916 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.331 -7.643 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.702 -8.953 -1.941 1.00 0.00 H new ATOM 0 HG CYS A 60 5.880 -8.085 -1.408 1.00 0.00 H new ATOM 487 N GLN A 61 0.497 -7.344 -2.258 1.00 0.00 N ATOM 488 CA GLN A 61 -0.829 -6.955 -1.726 1.00 0.00 C ATOM 489 C GLN A 61 -0.873 -6.698 -0.207 1.00 0.00 C ATOM 490 O GLN A 61 -0.324 -5.703 0.251 1.00 0.00 O ATOM 491 CB GLN A 61 -1.943 -7.933 -2.122 1.00 0.00 C ATOM 492 CG GLN A 61 -1.966 -8.473 -3.547 1.00 0.00 C ATOM 493 CD GLN A 61 -3.026 -9.576 -3.646 1.00 0.00 C ATOM 494 OE1 GLN A 61 -2.776 -10.740 -3.375 1.00 0.00 O ATOM 495 NE2 GLN A 61 -4.257 -9.179 -3.891 1.00 0.00 N ATOM 0 H GLN A 61 0.553 -8.324 -2.537 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.013 -5.995 -2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.891 -8.786 -1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.897 -7.439 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.191 -7.671 -4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.986 -8.867 -3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.442 -8.201 -4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -5.025 -9.849 -3.856 1.00 0.00 H new ATOM 496 N TYR A 62 -1.429 -7.630 0.569 1.00 0.00 N ATOM 497 CA TYR A 62 -1.821 -7.479 1.980 1.00 0.00 C ATOM 498 C TYR A 62 -0.818 -6.804 2.910 1.00 0.00 C ATOM 499 O TYR A 62 -1.076 -5.696 3.368 1.00 0.00 O ATOM 500 CB TYR A 62 -2.240 -8.895 2.432 1.00 0.00 C ATOM 501 CG TYR A 62 -2.442 -9.200 3.915 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.336 -9.648 4.675 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.770 -9.373 4.376 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.559 -10.311 5.899 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.995 -10.026 5.600 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.883 -10.495 6.341 1.00 0.00 C ATOM 507 OH TYR A 62 -3.101 -11.195 7.488 1.00 0.00 O ATOM 0 H TYR A 62 -1.631 -8.565 0.214 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.636 -6.758 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.174 -9.134 1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.487 -9.589 2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.329 -9.483 4.320 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.602 -9.007 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.728 -10.672 6.488 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.000 -10.168 5.970 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.064 -11.239 7.667 1.00 0.00 H new ATOM 508 N CYS A 63 0.434 -7.234 2.756 1.00 0.00 N ATOM 509 CA CYS A 63 1.619 -6.611 3.366 1.00 0.00 C ATOM 510 C CYS A 63 1.647 -5.077 3.329 1.00 0.00 C ATOM 511 O CYS A 63 1.646 -4.415 4.360 1.00 0.00 O ATOM 512 CB CYS A 63 2.804 -7.171 2.540 1.00 0.00 C ATOM 513 SG CYS A 63 2.626 -6.759 0.779 1.00 0.00 S ATOM 0 H CYS A 63 0.664 -8.049 2.187 1.00 0.00 H new ATOM 0 HA CYS A 63 1.643 -6.846 4.430 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.741 -6.763 2.919 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.856 -8.253 2.660 1.00 0.00 H new ATOM 0 HG CYS A 63 3.794 -6.490 0.276 1.00 0.00 H new ATOM 514 N ARG A 64 1.444 -4.536 2.121 1.00 0.00 N ATOM 515 CA ARG A 64 1.527 -3.107 1.825 1.00 0.00 C ATOM 516 C ARG A 64 0.173 -2.455 1.509 1.00 0.00 C ATOM 517 O ARG A 64 0.107 -1.230 1.575 1.00 0.00 O ATOM 518 CB ARG A 64 2.541 -2.805 0.727 1.00 0.00 C ATOM 519 CG ARG A 64 3.965 -3.276 1.068 1.00 0.00 C ATOM 520 CD ARG A 64 4.465 -2.663 2.384 1.00 0.00 C ATOM 521 NE ARG A 64 5.882 -2.943 2.680 1.00 0.00 N ATOM 522 CZ ARG A 64 6.374 -3.974 3.369 1.00 0.00 C ATOM 523 NH1 ARG A 64 5.592 -4.906 3.901 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.601 -3.898 3.851 1.00 0.00 N ATOM 0 H ARG A 64 1.211 -5.099 1.303 1.00 0.00 H new ATOM 0 HA ARG A 64 1.877 -2.652 2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.219 -3.284 -0.197 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.556 -1.731 0.541 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.981 -4.363 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.642 -3.003 0.259 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.319 -1.583 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.853 -3.040 3.203 1.00 0.00 H new ATOM 0 HE ARG A 64 6.562 -2.274 2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.580 -4.847 3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.003 -5.681 4.422 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.159 -3.059 3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.990 -4.678 4.380 1.00 0.00 H new ATOM 525 N LEU A 65 -0.890 -3.246 1.346 1.00 0.00 N ATOM 526 CA LEU A 65 -2.253 -2.727 1.603 1.00 0.00 C ATOM 527 C LEU A 65 -2.264 -2.224 3.047 1.00 0.00 C ATOM 528 O LEU A 65 -2.304 -1.022 3.239 1.00 0.00 O ATOM 529 CB LEU A 65 -3.346 -3.800 1.579 1.00 0.00 C ATOM 530 CG LEU A 65 -4.243 -4.025 0.385 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.762 -2.725 -0.215 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.594 -4.781 -0.744 1.00 0.00 C ATOM 0 H LEU A 65 -0.848 -4.220 1.047 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.458 -1.987 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.853 -4.751 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.001 -3.595 2.426 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.055 -4.619 0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.401 -2.948 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.336 -2.182 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.921 -2.113 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.307 -4.899 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.724 -4.229 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.281 -5.764 -0.391 1.00 0.00 H new ATOM 533 N GLN A 66 -1.780 -3.105 3.916 1.00 0.00 N ATOM 534 CA GLN A 66 -1.841 -2.980 5.382 1.00 0.00 C ATOM 535 C GLN A 66 -0.782 -2.074 6.009 1.00 0.00 C ATOM 536 O GLN A 66 -1.094 -1.316 6.931 1.00 0.00 O ATOM 537 CB GLN A 66 -2.034 -4.363 5.986 1.00 0.00 C ATOM 538 CG GLN A 66 -3.541 -4.667 6.016 1.00 0.00 C ATOM 539 CD GLN A 66 -4.081 -5.297 4.726 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.680 -6.369 4.310 1.00 0.00 O ATOM 541 NE2 GLN A 66 -5.097 -4.712 4.117 1.00 0.00 N ATOM 0 H GLN A 66 -1.315 -3.961 3.615 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.722 -2.399 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.506 -5.113 5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.619 -4.400 6.993 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.748 -5.338 6.849 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.083 -3.741 6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.445 -3.814 4.453 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.534 -5.158 3.311 1.00 0.00 H new ATOM 542 N LYS A 67 0.423 -2.051 5.445 1.00 0.00 N ATOM 543 CA LYS A 67 1.388 -0.986 5.789 1.00 0.00 C ATOM 544 C LYS A 67 1.043 0.396 5.221 1.00 0.00 C ATOM 545 O LYS A 67 1.108 1.374 5.964 1.00 0.00 O ATOM 546 CB LYS A 67 2.817 -1.455 5.475 1.00 0.00 C ATOM 547 CG LYS A 67 3.885 -0.531 6.062 1.00 0.00 C ATOM 548 CD LYS A 67 5.306 -1.003 5.727 1.00 0.00 C ATOM 549 CE LYS A 67 6.299 0.135 5.917 1.00 0.00 C ATOM 550 NZ LYS A 67 7.643 -0.273 5.469 1.00 0.00 N ATOM 0 H LYS A 67 0.758 -2.733 4.765 1.00 0.00 H new ATOM 0 HA LYS A 67 1.319 -0.820 6.864 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.959 -2.462 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.947 -1.513 4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.740 0.479 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.766 -0.482 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.578 -1.843 6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.345 -1.361 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.971 1.009 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.332 0.426 6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.308 0.515 5.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.960 -1.094 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.610 -0.528 4.461 1.00 0.00 H new ATOM 551 N CYS A 68 0.501 0.482 4.001 1.00 0.00 N ATOM 552 CA CYS A 68 -0.112 1.741 3.515 1.00 0.00 C ATOM 553 C CYS A 68 -1.354 2.145 4.337 1.00 0.00 C ATOM 554 O CYS A 68 -1.492 3.301 4.713 1.00 0.00 O ATOM 555 CB CYS A 68 -0.426 1.696 2.015 1.00 0.00 C ATOM 556 SG CYS A 68 1.010 1.997 0.910 1.00 0.00 S ATOM 0 H CYS A 68 0.470 -0.289 3.334 1.00 0.00 H new ATOM 0 HA CYS A 68 0.638 2.518 3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.850 0.720 1.777 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -1.194 2.438 1.798 1.00 0.00 H new ATOM 0 HG CYS A 68 0.857 3.134 0.299 1.00 0.00 H new ATOM 557 N PHE A 69 -2.149 1.153 4.700 1.00 0.00 N ATOM 558 CA PHE A 69 -3.246 1.215 5.702 1.00 0.00 C ATOM 559 C PHE A 69 -2.918 1.736 7.099 1.00 0.00 C ATOM 560 O PHE A 69 -3.816 2.155 7.834 1.00 0.00 O ATOM 561 CB PHE A 69 -3.945 -0.133 5.879 1.00 0.00 C ATOM 562 CG PHE A 69 -5.130 -0.365 4.949 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.229 0.521 5.116 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.242 -1.516 4.124 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.424 0.289 4.426 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.444 -1.768 3.455 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.478 -0.832 3.564 1.00 0.00 C ATOM 0 H PHE A 69 -2.057 0.223 4.292 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.886 1.967 5.241 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.216 -0.928 5.721 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.289 -0.216 6.910 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.142 1.372 5.775 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.406 -2.191 4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.275 0.943 4.547 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.571 -2.665 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.362 -0.972 2.960 1.00 0.00 H new ATOM 568 N GLU A 70 -1.670 1.614 7.507 1.00 0.00 N ATOM 569 CA GLU A 70 -1.169 2.309 8.708 1.00 0.00 C ATOM 570 C GLU A 70 -1.386 3.832 8.677 1.00 0.00 C ATOM 571 O GLU A 70 -1.528 4.483 9.703 1.00 0.00 O ATOM 572 CB GLU A 70 0.309 1.980 8.892 1.00 0.00 C ATOM 573 CG GLU A 70 0.391 0.522 9.368 1.00 0.00 C ATOM 574 CD GLU A 70 1.806 0.142 9.822 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.138 0.468 10.981 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.514 -0.499 9.013 1.00 0.00 O ATOM 0 H GLU A 70 -0.972 1.042 7.032 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.750 1.949 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.852 2.111 7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.765 2.650 9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.307 0.370 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.080 -0.141 8.560 1.00 0.00 H new ATOM 577 N VAL A 71 -1.517 4.335 7.448 1.00 0.00 N ATOM 578 CA VAL A 71 -1.905 5.720 7.127 1.00 0.00 C ATOM 579 C VAL A 71 -3.233 5.614 6.334 1.00 0.00 C ATOM 580 O VAL A 71 -3.237 5.818 5.130 1.00 0.00 O ATOM 581 CB VAL A 71 -0.754 6.381 6.360 1.00 0.00 C ATOM 582 CG1 VAL A 71 -1.034 7.866 6.074 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.563 6.318 7.124 1.00 0.00 C ATOM 0 H VAL A 71 -1.351 3.772 6.614 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.078 6.353 7.998 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.676 5.819 5.430 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.194 8.296 5.529 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.940 7.957 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.167 8.399 7.015 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.347 6.799 6.539 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.455 6.833 8.079 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.831 5.277 7.302 1.00 0.00 H new ATOM 584 N GLY A 72 -4.178 4.905 6.984 1.00 0.00 N ATOM 585 CA GLY A 72 -5.565 4.545 6.587 1.00 0.00 C ATOM 586 C GLY A 72 -6.213 5.370 5.494 1.00 0.00 C ATOM 587 O GLY A 72 -7.224 6.058 5.643 1.00 0.00 O ATOM 0 H GLY A 72 -3.968 4.525 7.907 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.564 3.503 6.267 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.196 4.606 7.474 1.00 0.00 H new ATOM 588 N MET A 73 -5.682 5.007 4.344 1.00 0.00 N ATOM 589 CA MET A 73 -6.114 5.382 2.993 1.00 0.00 C ATOM 590 C MET A 73 -7.486 4.713 2.882 1.00 0.00 C ATOM 591 O MET A 73 -7.670 3.558 3.258 1.00 0.00 O ATOM 592 CB MET A 73 -5.227 4.666 1.966 1.00 0.00 C ATOM 593 CG MET A 73 -3.965 3.949 2.459 1.00 0.00 C ATOM 594 SD MET A 73 -2.383 4.360 1.644 1.00 0.00 S ATOM 595 CE MET A 73 -2.673 3.971 -0.071 1.00 0.00 C ATOM 0 H MET A 73 -4.869 4.391 4.317 1.00 0.00 H new ATOM 0 HA MET A 73 -6.092 6.459 2.827 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.845 3.931 1.450 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.920 5.402 1.223 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.857 4.154 3.524 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.127 2.876 2.356 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.800 4.251 -0.660 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.854 2.901 -0.176 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.543 4.522 -0.427 1.00 0.00 H new ATOM 596 N SER A 74 -8.435 5.415 2.261 1.00 0.00 N ATOM 597 CA SER A 74 -9.761 4.817 2.138 1.00 0.00 C ATOM 598 C SER A 74 -10.216 4.351 0.755 1.00 0.00 C ATOM 599 O SER A 74 -11.213 4.757 0.160 1.00 0.00 O ATOM 600 CB SER A 74 -10.840 5.695 2.822 1.00 0.00 C ATOM 601 OG SER A 74 -10.349 6.245 4.041 1.00 0.00 O ATOM 0 H SER A 74 -8.322 6.345 1.857 1.00 0.00 H new ATOM 0 HA SER A 74 -9.641 3.874 2.671 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.140 6.499 2.150 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.729 5.097 3.020 1.00 0.00 H new ATOM 0 HG SER A 74 -10.052 5.521 4.630 1.00 0.00 H new ATOM 602 N LYS A 75 -9.444 3.353 0.371 1.00 0.00 N ATOM 603 CA LYS A 75 -10.046 2.074 -0.031 1.00 0.00 C ATOM 604 C LYS A 75 -9.893 1.196 1.207 1.00 0.00 C ATOM 605 O LYS A 75 -8.833 0.707 1.531 1.00 0.00 O ATOM 606 CB LYS A 75 -9.479 1.510 -1.324 1.00 0.00 C ATOM 607 CG LYS A 75 -9.574 2.510 -2.494 1.00 0.00 C ATOM 608 CD LYS A 75 -10.958 3.114 -2.809 1.00 0.00 C ATOM 609 CE LYS A 75 -11.973 2.122 -3.365 1.00 0.00 C ATOM 610 NZ LYS A 75 -13.053 2.806 -4.079 1.00 0.00 N ATOM 0 H LYS A 75 -8.426 3.388 0.325 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.096 2.165 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.436 1.234 -1.170 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.015 0.598 -1.585 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.888 3.332 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.214 2.010 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.363 3.555 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.831 3.924 -3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.473 1.426 -4.039 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.391 1.531 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.877 2.176 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.319 3.668 -3.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.731 3.061 -5.035 1.00 0.00 H new ATOM 611 N GLU A 76 -10.983 1.142 1.946 1.00 0.00 N ATOM 612 CA GLU A 76 -10.949 1.030 3.409 1.00 0.00 C ATOM 613 C GLU A 76 -11.459 -0.370 3.800 1.00 0.00 C ATOM 614 O GLU A 76 -10.751 -1.359 3.661 1.00 0.00 O ATOM 615 CB GLU A 76 -11.817 2.183 3.902 1.00 0.00 C ATOM 616 CG GLU A 76 -11.644 2.485 5.400 1.00 0.00 C ATOM 617 CD GLU A 76 -10.206 2.854 5.782 1.00 0.00 C ATOM 618 OE1 GLU A 76 -9.829 4.020 5.514 1.00 0.00 O ATOM 619 OE2 GLU A 76 -9.545 1.975 6.376 1.00 0.00 O ATOM 0 H GLU A 76 -11.925 1.174 1.557 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.960 1.112 3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.577 3.079 3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.863 1.949 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.308 3.304 5.677 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.954 1.614 5.977 1.00 0.00 H new ATOM 620 N SER A 77 -12.759 -0.462 4.077 1.00 0.00 N ATOM 621 CA SER A 77 -13.533 -1.705 4.017 1.00 0.00 C ATOM 622 C SER A 77 -14.395 -1.557 2.770 1.00 0.00 C ATOM 623 O SER A 77 -15.542 -1.120 2.752 1.00 0.00 O ATOM 624 CB SER A 77 -14.383 -1.841 5.291 1.00 0.00 C ATOM 625 OG SER A 77 -15.189 -0.663 5.476 1.00 0.00 O ATOM 0 H SER A 77 -13.318 0.344 4.356 1.00 0.00 H new ATOM 0 HA SER A 77 -12.915 -2.601 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 77 -15.022 -2.721 5.219 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.736 -1.988 6.156 1.00 0.00 H new ATOM 0 HG SER A 77 -15.985 -0.718 4.907 1.00 0.00 H new ATOM 626 N VAL A 78 -13.670 -1.759 1.679 1.00 0.00 N ATOM 627 CA VAL A 78 -14.100 -1.352 0.346 1.00 0.00 C ATOM 628 C VAL A 78 -14.429 -2.507 -0.581 1.00 0.00 C ATOM 629 O VAL A 78 -13.718 -3.498 -0.629 1.00 0.00 O ATOM 630 CB VAL A 78 -13.089 -0.314 -0.139 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.229 -0.611 -1.350 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.491 1.142 -0.003 1.00 0.00 C ATOM 0 H VAL A 78 -12.757 -2.214 1.693 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.079 -0.874 0.365 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.362 -0.485 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.573 0.237 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.627 -1.499 -1.160 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.868 -0.784 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.690 1.777 -0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.400 1.324 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.672 1.373 1.047 1.00 0.00 H new ATOM 633 N ARG A 79 -15.682 -2.491 -1.003 1.00 0.00 N ATOM 634 CA ARG A 79 -16.711 -1.513 -0.573 1.00 0.00 C ATOM 635 C ARG A 79 -17.907 -2.179 0.129 1.00 0.00 C ATOM 636 O ARG A 79 -18.528 -3.095 -0.413 1.00 0.00 O ATOM 637 CB ARG A 79 -17.197 -0.649 -1.733 1.00 0.00 C ATOM 638 CG ARG A 79 -16.742 0.774 -1.427 1.00 0.00 C ATOM 639 CD ARG A 79 -17.143 1.777 -2.507 1.00 0.00 C ATOM 640 NE ARG A 79 -16.446 3.046 -2.215 1.00 0.00 N ATOM 641 CZ ARG A 79 -15.781 3.807 -3.089 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.775 3.542 -4.389 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.923 4.713 -2.644 1.00 0.00 N ATOM 0 H ARG A 79 -16.039 -3.171 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.218 -0.868 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -16.779 -0.996 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.282 -0.699 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -17.166 1.087 -0.473 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.658 0.786 -1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -16.868 1.407 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.223 1.925 -2.511 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.475 3.374 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -16.288 2.737 -4.748 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -15.257 4.143 -5.030 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.774 4.825 -1.641 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -14.411 5.298 -3.304 1.00 0.00 H new ATOM 644 N ASN A 80 -18.196 -1.726 1.346 1.00 0.00 N ATOM 645 CA ASN A 80 -19.269 -2.302 2.185 1.00 0.00 C ATOM 646 C ASN A 80 -20.405 -1.323 2.543 1.00 0.00 C ATOM 647 O ASN A 80 -21.487 -1.830 2.933 1.00 0.00 O ATOM 648 CB ASN A 80 -18.620 -2.917 3.435 1.00 0.00 C ATOM 649 CG ASN A 80 -18.122 -1.928 4.493 1.00 0.00 C ATOM 650 OD1 ASN A 80 -17.715 -0.805 4.241 1.00 0.00 O ATOM 651 ND2 ASN A 80 -18.124 -2.345 5.742 1.00 0.00 N ATOM 652 OXT ASN A 80 -20.171 -0.098 2.469 1.00 0.00 O ATOM 0 H ASN A 80 -17.700 -0.951 1.787 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.774 -3.069 1.598 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -19.343 -3.585 3.903 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.778 -3.532 3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.788 -1.732 6.485 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.461 -3.281 5.967 1.00 0.00 H new