USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 565 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 42 SER OG : rot 138:sc= -0.132! USER MOD Set 1.2: A 59 HIS : no HD1:sc= -12.8! C(o=-13!,f=-9.5!) USER MOD Set 2.1: A 6 THR OG1 : rot 94:sc= -0.991 USER MOD Set 2.2: A 17 HIS : no HE2:sc= -5.52 K(o=-6.5,f=-4.9!) USER MOD Set 3.1: A 7 CYS SG : rot 27:sc= -1.11! USER MOD Set 3.2: A 12 CYS SG : rot -170:sc= -12.6! USER MOD Set 3.3: A 62 CYS SG : rot 151:sc= -1.29! USER MOD Set 3.4: A 65 HIS : no HD1:sc= -11.8! C(o=-27!,f=-35!) USER MOD Single : A 8 CYS SG : rot -40:sc= 0.347! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -21.7! C(o=-22!,f=-31!) USER MOD Single : A 15 ASN : amide:sc= -12.9! C(o=-13!,f=-24!) USER MOD Single : A 16 SER OG : rot -175:sc= -2! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 29 LYS NZ :NH3+ 153:sc= -1.4 (180deg=-3.01!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= -0.0106 (180deg=-0.0106) USER MOD Single : A 40 ASN : amide:sc= -4.01 K(o=-4,f=-9.1!) USER MOD Single : A 52 THR OG1 : rot -59:sc= 0.745 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 178:sc= 0.0909 USER MOD Single : A 67 GLN : amide:sc= -3.12! K(o=-3.1!,f=-1.6) USER MOD Single : A 71 LYS NZ :NH3+ -115:sc= 0.115 (180deg=-1.91!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.354 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 78:sc= -0.0476! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.673 USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 3.899 12.666 1.088 1.00 0.00 N ATOM 36 CA GLY A 4 3.063 11.708 0.389 1.00 0.00 C ATOM 37 C GLY A 4 3.888 10.640 -0.331 1.00 0.00 C ATOM 38 O GLY A 4 5.117 10.674 -0.269 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.391 11.228 1.100 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.439 12.232 -0.335 1.00 0.00 H new ATOM 42 N PHE A 5 3.232 9.680 -1.009 1.00 0.00 N ATOM 43 CA PHE A 5 3.961 8.617 -1.707 1.00 0.00 C ATOM 44 C PHE A 5 3.154 7.983 -2.858 1.00 0.00 C ATOM 45 O PHE A 5 3.713 7.656 -3.901 1.00 0.00 O ATOM 46 CB PHE A 5 4.367 7.540 -0.707 1.00 0.00 C ATOM 47 CG PHE A 5 5.101 8.068 0.491 1.00 0.00 C ATOM 48 CD1 PHE A 5 6.449 8.380 0.416 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.440 8.253 1.695 1.00 0.00 C ATOM 50 CE1 PHE A 5 7.124 8.867 1.520 1.00 0.00 C ATOM 51 CE2 PHE A 5 5.110 8.739 2.801 1.00 0.00 C ATOM 52 CZ PHE A 5 6.453 9.046 2.714 1.00 0.00 C ATOM 0 H PHE A 5 2.217 9.622 -1.085 1.00 0.00 H new ATOM 0 HA PHE A 5 4.842 9.075 -2.157 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.473 7.015 -0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.996 6.807 -1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.978 8.241 -0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.389 8.015 1.769 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.175 9.107 1.449 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.583 8.879 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.978 9.426 3.578 1.00 0.00 H new ATOM 62 N THR A 6 1.848 7.810 -2.650 1.00 0.00 N ATOM 63 CA THR A 6 0.937 7.212 -3.652 1.00 0.00 C ATOM 64 C THR A 6 0.800 5.682 -3.488 1.00 0.00 C ATOM 65 O THR A 6 1.716 4.935 -3.824 1.00 0.00 O ATOM 66 CB THR A 6 1.397 7.540 -5.075 1.00 0.00 C ATOM 67 OG1 THR A 6 1.912 8.858 -5.146 1.00 0.00 O ATOM 68 CG2 THR A 6 0.295 7.423 -6.105 1.00 0.00 C ATOM 0 H THR A 6 1.382 8.078 -1.783 1.00 0.00 H new ATOM 0 HA THR A 6 -0.044 7.654 -3.478 1.00 0.00 H new ATOM 0 HB THR A 6 2.166 6.802 -5.304 1.00 0.00 H new ATOM 0 HG1 THR A 6 2.885 8.835 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.690 7.669 -7.090 1.00 0.00 H new ATOM 0 HG22 THR A 6 -0.089 6.403 -6.113 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.511 8.113 -5.855 1.00 0.00 H new ATOM 76 N CYS A 7 -0.370 5.224 -2.989 1.00 0.00 N ATOM 77 CA CYS A 7 -0.642 3.791 -2.814 1.00 0.00 C ATOM 78 C CYS A 7 -0.942 3.189 -4.181 1.00 0.00 C ATOM 79 O CYS A 7 -1.249 2.000 -4.291 1.00 0.00 O ATOM 80 CB CYS A 7 -1.864 3.512 -1.894 1.00 0.00 C ATOM 81 SG CYS A 7 -3.131 2.429 -2.631 1.00 0.00 S ATOM 0 H CYS A 7 -1.138 5.831 -2.702 1.00 0.00 H new ATOM 0 HA CYS A 7 0.237 3.349 -2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.510 3.059 -0.968 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.327 4.462 -1.627 1.00 0.00 H new ATOM 0 HG CYS A 7 -2.577 1.651 -3.513 1.00 0.00 H new ATOM 86 N CYS A 8 -0.930 4.021 -5.219 1.00 0.00 N ATOM 87 CA CYS A 8 -1.291 3.544 -6.532 1.00 0.00 C ATOM 88 C CYS A 8 -2.765 3.155 -6.436 1.00 0.00 C ATOM 89 O CYS A 8 -3.223 2.171 -7.007 1.00 0.00 O ATOM 90 CB CYS A 8 -0.386 2.371 -6.936 1.00 0.00 C ATOM 91 SG CYS A 8 -0.936 1.452 -8.396 1.00 0.00 S ATOM 0 H CYS A 8 -0.678 5.008 -5.170 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.154 4.297 -7.308 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.618 2.753 -7.122 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.314 1.680 -6.096 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.229 1.323 -8.366 1.00 0.00 H new ATOM 97 N VAL A 9 -3.473 3.970 -5.640 1.00 0.00 N ATOM 98 CA VAL A 9 -4.893 3.801 -5.344 1.00 0.00 C ATOM 99 C VAL A 9 -5.756 4.206 -6.537 1.00 0.00 C ATOM 100 O VAL A 9 -5.985 5.392 -6.774 1.00 0.00 O ATOM 101 CB VAL A 9 -5.269 4.676 -4.103 1.00 0.00 C ATOM 102 CG1 VAL A 9 -4.561 6.005 -4.170 1.00 0.00 C ATOM 103 CG2 VAL A 9 -6.766 4.920 -3.968 1.00 0.00 C ATOM 0 H VAL A 9 -3.061 4.780 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.080 2.749 -5.131 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.950 4.112 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.831 6.605 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.483 5.843 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.857 6.529 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.957 5.533 -3.087 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.132 5.436 -4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.282 3.966 -3.864 1.00 0.00 H new ATOM 113 N PRO A 10 -6.268 3.217 -7.294 1.00 0.00 N ATOM 114 CA PRO A 10 -7.128 3.475 -8.449 1.00 0.00 C ATOM 115 C PRO A 10 -8.545 3.801 -8.000 1.00 0.00 C ATOM 116 O PRO A 10 -9.189 4.711 -8.517 1.00 0.00 O ATOM 117 CB PRO A 10 -7.092 2.151 -9.204 1.00 0.00 C ATOM 118 CG PRO A 10 -6.915 1.124 -8.138 1.00 0.00 C ATOM 119 CD PRO A 10 -6.061 1.769 -7.076 1.00 0.00 C ATOM 0 HA PRO A 10 -6.802 4.323 -9.051 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.012 1.988 -9.765 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.272 2.125 -9.922 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.878 0.815 -7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.435 0.229 -8.534 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -6.369 1.466 -6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -5.012 1.493 -7.183 1.00 0.00 H new ATOM 127 N GLY A 11 -9.001 3.047 -7.009 1.00 0.00 N ATOM 128 CA GLY A 11 -10.320 3.243 -6.452 1.00 0.00 C ATOM 129 C GLY A 11 -10.362 2.893 -4.976 1.00 0.00 C ATOM 130 O GLY A 11 -11.438 2.812 -4.384 1.00 0.00 O ATOM 0 H GLY A 11 -8.469 2.292 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.623 4.281 -6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.039 2.628 -6.993 1.00 0.00 H new ATOM 134 N CYS A 12 -9.184 2.681 -4.376 1.00 0.00 N ATOM 135 CA CYS A 12 -9.104 2.337 -2.965 1.00 0.00 C ATOM 136 C CYS A 12 -9.731 3.443 -2.114 1.00 0.00 C ATOM 137 O CYS A 12 -10.439 4.307 -2.632 1.00 0.00 O ATOM 138 CB CYS A 12 -7.642 1.996 -2.561 1.00 0.00 C ATOM 139 SG CYS A 12 -6.719 3.243 -1.609 1.00 0.00 S ATOM 0 H CYS A 12 -8.282 2.743 -4.849 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.684 1.434 -2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.660 1.075 -1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.082 1.786 -3.472 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.468 2.896 -1.538 1.00 0.00 H new ATOM 144 N TYR A 13 -9.498 3.394 -0.815 1.00 0.00 N ATOM 145 CA TYR A 13 -10.064 4.362 0.104 1.00 0.00 C ATOM 146 C TYR A 13 -9.412 5.736 -0.048 1.00 0.00 C ATOM 147 O TYR A 13 -10.042 6.734 -0.399 1.00 0.00 O ATOM 148 CB TYR A 13 -9.875 3.863 1.541 1.00 0.00 C ATOM 149 CG TYR A 13 -11.107 4.014 2.409 1.00 0.00 C ATOM 150 CD1 TYR A 13 -12.369 3.704 1.918 1.00 0.00 C ATOM 151 CD2 TYR A 13 -11.007 4.463 3.720 1.00 0.00 C ATOM 152 CE1 TYR A 13 -13.496 3.838 2.708 1.00 0.00 C ATOM 153 CE2 TYR A 13 -12.129 4.600 4.516 1.00 0.00 C ATOM 154 CZ TYR A 13 -13.371 4.286 4.006 1.00 0.00 C ATOM 155 OH TYR A 13 -14.489 4.418 4.796 1.00 0.00 O ATOM 0 H TYR A 13 -8.914 2.686 -0.370 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.124 4.468 -0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.587 2.812 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -9.050 4.409 1.999 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.472 3.352 0.902 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -10.036 4.709 4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -14.470 3.593 2.310 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.033 4.951 5.533 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.227 4.744 5.682 1.00 0.00 H new ATOM 165 N ASN A 14 -8.161 5.738 0.331 1.00 0.00 N ATOM 166 CA ASN A 14 -7.285 6.894 0.405 1.00 0.00 C ATOM 167 C ASN A 14 -5.984 6.676 -0.394 1.00 0.00 C ATOM 168 O ASN A 14 -5.667 5.539 -0.725 1.00 0.00 O ATOM 169 CB ASN A 14 -6.977 7.168 1.833 1.00 0.00 C ATOM 170 CG ASN A 14 -7.511 6.055 2.723 1.00 0.00 C ATOM 171 OD1 ASN A 14 -8.567 6.169 3.338 1.00 0.00 O ATOM 172 ND2 ASN A 14 -6.799 4.948 2.745 1.00 0.00 N ATOM 0 H ASN A 14 -7.689 4.880 0.616 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.793 7.749 -0.040 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -5.899 7.261 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.418 8.120 2.129 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.120 4.146 3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.926 4.893 2.220 1.00 0.00 H new ATOM 179 N ASN A 15 -5.237 7.737 -0.745 1.00 0.00 N ATOM 180 CA ASN A 15 -4.025 7.543 -1.545 1.00 0.00 C ATOM 181 C ASN A 15 -2.754 7.704 -0.662 1.00 0.00 C ATOM 182 O ASN A 15 -2.857 8.206 0.456 1.00 0.00 O ATOM 183 CB ASN A 15 -4.022 8.597 -2.663 1.00 0.00 C ATOM 184 CG ASN A 15 -3.019 8.328 -3.764 1.00 0.00 C ATOM 185 OD1 ASN A 15 -2.094 7.537 -3.604 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.215 8.993 -4.900 1.00 0.00 N ATOM 0 H ASN A 15 -5.444 8.704 -0.496 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.016 6.538 -1.966 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.019 8.650 -3.100 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.813 9.574 -2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.581 8.856 -5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.999 9.640 -4.983 1.00 0.00 H new ATOM 193 N SER A 16 -1.557 7.233 -1.124 1.00 0.00 N ATOM 194 CA SER A 16 -0.355 7.304 -0.314 1.00 0.00 C ATOM 195 C SER A 16 0.313 8.698 -0.398 1.00 0.00 C ATOM 196 O SER A 16 1.292 8.944 0.303 1.00 0.00 O ATOM 197 CB SER A 16 0.638 6.133 -0.688 1.00 0.00 C ATOM 198 OG SER A 16 1.713 6.077 0.231 1.00 0.00 O ATOM 0 H SER A 16 -1.425 6.810 -2.043 1.00 0.00 H new ATOM 0 HA SER A 16 -0.640 7.168 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.104 5.183 -0.689 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.023 6.284 -1.697 1.00 0.00 H new ATOM 0 HG SER A 16 2.357 5.399 -0.060 1.00 0.00 H new ATOM 204 N HIS A 17 -0.220 9.619 -1.242 1.00 0.00 N ATOM 205 CA HIS A 17 0.346 10.973 -1.377 1.00 0.00 C ATOM 206 C HIS A 17 -0.733 12.029 -1.652 1.00 0.00 C ATOM 207 O HIS A 17 -0.416 13.207 -1.816 1.00 0.00 O ATOM 208 CB HIS A 17 1.396 11.026 -2.510 1.00 0.00 C ATOM 209 CG HIS A 17 0.893 11.602 -3.801 1.00 0.00 C ATOM 210 ND1 HIS A 17 1.096 12.917 -4.170 1.00 0.00 N ATOM 211 CD2 HIS A 17 0.198 11.033 -4.814 1.00 0.00 C ATOM 212 CE1 HIS A 17 0.547 13.130 -5.352 1.00 0.00 C ATOM 213 NE2 HIS A 17 -0.004 12.003 -5.766 1.00 0.00 N ATOM 0 H HIS A 17 -1.034 9.444 -1.832 1.00 0.00 H new ATOM 0 HA HIS A 17 0.820 11.201 -0.423 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.247 11.616 -2.171 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.762 10.016 -2.696 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.592 13.615 -3.616 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.136 10.007 -4.864 1.00 0.00 H new ATOM 0 HE1 HIS A 17 0.548 14.067 -5.889 1.00 0.00 H new ATOM 222 N ARG A 18 -1.993 11.615 -1.737 1.00 0.00 N ATOM 223 CA ARG A 18 -3.076 12.550 -2.033 1.00 0.00 C ATOM 224 C ARG A 18 -4.099 12.596 -0.905 1.00 0.00 C ATOM 225 O ARG A 18 -5.294 12.787 -1.131 1.00 0.00 O ATOM 226 CB ARG A 18 -3.725 12.160 -3.358 1.00 0.00 C ATOM 227 CG ARG A 18 -2.702 11.743 -4.396 1.00 0.00 C ATOM 228 CD ARG A 18 -3.259 11.827 -5.808 1.00 0.00 C ATOM 229 NE ARG A 18 -2.625 12.894 -6.581 1.00 0.00 N ATOM 230 CZ ARG A 18 -2.581 12.923 -7.913 1.00 0.00 C ATOM 231 NH1 ARG A 18 -3.136 11.951 -8.625 1.00 0.00 N ATOM 232 NH2 ARG A 18 -1.980 13.930 -8.534 1.00 0.00 N ATOM 0 H ARG A 18 -2.289 10.648 -1.607 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.663 13.555 -2.120 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.425 11.341 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.304 13.001 -3.739 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.822 12.381 -4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.376 10.723 -4.195 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.110 10.874 -6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.334 12.000 -5.765 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.190 13.662 -6.070 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.600 11.175 -8.154 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.098 11.980 -9.644 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.552 14.681 -7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.946 13.953 -9.553 1.00 0.00 H new ATOM 246 N ASP A 19 -3.600 12.439 0.312 1.00 0.00 N ATOM 247 CA ASP A 19 -4.436 12.477 1.509 1.00 0.00 C ATOM 248 C ASP A 19 -3.568 12.453 2.774 1.00 0.00 C ATOM 249 O ASP A 19 -3.480 13.445 3.496 1.00 0.00 O ATOM 250 CB ASP A 19 -5.470 11.330 1.476 1.00 0.00 C ATOM 251 CG ASP A 19 -5.666 10.639 2.808 1.00 0.00 C ATOM 252 OD1 ASP A 19 -6.062 11.319 3.775 1.00 0.00 O ATOM 253 OD2 ASP A 19 -5.424 9.416 2.884 1.00 0.00 O ATOM 0 H ASP A 19 -2.610 12.282 0.500 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.995 13.412 1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.428 11.728 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.155 10.592 0.738 1.00 0.00 H new ATOM 258 N LYS A 20 -2.922 11.324 3.024 1.00 0.00 N ATOM 259 CA LYS A 20 -2.043 11.163 4.191 1.00 0.00 C ATOM 260 C LYS A 20 -2.798 11.340 5.513 1.00 0.00 C ATOM 261 O LYS A 20 -2.192 11.497 6.574 1.00 0.00 O ATOM 262 CB LYS A 20 -0.891 12.167 4.110 1.00 0.00 C ATOM 263 CG LYS A 20 -0.191 12.180 2.761 1.00 0.00 C ATOM 264 CD LYS A 20 0.931 13.205 2.727 1.00 0.00 C ATOM 265 CE LYS A 20 0.967 13.951 1.402 1.00 0.00 C ATOM 266 NZ LYS A 20 0.235 15.247 1.472 1.00 0.00 N ATOM 0 H LYS A 20 -2.986 10.495 2.434 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.653 10.145 4.173 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.274 13.165 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.162 11.935 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.213 11.190 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.914 12.404 1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.800 13.916 3.542 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.886 12.706 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.003 14.135 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.528 13.328 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.284 15.724 0.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.760 15.071 1.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.670 15.852 2.197 1.00 0.00 H new ATOM 280 N ALA A 21 -4.121 11.322 5.434 1.00 0.00 N ATOM 281 CA ALA A 21 -4.985 11.490 6.618 1.00 0.00 C ATOM 282 C ALA A 21 -5.731 10.197 7.063 1.00 0.00 C ATOM 283 O ALA A 21 -5.694 9.858 8.244 1.00 0.00 O ATOM 284 CB ALA A 21 -5.975 12.630 6.390 1.00 0.00 C ATOM 0 H ALA A 21 -4.632 11.192 4.561 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.315 11.734 7.442 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.607 12.744 7.271 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.429 13.556 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.597 12.404 5.524 1.00 0.00 H new ATOM 290 N LEU A 22 -6.424 9.497 6.141 1.00 0.00 N ATOM 291 CA LEU A 22 -7.179 8.282 6.463 1.00 0.00 C ATOM 292 C LEU A 22 -6.250 7.234 7.179 1.00 0.00 C ATOM 293 O LEU A 22 -5.315 7.654 7.860 1.00 0.00 O ATOM 294 CB LEU A 22 -7.860 7.806 5.142 1.00 0.00 C ATOM 295 CG LEU A 22 -8.346 8.919 4.184 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.553 8.455 3.378 1.00 0.00 C ATOM 297 CD2 LEU A 22 -8.698 10.187 4.932 1.00 0.00 C ATOM 0 H LEU A 22 -6.472 9.762 5.157 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.974 8.452 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.156 7.173 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.714 7.181 5.403 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.521 9.135 3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.875 9.256 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.282 7.579 2.788 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.366 8.198 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.035 10.945 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.494 9.979 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.819 10.552 5.463 1.00 0.00 H new ATOM 309 N HIS A 23 -6.481 5.896 7.105 1.00 0.00 N ATOM 310 CA HIS A 23 -5.634 4.953 7.830 1.00 0.00 C ATOM 311 C HIS A 23 -4.544 4.354 6.917 1.00 0.00 C ATOM 312 O HIS A 23 -4.796 4.126 5.734 1.00 0.00 O ATOM 313 CB HIS A 23 -6.513 3.816 8.357 1.00 0.00 C ATOM 314 CG HIS A 23 -6.364 3.569 9.824 1.00 0.00 C ATOM 315 ND1 HIS A 23 -5.292 2.893 10.369 1.00 0.00 N ATOM 316 CD2 HIS A 23 -7.162 3.906 10.866 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.438 2.827 11.681 1.00 0.00 C ATOM 318 NE2 HIS A 23 -6.564 3.434 12.007 1.00 0.00 N ATOM 0 H HIS A 23 -7.231 5.469 6.561 1.00 0.00 H new ATOM 0 HA HIS A 23 -5.143 5.485 8.645 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.556 4.046 8.141 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -6.270 2.901 7.817 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.096 4.446 10.809 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.752 2.356 12.370 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.930 3.536 12.954 1.00 0.00 H new ATOM 327 N PHE A 24 -3.325 4.098 7.450 1.00 0.00 N ATOM 328 CA PHE A 24 -2.254 3.541 6.635 1.00 0.00 C ATOM 329 C PHE A 24 -1.592 2.295 7.303 1.00 0.00 C ATOM 330 O PHE A 24 -1.171 2.386 8.455 1.00 0.00 O ATOM 331 CB PHE A 24 -1.192 4.616 6.393 1.00 0.00 C ATOM 332 CG PHE A 24 -1.674 5.793 5.574 1.00 0.00 C ATOM 333 CD1 PHE A 24 -1.584 5.789 4.187 1.00 0.00 C ATOM 334 CD2 PHE A 24 -2.200 6.916 6.198 1.00 0.00 C ATOM 335 CE1 PHE A 24 -2.006 6.873 3.443 1.00 0.00 C ATOM 336 CE2 PHE A 24 -2.627 8.004 5.455 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.531 7.982 4.075 1.00 0.00 C ATOM 0 H PHE A 24 -3.076 4.269 8.424 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.690 3.215 5.691 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.834 4.980 7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.340 4.161 5.888 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.178 4.924 3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.277 6.942 7.275 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -1.925 6.853 2.366 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.035 8.871 5.953 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.866 8.829 3.495 1.00 0.00 H new ATOM 347 N TYR A 25 -1.456 1.148 6.589 1.00 0.00 N ATOM 348 CA TYR A 25 -0.797 -0.034 7.157 1.00 0.00 C ATOM 349 C TYR A 25 0.722 0.089 6.935 1.00 0.00 C ATOM 350 O TYR A 25 1.143 0.805 6.030 1.00 0.00 O ATOM 351 CB TYR A 25 -1.303 -1.340 6.516 1.00 0.00 C ATOM 352 CG TYR A 25 -2.681 -1.769 6.971 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.745 -0.877 6.985 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.913 -3.077 7.379 1.00 0.00 C ATOM 355 CE1 TYR A 25 -5.003 -1.276 7.396 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.166 -3.487 7.792 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.209 -2.582 7.799 1.00 0.00 C ATOM 358 OH TYR A 25 -6.461 -2.983 8.204 1.00 0.00 O ATOM 0 H TYR A 25 -1.792 1.027 5.634 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.031 -0.076 8.221 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.313 -1.218 5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.595 -2.138 6.740 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.587 0.144 6.670 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.099 -3.786 7.373 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.821 -0.571 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.329 -4.507 8.107 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.436 -3.930 8.454 1.00 0.00 H new ATOM 368 N THR A 26 1.556 -0.580 7.748 1.00 0.00 N ATOM 369 CA THR A 26 3.006 -0.473 7.581 1.00 0.00 C ATOM 370 C THR A 26 3.575 -1.741 6.928 1.00 0.00 C ATOM 371 O THR A 26 2.834 -2.686 6.652 1.00 0.00 O ATOM 372 CB THR A 26 3.699 -0.189 8.923 1.00 0.00 C ATOM 373 OG1 THR A 26 4.367 -1.343 9.406 1.00 0.00 O ATOM 374 CG2 THR A 26 2.749 0.273 10.009 1.00 0.00 C ATOM 0 H THR A 26 1.255 -1.187 8.510 1.00 0.00 H new ATOM 0 HA THR A 26 3.206 0.369 6.918 1.00 0.00 H new ATOM 0 HB THR A 26 4.403 0.615 8.709 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.801 -1.136 10.260 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.307 0.454 10.928 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.258 1.194 9.695 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.998 -0.497 10.187 1.00 0.00 H new ATOM 382 N PHE A 27 4.868 -1.716 6.589 1.00 0.00 N ATOM 383 CA PHE A 27 5.493 -2.814 5.862 1.00 0.00 C ATOM 384 C PHE A 27 6.109 -3.955 6.707 1.00 0.00 C ATOM 385 O PHE A 27 6.860 -3.688 7.645 1.00 0.00 O ATOM 386 CB PHE A 27 6.603 -2.232 5.009 1.00 0.00 C ATOM 387 CG PHE A 27 6.314 -2.164 3.542 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.015 -2.179 3.057 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.359 -2.084 2.642 1.00 0.00 C ATOM 390 CE1 PHE A 27 4.771 -2.119 1.702 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.121 -2.024 1.293 1.00 0.00 C ATOM 392 CZ PHE A 27 5.825 -2.042 0.817 1.00 0.00 C ATOM 0 H PHE A 27 5.498 -0.945 6.809 1.00 0.00 H new ATOM 0 HA PHE A 27 4.680 -3.278 5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.824 -1.226 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.504 -2.828 5.158 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.187 -2.238 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.376 -2.069 3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.756 -2.132 1.334 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.948 -1.963 0.602 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.638 -1.996 -0.246 1.00 0.00 H new ATOM 402 N PRO A 28 5.823 -5.254 6.367 1.00 0.00 N ATOM 403 CA PRO A 28 6.388 -6.421 7.082 1.00 0.00 C ATOM 404 C PRO A 28 7.890 -6.241 7.383 1.00 0.00 C ATOM 405 O PRO A 28 8.498 -5.269 6.938 1.00 0.00 O ATOM 406 CB PRO A 28 6.204 -7.535 6.027 1.00 0.00 C ATOM 407 CG PRO A 28 4.900 -7.196 5.425 1.00 0.00 C ATOM 408 CD PRO A 28 4.890 -5.703 5.298 1.00 0.00 C ATOM 0 HA PRO A 28 5.917 -6.604 8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.005 -7.530 5.288 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.196 -8.526 6.481 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.782 -7.673 4.452 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.078 -7.542 6.051 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.226 -5.382 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.889 -5.295 5.442 1.00 0.00 H new ATOM 416 N LYS A 29 8.490 -7.169 8.144 1.00 0.00 N ATOM 417 CA LYS A 29 9.911 -7.066 8.490 1.00 0.00 C ATOM 418 C LYS A 29 10.789 -7.737 7.440 1.00 0.00 C ATOM 419 O LYS A 29 11.985 -7.462 7.346 1.00 0.00 O ATOM 420 CB LYS A 29 10.189 -7.689 9.866 1.00 0.00 C ATOM 421 CG LYS A 29 8.941 -7.980 10.686 1.00 0.00 C ATOM 422 CD LYS A 29 9.291 -8.435 12.093 1.00 0.00 C ATOM 423 CE LYS A 29 9.568 -9.930 12.143 1.00 0.00 C ATOM 424 NZ LYS A 29 10.775 -10.300 11.354 1.00 0.00 N ATOM 0 H LYS A 29 8.018 -7.989 8.526 1.00 0.00 H new ATOM 0 HA LYS A 29 10.157 -6.005 8.523 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.742 -8.618 9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.833 -7.017 10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.321 -7.085 10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.350 -8.750 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.166 -7.890 12.446 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.471 -8.193 12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.704 -10.239 13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.704 -10.472 11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.196 -11.165 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.505 -10.467 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.469 -9.527 11.398 1.00 0.00 H new ATOM 438 N ASP A 30 10.186 -8.617 6.652 1.00 0.00 N ATOM 439 CA ASP A 30 10.908 -9.332 5.600 1.00 0.00 C ATOM 440 C ASP A 30 11.012 -8.452 4.353 1.00 0.00 C ATOM 441 O ASP A 30 9.994 -8.111 3.751 1.00 0.00 O ATOM 442 CB ASP A 30 10.182 -10.648 5.254 1.00 0.00 C ATOM 443 CG ASP A 30 8.955 -10.910 6.112 1.00 0.00 C ATOM 444 OD1 ASP A 30 9.111 -11.056 7.343 1.00 0.00 O ATOM 445 OD2 ASP A 30 7.841 -10.966 5.552 1.00 0.00 O ATOM 0 H ASP A 30 9.197 -8.855 6.719 1.00 0.00 H new ATOM 0 HA ASP A 30 11.910 -9.568 5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.884 -10.624 4.206 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.879 -11.478 5.368 1.00 0.00 H new ATOM 450 N ALA A 31 12.236 -8.060 3.978 1.00 0.00 N ATOM 451 CA ALA A 31 12.433 -7.200 2.825 1.00 0.00 C ATOM 452 C ALA A 31 11.562 -7.608 1.598 1.00 0.00 C ATOM 453 O ALA A 31 10.654 -6.881 1.236 1.00 0.00 O ATOM 454 CB ALA A 31 13.931 -7.104 2.501 1.00 0.00 C ATOM 0 H ALA A 31 13.095 -8.328 4.459 1.00 0.00 H new ATOM 0 HA ALA A 31 12.078 -6.202 3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 31 14.075 -6.458 1.635 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.462 -6.688 3.357 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.320 -8.098 2.281 1.00 0.00 H new ATOM 460 N GLU A 32 11.802 -8.756 0.957 1.00 0.00 N ATOM 461 CA GLU A 32 10.999 -9.141 -0.227 1.00 0.00 C ATOM 462 C GLU A 32 9.509 -9.046 -0.019 1.00 0.00 C ATOM 463 O GLU A 32 8.885 -8.251 -0.726 1.00 0.00 O ATOM 464 CB GLU A 32 11.419 -10.521 -0.755 1.00 0.00 C ATOM 465 CG GLU A 32 10.640 -10.981 -1.975 1.00 0.00 C ATOM 466 CD GLU A 32 9.590 -12.021 -1.639 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.202 -12.111 -0.454 1.00 0.00 O ATOM 468 OE2 GLU A 32 9.156 -12.746 -2.560 1.00 0.00 O ATOM 0 H GLU A 32 12.524 -9.425 1.222 1.00 0.00 H new ATOM 0 HA GLU A 32 11.222 -8.398 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.480 -10.496 -1.003 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.295 -11.256 0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.158 -10.121 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.332 -11.393 -2.709 1.00 0.00 H new ATOM 475 N LEU A 33 8.897 -9.789 0.907 1.00 0.00 N ATOM 476 CA LEU A 33 7.468 -9.642 1.066 1.00 0.00 C ATOM 477 C LEU A 33 7.097 -8.169 0.889 1.00 0.00 C ATOM 478 O LEU A 33 6.112 -7.815 0.241 1.00 0.00 O ATOM 479 CB LEU A 33 7.029 -10.142 2.452 1.00 0.00 C ATOM 480 CG LEU A 33 5.547 -10.497 2.599 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.838 -10.519 1.255 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.386 -11.836 3.274 1.00 0.00 C ATOM 0 H LEU A 33 9.350 -10.463 1.525 1.00 0.00 H new ATOM 0 HA LEU A 33 6.955 -10.240 0.313 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.620 -11.023 2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.273 -9.375 3.187 1.00 0.00 H new ATOM 0 HG LEU A 33 5.091 -9.722 3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.789 -10.775 1.401 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.910 -9.536 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.306 -11.262 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.326 -12.070 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.876 -12.606 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.840 -11.801 4.264 1.00 0.00 H new ATOM 494 N ARG A 34 7.964 -7.321 1.416 1.00 0.00 N ATOM 495 CA ARG A 34 7.788 -5.872 1.332 1.00 0.00 C ATOM 496 C ARG A 34 7.680 -5.422 -0.091 1.00 0.00 C ATOM 497 O ARG A 34 6.659 -4.850 -0.493 1.00 0.00 O ATOM 498 CB ARG A 34 8.910 -5.102 2.084 1.00 0.00 C ATOM 499 CG ARG A 34 10.118 -4.660 1.251 1.00 0.00 C ATOM 500 CD ARG A 34 9.838 -3.422 0.420 1.00 0.00 C ATOM 501 NE ARG A 34 10.265 -2.202 1.100 1.00 0.00 N ATOM 502 CZ ARG A 34 11.530 -1.796 1.168 1.00 0.00 C ATOM 503 NH1 ARG A 34 12.492 -2.502 0.587 1.00 0.00 N ATOM 504 NH2 ARG A 34 11.833 -0.679 1.815 1.00 0.00 N ATOM 0 H ARG A 34 8.807 -7.610 1.912 1.00 0.00 H new ATOM 0 HA ARG A 34 6.849 -5.634 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.468 -4.216 2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.270 -5.733 2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.959 -4.463 1.915 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.416 -5.475 0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.353 -3.503 -0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.771 -3.363 0.204 1.00 0.00 H new ATOM 0 HE ARG A 34 9.552 -1.628 1.549 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.263 -3.360 0.085 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.460 -2.186 0.642 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.096 -0.132 2.260 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.803 -0.367 1.868 1.00 0.00 H new ATOM 518 N ARG A 35 8.703 -5.706 -0.869 1.00 0.00 N ATOM 519 CA ARG A 35 8.677 -5.316 -2.246 1.00 0.00 C ATOM 520 C ARG A 35 7.430 -5.865 -2.878 1.00 0.00 C ATOM 521 O ARG A 35 6.806 -5.195 -3.699 1.00 0.00 O ATOM 522 CB ARG A 35 9.967 -5.720 -3.003 1.00 0.00 C ATOM 523 CG ARG A 35 10.090 -7.186 -3.412 1.00 0.00 C ATOM 524 CD ARG A 35 9.101 -7.564 -4.506 1.00 0.00 C ATOM 525 NE ARG A 35 9.763 -8.205 -5.641 1.00 0.00 N ATOM 526 CZ ARG A 35 9.279 -8.200 -6.882 1.00 0.00 C ATOM 527 NH1 ARG A 35 8.124 -7.603 -7.153 1.00 0.00 N ATOM 528 NH2 ARG A 35 9.952 -8.798 -7.857 1.00 0.00 N ATOM 0 H ARG A 35 9.546 -6.197 -0.570 1.00 0.00 H new ATOM 0 HA ARG A 35 8.652 -4.228 -2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.040 -5.108 -3.902 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.823 -5.468 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.105 -7.380 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.924 -7.819 -2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.347 -8.237 -4.097 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.578 -6.671 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 35 10.648 -8.684 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.600 -7.144 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.761 -7.604 -8.106 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.838 -9.261 -7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 35 9.583 -8.795 -8.808 1.00 0.00 H new ATOM 542 N LEU A 36 6.987 -7.043 -2.439 1.00 0.00 N ATOM 543 CA LEU A 36 5.754 -7.569 -3.018 1.00 0.00 C ATOM 544 C LEU A 36 4.621 -6.592 -2.802 1.00 0.00 C ATOM 545 O LEU A 36 3.934 -6.215 -3.759 1.00 0.00 O ATOM 546 CB LEU A 36 5.427 -8.975 -2.498 1.00 0.00 C ATOM 547 CG LEU A 36 6.430 -10.054 -2.909 1.00 0.00 C ATOM 548 CD1 LEU A 36 6.357 -11.246 -1.964 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.174 -10.491 -4.344 1.00 0.00 C ATOM 0 H LEU A 36 7.433 -7.622 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 36 5.899 -7.679 -4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.374 -8.943 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.438 -9.260 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 36 7.434 -9.634 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.079 -12.001 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.587 -10.921 -0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.353 -11.670 -1.991 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.895 -11.259 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.164 -10.893 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.280 -9.634 -5.010 1.00 0.00 H new ATOM 561 N TRP A 37 4.464 -6.105 -1.588 1.00 0.00 N ATOM 562 CA TRP A 37 3.430 -5.136 -1.344 1.00 0.00 C ATOM 563 C TRP A 37 3.660 -3.918 -2.211 1.00 0.00 C ATOM 564 O TRP A 37 2.691 -3.380 -2.775 1.00 0.00 O ATOM 565 CB TRP A 37 3.401 -4.746 0.117 1.00 0.00 C ATOM 566 CG TRP A 37 2.724 -5.775 0.953 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.705 -7.118 0.722 1.00 0.00 C ATOM 568 CD2 TRP A 37 1.956 -5.552 2.134 1.00 0.00 C ATOM 569 NE1 TRP A 37 2.007 -7.755 1.731 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.527 -6.805 2.604 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.603 -4.410 2.846 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.758 -6.935 3.764 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.849 -4.542 3.980 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.436 -5.784 4.436 1.00 0.00 C ATOM 0 H TRP A 37 5.027 -6.360 -0.776 1.00 0.00 H new ATOM 0 HA TRP A 37 2.466 -5.577 -1.597 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.421 -4.601 0.474 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.886 -3.792 0.228 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.166 -7.610 -0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.870 -8.762 1.815 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.919 -3.434 2.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.431 -7.902 4.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.569 -3.658 4.533 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.152 -5.847 5.340 1.00 0.00 H new ATOM 585 N LEU A 38 4.950 -3.508 -2.378 1.00 0.00 N ATOM 586 CA LEU A 38 5.250 -2.367 -3.213 1.00 0.00 C ATOM 587 C LEU A 38 4.275 -2.401 -4.387 1.00 0.00 C ATOM 588 O LEU A 38 3.510 -1.449 -4.609 1.00 0.00 O ATOM 589 CB LEU A 38 6.714 -2.399 -3.704 1.00 0.00 C ATOM 590 CG LEU A 38 7.751 -2.045 -2.641 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.145 -2.007 -3.251 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.418 -0.716 -1.985 1.00 0.00 C ATOM 0 H LEU A 38 5.760 -3.953 -1.948 1.00 0.00 H new ATOM 0 HA LEU A 38 5.137 -1.442 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.933 -3.396 -4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.818 -1.706 -4.539 1.00 0.00 H new ATOM 0 HG LEU A 38 7.731 -2.817 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.873 -1.753 -2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.386 -2.984 -3.670 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.176 -1.256 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.170 -0.484 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.407 0.070 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.438 -0.779 -1.512 1.00 0.00 H new ATOM 604 N LYS A 39 4.226 -3.555 -5.087 1.00 0.00 N ATOM 605 CA LYS A 39 3.340 -3.733 -6.198 1.00 0.00 C ATOM 606 C LYS A 39 1.937 -3.160 -5.958 1.00 0.00 C ATOM 607 O LYS A 39 1.538 -2.187 -6.608 1.00 0.00 O ATOM 608 CB LYS A 39 3.315 -5.240 -6.541 1.00 0.00 C ATOM 609 CG LYS A 39 4.242 -5.653 -7.683 1.00 0.00 C ATOM 610 CD LYS A 39 5.458 -4.743 -7.814 1.00 0.00 C ATOM 611 CE LYS A 39 5.274 -3.727 -8.931 1.00 0.00 C ATOM 612 NZ LYS A 39 6.243 -3.943 -10.042 1.00 0.00 N ATOM 0 H LYS A 39 4.805 -4.368 -4.879 1.00 0.00 H new ATOM 0 HA LYS A 39 3.713 -3.162 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.586 -5.806 -5.649 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.295 -5.522 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.576 -6.678 -7.521 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.684 -5.644 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.628 -4.223 -6.871 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.345 -5.345 -8.010 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.257 -3.793 -9.318 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.398 -2.721 -8.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.085 -3.231 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.213 -3.855 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.107 -4.894 -10.441 1.00 0.00 H new ATOM 626 N ASN A 40 1.202 -3.739 -5.024 1.00 0.00 N ATOM 627 CA ASN A 40 -0.169 -3.295 -4.755 1.00 0.00 C ATOM 628 C ASN A 40 -0.262 -1.821 -4.402 1.00 0.00 C ATOM 629 O ASN A 40 -1.192 -1.125 -4.811 1.00 0.00 O ATOM 630 CB ASN A 40 -0.817 -4.138 -3.640 1.00 0.00 C ATOM 631 CG ASN A 40 0.185 -4.863 -2.761 1.00 0.00 C ATOM 632 OD1 ASN A 40 0.641 -4.332 -1.749 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.530 -6.088 -3.148 1.00 0.00 N ATOM 0 H ASN A 40 1.521 -4.512 -4.440 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.716 -3.440 -5.687 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.431 -3.488 -3.016 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.486 -4.870 -4.093 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.199 -6.627 -2.598 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.126 -6.488 -3.995 1.00 0.00 H new ATOM 640 N VAL A 41 0.677 -1.370 -3.612 1.00 0.00 N ATOM 641 CA VAL A 41 0.703 0.008 -3.146 1.00 0.00 C ATOM 642 C VAL A 41 1.259 1.022 -4.130 1.00 0.00 C ATOM 643 O VAL A 41 1.045 2.204 -3.936 1.00 0.00 O ATOM 644 CB VAL A 41 1.416 0.188 -1.793 1.00 0.00 C ATOM 645 CG1 VAL A 41 2.728 0.932 -1.966 1.00 0.00 C ATOM 646 CG2 VAL A 41 0.513 0.954 -0.843 1.00 0.00 C ATOM 0 H VAL A 41 1.449 -1.941 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.360 0.221 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 41 1.633 -0.798 -1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.212 1.046 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.380 0.369 -2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.535 1.916 -2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.017 1.082 0.115 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.286 1.932 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.413 0.399 -0.694 1.00 0.00 H new ATOM 656 N SER A 42 2.049 0.614 -5.114 1.00 0.00 N ATOM 657 CA SER A 42 2.673 1.614 -6.003 1.00 0.00 C ATOM 658 C SER A 42 3.969 1.021 -6.628 1.00 0.00 C ATOM 659 O SER A 42 3.850 0.338 -7.643 1.00 0.00 O ATOM 660 CB SER A 42 2.917 2.973 -5.236 1.00 0.00 C ATOM 661 OG SER A 42 4.228 3.458 -5.451 1.00 0.00 O ATOM 0 H SER A 42 2.274 -0.359 -5.321 1.00 0.00 H new ATOM 0 HA SER A 42 1.997 1.851 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.193 3.716 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.753 2.825 -4.169 1.00 0.00 H new ATOM 0 HG SER A 42 4.199 4.427 -5.596 1.00 0.00 H new ATOM 667 N ARG A 43 5.197 1.226 -6.042 1.00 0.00 N ATOM 668 CA ARG A 43 6.428 0.630 -6.604 1.00 0.00 C ATOM 669 C ARG A 43 7.179 1.584 -7.547 1.00 0.00 C ATOM 670 O ARG A 43 7.324 1.286 -8.733 1.00 0.00 O ATOM 671 CB ARG A 43 6.130 -0.677 -7.354 1.00 0.00 C ATOM 672 CG ARG A 43 7.382 -1.396 -7.837 1.00 0.00 C ATOM 673 CD ARG A 43 7.733 -2.580 -6.949 1.00 0.00 C ATOM 674 NE ARG A 43 9.029 -2.402 -6.297 1.00 0.00 N ATOM 675 CZ ARG A 43 9.828 -3.405 -5.939 1.00 0.00 C ATOM 676 NH1 ARG A 43 9.465 -4.665 -6.149 1.00 0.00 N ATOM 677 NH2 ARG A 43 10.992 -3.147 -5.361 1.00 0.00 N ATOM 0 H ARG A 43 5.343 1.787 -5.203 1.00 0.00 H new ATOM 0 HA ARG A 43 7.068 0.425 -5.746 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.567 -1.343 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.492 -0.458 -8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.231 -1.741 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.218 -0.697 -7.857 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.960 -2.709 -6.192 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.749 -3.491 -7.547 1.00 0.00 H new ATOM 0 HE ARG A 43 9.341 -1.450 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.568 -4.871 -6.588 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.084 -5.427 -5.871 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.274 -2.182 -5.191 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.606 -3.914 -5.086 1.00 0.00 H new ATOM 784 N THR A 52 10.656 9.965 -6.962 1.00 0.00 N ATOM 785 CA THR A 52 9.408 9.245 -7.197 1.00 0.00 C ATOM 786 C THR A 52 8.924 8.529 -5.935 1.00 0.00 C ATOM 787 O THR A 52 8.662 7.329 -5.955 1.00 0.00 O ATOM 788 CB THR A 52 9.583 8.240 -8.340 1.00 0.00 C ATOM 789 OG1 THR A 52 8.380 7.532 -8.576 1.00 0.00 O ATOM 790 CG2 THR A 52 10.675 7.220 -8.089 1.00 0.00 C ATOM 0 HA THR A 52 8.650 9.977 -7.476 1.00 0.00 H new ATOM 0 HB THR A 52 9.865 8.840 -9.205 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.113 7.059 -7.760 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.742 6.542 -8.940 1.00 0.00 H new ATOM 0 HG22 THR A 52 11.628 7.732 -7.958 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.442 6.651 -7.189 1.00 0.00 H new ATOM 798 N PHE A 53 8.810 9.272 -4.834 1.00 0.00 N ATOM 799 CA PHE A 53 8.356 8.709 -3.564 1.00 0.00 C ATOM 800 C PHE A 53 9.053 7.383 -3.240 1.00 0.00 C ATOM 801 O PHE A 53 8.499 6.550 -2.530 1.00 0.00 O ATOM 802 CB PHE A 53 6.833 8.508 -3.581 1.00 0.00 C ATOM 803 CG PHE A 53 6.340 7.569 -4.651 1.00 0.00 C ATOM 804 CD1 PHE A 53 6.599 6.209 -4.576 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.595 8.041 -5.721 1.00 0.00 C ATOM 806 CE1 PHE A 53 6.126 5.343 -5.537 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.124 7.175 -6.692 1.00 0.00 C ATOM 808 CZ PHE A 53 5.391 5.823 -6.597 1.00 0.00 C ATOM 0 H PHE A 53 9.027 10.268 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 53 8.620 9.422 -2.783 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.518 8.129 -2.609 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.353 9.477 -3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.180 5.823 -3.752 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.380 9.097 -5.797 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.332 4.286 -5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.548 7.556 -7.523 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.024 5.144 -7.353 1.00 0.00 H new ATOM 818 N GLN A 54 10.272 7.201 -3.760 1.00 0.00 N ATOM 819 CA GLN A 54 11.060 5.975 -3.533 1.00 0.00 C ATOM 820 C GLN A 54 10.602 5.208 -2.281 1.00 0.00 C ATOM 821 O GLN A 54 10.374 5.806 -1.230 1.00 0.00 O ATOM 822 CB GLN A 54 12.545 6.329 -3.413 1.00 0.00 C ATOM 823 CG GLN A 54 13.387 5.830 -4.575 1.00 0.00 C ATOM 824 CD GLN A 54 14.704 5.227 -4.127 1.00 0.00 C ATOM 825 OE1 GLN A 54 14.895 4.012 -4.185 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.620 6.074 -3.674 1.00 0.00 N ATOM 0 H GLN A 54 10.741 7.891 -4.346 1.00 0.00 H new ATOM 0 HA GLN A 54 10.900 5.321 -4.390 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.647 7.412 -3.341 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.936 5.909 -2.486 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.822 5.084 -5.134 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.584 6.657 -5.257 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.419 7.074 -3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.524 5.725 -3.357 1.00 0.00 H new ATOM 835 N PRO A 55 10.460 3.867 -2.378 1.00 0.00 N ATOM 836 CA PRO A 55 10.023 3.039 -1.250 1.00 0.00 C ATOM 837 C PRO A 55 11.053 2.977 -0.130 1.00 0.00 C ATOM 838 O PRO A 55 10.709 2.709 1.021 1.00 0.00 O ATOM 839 CB PRO A 55 9.806 1.644 -1.851 1.00 0.00 C ATOM 840 CG PRO A 55 9.923 1.805 -3.334 1.00 0.00 C ATOM 841 CD PRO A 55 10.711 3.062 -3.581 1.00 0.00 C ATOM 0 HA PRO A 55 9.125 3.454 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.548 0.939 -1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.827 1.251 -1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.423 0.944 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.937 1.872 -3.793 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.773 2.851 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.377 3.574 -4.483 1.00 0.00 H new ATOM 849 N THR A 56 12.314 3.232 -0.466 1.00 0.00 N ATOM 850 CA THR A 56 13.384 3.212 0.526 1.00 0.00 C ATOM 851 C THR A 56 12.951 3.971 1.793 1.00 0.00 C ATOM 852 O THR A 56 13.242 3.531 2.905 1.00 0.00 O ATOM 853 CB THR A 56 14.651 3.850 -0.048 1.00 0.00 C ATOM 854 OG1 THR A 56 15.678 3.883 0.926 1.00 0.00 O ATOM 855 CG2 THR A 56 14.439 5.264 -0.541 1.00 0.00 C ATOM 0 H THR A 56 12.619 3.454 -1.414 1.00 0.00 H new ATOM 0 HA THR A 56 13.594 2.174 0.786 1.00 0.00 H new ATOM 0 HB THR A 56 14.931 3.226 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 56 16.481 4.293 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.377 5.656 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.686 5.266 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.102 5.891 0.285 1.00 0.00 H new ATOM 863 N THR A 57 12.245 5.115 1.629 1.00 0.00 N ATOM 864 CA THR A 57 11.794 5.888 2.776 1.00 0.00 C ATOM 865 C THR A 57 10.841 5.076 3.648 1.00 0.00 C ATOM 866 O THR A 57 10.844 5.210 4.871 1.00 0.00 O ATOM 867 CB THR A 57 11.104 7.171 2.307 1.00 0.00 C ATOM 868 OG1 THR A 57 10.503 7.844 3.400 1.00 0.00 O ATOM 869 CG2 THR A 57 10.030 6.930 1.268 1.00 0.00 C ATOM 0 H THR A 57 11.986 5.506 0.723 1.00 0.00 H new ATOM 0 HA THR A 57 12.668 6.145 3.374 1.00 0.00 H new ATOM 0 HB THR A 57 11.892 7.774 1.856 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.068 8.662 3.081 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.582 7.881 0.980 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.472 6.457 0.391 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.261 6.278 1.684 1.00 0.00 H new ATOM 877 N GLY A 58 10.018 4.238 3.017 1.00 0.00 N ATOM 878 CA GLY A 58 9.074 3.432 3.774 1.00 0.00 C ATOM 879 C GLY A 58 7.630 3.558 3.257 1.00 0.00 C ATOM 880 O GLY A 58 6.883 4.385 3.779 1.00 0.00 O ATOM 0 H GLY A 58 9.988 4.104 2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.380 2.387 3.731 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.107 3.731 4.822 1.00 0.00 H new ATOM 884 N HIS A 59 7.203 2.771 2.242 1.00 0.00 N ATOM 885 CA HIS A 59 5.835 2.891 1.746 1.00 0.00 C ATOM 886 C HIS A 59 4.863 2.141 2.657 1.00 0.00 C ATOM 887 O HIS A 59 5.190 1.105 3.235 1.00 0.00 O ATOM 888 CB HIS A 59 5.723 2.366 0.305 1.00 0.00 C ATOM 889 CG HIS A 59 5.641 3.439 -0.734 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.406 4.582 -0.682 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.902 3.536 -1.876 1.00 0.00 C ATOM 892 CE1 HIS A 59 6.145 5.331 -1.733 1.00 0.00 C ATOM 893 NE2 HIS A 59 5.239 4.721 -2.472 1.00 0.00 N ATOM 0 H HIS A 59 7.775 2.070 1.770 1.00 0.00 H new ATOM 0 HA HIS A 59 5.571 3.949 1.748 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.586 1.735 0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.839 1.733 0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.186 2.814 -2.241 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.598 6.286 -1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.852 5.075 -3.347 1.00 0.00 H new ATOM 902 N ARG A 60 3.673 2.706 2.785 1.00 0.00 N ATOM 903 CA ARG A 60 2.604 2.170 3.625 1.00 0.00 C ATOM 904 C ARG A 60 1.436 1.690 2.722 1.00 0.00 C ATOM 905 O ARG A 60 1.457 1.935 1.519 1.00 0.00 O ATOM 906 CB ARG A 60 2.157 3.263 4.602 1.00 0.00 C ATOM 907 CG ARG A 60 1.190 4.265 3.995 1.00 0.00 C ATOM 908 CD ARG A 60 1.564 5.697 4.352 1.00 0.00 C ATOM 909 NE ARG A 60 1.576 5.923 5.798 1.00 0.00 N ATOM 910 CZ ARG A 60 2.674 5.891 6.553 1.00 0.00 C ATOM 911 NH1 ARG A 60 3.863 5.652 6.014 1.00 0.00 N ATOM 912 NH2 ARG A 60 2.579 6.104 7.859 1.00 0.00 N ATOM 0 H ARG A 60 3.414 3.566 2.301 1.00 0.00 H new ATOM 0 HA ARG A 60 2.951 1.313 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.686 2.795 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.036 3.794 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.181 4.151 2.911 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.180 4.054 4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.548 5.926 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.857 6.382 3.885 1.00 0.00 H new ATOM 0 HE ARG A 60 0.687 6.118 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.945 5.490 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.695 5.630 6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 60 1.669 6.291 8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.416 6.081 8.442 1.00 0.00 H new ATOM 926 N LEU A 61 0.450 0.989 3.294 1.00 0.00 N ATOM 927 CA LEU A 61 -0.695 0.440 2.540 1.00 0.00 C ATOM 928 C LEU A 61 -1.989 1.124 3.042 1.00 0.00 C ATOM 929 O LEU A 61 -1.976 1.646 4.153 1.00 0.00 O ATOM 930 CB LEU A 61 -0.777 -1.064 2.865 1.00 0.00 C ATOM 931 CG LEU A 61 -0.823 -2.095 1.723 1.00 0.00 C ATOM 932 CD1 LEU A 61 -2.183 -2.764 1.656 1.00 0.00 C ATOM 933 CD2 LEU A 61 -0.426 -1.503 0.390 1.00 0.00 C ATOM 0 H LEU A 61 0.419 0.784 4.293 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.578 0.606 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.083 -1.309 3.489 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.667 -1.216 3.476 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.079 -2.859 1.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.192 -3.489 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.384 -3.274 2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.951 -2.011 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.476 -2.273 -0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.107 -0.691 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.592 -1.117 0.452 1.00 0.00 H new ATOM 945 N CYS A 62 -3.108 1.171 2.270 1.00 0.00 N ATOM 946 CA CYS A 62 -4.296 1.849 2.795 1.00 0.00 C ATOM 947 C CYS A 62 -5.573 0.944 2.902 1.00 0.00 C ATOM 948 O CYS A 62 -5.605 -0.185 2.416 1.00 0.00 O ATOM 949 CB CYS A 62 -4.501 3.238 2.112 1.00 0.00 C ATOM 950 SG CYS A 62 -3.629 3.596 0.623 1.00 0.00 S ATOM 0 H CYS A 62 -3.201 0.769 1.337 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.102 2.066 3.845 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.565 3.349 1.904 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.237 4.005 2.840 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.321 4.430 -0.095 1.00 0.00 H new ATOM 955 N SER A 63 -6.570 1.464 3.656 1.00 0.00 N ATOM 956 CA SER A 63 -7.843 0.842 4.032 1.00 0.00 C ATOM 957 C SER A 63 -8.413 -0.302 3.197 1.00 0.00 C ATOM 958 O SER A 63 -8.396 -1.465 3.601 1.00 0.00 O ATOM 959 CB SER A 63 -8.912 1.961 4.131 1.00 0.00 C ATOM 960 OG SER A 63 -9.259 2.219 5.481 1.00 0.00 O ATOM 0 H SER A 63 -6.490 2.404 4.043 1.00 0.00 H new ATOM 0 HA SER A 63 -7.597 0.340 4.968 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.532 2.873 3.670 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.802 1.668 3.573 1.00 0.00 H new ATOM 0 HG SER A 63 -9.907 2.953 5.518 1.00 0.00 H new ATOM 966 N VAL A 64 -9.082 0.088 2.146 1.00 0.00 N ATOM 967 CA VAL A 64 -9.888 -0.843 1.330 1.00 0.00 C ATOM 968 C VAL A 64 -9.160 -1.812 0.390 1.00 0.00 C ATOM 969 O VAL A 64 -9.688 -2.124 -0.679 1.00 0.00 O ATOM 970 CB VAL A 64 -10.926 -0.056 0.518 1.00 0.00 C ATOM 971 CG1 VAL A 64 -11.767 0.816 1.437 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.230 0.791 -0.519 1.00 0.00 C ATOM 0 H VAL A 64 -9.098 1.052 1.814 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.328 -1.496 2.084 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.587 -0.760 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.498 1.368 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.285 0.187 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.121 1.519 1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.972 1.347 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.555 1.490 -0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.660 0.149 -1.190 1.00 0.00 H new ATOM 982 N HIS A 65 -7.991 -2.320 0.760 1.00 0.00 N ATOM 983 CA HIS A 65 -7.304 -3.278 -0.116 1.00 0.00 C ATOM 984 C HIS A 65 -7.168 -4.644 0.549 1.00 0.00 C ATOM 985 O HIS A 65 -6.223 -5.372 0.267 1.00 0.00 O ATOM 986 CB HIS A 65 -5.918 -2.798 -0.536 1.00 0.00 C ATOM 987 CG HIS A 65 -5.702 -1.338 -0.437 1.00 0.00 C ATOM 988 ND1 HIS A 65 -6.694 -0.448 -0.068 1.00 0.00 N ATOM 989 CD2 HIS A 65 -4.564 -0.628 -0.498 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.166 0.724 0.119 1.00 0.00 C ATOM 991 NE2 HIS A 65 -4.892 0.628 -0.123 1.00 0.00 N ATOM 0 H HIS A 65 -7.506 -2.098 1.630 1.00 0.00 H new ATOM 0 HA HIS A 65 -7.927 -3.362 -1.006 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.174 -3.302 0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -5.741 -3.107 -1.566 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.587 -0.987 -0.787 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.691 1.618 0.421 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -4.229 1.398 -0.041 1.00 0.00 H new ATOM 999 N PHE A 66 -8.094 -5.003 1.436 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.005 -6.290 2.112 1.00 0.00 C ATOM 1001 C PHE A 66 -9.289 -7.121 1.886 1.00 0.00 C ATOM 1002 O PHE A 66 -10.310 -6.559 1.490 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.762 -6.055 3.608 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.328 -5.750 3.929 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -5.339 -6.685 3.682 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.968 -4.524 4.466 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.018 -6.407 3.967 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -4.645 -4.240 4.751 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.670 -5.185 4.502 1.00 0.00 C ATOM 0 H PHE A 66 -8.898 -4.432 1.698 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.172 -6.857 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.388 -5.229 3.947 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -8.073 -6.939 4.164 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.604 -7.644 3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.728 -3.783 4.664 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.256 -7.147 3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.375 -3.281 5.168 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.636 -4.967 4.726 1.00 0.00 H new ATOM 1019 N GLN A 67 -9.266 -8.448 2.149 1.00 0.00 N ATOM 1020 CA GLN A 67 -10.456 -9.271 1.974 1.00 0.00 C ATOM 1021 C GLN A 67 -11.038 -9.594 3.379 1.00 0.00 C ATOM 1022 O GLN A 67 -10.251 -9.659 4.318 1.00 0.00 O ATOM 1023 CB GLN A 67 -10.131 -10.571 1.219 1.00 0.00 C ATOM 1024 CG GLN A 67 -8.657 -10.954 1.222 1.00 0.00 C ATOM 1025 CD GLN A 67 -8.314 -11.961 0.141 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -8.641 -11.766 -1.030 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -7.648 -13.041 0.528 1.00 0.00 N ATOM 0 H GLN A 67 -8.443 -8.954 2.478 1.00 0.00 H new ATOM 0 HA GLN A 67 -11.187 -8.725 1.378 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -10.705 -11.385 1.660 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -10.464 -10.469 0.186 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -8.052 -10.058 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.395 -11.368 2.196 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.398 -13.161 1.509 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.386 -13.751 -0.156 1.00 0.00 H new ATOM 1036 N GLY A 68 -12.379 -9.790 3.561 1.00 0.00 N ATOM 1037 CA GLY A 68 -12.932 -10.086 4.887 1.00 0.00 C ATOM 1038 C GLY A 68 -11.935 -10.715 5.872 1.00 0.00 C ATOM 1039 O GLY A 68 -12.006 -11.916 6.129 1.00 0.00 O ATOM 0 H GLY A 68 -13.071 -9.746 2.813 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.316 -9.162 5.320 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.780 -10.760 4.770 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.003 -9.919 6.420 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.030 -10.463 7.354 1.00 0.00 C ATOM 1045 C GLY A 69 -8.866 -9.514 7.604 1.00 0.00 C ATOM 1046 O GLY A 69 -8.756 -8.477 6.950 1.00 0.00 O ATOM 0 H GLY A 69 -10.910 -8.921 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.524 -10.684 8.300 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.648 -11.407 6.966 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.994 -9.869 8.550 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.839 -9.045 8.879 1.00 0.00 C ATOM 1052 C ARG A 70 -5.568 -9.888 8.875 1.00 0.00 C ATOM 1053 O ARG A 70 -4.762 -9.823 9.804 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.025 -8.378 10.245 1.00 0.00 C ATOM 1055 CG ARG A 70 -7.674 -9.278 11.284 1.00 0.00 C ATOM 1056 CD ARG A 70 -7.666 -8.639 12.666 1.00 0.00 C ATOM 1057 NE ARG A 70 -8.076 -7.234 12.625 1.00 0.00 N ATOM 1058 CZ ARG A 70 -8.889 -6.665 13.515 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -9.384 -7.368 14.527 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -9.206 -5.382 13.394 1.00 0.00 N ATOM 0 H ARG A 70 -8.070 -10.724 9.100 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.746 -8.266 8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.053 -8.053 10.616 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.634 -7.483 10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.701 -9.493 10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.146 -10.231 11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.335 -9.192 13.325 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.666 -8.712 13.093 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.717 -6.654 11.867 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.143 -8.354 14.629 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -10.005 -6.922 15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.828 -4.834 12.621 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.828 -4.944 14.074 1.00 0.00 H new ATOM 1074 N LYS A 71 -5.401 -10.680 7.818 1.00 0.00 N ATOM 1075 CA LYS A 71 -4.232 -11.542 7.668 1.00 0.00 C ATOM 1076 C LYS A 71 -4.248 -12.697 8.667 1.00 0.00 C ATOM 1077 O LYS A 71 -3.968 -12.522 9.853 1.00 0.00 O ATOM 1078 CB LYS A 71 -2.945 -10.735 7.810 1.00 0.00 C ATOM 1079 CG LYS A 71 -2.345 -10.340 6.473 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.377 -8.833 6.288 1.00 0.00 C ATOM 1081 CE LYS A 71 -3.804 -8.309 6.357 1.00 0.00 C ATOM 1082 NZ LYS A 71 -4.673 -8.933 5.320 1.00 0.00 N ATOM 0 H LYS A 71 -6.067 -10.742 7.048 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.270 -11.970 6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.148 -9.836 8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.216 -11.319 8.371 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.317 -10.696 6.412 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.897 -10.821 5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.772 -8.355 7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.935 -8.571 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.217 -8.509 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.801 -7.227 6.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.986 -8.206 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.137 -9.667 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.503 -9.363 5.776 1.00 0.00 H new ATOM 1096 N THR A 72 -4.560 -13.881 8.157 1.00 0.00 N ATOM 1097 CA THR A 72 -4.600 -15.102 8.958 1.00 0.00 C ATOM 1098 C THR A 72 -3.942 -16.226 8.172 1.00 0.00 C ATOM 1099 O THR A 72 -3.070 -16.938 8.671 1.00 0.00 O ATOM 1100 CB THR A 72 -6.046 -15.490 9.293 1.00 0.00 C ATOM 1101 OG1 THR A 72 -6.720 -15.946 8.133 1.00 0.00 O ATOM 1102 CG2 THR A 72 -6.864 -14.363 9.881 1.00 0.00 C ATOM 0 H THR A 72 -4.793 -14.024 7.174 1.00 0.00 H new ATOM 0 HA THR A 72 -4.067 -14.930 9.893 1.00 0.00 H new ATOM 0 HB THR A 72 -5.960 -16.275 10.045 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.640 -16.191 8.364 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.873 -14.717 10.090 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.400 -14.021 10.806 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.909 -13.537 9.171 1.00 0.00 H new ATOM 1110 N TYR A 73 -4.370 -16.348 6.923 1.00 0.00 N ATOM 1111 CA TYR A 73 -3.850 -17.344 5.999 1.00 0.00 C ATOM 1112 C TYR A 73 -4.452 -17.077 4.615 1.00 0.00 C ATOM 1113 O TYR A 73 -5.352 -16.245 4.503 1.00 0.00 O ATOM 1114 CB TYR A 73 -4.198 -18.758 6.467 1.00 0.00 C ATOM 1115 CG TYR A 73 -3.236 -19.816 5.976 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -1.944 -19.899 6.484 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -3.617 -20.732 5.003 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -1.062 -20.865 6.036 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -2.740 -21.700 4.550 1.00 0.00 C ATOM 1120 CZ TYR A 73 -1.464 -21.762 5.071 1.00 0.00 C ATOM 1121 OH TYR A 73 -0.588 -22.724 4.623 1.00 0.00 O ATOM 0 H TYR A 73 -5.094 -15.753 6.520 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.763 -17.271 5.957 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.218 -18.776 7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.203 -19.007 6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.624 -19.198 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.615 -20.687 4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.062 -20.916 6.441 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -3.052 -22.404 3.793 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.028 -23.276 3.944 1.00 0.00 H new ATOM 1131 N THR A 74 -3.991 -17.767 3.564 1.00 0.00 N ATOM 1132 CA THR A 74 -4.534 -17.555 2.219 1.00 0.00 C ATOM 1133 C THR A 74 -4.234 -16.138 1.703 1.00 0.00 C ATOM 1134 O THR A 74 -3.712 -15.970 0.601 1.00 0.00 O ATOM 1135 CB THR A 74 -6.047 -17.815 2.193 1.00 0.00 C ATOM 1136 OG1 THR A 74 -6.531 -18.166 3.477 1.00 0.00 O ATOM 1137 CG2 THR A 74 -6.443 -18.925 1.245 1.00 0.00 C ATOM 0 H THR A 74 -3.252 -18.468 3.618 1.00 0.00 H new ATOM 0 HA THR A 74 -4.042 -18.267 1.557 1.00 0.00 H new ATOM 0 HB THR A 74 -6.487 -16.878 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.612 -17.360 4.028 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.524 -19.059 1.273 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.136 -18.665 0.232 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.955 -19.852 1.546 1.00 0.00 H new ATOM 1145 N VAL A 75 -4.573 -15.123 2.499 1.00 0.00 N ATOM 1146 CA VAL A 75 -4.349 -13.732 2.119 1.00 0.00 C ATOM 1147 C VAL A 75 -2.881 -13.342 2.379 1.00 0.00 C ATOM 1148 O VAL A 75 -2.519 -12.957 3.490 1.00 0.00 O ATOM 1149 CB VAL A 75 -5.326 -12.826 2.947 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -4.826 -12.620 4.367 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -5.616 -11.477 2.283 1.00 0.00 C ATOM 0 H VAL A 75 -5.006 -15.242 3.415 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.545 -13.596 1.055 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.270 -13.370 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.527 -11.988 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.743 -13.585 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.848 -12.139 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.298 -10.902 2.910 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.684 -10.925 2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.072 -11.642 1.307 1.00 0.00 H new ATOM 1161 N ARG A 76 -2.025 -13.448 1.352 1.00 0.00 N ATOM 1162 CA ARG A 76 -0.618 -13.103 1.512 1.00 0.00 C ATOM 1163 C ARG A 76 -0.362 -11.651 1.113 1.00 0.00 C ATOM 1164 O ARG A 76 0.277 -10.903 1.853 1.00 0.00 O ATOM 1165 CB ARG A 76 0.260 -14.042 0.681 1.00 0.00 C ATOM 1166 CG ARG A 76 1.331 -14.753 1.494 1.00 0.00 C ATOM 1167 CD ARG A 76 2.190 -15.655 0.623 1.00 0.00 C ATOM 1168 NE ARG A 76 2.548 -15.021 -0.645 1.00 0.00 N ATOM 1169 CZ ARG A 76 3.545 -14.150 -0.781 1.00 0.00 C ATOM 1170 NH1 ARG A 76 4.280 -13.800 0.267 1.00 0.00 N ATOM 1171 NH2 ARG A 76 3.807 -13.625 -1.970 1.00 0.00 N ATOM 0 H ARG A 76 -2.284 -13.766 0.418 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.360 -13.219 2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.373 -14.787 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.739 -13.470 -0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.963 -14.015 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.860 -15.345 2.278 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.098 -15.921 1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.654 -16.583 0.425 1.00 0.00 H new ATOM 0 HE ARG A 76 2.002 -15.260 -1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.082 -14.199 1.185 1.00 0.00 H new ATOM 0 HH12 ARG A 76 5.042 -13.132 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.245 -13.889 -2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.571 -12.957 -2.076 1.00 0.00 H new ATOM 1185 N VAL A 77 -0.862 -11.254 -0.055 1.00 0.00 N ATOM 1186 CA VAL A 77 -0.676 -9.885 -0.526 1.00 0.00 C ATOM 1187 C VAL A 77 -2.003 -9.292 -1.023 1.00 0.00 C ATOM 1188 O VAL A 77 -2.676 -9.885 -1.865 1.00 0.00 O ATOM 1189 CB VAL A 77 0.387 -9.845 -1.661 1.00 0.00 C ATOM 1190 CG1 VAL A 77 1.612 -10.661 -1.267 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -0.181 -10.360 -2.970 1.00 0.00 C ATOM 0 H VAL A 77 -1.393 -11.854 -0.686 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.323 -9.282 0.311 1.00 0.00 H new ATOM 0 HB VAL A 77 0.680 -8.805 -1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.348 -10.624 -2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.047 -10.248 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.319 -11.696 -1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.588 -10.318 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.512 -11.391 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.028 -9.741 -3.268 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.411 -8.117 -0.496 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.674 -7.456 -0.879 1.00 0.00 C ATOM 1203 C PRO A 78 -3.807 -7.079 -2.325 1.00 0.00 C ATOM 1204 O PRO A 78 -3.842 -5.880 -2.617 1.00 0.00 O ATOM 1205 CB PRO A 78 -3.630 -6.153 -0.078 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.829 -6.498 1.109 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.716 -7.329 0.554 1.00 0.00 C ATOM 0 HA PRO A 78 -4.503 -8.138 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.171 -5.347 -0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -4.630 -5.819 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.452 -5.607 1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.416 -7.052 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.916 -6.715 0.140 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.267 -7.969 1.314 1.00 0.00 H new ATOM 1215 N THR A 79 -3.976 -8.014 -3.260 1.00 0.00 N ATOM 1216 CA THR A 79 -4.193 -7.480 -4.567 1.00 0.00 C ATOM 1217 C THR A 79 -5.673 -7.561 -4.902 1.00 0.00 C ATOM 1218 O THR A 79 -6.219 -8.594 -5.290 1.00 0.00 O ATOM 1219 CB THR A 79 -3.376 -8.261 -5.604 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.415 -9.088 -4.970 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.641 -7.367 -6.580 1.00 0.00 C ATOM 0 H THR A 79 -3.967 -9.028 -3.147 1.00 0.00 H new ATOM 0 HA THR A 79 -3.871 -6.439 -4.588 1.00 0.00 H new ATOM 0 HB THR A 79 -4.103 -8.856 -6.156 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.906 -9.578 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.083 -7.981 -7.286 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.359 -6.752 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.951 -6.723 -6.035 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.239 -6.377 -4.848 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.598 -6.052 -5.219 1.00 0.00 C ATOM 1231 C ILE A 80 -7.446 -4.896 -6.205 1.00 0.00 C ATOM 1232 O ILE A 80 -6.520 -4.121 -6.010 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.444 -5.673 -3.956 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -8.454 -6.827 -2.935 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.884 -5.296 -4.290 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -8.479 -8.213 -3.544 1.00 0.00 C ATOM 0 H ILE A 80 -5.726 -5.558 -4.521 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.136 -6.886 -5.668 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.960 -4.795 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.572 -6.740 -2.301 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.324 -6.714 -2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.416 -5.044 -3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.889 -4.436 -4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.377 -6.138 -4.776 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.484 -8.959 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.375 -8.326 -4.154 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.596 -8.353 -4.167 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.248 -4.750 -7.255 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.055 -3.614 -8.176 1.00 0.00 C ATOM 1250 C PHE A 81 -6.701 -3.708 -8.876 1.00 0.00 C ATOM 1251 O PHE A 81 -6.682 -4.043 -10.080 1.00 0.00 O ATOM 1252 CB PHE A 81 -8.177 -2.238 -7.444 1.00 0.00 C ATOM 1253 CG PHE A 81 -7.406 -2.130 -6.139 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.056 -1.777 -6.121 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -8.020 -2.446 -4.931 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -5.341 -1.757 -4.928 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -7.314 -2.411 -3.740 1.00 0.00 C ATOM 1258 CZ PHE A 81 -5.973 -2.077 -3.736 1.00 0.00 C ATOM 1259 OXT PHE A 81 -5.674 -3.445 -8.218 1.00 0.00 O ATOM 0 H PHE A 81 -9.017 -5.377 -7.493 1.00 0.00 H new ATOM 0 HA PHE A 81 -8.850 -3.671 -8.920 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.831 -1.454 -8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.230 -2.044 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -5.560 -1.516 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.064 -2.723 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.294 -1.492 -4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.813 -2.645 -2.811 1.00 0.00 H new ATOM 0 HZ PHE A 81 -5.420 -2.065 -2.809 1.00 0.00 H new