USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=31 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 -67:sc= 1.3 USER MOD Set 1.2: A 80 ASN : amide:sc= 0.754 K(o=2,f=-1.7!) USER MOD Set 2.1: A 68 CYS SG : rot -86:sc= 0.882 USER MOD Set 2.2: A 73 MET CE :methyl 149:sc= -0.154 (180deg=-0.824) USER MOD Set 3.1: A 50 CYS SG : rot -70:sc= -0.992 USER MOD Set 3.2: A 63 CYS SG : rot 159:sc= -2.63! USER MOD Set 4.1: A 44 CYS SG : rot -158:sc= 1.69 USER MOD Set 4.2: A 60 CYS SG : rot -137:sc= -1.36! USER MOD Set 4.3: A 61 GLN : amide:sc= -0.207 K(o=0.12,f=-1.7!) USER MOD Set 5.1: A 40 MET CE :methyl -119:sc= -0.16 (180deg=-1.35) USER MOD Set 5.2: A 42 TYR OH : rot 15:sc= 0.604 USER MOD Set 5.3: A 66 GLN : amide:sc= -1.13! X(o=-0.68!,f=-0.96) USER MOD Set 6.1: A 37 GLN :FLIP amide:sc= -4.26! C(o=-16!,f=-8.1!) USER MOD Set 6.2: A 38 LYS NZ :NH3+ -172:sc= 1.01 (180deg=-0.461) USER MOD Set 6.3: A 75 LYS NZ :NH3+ -136:sc= -4.86! (180deg=-5.1!) USER MOD Set 7.1: A 8 CYS SG : rot -41:sc= -1.63! USER MOD Set 7.2: A 11 CYS SG : rot -57:sc= 0.527 USER MOD Set 7.3: A 25 CYS SG : rot 130:sc= -0.148 USER MOD Set 7.4: A 28 CYS SG : rot 9:sc= 0.0935 USER MOD Set 8.1: A 18 TYR OH : rot 180:sc= -2.07 USER MOD Set 8.2: A 19 HIS : no HD1:sc= 0.321 K(o=-1.8,f=-3.5!) USER MOD Single : A 6 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.09) USER MOD Single : A 12 GLN : amide:sc= 0.516 K(o=0.52,f=-0.88) USER MOD Single : A 16 SER OG : rot 30:sc= -0.272 USER MOD Single : A 20 TYR OH : rot 180:sc= -1.73 USER MOD Single : A 23 SER OG : rot -8:sc= -0.832! USER MOD Single : A 29 LYS NZ :NH3+ -105:sc= -1.14 (180deg=-5.52!) USER MOD Single : A 35 SER OG : rot 100:sc= -0.247 USER MOD Single : A 39 ASN : amide:sc= -0.772 K(o=-0.77,f=-6.4!) USER MOD Single : A 43 THR OG1 : rot -15:sc= 1.03 USER MOD Single : A 45 HIS : no HD1:sc= -0.324 X(o=-0.32,f=0.062) USER MOD Single : A 48 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0269) USER MOD Single : A 49 ASN : amide:sc= -1.07 K(o=-1.1,f=-4.1!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.48 F(o=-4.3!,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= -0.133 (180deg=-0.177) USER MOD Single : A 56 THR OG1 : rot -167:sc=-0.00672 USER MOD Single : A 58 ASN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -120:sc= 0.105 (180deg=-0.177) USER MOD Single : A 74 SER OG : rot 180:sc= -0.982 USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.703 10.489 0.914 1.00 0.00 N ATOM 47 CA LYS A 6 6.671 9.424 0.842 1.00 0.00 C ATOM 48 C LYS A 6 6.121 9.126 -0.545 1.00 0.00 C ATOM 49 O LYS A 6 6.218 7.963 -0.922 1.00 0.00 O ATOM 50 CB LYS A 6 5.500 9.705 1.790 1.00 0.00 C ATOM 51 CG LYS A 6 5.786 10.738 2.879 1.00 0.00 C ATOM 52 CD LYS A 6 6.532 10.144 4.081 1.00 0.00 C ATOM 53 CE LYS A 6 7.775 10.947 4.478 1.00 0.00 C ATOM 54 NZ LYS A 6 8.819 10.774 3.451 1.00 0.00 N ATOM 0 HA LYS A 6 7.216 8.532 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.649 10.046 1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.204 8.770 2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.377 11.551 2.456 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.845 11.171 3.219 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.853 10.093 4.932 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.828 9.121 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.522 12.002 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.144 10.612 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.638 11.371 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.115 9.777 3.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.442 11.051 2.522 1.00 0.00 H new ATOM 55 N PRO A 7 5.409 10.048 -1.203 1.00 0.00 N ATOM 56 CA PRO A 7 3.958 10.272 -1.119 1.00 0.00 C ATOM 57 C PRO A 7 3.100 9.179 -1.794 1.00 0.00 C ATOM 58 O PRO A 7 2.260 9.351 -2.668 1.00 0.00 O ATOM 59 CB PRO A 7 3.740 11.686 -1.630 1.00 0.00 C ATOM 60 CG PRO A 7 5.133 12.298 -1.763 1.00 0.00 C ATOM 61 CD PRO A 7 6.002 11.070 -2.053 1.00 0.00 C ATOM 0 HA PRO A 7 3.602 10.184 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.222 11.680 -2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.124 12.261 -0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.181 13.030 -2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.442 12.809 -0.851 1.00 0.00 H new ATOM 0 HD2 PRO A 7 5.968 10.790 -3.106 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.048 11.247 -1.803 1.00 0.00 H new ATOM 62 N CYS A 8 3.621 8.001 -1.530 1.00 0.00 N ATOM 63 CA CYS A 8 3.116 6.672 -1.896 1.00 0.00 C ATOM 64 C CYS A 8 2.009 5.976 -1.114 1.00 0.00 C ATOM 65 O CYS A 8 1.145 5.403 -1.761 1.00 0.00 O ATOM 66 CB CYS A 8 4.412 5.895 -1.986 1.00 0.00 C ATOM 67 SG CYS A 8 4.528 4.586 -3.241 1.00 0.00 S ATOM 0 H CYS A 8 4.492 7.930 -1.004 1.00 0.00 H new ATOM 0 HA CYS A 8 2.509 6.755 -2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 8 5.217 6.606 -2.168 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.600 5.443 -1.012 1.00 0.00 H new ATOM 0 HG CYS A 8 3.412 3.921 -3.279 1.00 0.00 H new ATOM 68 N PHE A 9 1.886 6.056 0.208 1.00 0.00 N ATOM 69 CA PHE A 9 2.738 6.796 1.148 1.00 0.00 C ATOM 70 C PHE A 9 4.073 6.111 1.532 1.00 0.00 C ATOM 71 O PHE A 9 5.018 6.750 1.983 1.00 0.00 O ATOM 72 CB PHE A 9 1.949 7.314 2.350 1.00 0.00 C ATOM 73 CG PHE A 9 2.703 8.043 3.452 1.00 0.00 C ATOM 74 CD1 PHE A 9 3.261 7.322 4.527 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.473 9.423 3.524 1.00 0.00 C ATOM 76 CE1 PHE A 9 3.544 8.002 5.730 1.00 0.00 C ATOM 77 CE2 PHE A 9 2.754 10.111 4.716 1.00 0.00 C ATOM 78 CZ PHE A 9 3.258 9.384 5.816 1.00 0.00 C ATOM 0 H PHE A 9 1.131 5.569 0.692 1.00 0.00 H new ATOM 0 HA PHE A 9 3.074 7.666 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.177 7.986 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.439 6.464 2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.468 6.266 4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.082 9.954 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.972 7.476 6.571 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.588 11.176 4.789 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.430 9.898 6.750 1.00 0.00 H new ATOM 79 N VAL A 10 4.251 4.912 1.004 1.00 0.00 N ATOM 80 CA VAL A 10 5.191 3.921 1.538 1.00 0.00 C ATOM 81 C VAL A 10 6.255 3.306 0.602 1.00 0.00 C ATOM 82 O VAL A 10 7.369 3.057 1.025 1.00 0.00 O ATOM 83 CB VAL A 10 4.200 2.930 2.103 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.445 1.426 2.007 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.633 3.316 3.475 1.00 0.00 C ATOM 0 H VAL A 10 3.743 4.588 0.181 1.00 0.00 H new ATOM 0 HA VAL A 10 5.902 4.363 2.235 1.00 0.00 H new ATOM 0 HB VAL A 10 3.444 3.061 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.616 0.892 2.472 1.00 0.00 H new ATOM 0 HG12 VAL A 10 4.521 1.136 0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.373 1.175 2.521 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.931 2.551 3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.447 3.398 4.195 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.118 4.274 3.399 1.00 0.00 H new ATOM 86 N CYS A 11 5.914 3.173 -0.679 1.00 0.00 N ATOM 87 CA CYS A 11 6.585 2.213 -1.575 1.00 0.00 C ATOM 88 C CYS A 11 7.374 2.800 -2.750 1.00 0.00 C ATOM 89 O CYS A 11 7.670 2.067 -3.685 1.00 0.00 O ATOM 90 CB CYS A 11 5.438 1.279 -2.047 1.00 0.00 C ATOM 91 SG CYS A 11 4.864 1.327 -3.793 1.00 0.00 S ATOM 0 H CYS A 11 5.176 3.716 -1.127 1.00 0.00 H new ATOM 0 HA CYS A 11 7.382 1.705 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.748 0.255 -1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.573 1.486 -1.417 1.00 0.00 H new ATOM 0 HG CYS A 11 4.484 2.534 -4.092 1.00 0.00 H new ATOM 92 N GLN A 12 7.973 3.995 -2.761 1.00 0.00 N ATOM 93 CA GLN A 12 8.265 5.121 -1.856 1.00 0.00 C ATOM 94 C GLN A 12 8.497 6.247 -2.892 1.00 0.00 C ATOM 95 O GLN A 12 8.670 5.992 -4.091 1.00 0.00 O ATOM 96 CB GLN A 12 9.519 4.736 -1.070 1.00 0.00 C ATOM 97 CG GLN A 12 10.098 5.787 -0.101 1.00 0.00 C ATOM 98 CD GLN A 12 9.193 6.394 0.984 1.00 0.00 C ATOM 99 OE1 GLN A 12 9.392 7.516 1.416 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.264 5.648 1.546 1.00 0.00 N ATOM 0 H GLN A 12 8.372 4.258 -3.662 1.00 0.00 H new ATOM 0 HA GLN A 12 7.519 5.400 -1.112 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.295 3.836 -0.497 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.298 4.472 -1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.952 5.333 0.402 1.00 0.00 H new ATOM 0 HG3 GLN A 12 10.483 6.610 -0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.085 4.707 1.196 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.724 6.012 2.331 1.00 0.00 H new ATOM 124 N SER A 16 1.161 11.541 -5.098 1.00 0.00 N ATOM 125 CA SER A 16 0.087 12.528 -5.224 1.00 0.00 C ATOM 126 C SER A 16 -0.345 13.077 -3.853 1.00 0.00 C ATOM 127 O SER A 16 -0.113 12.442 -2.816 1.00 0.00 O ATOM 128 CB SER A 16 -1.160 12.109 -5.998 1.00 0.00 C ATOM 129 OG SER A 16 -0.819 12.121 -7.381 1.00 0.00 O ATOM 0 HA SER A 16 0.560 13.297 -5.835 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.488 11.116 -5.691 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.985 12.793 -5.799 1.00 0.00 H new ATOM 0 HG SER A 16 0.134 11.919 -7.485 1.00 0.00 H new ATOM 130 N GLY A 17 -0.952 14.255 -3.884 1.00 0.00 N ATOM 131 CA GLY A 17 -1.331 15.023 -2.667 1.00 0.00 C ATOM 132 C GLY A 17 -2.672 15.808 -2.693 1.00 0.00 C ATOM 133 O GLY A 17 -2.659 16.975 -3.039 1.00 0.00 O ATOM 0 H GLY A 17 -1.205 14.724 -4.754 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.367 14.326 -1.829 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.531 15.733 -2.457 1.00 0.00 H new ATOM 134 N TYR A 18 -3.856 15.226 -2.418 1.00 0.00 N ATOM 135 CA TYR A 18 -4.186 13.792 -2.328 1.00 0.00 C ATOM 136 C TYR A 18 -5.699 13.458 -2.319 1.00 0.00 C ATOM 137 O TYR A 18 -6.541 14.354 -2.184 1.00 0.00 O ATOM 138 CB TYR A 18 -3.552 13.009 -1.151 1.00 0.00 C ATOM 139 CG TYR A 18 -3.301 11.546 -1.580 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.879 11.315 -2.904 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.960 10.534 -0.847 1.00 0.00 C ATOM 142 CE1 TYR A 18 -3.243 10.149 -3.573 1.00 0.00 C ATOM 143 CE2 TYR A 18 -4.280 9.324 -1.480 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.956 9.172 -2.848 1.00 0.00 C ATOM 145 OH TYR A 18 -4.518 8.149 -3.534 1.00 0.00 O ATOM 0 H TYR A 18 -4.679 15.801 -2.237 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.731 13.459 -3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.614 13.477 -0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.212 13.037 -0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.267 12.050 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.215 10.691 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.988 9.998 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.763 8.526 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.977 7.550 -2.909 1.00 0.00 H new ATOM 146 N HIS A 19 -5.999 12.219 -2.717 1.00 0.00 N ATOM 147 CA HIS A 19 -7.292 11.520 -2.640 1.00 0.00 C ATOM 148 C HIS A 19 -7.753 11.228 -1.189 1.00 0.00 C ATOM 149 O HIS A 19 -8.134 12.138 -0.471 1.00 0.00 O ATOM 150 CB HIS A 19 -7.152 10.241 -3.481 1.00 0.00 C ATOM 151 CG HIS A 19 -6.916 10.517 -4.966 1.00 0.00 C ATOM 152 ND1 HIS A 19 -7.570 11.366 -5.735 1.00 0.00 N ATOM 153 CD2 HIS A 19 -5.926 9.989 -5.672 1.00 0.00 C ATOM 154 CE1 HIS A 19 -7.006 11.363 -6.941 1.00 0.00 C ATOM 155 NE2 HIS A 19 -6.003 10.505 -6.899 1.00 0.00 N ATOM 0 H HIS A 19 -5.285 11.625 -3.138 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.081 12.160 -3.035 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.324 9.648 -3.093 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.055 9.640 -3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.195 9.276 -5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.311 11.952 -7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -5.387 10.274 -7.679 1.00 0.00 H new ATOM 156 N TYR A 20 -7.562 9.993 -0.717 1.00 0.00 N ATOM 157 CA TYR A 20 -8.126 9.524 0.568 1.00 0.00 C ATOM 158 C TYR A 20 -7.134 9.159 1.688 1.00 0.00 C ATOM 159 O TYR A 20 -6.320 8.261 1.520 1.00 0.00 O ATOM 160 CB TYR A 20 -9.151 8.379 0.380 1.00 0.00 C ATOM 161 CG TYR A 20 -8.848 7.299 -0.673 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.630 6.574 -0.692 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.771 7.215 -1.737 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.316 5.781 -1.805 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.480 6.392 -2.841 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.268 5.678 -2.842 1.00 0.00 C ATOM 167 OH TYR A 20 -7.948 4.920 -3.925 1.00 0.00 O ATOM 0 H TYR A 20 -7.015 9.286 -1.208 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.623 10.426 0.927 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.275 7.881 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.111 8.829 0.129 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.949 6.632 0.144 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.693 7.777 -1.704 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.371 5.263 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -10.171 6.311 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.691 4.932 -4.564 1.00 0.00 H new ATOM 168 N GLY A 21 -7.084 10.039 2.686 1.00 0.00 N ATOM 169 CA GLY A 21 -6.504 9.782 4.038 1.00 0.00 C ATOM 170 C GLY A 21 -4.970 9.837 4.173 1.00 0.00 C ATOM 171 O GLY A 21 -4.438 10.352 5.158 1.00 0.00 O ATOM 0 H GLY A 21 -7.453 10.985 2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.929 10.508 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.836 8.797 4.365 1.00 0.00 H new ATOM 172 N VAL A 22 -4.315 9.420 3.103 1.00 0.00 N ATOM 173 CA VAL A 22 -2.839 9.255 2.989 1.00 0.00 C ATOM 174 C VAL A 22 -2.299 10.312 2.001 1.00 0.00 C ATOM 175 O VAL A 22 -2.863 11.384 1.797 1.00 0.00 O ATOM 176 CB VAL A 22 -2.646 7.772 2.575 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.200 7.453 1.198 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.275 7.204 2.374 1.00 0.00 C ATOM 0 H VAL A 22 -4.800 9.171 2.241 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.270 9.432 3.902 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.132 7.355 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.031 6.400 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.270 7.661 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.697 8.069 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.354 6.155 2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.764 7.757 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.708 7.286 3.301 1.00 0.00 H new ATOM 179 N SER A 23 -1.117 9.995 1.508 1.00 0.00 N ATOM 180 CA SER A 23 -0.514 10.600 0.312 1.00 0.00 C ATOM 181 C SER A 23 -0.140 9.390 -0.556 1.00 0.00 C ATOM 182 O SER A 23 0.474 8.454 -0.050 1.00 0.00 O ATOM 183 CB SER A 23 0.769 11.329 0.676 1.00 0.00 C ATOM 184 OG SER A 23 1.113 12.261 -0.360 1.00 0.00 O ATOM 0 H SER A 23 -0.521 9.286 1.936 1.00 0.00 H new ATOM 0 HA SER A 23 -1.184 11.312 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.643 11.855 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.578 10.612 0.815 1.00 0.00 H new ATOM 0 HG SER A 23 0.519 12.130 -1.128 1.00 0.00 H new ATOM 185 N ALA A 24 -0.790 9.246 -1.699 1.00 0.00 N ATOM 186 CA ALA A 24 -0.517 8.076 -2.550 1.00 0.00 C ATOM 187 C ALA A 24 0.041 8.322 -3.948 1.00 0.00 C ATOM 188 O ALA A 24 -0.508 9.090 -4.732 1.00 0.00 O ATOM 189 CB ALA A 24 -1.699 7.082 -2.540 1.00 0.00 C ATOM 0 H ALA A 24 -1.490 9.895 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 24 0.343 7.617 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.464 6.230 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.874 6.735 -1.522 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.595 7.578 -2.913 1.00 0.00 H new ATOM 190 N CYS A 25 0.688 7.225 -4.298 1.00 0.00 N ATOM 191 CA CYS A 25 1.593 7.026 -5.449 1.00 0.00 C ATOM 192 C CYS A 25 0.903 6.999 -6.822 1.00 0.00 C ATOM 193 O CYS A 25 1.557 6.935 -7.856 1.00 0.00 O ATOM 194 CB CYS A 25 2.122 5.601 -5.245 1.00 0.00 C ATOM 195 SG CYS A 25 3.187 4.723 -6.444 1.00 0.00 S ATOM 0 H CYS A 25 0.596 6.371 -3.748 1.00 0.00 H new ATOM 0 HA CYS A 25 2.314 7.843 -5.468 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.670 5.612 -4.303 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.246 4.970 -5.097 1.00 0.00 H new ATOM 0 HG CYS A 25 4.224 4.237 -5.829 1.00 0.00 H new ATOM 196 N GLU A 26 -0.422 7.084 -6.769 1.00 0.00 N ATOM 197 CA GLU A 26 -1.369 6.934 -7.894 1.00 0.00 C ATOM 198 C GLU A 26 -1.435 5.482 -8.388 1.00 0.00 C ATOM 199 O GLU A 26 -2.490 4.865 -8.329 1.00 0.00 O ATOM 200 CB GLU A 26 -1.134 8.004 -8.977 1.00 0.00 C ATOM 201 CG GLU A 26 -1.505 9.407 -8.518 1.00 0.00 C ATOM 202 CD GLU A 26 -2.906 9.529 -7.911 1.00 0.00 C ATOM 203 OE1 GLU A 26 -3.865 9.741 -8.699 1.00 0.00 O ATOM 204 OE2 GLU A 26 -3.018 9.362 -6.679 1.00 0.00 O ATOM 0 H GLU A 26 -0.904 7.271 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.380 7.136 -7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.085 7.990 -9.272 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.718 7.751 -9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.774 9.739 -7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.431 10.085 -9.368 1.00 0.00 H new ATOM 205 N GLY A 27 -0.236 4.894 -8.486 1.00 0.00 N ATOM 206 CA GLY A 27 -0.026 3.436 -8.507 1.00 0.00 C ATOM 207 C GLY A 27 -0.662 2.791 -7.263 1.00 0.00 C ATOM 208 O GLY A 27 -1.520 1.918 -7.413 1.00 0.00 O ATOM 0 H GLY A 27 0.632 5.425 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.464 3.011 -9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.041 3.215 -8.535 1.00 0.00 H new ATOM 209 N CYS A 28 -0.414 3.362 -6.070 1.00 0.00 N ATOM 210 CA CYS A 28 -1.004 2.828 -4.825 1.00 0.00 C ATOM 211 C CYS A 28 -2.516 2.884 -4.711 1.00 0.00 C ATOM 212 O CYS A 28 -3.095 1.871 -4.362 1.00 0.00 O ATOM 213 CB CYS A 28 -0.416 3.313 -3.521 1.00 0.00 C ATOM 214 SG CYS A 28 1.324 2.781 -3.260 1.00 0.00 S ATOM 0 H CYS A 28 0.181 4.180 -5.940 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.704 1.789 -4.963 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.463 4.402 -3.493 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.028 2.946 -2.697 1.00 0.00 H new ATOM 0 HG CYS A 28 1.779 2.235 -4.349 1.00 0.00 H new ATOM 215 N LYS A 29 -3.147 4.022 -5.005 1.00 0.00 N ATOM 216 CA LYS A 29 -4.635 4.100 -5.000 1.00 0.00 C ATOM 217 C LYS A 29 -5.266 3.083 -5.986 1.00 0.00 C ATOM 218 O LYS A 29 -6.150 2.317 -5.600 1.00 0.00 O ATOM 219 CB LYS A 29 -5.128 5.523 -5.240 1.00 0.00 C ATOM 220 CG LYS A 29 -4.904 6.109 -6.638 1.00 0.00 C ATOM 221 CD LYS A 29 -6.168 6.739 -7.234 1.00 0.00 C ATOM 222 CE LYS A 29 -7.283 5.741 -7.579 1.00 0.00 C ATOM 223 NZ LYS A 29 -6.847 4.793 -8.622 1.00 0.00 N ATOM 0 H LYS A 29 -2.676 4.894 -5.247 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.971 3.818 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.197 5.552 -5.028 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.641 6.177 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.118 6.863 -6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.549 5.322 -7.303 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.560 7.471 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.894 7.283 -8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.573 5.192 -6.683 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.165 6.282 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.291 5.045 -9.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.812 4.836 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.130 3.829 -8.355 1.00 0.00 H new ATOM 224 N GLY A 30 -4.646 2.942 -7.161 1.00 0.00 N ATOM 225 CA GLY A 30 -4.958 1.906 -8.182 1.00 0.00 C ATOM 226 C GLY A 30 -4.848 0.481 -7.611 1.00 0.00 C ATOM 227 O GLY A 30 -5.823 -0.259 -7.588 1.00 0.00 O ATOM 0 H GLY A 30 -3.887 3.560 -7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.966 2.066 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.276 2.012 -9.026 1.00 0.00 H new ATOM 228 N PHE A 31 -3.702 0.206 -6.992 1.00 0.00 N ATOM 229 CA PHE A 31 -3.431 -1.032 -6.229 1.00 0.00 C ATOM 230 C PHE A 31 -4.435 -1.327 -5.110 1.00 0.00 C ATOM 231 O PHE A 31 -4.911 -2.457 -4.957 1.00 0.00 O ATOM 232 CB PHE A 31 -1.996 -0.856 -5.737 1.00 0.00 C ATOM 233 CG PHE A 31 -1.526 -1.694 -4.535 1.00 0.00 C ATOM 234 CD1 PHE A 31 -1.816 -1.196 -3.237 1.00 0.00 C ATOM 235 CD2 PHE A 31 -0.923 -2.952 -4.713 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.598 -1.990 -2.126 1.00 0.00 C ATOM 237 CE2 PHE A 31 -0.654 -3.748 -3.575 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.031 -3.271 -2.296 1.00 0.00 C ATOM 0 H PHE A 31 -2.909 0.848 -7.001 1.00 0.00 H new ATOM 0 HA PHE A 31 -3.549 -1.917 -6.854 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.330 -1.071 -6.572 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.859 0.195 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.207 -0.196 -3.118 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.670 -3.304 -5.702 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.859 -1.634 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.168 -4.707 -3.680 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.881 -3.901 -1.432 1.00 0.00 H new ATOM 239 N PHE A 32 -4.907 -0.254 -4.488 1.00 0.00 N ATOM 240 CA PHE A 32 -5.637 -0.282 -3.208 1.00 0.00 C ATOM 241 C PHE A 32 -7.043 -0.804 -3.503 1.00 0.00 C ATOM 242 O PHE A 32 -7.385 -1.909 -3.074 1.00 0.00 O ATOM 243 CB PHE A 32 -5.550 1.167 -2.701 1.00 0.00 C ATOM 244 CG PHE A 32 -5.254 1.255 -1.232 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.134 0.547 -0.730 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.181 1.869 -0.381 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.033 0.339 0.658 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.095 1.621 0.977 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.046 0.837 1.495 1.00 0.00 C ATOM 0 H PHE A 32 -4.795 0.688 -4.862 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.247 -0.940 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.774 1.695 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.491 1.676 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.373 0.174 -1.399 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.946 2.521 -0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.191 -0.195 1.073 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.838 2.032 1.645 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.020 0.615 2.552 1.00 0.00 H new ATOM 250 N ARG A 33 -7.693 -0.182 -4.484 1.00 0.00 N ATOM 251 CA ARG A 33 -8.928 -0.742 -5.080 1.00 0.00 C ATOM 252 C ARG A 33 -8.756 -2.094 -5.764 1.00 0.00 C ATOM 253 O ARG A 33 -9.573 -2.991 -5.587 1.00 0.00 O ATOM 254 CB ARG A 33 -9.592 0.248 -6.047 1.00 0.00 C ATOM 255 CG ARG A 33 -8.740 0.718 -7.231 1.00 0.00 C ATOM 256 CD ARG A 33 -9.625 1.415 -8.251 1.00 0.00 C ATOM 257 NE ARG A 33 -8.801 1.726 -9.441 1.00 0.00 N ATOM 258 CZ ARG A 33 -8.745 2.884 -10.094 1.00 0.00 C ATOM 259 NH1 ARG A 33 -9.454 3.940 -9.719 1.00 0.00 N ATOM 260 NH2 ARG A 33 -7.987 2.991 -11.173 1.00 0.00 N ATOM 0 H ARG A 33 -7.396 0.706 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.579 -0.915 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -10.498 -0.213 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -9.901 1.125 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.962 1.398 -6.885 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.238 -0.133 -7.691 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.464 0.776 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.044 2.329 -7.830 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.214 0.972 -9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.067 3.880 -8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.386 4.812 -10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.449 2.188 -11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.940 3.876 -11.678 1.00 0.00 H new ATOM 261 N ARG A 34 -7.643 -2.249 -6.462 1.00 0.00 N ATOM 262 CA ARG A 34 -7.415 -3.461 -7.245 1.00 0.00 C ATOM 263 C ARG A 34 -7.491 -4.753 -6.448 1.00 0.00 C ATOM 264 O ARG A 34 -8.338 -5.590 -6.740 1.00 0.00 O ATOM 265 CB ARG A 34 -6.082 -3.376 -8.019 1.00 0.00 C ATOM 266 CG ARG A 34 -5.919 -4.443 -9.107 1.00 0.00 C ATOM 267 CD ARG A 34 -4.810 -5.457 -8.806 1.00 0.00 C ATOM 268 NE ARG A 34 -5.230 -6.438 -7.797 1.00 0.00 N ATOM 269 CZ ARG A 34 -4.552 -6.809 -6.711 1.00 0.00 C ATOM 270 NH1 ARG A 34 -3.412 -6.247 -6.347 1.00 0.00 N ATOM 271 NH2 ARG A 34 -4.979 -7.860 -6.033 1.00 0.00 N ATOM 0 H ARG A 34 -6.890 -1.563 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.245 -3.505 -7.951 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.003 -2.390 -8.478 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.258 -3.465 -7.312 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.863 -4.974 -9.229 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.705 -3.953 -10.057 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.532 -5.975 -9.724 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.922 -4.931 -8.455 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.136 -6.882 -7.943 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.013 -5.493 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.931 -6.567 -5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.808 -8.365 -6.345 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.479 -8.166 -5.198 1.00 0.00 H new ATOM 272 N SER A 35 -6.869 -4.691 -5.275 1.00 0.00 N ATOM 273 CA SER A 35 -7.168 -5.659 -4.234 1.00 0.00 C ATOM 274 C SER A 35 -8.541 -5.441 -3.607 1.00 0.00 C ATOM 275 O SER A 35 -9.519 -6.009 -4.085 1.00 0.00 O ATOM 276 CB SER A 35 -6.094 -5.671 -3.169 1.00 0.00 C ATOM 277 OG SER A 35 -4.866 -6.197 -3.689 1.00 0.00 O ATOM 0 H SER A 35 -6.168 -3.993 -5.027 1.00 0.00 H new ATOM 0 HA SER A 35 -7.187 -6.635 -4.719 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.933 -4.659 -2.798 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.423 -6.273 -2.322 1.00 0.00 H new ATOM 0 HG SER A 35 -4.263 -5.458 -3.913 1.00 0.00 H new ATOM 278 N ILE A 36 -8.668 -4.404 -2.795 1.00 0.00 N ATOM 279 CA ILE A 36 -9.761 -4.316 -1.821 1.00 0.00 C ATOM 280 C ILE A 36 -11.163 -4.350 -2.416 1.00 0.00 C ATOM 281 O ILE A 36 -11.928 -5.273 -2.132 1.00 0.00 O ATOM 282 CB ILE A 36 -9.612 -3.130 -0.875 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.270 -3.226 -0.180 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.668 -3.031 0.214 1.00 0.00 C ATOM 285 CD1 ILE A 36 -7.843 -1.828 0.195 1.00 0.00 C ATOM 0 H ILE A 36 -8.031 -3.607 -2.786 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.659 -5.237 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.719 -2.247 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.344 -3.854 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.532 -3.688 -0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.472 -2.155 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.654 -2.940 -0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.636 -3.927 0.834 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.877 -1.865 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.759 -1.219 -0.705 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.584 -1.388 0.863 1.00 0.00 H new ATOM 286 N GLN A 37 -11.333 -3.510 -3.424 1.00 0.00 N ATOM 287 CA GLN A 37 -12.650 -3.193 -3.973 1.00 0.00 C ATOM 288 C GLN A 37 -13.379 -4.443 -4.518 1.00 0.00 C ATOM 289 O GLN A 37 -14.609 -4.512 -4.549 1.00 0.00 O ATOM 290 CB GLN A 37 -12.387 -2.167 -5.071 1.00 0.00 C ATOM 291 CG GLN A 37 -13.666 -1.477 -5.510 1.00 0.00 C ATOM 292 CD GLN A 37 -13.429 -0.485 -6.650 1.00 0.00 C ATOM 293 OE1 GLN A 37 -12.690 -0.849 -7.683 1.00 0.00 O flip ATOM 294 NE2 GLN A 37 -13.806 0.674 -6.575 1.00 0.00 N flip ATOM 0 H GLN A 37 -10.564 -3.026 -3.888 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.316 -2.803 -3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -11.676 -1.423 -4.711 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -11.927 -2.660 -5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.390 -2.227 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.103 -0.953 -4.660 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.377 0.974 -5.785 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.550 1.342 -7.302 1.00 0.00 H new ATOM 295 N LYS A 38 -12.542 -5.291 -5.108 1.00 0.00 N ATOM 296 CA LYS A 38 -12.901 -6.513 -5.845 1.00 0.00 C ATOM 297 C LYS A 38 -12.177 -7.822 -5.443 1.00 0.00 C ATOM 298 O LYS A 38 -12.797 -8.755 -4.961 1.00 0.00 O ATOM 299 CB LYS A 38 -12.754 -6.140 -7.323 1.00 0.00 C ATOM 300 CG LYS A 38 -11.448 -5.451 -7.710 1.00 0.00 C ATOM 301 CD LYS A 38 -11.673 -4.729 -9.041 1.00 0.00 C ATOM 302 CE LYS A 38 -10.659 -3.612 -9.306 1.00 0.00 C ATOM 303 NZ LYS A 38 -10.717 -2.595 -8.244 1.00 0.00 N ATOM 0 H LYS A 38 -11.533 -5.141 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.920 -6.802 -5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.854 -7.048 -7.918 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.582 -5.486 -7.597 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.147 -4.743 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.644 -6.181 -7.803 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.623 -5.455 -9.853 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.678 -4.307 -9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.654 -4.031 -9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.864 -3.149 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.124 -1.783 -8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.700 -2.279 -8.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.368 -3.003 -7.353 1.00 0.00 H new ATOM 304 N ASN A 39 -10.853 -7.819 -5.590 1.00 0.00 N ATOM 305 CA ASN A 39 -10.032 -9.037 -5.533 1.00 0.00 C ATOM 306 C ASN A 39 -8.867 -9.084 -4.508 1.00 0.00 C ATOM 307 O ASN A 39 -7.713 -9.366 -4.834 1.00 0.00 O ATOM 308 CB ASN A 39 -9.630 -9.422 -6.974 1.00 0.00 C ATOM 309 CG ASN A 39 -8.801 -8.397 -7.749 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.623 -8.173 -7.528 1.00 0.00 O ATOM 311 ND2 ASN A 39 -9.386 -7.875 -8.800 1.00 0.00 N ATOM 0 H ASN A 39 -10.313 -6.969 -5.753 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.667 -9.808 -5.096 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.068 -10.355 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.540 -9.623 -7.540 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.855 -7.279 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.372 -8.065 -8.982 1.00 0.00 H new ATOM 312 N MET A 40 -9.234 -8.933 -3.235 1.00 0.00 N ATOM 313 CA MET A 40 -8.295 -9.147 -2.117 1.00 0.00 C ATOM 314 C MET A 40 -8.511 -10.435 -1.326 1.00 0.00 C ATOM 315 O MET A 40 -8.742 -10.497 -0.120 1.00 0.00 O ATOM 316 CB MET A 40 -8.285 -7.957 -1.186 1.00 0.00 C ATOM 317 CG MET A 40 -9.690 -7.581 -0.700 1.00 0.00 C ATOM 318 SD MET A 40 -10.299 -8.243 0.890 1.00 0.00 S ATOM 319 CE MET A 40 -9.445 -7.210 2.051 1.00 0.00 C ATOM 0 H MET A 40 -10.174 -8.663 -2.945 1.00 0.00 H new ATOM 0 HA MET A 40 -7.321 -9.259 -2.593 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.653 -8.178 -0.326 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.840 -7.103 -1.697 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.735 -6.494 -0.640 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.396 -7.886 -1.473 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.805 -7.825 2.684 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.834 -6.485 1.513 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.170 -6.683 2.671 1.00 0.00 H new ATOM 320 N ILE A 41 -7.997 -11.424 -2.016 1.00 0.00 N ATOM 321 CA ILE A 41 -7.939 -12.762 -1.455 1.00 0.00 C ATOM 322 C ILE A 41 -6.462 -13.188 -1.387 1.00 0.00 C ATOM 323 O ILE A 41 -5.798 -13.375 -2.405 1.00 0.00 O ATOM 324 CB ILE A 41 -8.945 -13.666 -2.174 1.00 0.00 C ATOM 325 CG1 ILE A 41 -10.310 -13.412 -1.538 1.00 0.00 C ATOM 326 CG2 ILE A 41 -8.562 -15.167 -2.164 1.00 0.00 C ATOM 327 CD1 ILE A 41 -11.517 -13.976 -2.312 1.00 0.00 C ATOM 0 H ILE A 41 -7.615 -11.335 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.275 -12.831 -0.420 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.957 -13.414 -3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.310 -13.841 -0.536 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.444 -12.336 -1.424 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -9.324 -15.740 -2.692 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.600 -15.300 -2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.493 -15.518 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.436 -13.741 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.553 -13.529 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.417 -15.058 -2.404 1.00 0.00 H new ATOM 328 N TYR A 42 -5.958 -12.889 -0.196 1.00 0.00 N ATOM 329 CA TYR A 42 -4.517 -12.697 0.075 1.00 0.00 C ATOM 330 C TYR A 42 -4.077 -12.975 1.513 1.00 0.00 C ATOM 331 O TYR A 42 -4.739 -12.600 2.473 1.00 0.00 O ATOM 332 CB TYR A 42 -4.116 -11.261 -0.319 1.00 0.00 C ATOM 333 CG TYR A 42 -4.939 -10.065 0.178 1.00 0.00 C ATOM 334 CD1 TYR A 42 -5.871 -10.127 1.236 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.517 -8.833 -0.347 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.358 -8.937 1.801 1.00 0.00 C ATOM 337 CE2 TYR A 42 -4.994 -7.640 0.219 1.00 0.00 C ATOM 338 CZ TYR A 42 -5.913 -7.708 1.279 1.00 0.00 C ATOM 339 OH TYR A 42 -6.347 -6.551 1.851 1.00 0.00 O ATOM 0 H TYR A 42 -6.541 -12.768 0.632 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.003 -13.444 -0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.090 -11.109 0.016 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.106 -11.216 -1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.207 -11.083 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.830 -8.803 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.061 -8.964 2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.659 -6.684 -0.155 1.00 0.00 H new ATOM 0 HH TYR A 42 -6.746 -6.747 2.724 1.00 0.00 H new ATOM 340 N THR A 43 -3.105 -13.873 1.594 1.00 0.00 N ATOM 341 CA THR A 43 -2.091 -13.926 2.663 1.00 0.00 C ATOM 342 C THR A 43 -0.863 -14.656 2.111 1.00 0.00 C ATOM 343 O THR A 43 -0.820 -15.876 2.063 1.00 0.00 O ATOM 344 CB THR A 43 -2.555 -14.569 3.997 1.00 0.00 C ATOM 345 OG1 THR A 43 -3.814 -14.050 4.423 1.00 0.00 O ATOM 346 CG2 THR A 43 -1.525 -14.222 5.083 1.00 0.00 C ATOM 0 H THR A 43 -2.988 -14.612 0.901 1.00 0.00 H new ATOM 0 HA THR A 43 -1.868 -12.894 2.935 1.00 0.00 H new ATOM 0 HB THR A 43 -2.648 -15.644 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 43 -4.015 -13.230 3.925 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.832 -14.665 6.030 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.549 -14.615 4.798 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.462 -13.139 5.192 1.00 0.00 H new ATOM 347 N CYS A 44 0.040 -13.912 1.497 1.00 0.00 N ATOM 348 CA CYS A 44 0.011 -12.438 1.336 1.00 0.00 C ATOM 349 C CYS A 44 -0.290 -11.788 -0.041 1.00 0.00 C ATOM 350 O CYS A 44 -0.707 -10.631 -0.092 1.00 0.00 O ATOM 351 CB CYS A 44 1.243 -11.838 2.051 1.00 0.00 C ATOM 352 SG CYS A 44 2.352 -10.764 1.064 1.00 0.00 S ATOM 0 H CYS A 44 0.867 -14.327 1.067 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.928 -12.156 1.812 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.889 -11.261 2.905 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.837 -12.662 2.447 1.00 0.00 H new ATOM 0 HG CYS A 44 3.523 -10.717 1.626 1.00 0.00 H new ATOM 353 N HIS A 45 -0.007 -12.363 -1.206 1.00 0.00 N ATOM 354 CA HIS A 45 0.760 -13.590 -1.437 1.00 0.00 C ATOM 355 C HIS A 45 2.038 -13.399 -2.251 1.00 0.00 C ATOM 356 O HIS A 45 2.064 -13.442 -3.475 1.00 0.00 O ATOM 357 CB HIS A 45 -0.192 -14.647 -2.044 1.00 0.00 C ATOM 358 CG HIS A 45 0.411 -16.051 -1.913 1.00 0.00 C ATOM 359 ND1 HIS A 45 1.025 -16.709 -2.887 1.00 0.00 N ATOM 360 CD2 HIS A 45 0.473 -16.794 -0.810 1.00 0.00 C ATOM 361 CE1 HIS A 45 1.473 -17.863 -2.391 1.00 0.00 C ATOM 362 NE2 HIS A 45 1.121 -17.908 -1.109 1.00 0.00 N ATOM 0 H HIS A 45 -0.331 -11.954 -2.082 1.00 0.00 H new ATOM 0 HA HIS A 45 1.138 -13.939 -0.476 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.156 -14.610 -1.537 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -0.375 -14.420 -3.094 1.00 0.00 H new ATOM 0 HD2 HIS A 45 0.067 -16.534 0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.021 -18.621 -2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.318 -18.673 -0.464 1.00 0.00 H new ATOM 363 N ARG A 46 3.006 -12.878 -1.501 1.00 0.00 N ATOM 364 CA ARG A 46 4.328 -13.486 -1.584 1.00 0.00 C ATOM 365 C ARG A 46 4.533 -14.191 -0.225 1.00 0.00 C ATOM 366 O ARG A 46 3.981 -15.256 0.027 1.00 0.00 O ATOM 367 CB ARG A 46 5.494 -12.543 -1.906 1.00 0.00 C ATOM 368 CG ARG A 46 5.294 -11.724 -3.188 1.00 0.00 C ATOM 369 CD ARG A 46 6.617 -11.361 -3.893 1.00 0.00 C ATOM 370 NE ARG A 46 7.624 -10.852 -2.937 1.00 0.00 N ATOM 371 CZ ARG A 46 8.878 -11.298 -2.812 1.00 0.00 C ATOM 372 NH1 ARG A 46 9.392 -12.192 -3.637 1.00 0.00 N ATOM 373 NH2 ARG A 46 9.514 -11.117 -1.662 1.00 0.00 N ATOM 0 H ARG A 46 2.912 -12.085 -0.866 1.00 0.00 H new ATOM 0 HA ARG A 46 4.345 -14.163 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.638 -11.860 -1.069 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.408 -13.130 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.666 -12.289 -3.877 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.756 -10.807 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.011 -12.240 -4.403 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.427 -10.608 -4.657 1.00 0.00 H new ATOM 0 HE ARG A 46 7.336 -10.094 -2.318 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.828 -12.565 -4.400 1.00 0.00 H new ATOM 0 HH12 ARG A 46 10.353 -12.509 -3.511 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.046 -10.643 -0.889 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.471 -11.451 -1.550 1.00 0.00 H new ATOM 374 N ASP A 47 5.050 -13.409 0.717 1.00 0.00 N ATOM 375 CA ASP A 47 5.180 -13.710 2.142 1.00 0.00 C ATOM 376 C ASP A 47 4.700 -12.479 2.928 1.00 0.00 C ATOM 377 O ASP A 47 4.829 -11.358 2.435 1.00 0.00 O ATOM 378 CB ASP A 47 6.630 -14.104 2.477 1.00 0.00 C ATOM 379 CG ASP A 47 7.725 -13.109 2.045 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.443 -11.892 2.037 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.832 -13.588 1.711 1.00 0.00 O ATOM 0 H ASP A 47 5.415 -12.484 0.491 1.00 0.00 H new ATOM 0 HA ASP A 47 4.564 -14.565 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.705 -14.249 3.555 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.839 -15.067 2.011 1.00 0.00 H new ATOM 382 N LYS A 48 4.461 -12.633 4.216 1.00 0.00 N ATOM 383 CA LYS A 48 3.906 -11.531 5.039 1.00 0.00 C ATOM 384 C LYS A 48 4.999 -10.733 5.792 1.00 0.00 C ATOM 385 O LYS A 48 4.811 -10.265 6.921 1.00 0.00 O ATOM 386 CB LYS A 48 2.795 -12.070 5.955 1.00 0.00 C ATOM 387 CG LYS A 48 3.235 -13.264 6.794 1.00 0.00 C ATOM 388 CD LYS A 48 2.127 -13.790 7.731 1.00 0.00 C ATOM 389 CE LYS A 48 1.639 -12.786 8.776 1.00 0.00 C ATOM 390 NZ LYS A 48 2.738 -12.336 9.654 1.00 0.00 N ATOM 0 H LYS A 48 4.635 -13.497 4.729 1.00 0.00 H new ATOM 0 HA LYS A 48 3.453 -10.798 4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.460 -11.272 6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.938 -12.358 5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.553 -14.068 6.131 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.102 -12.981 7.391 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.277 -14.104 7.125 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.497 -14.677 8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.197 -11.925 8.275 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.854 -13.241 9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.356 -11.723 10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.198 -13.163 10.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.435 -11.805 9.094 1.00 0.00 H new ATOM 391 N ASN A 49 6.171 -10.682 5.163 1.00 0.00 N ATOM 392 CA ASN A 49 7.266 -9.728 5.437 1.00 0.00 C ATOM 393 C ASN A 49 7.672 -8.840 4.239 1.00 0.00 C ATOM 394 O ASN A 49 8.644 -8.083 4.306 1.00 0.00 O ATOM 395 CB ASN A 49 8.503 -10.523 5.925 1.00 0.00 C ATOM 396 CG ASN A 49 9.008 -11.512 4.871 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.471 -12.593 4.694 1.00 0.00 O ATOM 398 ND2 ASN A 49 9.901 -11.065 4.016 1.00 0.00 N ATOM 0 H ASN A 49 6.403 -11.331 4.411 1.00 0.00 H new ATOM 0 HA ASN A 49 6.890 -9.042 6.196 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.302 -9.827 6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.248 -11.064 6.836 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.149 -11.623 3.199 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.346 -10.160 4.170 1.00 0.00 H new ATOM 399 N CYS A 50 7.017 -9.091 3.110 1.00 0.00 N ATOM 400 CA CYS A 50 7.198 -8.462 1.776 1.00 0.00 C ATOM 401 C CYS A 50 7.140 -6.930 1.942 1.00 0.00 C ATOM 402 O CYS A 50 6.098 -6.365 2.269 1.00 0.00 O ATOM 403 CB CYS A 50 6.007 -9.001 0.972 1.00 0.00 C ATOM 404 SG CYS A 50 5.957 -8.968 -0.857 1.00 0.00 S ATOM 0 H CYS A 50 6.281 -9.797 3.087 1.00 0.00 H new ATOM 0 HA CYS A 50 8.147 -8.684 1.288 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.877 -10.042 1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.127 -8.459 1.317 1.00 0.00 H new ATOM 0 HG CYS A 50 5.829 -7.740 -1.266 1.00 0.00 H new ATOM 405 N VAL A 51 8.260 -6.279 1.626 1.00 0.00 N ATOM 406 CA VAL A 51 8.677 -5.005 2.227 1.00 0.00 C ATOM 407 C VAL A 51 8.678 -3.909 1.157 1.00 0.00 C ATOM 408 O VAL A 51 9.351 -4.061 0.139 1.00 0.00 O ATOM 409 CB VAL A 51 10.180 -5.008 2.562 1.00 0.00 C ATOM 410 CG1 VAL A 51 10.383 -4.142 3.799 1.00 0.00 C ATOM 411 CG2 VAL A 51 10.812 -6.335 2.884 1.00 0.00 C ATOM 0 H VAL A 51 8.919 -6.628 0.930 1.00 0.00 H new ATOM 0 HA VAL A 51 8.014 -4.858 3.079 1.00 0.00 H new ATOM 0 HB VAL A 51 10.658 -4.656 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.441 -4.125 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.044 -3.127 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.810 -4.554 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.871 -6.191 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.320 -6.771 3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.704 -7.006 2.032 1.00 0.00 H new ATOM 412 N ILE A 52 8.110 -2.763 1.504 1.00 0.00 N ATOM 413 CA ILE A 52 8.314 -1.532 0.713 1.00 0.00 C ATOM 414 C ILE A 52 8.376 -0.200 1.463 1.00 0.00 C ATOM 415 O ILE A 52 7.486 0.185 2.217 1.00 0.00 O ATOM 416 CB ILE A 52 7.607 -1.317 -0.611 1.00 0.00 C ATOM 417 CG1 ILE A 52 6.429 -2.197 -1.068 1.00 0.00 C ATOM 418 CG2 ILE A 52 8.693 -1.235 -1.683 1.00 0.00 C ATOM 419 CD1 ILE A 52 6.699 -3.681 -1.162 1.00 0.00 C ATOM 0 H ILE A 52 7.507 -2.648 2.319 1.00 0.00 H new ATOM 0 HA ILE A 52 9.320 -1.852 0.441 1.00 0.00 H new ATOM 0 HB ILE A 52 7.037 -0.404 -0.438 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.599 -2.043 -0.378 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.099 -1.847 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.231 -1.080 -2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.361 -0.403 -1.461 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.263 -2.164 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.797 -4.195 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.502 -3.860 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.994 -4.060 -0.183 1.00 0.00 H new ATOM 420 N ASN A 53 9.634 0.216 1.474 1.00 0.00 N ATOM 421 CA ASN A 53 10.087 1.615 1.459 1.00 0.00 C ATOM 422 C ASN A 53 11.043 1.652 0.243 1.00 0.00 C ATOM 423 O ASN A 53 10.596 1.348 -0.861 1.00 0.00 O ATOM 424 CB ASN A 53 10.680 2.073 2.805 1.00 0.00 C ATOM 425 CG ASN A 53 11.979 1.390 3.235 1.00 0.00 C ATOM 426 OD1 ASN A 53 13.056 2.136 3.244 1.00 0.00 O flip ATOM 427 ND2 ASN A 53 12.075 0.188 3.464 1.00 0.00 N flip ATOM 0 H ASN A 53 10.414 -0.441 1.495 1.00 0.00 H new ATOM 0 HA ASN A 53 9.284 2.343 1.346 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.858 3.147 2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 53 9.933 1.910 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.242 -0.400 3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 53 12.988 -0.223 3.659 1.00 0.00 H new ATOM 428 N LYS A 54 12.309 2.062 0.406 1.00 0.00 N ATOM 429 CA LYS A 54 13.362 1.727 -0.563 1.00 0.00 C ATOM 430 C LYS A 54 14.683 1.181 0.026 1.00 0.00 C ATOM 431 O LYS A 54 15.564 1.913 0.456 1.00 0.00 O ATOM 432 CB LYS A 54 13.583 2.874 -1.560 1.00 0.00 C ATOM 433 CG LYS A 54 13.917 4.210 -0.870 1.00 0.00 C ATOM 434 CD LYS A 54 14.073 5.403 -1.806 1.00 0.00 C ATOM 435 CE LYS A 54 14.432 6.671 -1.020 1.00 0.00 C ATOM 436 NZ LYS A 54 13.322 7.105 -0.162 1.00 0.00 N ATOM 0 H LYS A 54 12.628 2.623 1.196 1.00 0.00 H new ATOM 0 HA LYS A 54 12.971 0.866 -1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.394 2.608 -2.238 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.687 2.999 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.131 4.435 -0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.842 4.088 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.850 5.194 -2.542 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.146 5.562 -2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 54 15.314 6.483 -0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.690 7.470 -1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.552 8.026 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.457 7.193 -0.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.171 6.404 0.591 1.00 0.00 H new ATOM 437 N VAL A 55 14.555 -0.074 0.443 1.00 0.00 N ATOM 438 CA VAL A 55 15.652 -1.027 0.761 1.00 0.00 C ATOM 439 C VAL A 55 15.510 -2.320 -0.090 1.00 0.00 C ATOM 440 O VAL A 55 16.467 -3.018 -0.381 1.00 0.00 O ATOM 441 CB VAL A 55 15.517 -1.351 2.259 1.00 0.00 C ATOM 442 CG1 VAL A 55 16.384 -2.533 2.702 1.00 0.00 C ATOM 443 CG2 VAL A 55 15.761 -0.155 3.176 1.00 0.00 C ATOM 0 H VAL A 55 13.636 -0.493 0.581 1.00 0.00 H new ATOM 0 HA VAL A 55 16.629 -0.599 0.535 1.00 0.00 H new ATOM 0 HB VAL A 55 14.471 -1.637 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 55 16.242 -2.709 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.095 -3.425 2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 55 17.433 -2.308 2.508 1.00 0.00 H new ATOM 0 HG21 VAL A 55 15.648 -0.464 4.215 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.771 0.224 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.039 0.630 2.950 1.00 0.00 H new ATOM 444 N THR A 56 14.314 -2.460 -0.658 1.00 0.00 N ATOM 445 CA THR A 56 13.289 -3.456 -0.279 1.00 0.00 C ATOM 446 C THR A 56 12.902 -4.471 -1.379 1.00 0.00 C ATOM 447 O THR A 56 13.676 -5.355 -1.733 1.00 0.00 O ATOM 448 CB THR A 56 12.079 -2.567 0.048 1.00 0.00 C ATOM 449 OG1 THR A 56 11.838 -1.522 -0.865 1.00 0.00 O ATOM 450 CG2 THR A 56 12.051 -2.126 1.497 1.00 0.00 C ATOM 0 H THR A 56 14.011 -1.863 -1.427 1.00 0.00 H new ATOM 0 HA THR A 56 13.657 -4.092 0.527 1.00 0.00 H new ATOM 0 HB THR A 56 11.218 -3.221 -0.089 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.192 -0.893 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.175 -1.501 1.670 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.005 -3.003 2.143 1.00 0.00 H new ATOM 0 HG23 THR A 56 12.953 -1.557 1.722 1.00 0.00 H new ATOM 451 N ARG A 57 11.579 -4.660 -1.436 1.00 0.00 N ATOM 452 CA ARG A 57 10.751 -4.984 -2.601 1.00 0.00 C ATOM 453 C ARG A 57 11.191 -6.211 -3.431 1.00 0.00 C ATOM 454 O ARG A 57 12.075 -6.129 -4.284 1.00 0.00 O ATOM 455 CB ARG A 57 10.397 -3.684 -3.284 1.00 0.00 C ATOM 456 CG ARG A 57 11.552 -2.980 -4.041 1.00 0.00 C ATOM 457 CD ARG A 57 11.098 -1.718 -4.764 1.00 0.00 C ATOM 458 NE ARG A 57 10.187 -2.066 -5.867 1.00 0.00 N ATOM 459 CZ ARG A 57 8.964 -1.563 -6.081 1.00 0.00 C ATOM 460 NH1 ARG A 57 8.440 -0.625 -5.309 1.00 0.00 N ATOM 461 NH2 ARG A 57 8.247 -1.998 -7.109 1.00 0.00 N ATOM 0 H ARG A 57 11.011 -4.583 -0.592 1.00 0.00 H new ATOM 0 HA ARG A 57 9.802 -5.428 -2.301 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.589 -3.875 -3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 57 10.008 -2.996 -2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.342 -2.725 -3.334 1.00 0.00 H new ATOM 0 HG3 ARG A 57 11.983 -3.673 -4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 57 10.596 -1.050 -4.065 1.00 0.00 H new ATOM 0 HD3 ARG A 57 11.963 -1.181 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 57 10.521 -2.760 -6.536 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.971 -0.260 -4.518 1.00 0.00 H new ATOM 0 HH12 ARG A 57 7.505 -0.267 -5.504 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.628 -2.711 -7.731 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.315 -1.619 -7.277 1.00 0.00 H new ATOM 462 N ASN A 58 10.658 -7.403 -3.121 1.00 0.00 N ATOM 463 CA ASN A 58 9.671 -7.760 -2.068 1.00 0.00 C ATOM 464 C ASN A 58 8.291 -7.058 -2.155 1.00 0.00 C ATOM 465 O ASN A 58 7.772 -6.588 -1.153 1.00 0.00 O ATOM 466 CB ASN A 58 10.238 -7.643 -0.631 1.00 0.00 C ATOM 467 CG ASN A 58 11.433 -8.541 -0.314 1.00 0.00 C ATOM 468 OD1 ASN A 58 11.312 -9.574 0.327 1.00 0.00 O ATOM 469 ND2 ASN A 58 12.628 -8.098 -0.644 1.00 0.00 N ATOM 0 H ASN A 58 10.930 -8.231 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 58 9.480 -8.810 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.530 -6.607 -0.459 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.439 -7.871 0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.460 -8.618 -0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.722 -7.235 -1.179 1.00 0.00 H new ATOM 470 N ARG A 59 7.680 -7.000 -3.342 1.00 0.00 N ATOM 471 CA ARG A 59 6.435 -6.268 -3.507 1.00 0.00 C ATOM 472 C ARG A 59 5.253 -7.186 -3.892 1.00 0.00 C ATOM 473 O ARG A 59 5.417 -8.172 -4.621 1.00 0.00 O ATOM 474 CB ARG A 59 6.606 -5.105 -4.489 1.00 0.00 C ATOM 475 CG ARG A 59 6.458 -5.359 -6.006 1.00 0.00 C ATOM 476 CD ARG A 59 7.651 -6.047 -6.684 1.00 0.00 C ATOM 477 NE ARG A 59 7.780 -7.455 -6.263 1.00 0.00 N ATOM 478 CZ ARG A 59 8.912 -8.103 -6.003 1.00 0.00 C ATOM 479 NH1 ARG A 59 10.100 -7.533 -6.167 1.00 0.00 N ATOM 480 NH2 ARG A 59 8.867 -9.259 -5.359 1.00 0.00 N ATOM 0 H ARG A 59 8.028 -7.448 -4.190 1.00 0.00 H new ATOM 0 HA ARG A 59 6.181 -5.845 -2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.882 -4.337 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.597 -4.682 -4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.569 -5.969 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.284 -4.403 -6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.531 -6.000 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.567 -5.509 -6.441 1.00 0.00 H new ATOM 0 HE ARG A 59 6.914 -7.985 -6.161 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.162 -6.571 -6.501 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.950 -8.057 -5.959 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.969 -9.645 -5.067 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.730 -9.763 -5.155 1.00 0.00 H new ATOM 481 N CYS A 60 4.092 -6.857 -3.337 1.00 0.00 N ATOM 482 CA CYS A 60 2.840 -7.659 -3.423 1.00 0.00 C ATOM 483 C CYS A 60 1.625 -6.881 -2.851 1.00 0.00 C ATOM 484 O CYS A 60 1.761 -5.704 -2.520 1.00 0.00 O ATOM 485 CB CYS A 60 3.088 -8.911 -2.592 1.00 0.00 C ATOM 486 SG CYS A 60 1.781 -10.154 -2.365 1.00 0.00 S ATOM 0 H CYS A 60 3.974 -6.001 -2.794 1.00 0.00 H new ATOM 0 HA CYS A 60 2.604 -7.892 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.943 -9.423 -3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.391 -8.581 -1.599 1.00 0.00 H new ATOM 0 HG CYS A 60 1.765 -10.546 -1.126 1.00 0.00 H new ATOM 487 N GLN A 61 0.513 -7.590 -2.633 1.00 0.00 N ATOM 488 CA GLN A 61 -0.723 -7.021 -2.066 1.00 0.00 C ATOM 489 C GLN A 61 -0.742 -6.773 -0.558 1.00 0.00 C ATOM 490 O GLN A 61 -0.218 -5.760 -0.107 1.00 0.00 O ATOM 491 CB GLN A 61 -2.003 -7.782 -2.458 1.00 0.00 C ATOM 492 CG GLN A 61 -2.007 -8.555 -3.788 1.00 0.00 C ATOM 493 CD GLN A 61 -2.264 -10.035 -3.517 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.382 -10.792 -3.129 1.00 0.00 O ATOM 495 NE2 GLN A 61 -3.512 -10.455 -3.607 1.00 0.00 N ATOM 0 H GLN A 61 0.440 -8.585 -2.846 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.716 -6.040 -2.541 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.228 -8.490 -1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.822 -7.064 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.776 -8.157 -4.450 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.052 -8.428 -4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.242 -9.820 -3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.747 -11.415 -3.353 1.00 0.00 H new ATOM 496 N TYR A 62 -1.148 -7.789 0.213 1.00 0.00 N ATOM 497 CA TYR A 62 -1.559 -7.643 1.632 1.00 0.00 C ATOM 498 C TYR A 62 -0.536 -6.953 2.522 1.00 0.00 C ATOM 499 O TYR A 62 -0.807 -5.882 3.045 1.00 0.00 O ATOM 500 CB TYR A 62 -1.863 -9.080 2.118 1.00 0.00 C ATOM 501 CG TYR A 62 -2.187 -9.345 3.592 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.147 -9.495 4.527 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.491 -9.798 3.870 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.404 -10.149 5.743 1.00 0.00 C ATOM 505 CE2 TYR A 62 -3.757 -10.455 5.085 1.00 0.00 C ATOM 506 CZ TYR A 62 -2.705 -10.635 6.002 1.00 0.00 C ATOM 507 OH TYR A 62 -2.904 -11.394 7.107 1.00 0.00 O ATOM 0 H TYR A 62 -1.204 -8.749 -0.126 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.424 -6.984 1.697 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.705 -9.448 1.531 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.002 -9.697 1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.161 -9.111 4.312 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.284 -9.642 3.153 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -0.617 -10.279 6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -4.750 -10.815 5.310 1.00 0.00 H new ATOM 0 HH TYR A 62 -3.847 -11.657 7.158 1.00 0.00 H new ATOM 508 N CYS A 63 0.707 -7.366 2.302 1.00 0.00 N ATOM 509 CA CYS A 63 1.916 -6.753 2.874 1.00 0.00 C ATOM 510 C CYS A 63 1.923 -5.220 2.905 1.00 0.00 C ATOM 511 O CYS A 63 1.916 -4.619 3.979 1.00 0.00 O ATOM 512 CB CYS A 63 3.043 -7.312 1.972 1.00 0.00 C ATOM 513 SG CYS A 63 2.852 -6.899 0.203 1.00 0.00 S ATOM 0 H CYS A 63 0.916 -8.163 1.701 1.00 0.00 H new ATOM 0 HA CYS A 63 2.015 -7.000 3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.000 -6.927 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.077 -8.396 2.080 1.00 0.00 H new ATOM 0 HG CYS A 63 4.003 -6.998 -0.393 1.00 0.00 H new ATOM 514 N ARG A 64 1.653 -4.628 1.745 1.00 0.00 N ATOM 515 CA ARG A 64 1.605 -3.160 1.592 1.00 0.00 C ATOM 516 C ARG A 64 0.244 -2.557 1.219 1.00 0.00 C ATOM 517 O ARG A 64 0.140 -1.331 1.210 1.00 0.00 O ATOM 518 CB ARG A 64 2.719 -2.662 0.688 1.00 0.00 C ATOM 519 CG ARG A 64 4.091 -2.889 1.330 1.00 0.00 C ATOM 520 CD ARG A 64 4.260 -1.983 2.552 1.00 0.00 C ATOM 521 NE ARG A 64 5.635 -1.880 3.051 1.00 0.00 N ATOM 522 CZ ARG A 64 6.253 -2.728 3.866 1.00 0.00 C ATOM 523 NH1 ARG A 64 5.685 -3.835 4.330 1.00 0.00 N ATOM 524 NH2 ARG A 64 7.417 -2.368 4.392 1.00 0.00 N ATOM 0 H ARG A 64 1.461 -5.140 0.884 1.00 0.00 H new ATOM 0 HA ARG A 64 1.771 -2.785 2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.672 -3.179 -0.271 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.580 -1.600 0.485 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.194 -3.933 1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.878 -2.684 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.904 -0.984 2.299 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.623 -2.355 3.355 1.00 0.00 H new ATOM 0 HE ARG A 64 6.174 -1.072 2.740 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.729 -4.068 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.205 -4.452 4.954 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.818 -1.457 4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.910 -3.002 5.021 1.00 0.00 H new ATOM 525 N LEU A 65 -0.799 -3.382 1.147 1.00 0.00 N ATOM 526 CA LEU A 65 -2.156 -2.885 1.462 1.00 0.00 C ATOM 527 C LEU A 65 -2.125 -2.433 2.918 1.00 0.00 C ATOM 528 O LEU A 65 -2.028 -1.236 3.144 1.00 0.00 O ATOM 529 CB LEU A 65 -3.237 -3.966 1.406 1.00 0.00 C ATOM 530 CG LEU A 65 -4.159 -4.112 0.223 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.670 -2.792 -0.327 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.507 -4.824 -0.946 1.00 0.00 C ATOM 0 H LEU A 65 -0.747 -4.366 0.884 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.395 -2.112 0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.731 -4.923 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.870 -3.824 2.282 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.986 -4.694 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.327 -2.981 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.224 -2.264 0.449 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.827 -2.181 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.218 -4.900 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.633 -4.261 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.200 -5.824 -0.638 1.00 0.00 H new ATOM 533 N GLN A 66 -1.654 -3.352 3.740 1.00 0.00 N ATOM 534 CA GLN A 66 -1.735 -3.310 5.209 1.00 0.00 C ATOM 535 C GLN A 66 -0.710 -2.391 5.900 1.00 0.00 C ATOM 536 O GLN A 66 -1.070 -1.650 6.808 1.00 0.00 O ATOM 537 CB GLN A 66 -1.877 -4.731 5.732 1.00 0.00 C ATOM 538 CG GLN A 66 -3.379 -5.070 5.762 1.00 0.00 C ATOM 539 CD GLN A 66 -3.932 -5.619 4.445 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.537 -6.656 3.944 1.00 0.00 O ATOM 541 NE2 GLN A 66 -4.944 -4.985 3.876 1.00 0.00 N ATOM 0 H GLN A 66 -1.182 -4.189 3.399 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.641 -2.781 5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.340 -5.430 5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.445 -4.817 6.729 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.558 -5.802 6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.936 -4.172 6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.292 -4.115 4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.377 -5.367 3.035 1.00 0.00 H new ATOM 542 N LYS A 67 0.504 -2.338 5.376 1.00 0.00 N ATOM 543 CA LYS A 67 1.459 -1.304 5.813 1.00 0.00 C ATOM 544 C LYS A 67 1.273 0.103 5.214 1.00 0.00 C ATOM 545 O LYS A 67 1.562 1.084 5.903 1.00 0.00 O ATOM 546 CB LYS A 67 2.912 -1.795 5.699 1.00 0.00 C ATOM 547 CG LYS A 67 3.440 -2.536 6.933 1.00 0.00 C ATOM 548 CD LYS A 67 2.711 -3.845 7.277 1.00 0.00 C ATOM 549 CE LYS A 67 3.283 -4.505 8.533 1.00 0.00 C ATOM 550 NZ LYS A 67 3.062 -3.663 9.724 1.00 0.00 N ATOM 0 H LYS A 67 0.856 -2.977 4.664 1.00 0.00 H new ATOM 0 HA LYS A 67 1.215 -1.155 6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.991 -2.455 4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.556 -0.937 5.505 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.496 -2.758 6.779 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.377 -1.868 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.650 -3.641 7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.789 -4.535 6.437 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.816 -5.479 8.681 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.351 -4.680 8.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.978 -3.413 10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.560 -2.795 9.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.491 -4.187 10.418 1.00 0.00 H new ATOM 551 N CYS A 68 0.694 0.224 4.019 1.00 0.00 N ATOM 552 CA CYS A 68 0.259 1.553 3.527 1.00 0.00 C ATOM 553 C CYS A 68 -1.067 1.991 4.180 1.00 0.00 C ATOM 554 O CYS A 68 -1.238 3.158 4.529 1.00 0.00 O ATOM 555 CB CYS A 68 0.230 1.626 1.991 1.00 0.00 C ATOM 556 SG CYS A 68 0.693 3.264 1.323 1.00 0.00 S ATOM 0 H CYS A 68 0.514 -0.552 3.381 1.00 0.00 H new ATOM 0 HA CYS A 68 1.011 2.278 3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.908 0.874 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.771 1.371 1.643 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.357 4.030 1.287 1.00 0.00 H new ATOM 557 N PHE A 69 -1.911 1.011 4.499 1.00 0.00 N ATOM 558 CA PHE A 69 -3.048 1.072 5.459 1.00 0.00 C ATOM 559 C PHE A 69 -2.771 1.626 6.857 1.00 0.00 C ATOM 560 O PHE A 69 -3.684 2.062 7.546 1.00 0.00 O ATOM 561 CB PHE A 69 -3.741 -0.269 5.657 1.00 0.00 C ATOM 562 CG PHE A 69 -4.947 -0.502 4.759 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.020 0.402 4.938 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.107 -1.661 3.941 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.236 0.194 4.280 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.329 -1.890 3.302 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.340 -0.937 3.437 1.00 0.00 C ATOM 0 H PHE A 69 -1.826 0.087 4.075 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.680 1.795 4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.017 -1.065 5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.059 -0.348 6.697 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.899 1.257 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.290 -2.356 3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.066 0.873 4.411 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.487 -2.784 2.717 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.249 -1.070 2.868 1.00 0.00 H new ATOM 568 N GLU A 70 -1.538 1.453 7.311 1.00 0.00 N ATOM 569 CA GLU A 70 -1.042 2.163 8.515 1.00 0.00 C ATOM 570 C GLU A 70 -1.239 3.693 8.455 1.00 0.00 C ATOM 571 O GLU A 70 -1.429 4.343 9.486 1.00 0.00 O ATOM 572 CB GLU A 70 0.421 1.828 8.719 1.00 0.00 C ATOM 573 CG GLU A 70 0.478 0.405 9.284 1.00 0.00 C ATOM 574 CD GLU A 70 1.815 0.092 9.945 1.00 0.00 C ATOM 575 OE1 GLU A 70 1.985 0.497 11.116 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.617 -0.644 9.307 1.00 0.00 O ATOM 0 H GLU A 70 -0.854 0.833 6.877 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.637 1.819 9.361 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.966 1.892 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.887 2.535 9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.323 0.274 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.298 -0.309 8.480 1.00 0.00 H new ATOM 577 N VAL A 71 -1.350 4.187 7.235 1.00 0.00 N ATOM 578 CA VAL A 71 -1.688 5.584 6.912 1.00 0.00 C ATOM 579 C VAL A 71 -3.057 5.520 6.201 1.00 0.00 C ATOM 580 O VAL A 71 -3.119 5.692 4.990 1.00 0.00 O ATOM 581 CB VAL A 71 -0.550 6.180 6.067 1.00 0.00 C ATOM 582 CG1 VAL A 71 -0.751 7.698 5.876 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.830 5.996 6.689 1.00 0.00 C ATOM 0 H VAL A 71 -1.204 3.615 6.403 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.779 6.242 7.776 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.589 5.640 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.065 8.100 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.699 7.879 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.761 8.189 6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.584 6.440 6.039 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.858 6.483 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.036 4.932 6.809 1.00 0.00 H new ATOM 584 N GLY A 72 -3.990 4.868 6.910 1.00 0.00 N ATOM 585 CA GLY A 72 -5.408 4.572 6.565 1.00 0.00 C ATOM 586 C GLY A 72 -6.016 5.411 5.459 1.00 0.00 C ATOM 587 O GLY A 72 -6.504 6.537 5.603 1.00 0.00 O ATOM 0 H GLY A 72 -3.759 4.494 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.479 3.523 6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.013 4.698 7.463 1.00 0.00 H new ATOM 588 N MET A 73 -5.691 4.832 4.329 1.00 0.00 N ATOM 589 CA MET A 73 -6.101 5.266 2.989 1.00 0.00 C ATOM 590 C MET A 73 -7.497 4.660 2.799 1.00 0.00 C ATOM 591 O MET A 73 -7.744 3.510 3.179 1.00 0.00 O ATOM 592 CB MET A 73 -5.206 4.553 1.957 1.00 0.00 C ATOM 593 CG MET A 73 -3.960 3.824 2.444 1.00 0.00 C ATOM 594 SD MET A 73 -2.365 4.177 1.618 1.00 0.00 S ATOM 595 CE MET A 73 -2.659 3.910 -0.115 1.00 0.00 C ATOM 0 H MET A 73 -5.102 4.000 4.303 1.00 0.00 H new ATOM 0 HA MET A 73 -6.054 6.349 2.877 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.826 3.829 1.427 1.00 0.00 H new ATOM 0 HB3 MET A 73 -4.889 5.297 1.226 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.840 4.044 3.505 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.148 2.754 2.360 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.023 4.576 -0.699 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.430 2.875 -0.368 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.705 4.116 -0.343 1.00 0.00 H new ATOM 596 N SER A 74 -8.331 5.375 2.066 1.00 0.00 N ATOM 597 CA SER A 74 -9.663 4.817 1.801 1.00 0.00 C ATOM 598 C SER A 74 -10.001 4.348 0.393 1.00 0.00 C ATOM 599 O SER A 74 -10.957 4.760 -0.281 1.00 0.00 O ATOM 600 CB SER A 74 -10.765 5.713 2.421 1.00 0.00 C ATOM 601 OG SER A 74 -12.054 5.142 2.201 1.00 0.00 O ATOM 0 H SER A 74 -8.137 6.290 1.660 1.00 0.00 H new ATOM 0 HA SER A 74 -9.625 3.854 2.311 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.589 5.828 3.491 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.722 6.710 1.981 1.00 0.00 H new ATOM 0 HG SER A 74 -12.739 5.718 2.599 1.00 0.00 H new ATOM 602 N LYS A 75 -9.232 3.317 0.074 1.00 0.00 N ATOM 603 CA LYS A 75 -9.848 2.025 -0.275 1.00 0.00 C ATOM 604 C LYS A 75 -9.721 1.202 1.009 1.00 0.00 C ATOM 605 O LYS A 75 -8.684 0.677 1.364 1.00 0.00 O ATOM 606 CB LYS A 75 -9.264 1.378 -1.525 1.00 0.00 C ATOM 607 CG LYS A 75 -9.289 2.316 -2.742 1.00 0.00 C ATOM 608 CD LYS A 75 -10.650 2.926 -3.146 1.00 0.00 C ATOM 609 CE LYS A 75 -11.583 1.924 -3.814 1.00 0.00 C ATOM 610 NZ LYS A 75 -12.189 2.513 -5.010 1.00 0.00 N ATOM 0 H LYS A 75 -8.213 3.335 0.047 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.891 2.126 -0.576 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.236 1.074 -1.326 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.825 0.473 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.597 3.136 -2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.900 1.766 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.137 3.330 -2.259 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.479 3.762 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.029 1.025 -4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.362 1.620 -3.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.203 2.285 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.067 3.546 -4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.728 2.128 -5.859 1.00 0.00 H new ATOM 611 N GLU A 76 -10.834 1.145 1.715 1.00 0.00 N ATOM 612 CA GLU A 76 -10.827 1.090 3.178 1.00 0.00 C ATOM 613 C GLU A 76 -11.288 -0.333 3.595 1.00 0.00 C ATOM 614 O GLU A 76 -10.524 -1.286 3.484 1.00 0.00 O ATOM 615 CB GLU A 76 -11.759 2.230 3.575 1.00 0.00 C ATOM 616 CG GLU A 76 -11.650 2.604 5.052 1.00 0.00 C ATOM 617 CD GLU A 76 -12.397 3.907 5.353 1.00 0.00 C ATOM 618 OE1 GLU A 76 -13.644 3.838 5.400 1.00 0.00 O ATOM 619 OE2 GLU A 76 -11.702 4.911 5.611 1.00 0.00 O ATOM 0 H GLU A 76 -11.766 1.135 1.301 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.866 1.228 3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.532 3.106 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.787 1.945 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.057 1.799 5.664 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.600 2.713 5.325 1.00 0.00 H new ATOM 620 N SER A 77 -12.577 -0.472 3.882 1.00 0.00 N ATOM 621 CA SER A 77 -13.281 -1.756 3.755 1.00 0.00 C ATOM 622 C SER A 77 -14.230 -1.529 2.585 1.00 0.00 C ATOM 623 O SER A 77 -15.384 -1.126 2.685 1.00 0.00 O ATOM 624 CB SER A 77 -14.053 -2.117 5.033 1.00 0.00 C ATOM 625 OG SER A 77 -14.561 -3.448 4.929 1.00 0.00 O ATOM 0 H SER A 77 -13.167 0.294 4.208 1.00 0.00 H new ATOM 0 HA SER A 77 -12.597 -2.589 3.596 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.398 -2.034 5.901 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.873 -1.415 5.184 1.00 0.00 H new ATOM 0 HG SER A 77 -15.249 -3.482 4.231 1.00 0.00 H new ATOM 626 N VAL A 78 -13.586 -1.680 1.433 1.00 0.00 N ATOM 627 CA VAL A 78 -14.057 -1.179 0.144 1.00 0.00 C ATOM 628 C VAL A 78 -14.483 -2.271 -0.817 1.00 0.00 C ATOM 629 O VAL A 78 -13.846 -3.312 -0.938 1.00 0.00 O ATOM 630 CB VAL A 78 -12.992 -0.200 -0.362 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.163 -0.557 -1.576 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.354 1.274 -0.267 1.00 0.00 C ATOM 0 H VAL A 78 -12.694 -2.170 1.367 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.997 -0.637 0.249 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.256 -0.381 0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.463 0.251 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.609 -1.475 -1.381 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.819 -0.704 -2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.531 1.876 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.251 1.467 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.540 1.537 0.774 1.00 0.00 H new ATOM 633 N ARG A 79 -15.694 -2.115 -1.318 1.00 0.00 N ATOM 634 CA ARG A 79 -16.647 -1.028 -0.961 1.00 0.00 C ATOM 635 C ARG A 79 -17.878 -1.624 -0.247 1.00 0.00 C ATOM 636 O ARG A 79 -18.998 -1.637 -0.741 1.00 0.00 O ATOM 637 CB ARG A 79 -17.069 -0.252 -2.215 1.00 0.00 C ATOM 638 CG ARG A 79 -15.920 0.500 -2.874 1.00 0.00 C ATOM 639 CD ARG A 79 -16.491 1.439 -3.949 1.00 0.00 C ATOM 640 NE ARG A 79 -15.457 2.223 -4.642 1.00 0.00 N ATOM 641 CZ ARG A 79 -14.926 3.383 -4.246 1.00 0.00 C ATOM 642 NH1 ARG A 79 -15.164 3.912 -3.054 1.00 0.00 N ATOM 643 NH2 ARG A 79 -14.356 4.181 -5.141 1.00 0.00 N ATOM 0 H ARG A 79 -16.076 -2.756 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.153 -0.332 -0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.500 -0.947 -2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -17.853 0.457 -1.948 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.367 1.072 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.217 -0.203 -3.322 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.043 0.849 -4.681 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -17.205 2.120 -3.485 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.108 1.839 -5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -15.776 3.430 -2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -14.736 4.801 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -14.326 3.907 -6.123 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -13.948 5.068 -4.847 1.00 0.00 H new ATOM 644 N ASN A 80 -17.600 -2.158 0.942 1.00 0.00 N ATOM 645 CA ASN A 80 -18.545 -3.047 1.648 1.00 0.00 C ATOM 646 C ASN A 80 -18.900 -2.646 3.094 1.00 0.00 C ATOM 647 O ASN A 80 -18.543 -1.505 3.481 1.00 0.00 O ATOM 648 CB ASN A 80 -17.956 -4.457 1.506 1.00 0.00 C ATOM 649 CG ASN A 80 -16.778 -4.760 2.452 1.00 0.00 C ATOM 650 OD1 ASN A 80 -15.912 -3.940 2.716 1.00 0.00 O ATOM 651 ND2 ASN A 80 -16.778 -5.936 3.031 1.00 0.00 N ATOM 652 OXT ASN A 80 -19.486 -3.496 3.798 1.00 0.00 O ATOM 0 H ASN A 80 -16.727 -1.995 1.444 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.532 -2.976 1.191 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.746 -5.186 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -17.623 -4.595 0.477 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -16.052 -6.172 3.707 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -17.504 -6.616 2.805 1.00 0.00 H new