USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN : amide:sc= -0.149 K(o=-0.6,f=-5.5!) USER MOD Set 1.2: A 73 SER OG : rot 42:sc= -0.452 USER MOD Set 2.1: A 55 ASN : amide:sc= 2.5 K(o=3.2,f=-9.7!) USER MOD Set 2.2: A 62 TYR OH : rot 30:sc= 0.689 USER MOD Set 3.1: A 57 GLN : amide:sc= 1.22 K(o=2.2,f=0.36) USER MOD Set 3.2: A 74 SER OG : rot 180:sc= 1.02 USER MOD Set 4.1: A 32 CYS SG : rot 180:sc= 1.07 USER MOD Set 4.2: A 36 LYS NZ :NH3+ -166:sc= 1.35 (180deg=0) USER MOD Set 5.1: A 11 TYR OH : rot -140:sc= 0 USER MOD Set 5.2: A 16 LYS NZ :NH3+ 176:sc= 2.42 (180deg=2.32) USER MOD Single : A 7 SER OG : rot 173:sc= 1.27 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 12 LYS NZ :NH3+ 127:sc= -0.107 (180deg=-0.67) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0291 USER MOD Single : A 28 HIS : no HD1:sc= -1.47 X(o=-1.5,f=-1.6) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 175:sc= 0.205 (180deg=0.195) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 39 MET CE :methyl -168:sc= -0.02 (180deg=-0.25) USER MOD Single : A 43 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0545) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot -20:sc= -1.7! USER MOD Single : A 52 GLN : amide:sc= -2.59! C(o=-2.6!,f=-11!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.418 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 66 ASN :FLIP amide:sc= -3.33! C(o=-4.9!,f=-3.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.494 2.632 -1.643 1.00 0.00 N ATOM 79 CA SER A 7 -13.716 1.523 -1.186 1.00 0.00 C ATOM 80 C SER A 7 -12.409 2.041 -0.662 1.00 0.00 C ATOM 81 O SER A 7 -11.783 2.906 -1.298 1.00 0.00 O ATOM 82 CB SER A 7 -13.468 0.627 -2.369 1.00 0.00 C ATOM 83 OG SER A 7 -14.699 0.303 -2.993 1.00 0.00 O ATOM 0 HA SER A 7 -14.229 0.975 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 7 -12.809 1.124 -3.081 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.962 -0.283 -2.047 1.00 0.00 H new ATOM 0 HG SER A 7 -14.526 -0.190 -3.822 1.00 0.00 H new ATOM 89 N CYS A 8 -11.989 1.558 0.471 1.00 0.00 N ATOM 90 CA CYS A 8 -10.779 2.046 1.040 1.00 0.00 C ATOM 91 C CYS A 8 -10.096 0.978 1.842 1.00 0.00 C ATOM 92 O CYS A 8 -10.751 0.154 2.468 1.00 0.00 O ATOM 93 CB CYS A 8 -11.056 3.286 1.892 1.00 0.00 C ATOM 94 SG CYS A 8 -12.200 3.004 3.256 1.00 0.00 S ATOM 0 H CYS A 8 -12.464 0.834 1.010 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.106 2.331 0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.112 3.655 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.458 4.071 1.251 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.368 4.110 3.918 1.00 0.00 H new ATOM 100 N VAL A 9 -8.799 0.991 1.820 1.00 0.00 N ATOM 101 CA VAL A 9 -8.018 0.031 2.557 1.00 0.00 C ATOM 102 C VAL A 9 -7.401 0.726 3.735 1.00 0.00 C ATOM 103 O VAL A 9 -6.811 1.811 3.582 1.00 0.00 O ATOM 104 CB VAL A 9 -6.861 -0.595 1.704 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.016 -1.546 2.531 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.390 -1.321 0.490 1.00 0.00 C ATOM 0 H VAL A 9 -8.246 1.666 1.292 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.688 -0.775 2.856 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.238 0.235 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.223 -1.962 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.575 -1.006 3.369 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.642 -2.354 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.557 -1.740 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.054 -2.125 0.807 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.941 -0.623 -0.140 1.00 0.00 H new ATOM 116 N HIS A 10 -7.584 0.148 4.894 1.00 0.00 N ATOM 117 CA HIS A 10 -6.950 0.621 6.087 1.00 0.00 C ATOM 118 C HIS A 10 -5.528 0.166 6.078 1.00 0.00 C ATOM 119 O HIS A 10 -5.232 -1.021 6.253 1.00 0.00 O ATOM 120 CB HIS A 10 -7.661 0.144 7.360 1.00 0.00 C ATOM 121 CG HIS A 10 -8.932 0.873 7.667 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.100 1.661 8.782 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.112 0.919 6.993 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.345 2.153 8.760 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.004 1.733 7.689 1.00 0.00 N ATOM 0 H HIS A 10 -8.181 -0.668 5.032 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.003 1.710 6.098 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.880 -0.919 7.263 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.981 0.253 8.204 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.324 0.407 6.066 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.758 2.806 9.515 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -11.964 1.959 7.429 1.00 0.00 H new ATOM 133 N TYR A 11 -4.665 1.076 5.819 1.00 0.00 N ATOM 134 CA TYR A 11 -3.281 0.786 5.741 1.00 0.00 C ATOM 135 C TYR A 11 -2.570 1.673 6.722 1.00 0.00 C ATOM 136 O TYR A 11 -2.960 2.820 6.899 1.00 0.00 O ATOM 137 CB TYR A 11 -2.753 1.054 4.299 1.00 0.00 C ATOM 138 CG TYR A 11 -2.614 2.537 3.916 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.678 3.254 3.396 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.403 3.214 4.103 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.541 4.598 3.075 1.00 0.00 C ATOM 142 CE2 TYR A 11 -1.268 4.544 3.794 1.00 0.00 C ATOM 143 CZ TYR A 11 -2.333 5.233 3.281 1.00 0.00 C ATOM 144 OH TYR A 11 -2.194 6.574 2.986 1.00 0.00 O ATOM 0 H TYR A 11 -4.901 2.054 5.653 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.102 -0.263 5.976 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.780 0.575 4.191 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.425 0.574 3.588 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.626 2.762 3.238 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.555 2.676 4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -4.377 5.145 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.325 5.045 3.955 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.318 6.729 2.575 1.00 0.00 H new ATOM 154 N LYS A 12 -1.590 1.179 7.392 1.00 0.00 N ATOM 155 CA LYS A 12 -0.809 2.069 8.196 1.00 0.00 C ATOM 156 C LYS A 12 0.581 2.048 7.641 1.00 0.00 C ATOM 157 O LYS A 12 1.072 0.999 7.241 1.00 0.00 O ATOM 158 CB LYS A 12 -0.825 1.747 9.710 1.00 0.00 C ATOM 159 CG LYS A 12 0.198 0.735 10.179 1.00 0.00 C ATOM 160 CD LYS A 12 0.189 0.607 11.688 1.00 0.00 C ATOM 161 CE LYS A 12 1.423 -0.131 12.178 1.00 0.00 C ATOM 162 NZ LYS A 12 2.674 0.603 11.855 1.00 0.00 N ATOM 0 H LYS A 12 -1.311 0.198 7.406 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.249 3.065 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.670 2.675 10.261 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.817 1.381 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.012 -0.235 9.728 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.191 1.035 9.843 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.150 1.598 12.141 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.708 0.075 12.006 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.355 -0.275 13.256 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.457 -1.122 11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.237 0.726 12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.224 0.062 11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.437 1.536 11.460 1.00 0.00 H new ATOM 176 N PHE A 13 1.185 3.180 7.549 1.00 0.00 N ATOM 177 CA PHE A 13 2.509 3.259 7.002 1.00 0.00 C ATOM 178 C PHE A 13 3.490 3.091 8.154 1.00 0.00 C ATOM 179 O PHE A 13 3.089 3.163 9.301 1.00 0.00 O ATOM 180 CB PHE A 13 2.705 4.632 6.333 1.00 0.00 C ATOM 181 CG PHE A 13 3.627 4.613 5.147 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.003 4.547 5.297 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.101 4.644 3.875 1.00 0.00 C ATOM 184 CE1 PHE A 13 5.828 4.502 4.201 1.00 0.00 C ATOM 185 CE2 PHE A 13 3.920 4.608 2.776 1.00 0.00 C ATOM 186 CZ PHE A 13 5.283 4.531 2.937 1.00 0.00 C ATOM 0 H PHE A 13 0.788 4.072 7.845 1.00 0.00 H new ATOM 0 HA PHE A 13 2.670 2.485 6.252 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.733 5.012 6.018 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.096 5.331 7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.431 4.531 6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.031 4.697 3.741 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.899 4.444 4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.494 4.640 1.784 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.927 4.493 2.071 1.00 0.00 H new ATOM 196 N SER A 14 4.745 2.864 7.856 1.00 0.00 N ATOM 197 CA SER A 14 5.785 2.802 8.876 1.00 0.00 C ATOM 198 C SER A 14 5.835 4.141 9.650 1.00 0.00 C ATOM 199 O SER A 14 6.119 4.171 10.853 1.00 0.00 O ATOM 200 CB SER A 14 7.145 2.497 8.214 1.00 0.00 C ATOM 201 OG SER A 14 8.199 2.341 9.165 1.00 0.00 O ATOM 0 H SER A 14 5.083 2.716 6.905 1.00 0.00 H new ATOM 0 HA SER A 14 5.560 2.003 9.583 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.059 1.587 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.398 3.304 7.526 1.00 0.00 H new ATOM 0 HG SER A 14 9.037 2.148 8.696 1.00 0.00 H new ATOM 207 N SER A 15 5.510 5.219 8.955 1.00 0.00 N ATOM 208 CA SER A 15 5.503 6.547 9.517 1.00 0.00 C ATOM 209 C SER A 15 4.166 6.846 10.237 1.00 0.00 C ATOM 210 O SER A 15 4.016 7.882 10.877 1.00 0.00 O ATOM 211 CB SER A 15 5.702 7.537 8.373 1.00 0.00 C ATOM 212 OG SER A 15 6.766 7.100 7.528 1.00 0.00 O ATOM 0 H SER A 15 5.241 5.189 7.972 1.00 0.00 H new ATOM 0 HA SER A 15 6.300 6.633 10.255 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.782 7.628 7.796 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.927 8.526 8.772 1.00 0.00 H new ATOM 0 HG SER A 15 6.886 7.740 6.796 1.00 0.00 H new ATOM 218 N LYS A 16 3.195 5.947 10.120 1.00 0.00 N ATOM 219 CA LYS A 16 1.896 6.170 10.705 1.00 0.00 C ATOM 220 C LYS A 16 1.602 5.130 11.767 1.00 0.00 C ATOM 221 O LYS A 16 1.653 3.924 11.517 1.00 0.00 O ATOM 222 CB LYS A 16 0.818 6.152 9.622 1.00 0.00 C ATOM 223 CG LYS A 16 1.019 7.213 8.553 1.00 0.00 C ATOM 224 CD LYS A 16 0.015 7.078 7.430 1.00 0.00 C ATOM 225 CE LYS A 16 0.273 8.129 6.359 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.702 8.092 5.252 1.00 0.00 N ATOM 0 H LYS A 16 3.291 5.061 9.624 1.00 0.00 H new ATOM 0 HA LYS A 16 1.894 7.151 11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.804 5.170 9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.157 6.296 10.088 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.931 8.202 9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.028 7.135 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.080 6.081 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.996 7.189 7.822 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.252 9.117 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.275 7.986 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.510 8.874 4.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.620 7.187 4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.665 8.189 5.634 1.00 0.00 H new ATOM 240 N LEU A 17 1.304 5.597 12.944 1.00 0.00 N ATOM 241 CA LEU A 17 1.007 4.726 14.060 1.00 0.00 C ATOM 242 C LEU A 17 -0.448 4.271 13.983 1.00 0.00 C ATOM 243 O LEU A 17 -0.832 3.252 14.560 1.00 0.00 O ATOM 244 CB LEU A 17 1.268 5.466 15.376 1.00 0.00 C ATOM 245 CG LEU A 17 2.684 6.044 15.550 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.802 6.784 16.865 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.740 4.950 15.461 1.00 0.00 C ATOM 0 H LEU A 17 1.258 6.592 13.165 1.00 0.00 H new ATOM 0 HA LEU A 17 1.651 3.848 14.019 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.550 6.282 15.461 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.072 4.781 16.201 1.00 0.00 H new ATOM 0 HG LEU A 17 2.857 6.749 14.737 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.811 7.184 16.968 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.082 7.602 16.888 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.598 6.099 17.688 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.730 5.389 15.588 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.567 4.213 16.245 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.680 4.465 14.487 1.00 0.00 H new ATOM 259 N ASN A 18 -1.234 5.024 13.253 1.00 0.00 N ATOM 260 CA ASN A 18 -2.644 4.739 13.067 1.00 0.00 C ATOM 261 C ASN A 18 -2.882 4.395 11.625 1.00 0.00 C ATOM 262 O ASN A 18 -2.026 4.664 10.768 1.00 0.00 O ATOM 263 CB ASN A 18 -3.507 5.948 13.445 1.00 0.00 C ATOM 264 CG ASN A 18 -3.417 6.321 14.909 1.00 0.00 C ATOM 265 OD1 ASN A 18 -3.246 5.466 15.788 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.506 7.594 15.188 1.00 0.00 N ATOM 0 H ASN A 18 -0.914 5.861 12.765 1.00 0.00 H new ATOM 0 HA ASN A 18 -2.920 3.905 13.713 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.204 6.803 12.841 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.546 5.734 13.196 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.434 7.910 16.155 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.647 8.272 14.439 1.00 0.00 H new ATOM 273 N TYR A 19 -4.021 3.816 11.338 1.00 0.00 N ATOM 274 CA TYR A 19 -4.344 3.438 9.993 1.00 0.00 C ATOM 275 C TYR A 19 -4.918 4.589 9.218 1.00 0.00 C ATOM 276 O TYR A 19 -5.580 5.485 9.768 1.00 0.00 O ATOM 277 CB TYR A 19 -5.268 2.225 9.944 1.00 0.00 C ATOM 278 CG TYR A 19 -4.614 0.938 10.418 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.457 0.661 11.771 1.00 0.00 C ATOM 280 CD2 TYR A 19 -4.149 0.001 9.504 1.00 0.00 C ATOM 281 CE1 TYR A 19 -3.857 -0.504 12.196 1.00 0.00 C ATOM 282 CE2 TYR A 19 -3.549 -1.170 9.922 1.00 0.00 C ATOM 283 CZ TYR A 19 -3.407 -1.416 11.270 1.00 0.00 C ATOM 284 OH TYR A 19 -2.803 -2.576 11.696 1.00 0.00 O ATOM 0 H TYR A 19 -4.742 3.597 12.026 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.408 3.150 9.515 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.146 2.423 10.559 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.619 2.088 8.921 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.812 1.372 12.502 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.259 0.192 8.447 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.740 -0.700 13.252 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.194 -1.888 9.198 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.171 -2.836 12.566 1.00 0.00 H new ATOM 294 N ASP A 20 -4.646 4.573 7.968 1.00 0.00 N ATOM 295 CA ASP A 20 -5.084 5.562 7.030 1.00 0.00 C ATOM 296 C ASP A 20 -5.916 4.807 6.007 1.00 0.00 C ATOM 297 O ASP A 20 -6.007 3.585 6.085 1.00 0.00 O ATOM 298 CB ASP A 20 -3.857 6.188 6.361 1.00 0.00 C ATOM 299 CG ASP A 20 -4.110 7.538 5.705 1.00 0.00 C ATOM 300 OD1 ASP A 20 -5.126 7.717 4.990 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.268 8.434 5.860 1.00 0.00 O ATOM 0 H ASP A 20 -4.084 3.837 7.539 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.659 6.362 7.497 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.072 6.304 7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.480 5.498 5.607 1.00 0.00 H new ATOM 306 N THR A 21 -6.469 5.477 5.060 1.00 0.00 N ATOM 307 CA THR A 21 -7.335 4.865 4.121 1.00 0.00 C ATOM 308 C THR A 21 -6.999 5.320 2.744 1.00 0.00 C ATOM 309 O THR A 21 -6.827 6.520 2.499 1.00 0.00 O ATOM 310 CB THR A 21 -8.817 5.159 4.439 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.969 6.510 4.931 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.377 4.161 5.435 1.00 0.00 C ATOM 0 H THR A 21 -6.330 6.477 4.915 1.00 0.00 H new ATOM 0 HA THR A 21 -7.192 3.786 4.186 1.00 0.00 H new ATOM 0 HB THR A 21 -9.385 5.058 3.514 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.914 6.683 5.127 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.422 4.396 5.637 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.305 3.155 5.022 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.807 4.214 6.363 1.00 0.00 H new ATOM 320 N VAL A 22 -6.820 4.390 1.872 1.00 0.00 N ATOM 321 CA VAL A 22 -6.587 4.717 0.514 1.00 0.00 C ATOM 322 C VAL A 22 -7.848 4.380 -0.272 1.00 0.00 C ATOM 323 O VAL A 22 -8.366 3.266 -0.175 1.00 0.00 O ATOM 324 CB VAL A 22 -5.312 4.019 -0.050 1.00 0.00 C ATOM 325 CG1 VAL A 22 -5.445 2.502 -0.194 1.00 0.00 C ATOM 326 CG2 VAL A 22 -4.861 4.687 -1.320 1.00 0.00 C ATOM 0 H VAL A 22 -6.831 3.391 2.079 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.380 5.783 0.418 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.529 4.148 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.517 2.092 -0.592 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.648 2.060 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.265 2.272 -0.874 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.970 4.186 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.655 4.627 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.631 5.733 -1.119 1.00 0.00 H new ATOM 336 N THR A 23 -8.393 5.360 -0.932 1.00 0.00 N ATOM 337 CA THR A 23 -9.614 5.189 -1.673 1.00 0.00 C ATOM 338 C THR A 23 -9.327 4.753 -3.095 1.00 0.00 C ATOM 339 O THR A 23 -8.444 5.311 -3.748 1.00 0.00 O ATOM 340 CB THR A 23 -10.423 6.491 -1.662 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.559 7.598 -1.990 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.050 6.723 -0.296 1.00 0.00 C ATOM 0 H THR A 23 -8.005 6.302 -0.973 1.00 0.00 H new ATOM 0 HA THR A 23 -10.202 4.406 -1.194 1.00 0.00 H new ATOM 0 HB THR A 23 -11.220 6.412 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.077 8.430 -1.985 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.620 7.652 -0.310 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.715 5.893 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.266 6.790 0.458 1.00 0.00 H new ATOM 350 N PHE A 24 -10.063 3.781 -3.575 1.00 0.00 N ATOM 351 CA PHE A 24 -9.827 3.247 -4.894 1.00 0.00 C ATOM 352 C PHE A 24 -11.129 2.811 -5.527 1.00 0.00 C ATOM 353 O PHE A 24 -12.148 2.679 -4.839 1.00 0.00 O ATOM 354 CB PHE A 24 -8.834 2.069 -4.829 1.00 0.00 C ATOM 355 CG PHE A 24 -9.303 0.928 -3.966 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.178 0.986 -2.588 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.878 -0.194 -4.529 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.617 -0.044 -1.804 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.312 -1.223 -3.741 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.182 -1.151 -2.380 1.00 0.00 C ATOM 0 H PHE A 24 -10.833 3.342 -3.070 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.389 4.031 -5.512 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.656 1.700 -5.839 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.879 2.431 -4.449 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -8.729 1.854 -2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.986 -0.259 -5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.518 0.015 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.759 -2.096 -4.193 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.525 -1.967 -1.761 1.00 0.00 H new ATOM 370 N ASP A 25 -11.083 2.587 -6.817 1.00 0.00 N ATOM 371 CA ASP A 25 -12.223 2.166 -7.583 1.00 0.00 C ATOM 372 C ASP A 25 -12.210 0.657 -7.718 1.00 0.00 C ATOM 373 O ASP A 25 -11.334 0.088 -8.398 1.00 0.00 O ATOM 374 CB ASP A 25 -12.178 2.793 -8.980 1.00 0.00 C ATOM 375 CG ASP A 25 -12.245 4.299 -8.978 1.00 0.00 C ATOM 376 OD1 ASP A 25 -11.187 4.956 -8.832 1.00 0.00 O ATOM 377 OD2 ASP A 25 -13.351 4.867 -9.161 1.00 0.00 O ATOM 0 H ASP A 25 -10.234 2.695 -7.372 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.131 2.487 -7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.260 2.481 -9.478 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.008 2.403 -9.569 1.00 0.00 H new ATOM 382 N GLY A 26 -13.138 0.010 -7.081 1.00 0.00 N ATOM 383 CA GLY A 26 -13.229 -1.428 -7.135 1.00 0.00 C ATOM 384 C GLY A 26 -13.385 -1.992 -5.760 1.00 0.00 C ATOM 385 O GLY A 26 -13.543 -1.240 -4.815 1.00 0.00 O ATOM 0 H GLY A 26 -13.855 0.457 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.077 -1.722 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.334 -1.838 -7.604 1.00 0.00 H new ATOM 389 N LEU A 27 -13.365 -3.289 -5.626 1.00 0.00 N ATOM 390 CA LEU A 27 -13.456 -3.890 -4.311 1.00 0.00 C ATOM 391 C LEU A 27 -12.026 -4.167 -3.836 1.00 0.00 C ATOM 392 O LEU A 27 -11.720 -4.156 -2.636 1.00 0.00 O ATOM 393 CB LEU A 27 -14.302 -5.184 -4.379 1.00 0.00 C ATOM 394 CG LEU A 27 -15.069 -5.613 -3.097 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.947 -6.809 -3.386 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.136 -5.934 -1.939 1.00 0.00 C ATOM 0 H LEU A 27 -13.288 -3.950 -6.399 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.952 -3.226 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -15.030 -5.067 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.641 -6.002 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.684 -4.764 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.478 -7.098 -2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.668 -6.552 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.329 -7.640 -3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.723 -6.228 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.473 -6.751 -2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.542 -5.053 -1.695 1.00 0.00 H new ATOM 408 N HIS A 28 -11.145 -4.355 -4.792 1.00 0.00 N ATOM 409 CA HIS A 28 -9.748 -4.600 -4.518 1.00 0.00 C ATOM 410 C HIS A 28 -8.849 -3.955 -5.519 1.00 0.00 C ATOM 411 O HIS A 28 -9.231 -3.734 -6.674 1.00 0.00 O ATOM 412 CB HIS A 28 -9.401 -6.084 -4.321 1.00 0.00 C ATOM 413 CG HIS A 28 -10.131 -7.060 -5.181 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.731 -8.185 -4.672 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.336 -7.092 -6.515 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.275 -8.856 -5.680 1.00 0.00 C ATOM 417 NE2 HIS A 28 -11.063 -8.235 -6.835 1.00 0.00 N ATOM 0 H HIS A 28 -11.378 -4.342 -5.785 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.566 -4.122 -3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.332 -6.210 -4.494 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.588 -6.342 -3.279 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.991 -6.350 -7.220 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.818 -9.784 -5.575 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.369 -8.533 -7.761 1.00 0.00 H new ATOM 425 N ILE A 29 -7.675 -3.635 -5.072 1.00 0.00 N ATOM 426 CA ILE A 29 -6.705 -2.974 -5.872 1.00 0.00 C ATOM 427 C ILE A 29 -5.395 -3.750 -5.877 1.00 0.00 C ATOM 428 O ILE A 29 -4.965 -4.260 -4.845 1.00 0.00 O ATOM 429 CB ILE A 29 -6.495 -1.504 -5.391 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.372 -0.840 -6.163 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.226 -1.439 -3.884 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.335 0.656 -6.028 1.00 0.00 C ATOM 0 H ILE A 29 -7.363 -3.832 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.073 -2.935 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.418 -0.959 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.421 -1.248 -5.822 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.470 -1.096 -7.218 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.085 -0.401 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -7.074 -1.860 -3.344 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.327 -2.010 -3.650 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.503 1.053 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.270 1.078 -6.397 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.205 0.924 -4.979 1.00 0.00 H new ATOM 444 N SER A 30 -4.823 -3.895 -7.043 1.00 0.00 N ATOM 445 CA SER A 30 -3.547 -4.534 -7.216 1.00 0.00 C ATOM 446 C SER A 30 -2.472 -3.737 -6.464 1.00 0.00 C ATOM 447 O SER A 30 -2.507 -2.510 -6.442 1.00 0.00 O ATOM 448 CB SER A 30 -3.236 -4.595 -8.702 1.00 0.00 C ATOM 449 OG SER A 30 -4.332 -5.166 -9.394 1.00 0.00 O ATOM 0 H SER A 30 -5.239 -3.566 -7.914 1.00 0.00 H new ATOM 0 HA SER A 30 -3.566 -5.547 -6.813 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.034 -3.594 -9.083 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.337 -5.188 -8.872 1.00 0.00 H new ATOM 0 HG SER A 30 -4.130 -5.203 -10.352 1.00 0.00 H new ATOM 455 N LEU A 31 -1.546 -4.438 -5.862 1.00 0.00 N ATOM 456 CA LEU A 31 -0.518 -3.856 -5.038 1.00 0.00 C ATOM 457 C LEU A 31 0.301 -2.824 -5.781 1.00 0.00 C ATOM 458 O LEU A 31 0.575 -1.773 -5.240 1.00 0.00 O ATOM 459 CB LEU A 31 0.376 -4.938 -4.435 1.00 0.00 C ATOM 460 CG LEU A 31 1.487 -4.451 -3.506 1.00 0.00 C ATOM 461 CD1 LEU A 31 0.916 -3.672 -2.342 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.284 -5.612 -2.997 1.00 0.00 C ATOM 0 H LEU A 31 -1.484 -5.454 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.020 -3.333 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.254 -5.634 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.832 -5.500 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 31 2.139 -3.791 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.727 -3.337 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.369 -2.807 -2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.240 -4.311 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.072 -5.251 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.630 -6.288 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.730 -6.143 -3.838 1.00 0.00 H new ATOM 474 N CYS A 32 0.673 -3.114 -7.013 1.00 0.00 N ATOM 475 CA CYS A 32 1.408 -2.157 -7.825 1.00 0.00 C ATOM 476 C CYS A 32 0.619 -0.855 -7.931 1.00 0.00 C ATOM 477 O CYS A 32 1.152 0.221 -7.687 1.00 0.00 O ATOM 478 CB CYS A 32 1.684 -2.711 -9.222 1.00 0.00 C ATOM 479 SG CYS A 32 2.763 -1.663 -10.219 1.00 0.00 S ATOM 0 H CYS A 32 0.480 -4.003 -7.475 1.00 0.00 H new ATOM 0 HA CYS A 32 2.366 -1.967 -7.341 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.137 -3.698 -9.129 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.737 -2.843 -9.745 1.00 0.00 H new ATOM 0 HG CYS A 32 2.944 -2.210 -11.384 1.00 0.00 H new ATOM 485 N ASP A 33 -0.672 -0.977 -8.189 1.00 0.00 N ATOM 486 CA ASP A 33 -1.556 0.172 -8.311 1.00 0.00 C ATOM 487 C ASP A 33 -1.667 0.895 -6.985 1.00 0.00 C ATOM 488 O ASP A 33 -1.587 2.117 -6.927 1.00 0.00 O ATOM 489 CB ASP A 33 -2.950 -0.257 -8.804 1.00 0.00 C ATOM 490 CG ASP A 33 -2.978 -0.668 -10.253 1.00 0.00 C ATOM 491 OD1 ASP A 33 -2.641 0.166 -11.137 1.00 0.00 O ATOM 492 OD2 ASP A 33 -3.315 -1.830 -10.549 1.00 0.00 O ATOM 0 H ASP A 33 -1.138 -1.875 -8.320 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.129 0.853 -9.047 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.302 -1.088 -8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.648 0.567 -8.655 1.00 0.00 H new ATOM 497 N LEU A 34 -1.782 0.119 -5.925 1.00 0.00 N ATOM 498 CA LEU A 34 -1.912 0.632 -4.559 1.00 0.00 C ATOM 499 C LEU A 34 -0.666 1.422 -4.159 1.00 0.00 C ATOM 500 O LEU A 34 -0.761 2.546 -3.650 1.00 0.00 O ATOM 501 CB LEU A 34 -2.214 -0.558 -3.590 1.00 0.00 C ATOM 502 CG LEU A 34 -2.287 -0.290 -2.064 1.00 0.00 C ATOM 503 CD1 LEU A 34 -3.115 -1.370 -1.395 1.00 0.00 C ATOM 504 CD2 LEU A 34 -0.893 -0.313 -1.440 1.00 0.00 C ATOM 0 H LEU A 34 -1.789 -0.899 -5.980 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.747 1.330 -4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.166 -0.994 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.449 -1.317 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.738 0.691 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.164 -1.179 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.122 -1.366 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.654 -2.342 -1.569 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.970 -0.123 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.438 -1.290 -1.603 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.275 0.457 -1.902 1.00 0.00 H new ATOM 516 N LYS A 35 0.492 0.855 -4.435 1.00 0.00 N ATOM 517 CA LYS A 35 1.754 1.485 -4.107 1.00 0.00 C ATOM 518 C LYS A 35 1.937 2.746 -4.922 1.00 0.00 C ATOM 519 O LYS A 35 2.381 3.767 -4.405 1.00 0.00 O ATOM 520 CB LYS A 35 2.915 0.525 -4.329 1.00 0.00 C ATOM 521 CG LYS A 35 2.797 -0.742 -3.501 1.00 0.00 C ATOM 522 CD LYS A 35 4.040 -1.603 -3.563 1.00 0.00 C ATOM 523 CE LYS A 35 4.407 -2.062 -4.948 1.00 0.00 C ATOM 524 NZ LYS A 35 5.748 -2.686 -4.947 1.00 0.00 N ATOM 0 H LYS A 35 0.584 -0.053 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 35 1.740 1.754 -3.051 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.965 0.260 -5.385 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.850 1.029 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.597 -0.475 -2.463 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.942 -1.321 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.877 -1.043 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.894 -2.478 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.667 -2.776 -5.309 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.394 -1.215 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.952 -3.073 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.463 -1.971 -4.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.773 -3.453 -4.245 1.00 0.00 H new ATOM 538 N LYS A 36 1.554 2.681 -6.191 1.00 0.00 N ATOM 539 CA LYS A 36 1.601 3.838 -7.070 1.00 0.00 C ATOM 540 C LYS A 36 0.692 4.954 -6.566 1.00 0.00 C ATOM 541 O LYS A 36 1.051 6.134 -6.644 1.00 0.00 O ATOM 542 CB LYS A 36 1.233 3.471 -8.515 1.00 0.00 C ATOM 543 CG LYS A 36 2.405 3.133 -9.451 1.00 0.00 C ATOM 544 CD LYS A 36 3.260 1.964 -8.981 1.00 0.00 C ATOM 545 CE LYS A 36 4.275 1.590 -10.053 1.00 0.00 C ATOM 546 NZ LYS A 36 5.099 0.427 -9.675 1.00 0.00 N ATOM 0 H LYS A 36 1.205 1.832 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 36 2.630 4.197 -7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.558 2.616 -8.489 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.678 4.303 -8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.011 2.906 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.039 4.014 -9.555 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.776 2.229 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.625 1.107 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.751 1.372 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.925 2.443 -10.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.917 0.359 -10.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.432 0.541 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.530 -0.440 -9.748 1.00 0.00 H new ATOM 560 N GLN A 37 -0.485 4.599 -6.056 1.00 0.00 N ATOM 561 CA GLN A 37 -1.383 5.601 -5.512 1.00 0.00 C ATOM 562 C GLN A 37 -0.780 6.248 -4.292 1.00 0.00 C ATOM 563 O GLN A 37 -0.670 7.465 -4.234 1.00 0.00 O ATOM 564 CB GLN A 37 -2.757 5.041 -5.160 1.00 0.00 C ATOM 565 CG GLN A 37 -3.591 4.600 -6.341 1.00 0.00 C ATOM 566 CD GLN A 37 -4.982 4.177 -5.919 1.00 0.00 C ATOM 567 OE1 GLN A 37 -5.189 3.692 -4.819 1.00 0.00 O ATOM 568 NE2 GLN A 37 -5.937 4.376 -6.776 1.00 0.00 N ATOM 0 H GLN A 37 -0.831 3.640 -6.010 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.522 6.343 -6.298 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.625 4.191 -4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.311 5.800 -4.607 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.662 5.415 -7.061 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.096 3.770 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.728 4.784 -7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.896 4.125 -6.538 1.00 0.00 H new ATOM 577 N ILE A 38 -0.326 5.426 -3.357 1.00 0.00 N ATOM 578 CA ILE A 38 0.238 5.903 -2.095 1.00 0.00 C ATOM 579 C ILE A 38 1.503 6.740 -2.312 1.00 0.00 C ATOM 580 O ILE A 38 1.613 7.857 -1.785 1.00 0.00 O ATOM 581 CB ILE A 38 0.513 4.733 -1.102 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.808 4.038 -0.733 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.230 5.231 0.159 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.649 2.850 0.192 1.00 0.00 C ATOM 0 H ILE A 38 -0.337 4.410 -3.448 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.515 6.551 -1.646 1.00 0.00 H new ATOM 0 HB ILE A 38 1.169 4.014 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.468 4.765 -0.261 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.300 3.708 -1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.408 4.392 0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.183 5.682 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 38 0.610 5.974 0.661 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.628 2.419 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.017 2.101 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.188 3.174 1.125 1.00 0.00 H new ATOM 596 N MET A 39 2.428 6.235 -3.119 1.00 0.00 N ATOM 597 CA MET A 39 3.677 6.951 -3.369 1.00 0.00 C ATOM 598 C MET A 39 3.436 8.256 -4.086 1.00 0.00 C ATOM 599 O MET A 39 4.075 9.239 -3.787 1.00 0.00 O ATOM 600 CB MET A 39 4.721 6.099 -4.104 1.00 0.00 C ATOM 601 CG MET A 39 5.192 4.886 -3.314 1.00 0.00 C ATOM 602 SD MET A 39 6.587 4.034 -4.068 1.00 0.00 S ATOM 603 CE MET A 39 5.871 3.512 -5.616 1.00 0.00 C ATOM 0 H MET A 39 2.341 5.344 -3.607 1.00 0.00 H new ATOM 0 HA MET A 39 4.096 7.176 -2.388 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.300 5.763 -5.051 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.583 6.723 -4.342 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.470 5.203 -2.309 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.363 4.186 -3.209 1.00 0.00 H new ATOM 0 HE1 MET A 39 6.534 2.795 -6.100 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.904 3.044 -5.430 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.737 4.377 -6.265 1.00 0.00 H new ATOM 613 N GLY A 40 2.492 8.275 -4.998 1.00 0.00 N ATOM 614 CA GLY A 40 2.165 9.510 -5.683 1.00 0.00 C ATOM 615 C GLY A 40 1.454 10.487 -4.756 1.00 0.00 C ATOM 616 O GLY A 40 1.707 11.693 -4.783 1.00 0.00 O ATOM 0 H GLY A 40 1.942 7.464 -5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.077 9.968 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.531 9.294 -6.543 1.00 0.00 H new ATOM 620 N ARG A 41 0.614 9.939 -3.895 1.00 0.00 N ATOM 621 CA ARG A 41 -0.199 10.694 -2.952 1.00 0.00 C ATOM 622 C ARG A 41 0.658 11.448 -1.952 1.00 0.00 C ATOM 623 O ARG A 41 0.419 12.624 -1.684 1.00 0.00 O ATOM 624 CB ARG A 41 -1.166 9.733 -2.234 1.00 0.00 C ATOM 625 CG ARG A 41 -1.876 10.285 -1.008 1.00 0.00 C ATOM 626 CD ARG A 41 -2.782 9.225 -0.396 1.00 0.00 C ATOM 627 NE ARG A 41 -3.192 9.574 0.967 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.094 8.914 1.698 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.914 8.027 1.136 1.00 0.00 N ATOM 630 NH2 ARG A 41 -4.206 9.189 2.986 1.00 0.00 N ATOM 0 H ARG A 41 0.474 8.931 -3.829 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.772 11.440 -3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.921 9.409 -2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.608 8.845 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.142 10.614 -0.272 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.465 11.160 -1.284 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.667 9.100 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.262 8.267 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.752 10.389 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.858 7.844 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.598 7.531 1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.608 9.898 3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.891 8.692 3.556 1.00 0.00 H new ATOM 644 N GLU A 42 1.656 10.792 -1.412 1.00 0.00 N ATOM 645 CA GLU A 42 2.476 11.432 -0.399 1.00 0.00 C ATOM 646 C GLU A 42 3.804 11.879 -0.951 1.00 0.00 C ATOM 647 O GLU A 42 4.644 12.424 -0.222 1.00 0.00 O ATOM 648 CB GLU A 42 2.656 10.532 0.796 1.00 0.00 C ATOM 649 CG GLU A 42 1.328 10.034 1.371 1.00 0.00 C ATOM 650 CD GLU A 42 1.404 9.563 2.808 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.440 9.009 3.229 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.397 9.745 3.543 1.00 0.00 O ATOM 0 H GLU A 42 1.921 9.835 -1.647 1.00 0.00 H new ATOM 0 HA GLU A 42 1.949 12.328 -0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.267 9.675 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.203 11.070 1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.593 10.836 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.963 9.214 0.752 1.00 0.00 H new ATOM 659 N LYS A 43 3.962 11.682 -2.237 1.00 0.00 N ATOM 660 CA LYS A 43 5.137 12.068 -2.990 1.00 0.00 C ATOM 661 C LYS A 43 6.387 11.361 -2.483 1.00 0.00 C ATOM 662 O LYS A 43 7.281 11.965 -1.861 1.00 0.00 O ATOM 663 CB LYS A 43 5.320 13.609 -3.107 1.00 0.00 C ATOM 664 CG LYS A 43 4.132 14.338 -3.732 1.00 0.00 C ATOM 665 CD LYS A 43 3.028 14.617 -2.726 1.00 0.00 C ATOM 666 CE LYS A 43 1.790 15.178 -3.391 1.00 0.00 C ATOM 667 NZ LYS A 43 2.047 16.437 -4.111 1.00 0.00 N ATOM 0 H LYS A 43 3.250 11.232 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 43 4.970 11.727 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.500 14.018 -2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.210 13.813 -3.702 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.473 15.279 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.731 13.739 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.773 13.696 -2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.389 15.321 -1.976 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.393 14.441 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.023 15.347 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.150 16.819 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.479 17.126 -3.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.693 16.257 -4.906 1.00 0.00 H new ATOM 681 N LEU A 44 6.387 10.067 -2.668 1.00 0.00 N ATOM 682 CA LEU A 44 7.491 9.224 -2.309 1.00 0.00 C ATOM 683 C LEU A 44 8.310 8.953 -3.544 1.00 0.00 C ATOM 684 O LEU A 44 7.746 8.655 -4.605 1.00 0.00 O ATOM 685 CB LEU A 44 7.040 7.869 -1.726 1.00 0.00 C ATOM 686 CG LEU A 44 6.601 7.824 -0.255 1.00 0.00 C ATOM 687 CD1 LEU A 44 5.358 8.636 -0.009 1.00 0.00 C ATOM 688 CD2 LEU A 44 6.381 6.394 0.175 1.00 0.00 C ATOM 0 H LEU A 44 5.603 9.562 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 44 8.065 9.745 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.211 7.505 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.861 7.163 -1.851 1.00 0.00 H new ATOM 0 HG LEU A 44 7.401 8.266 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.086 8.574 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.544 9.676 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.542 8.246 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.070 6.372 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.606 5.943 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.308 5.833 0.061 1.00 0.00 H new ATOM 700 N LYS A 45 9.610 9.048 -3.437 1.00 0.00 N ATOM 701 CA LYS A 45 10.456 8.793 -4.541 1.00 0.00 C ATOM 702 C LYS A 45 10.593 7.295 -4.754 1.00 0.00 C ATOM 703 O LYS A 45 11.278 6.589 -3.988 1.00 0.00 O ATOM 704 CB LYS A 45 11.810 9.396 -4.296 1.00 0.00 C ATOM 705 CG LYS A 45 12.729 9.321 -5.467 1.00 0.00 C ATOM 706 CD LYS A 45 14.065 9.948 -5.156 1.00 0.00 C ATOM 707 CE LYS A 45 14.000 11.465 -5.127 1.00 0.00 C ATOM 708 NZ LYS A 45 15.295 12.054 -4.756 1.00 0.00 N ATOM 0 H LYS A 45 10.097 9.305 -2.578 1.00 0.00 H new ATOM 0 HA LYS A 45 10.019 9.242 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 45 11.685 10.441 -4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.274 8.889 -3.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.872 8.279 -5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.277 9.827 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.418 9.584 -4.191 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.794 9.632 -5.902 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.698 11.836 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.237 11.784 -4.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.215 13.091 -4.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 15.571 11.719 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.017 11.769 -5.448 1.00 0.00 H new ATOM 722 N ALA A 46 9.986 6.824 -5.796 1.00 0.00 N ATOM 723 CA ALA A 46 10.021 5.431 -6.161 1.00 0.00 C ATOM 724 C ALA A 46 11.345 5.102 -6.869 1.00 0.00 C ATOM 725 O ALA A 46 11.586 3.971 -7.285 1.00 0.00 O ATOM 726 CB ALA A 46 8.832 5.118 -7.050 1.00 0.00 C ATOM 0 H ALA A 46 9.440 7.403 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 46 9.961 4.813 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.854 4.065 -7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.909 5.332 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.878 5.733 -7.949 1.00 0.00 H new ATOM 732 N ALA A 47 12.209 6.108 -6.986 1.00 0.00 N ATOM 733 CA ALA A 47 13.515 5.935 -7.624 1.00 0.00 C ATOM 734 C ALA A 47 14.595 5.803 -6.562 1.00 0.00 C ATOM 735 O ALA A 47 15.776 5.644 -6.860 1.00 0.00 O ATOM 736 CB ALA A 47 13.817 7.110 -8.550 1.00 0.00 C ATOM 0 H ALA A 47 12.029 7.053 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 47 13.497 5.025 -8.223 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.792 6.965 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 47 13.051 7.170 -9.323 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.825 8.035 -7.973 1.00 0.00 H new ATOM 742 N ASP A 48 14.169 5.885 -5.326 1.00 0.00 N ATOM 743 CA ASP A 48 15.058 5.775 -4.172 1.00 0.00 C ATOM 744 C ASP A 48 14.679 4.540 -3.395 1.00 0.00 C ATOM 745 O ASP A 48 15.527 3.807 -2.883 1.00 0.00 O ATOM 746 CB ASP A 48 14.893 7.018 -3.277 1.00 0.00 C ATOM 747 CG ASP A 48 15.800 7.057 -2.051 1.00 0.00 C ATOM 748 OD1 ASP A 48 15.488 6.422 -1.026 1.00 0.00 O ATOM 749 OD2 ASP A 48 16.818 7.786 -2.075 1.00 0.00 O ATOM 0 H ASP A 48 13.190 6.031 -5.079 1.00 0.00 H new ATOM 0 HA ASP A 48 16.095 5.708 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 48 15.082 7.907 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 48 13.856 7.072 -2.945 1.00 0.00 H new ATOM 754 N CYS A 49 13.399 4.277 -3.355 1.00 0.00 N ATOM 755 CA CYS A 49 12.889 3.197 -2.564 1.00 0.00 C ATOM 756 C CYS A 49 11.719 2.494 -3.245 1.00 0.00 C ATOM 757 O CYS A 49 11.183 2.978 -4.248 1.00 0.00 O ATOM 758 CB CYS A 49 12.457 3.752 -1.216 1.00 0.00 C ATOM 759 SG CYS A 49 11.292 5.136 -1.354 1.00 0.00 S ATOM 0 H CYS A 49 12.689 4.802 -3.866 1.00 0.00 H new ATOM 0 HA CYS A 49 13.675 2.453 -2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.997 2.955 -0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.339 4.081 -0.666 1.00 0.00 H new ATOM 0 HG CYS A 49 11.377 5.658 -2.542 1.00 0.00 H new ATOM 765 N ASP A 50 11.356 1.364 -2.695 1.00 0.00 N ATOM 766 CA ASP A 50 10.247 0.553 -3.138 1.00 0.00 C ATOM 767 C ASP A 50 9.272 0.557 -1.987 1.00 0.00 C ATOM 768 O ASP A 50 9.615 0.987 -0.868 1.00 0.00 O ATOM 769 CB ASP A 50 10.699 -0.907 -3.406 1.00 0.00 C ATOM 770 CG ASP A 50 9.685 -1.766 -4.209 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.509 -1.371 -4.384 1.00 0.00 O ATOM 772 OD2 ASP A 50 10.067 -2.837 -4.721 1.00 0.00 O ATOM 0 H ASP A 50 11.844 0.966 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 50 9.821 0.941 -4.063 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.645 -0.886 -3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.890 -1.395 -2.450 1.00 0.00 H new ATOM 777 N LEU A 51 8.126 0.084 -2.207 1.00 0.00 N ATOM 778 CA LEU A 51 7.145 0.075 -1.213 1.00 0.00 C ATOM 779 C LEU A 51 6.747 -1.385 -0.974 1.00 0.00 C ATOM 780 O LEU A 51 6.408 -2.105 -1.903 1.00 0.00 O ATOM 781 CB LEU A 51 5.986 0.990 -1.653 1.00 0.00 C ATOM 782 CG LEU A 51 4.956 1.343 -0.606 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.639 1.990 0.575 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.926 2.293 -1.177 1.00 0.00 C ATOM 0 H LEU A 51 7.832 -0.317 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 51 7.495 0.474 -0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.413 1.918 -2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.472 0.509 -2.485 1.00 0.00 H new ATOM 0 HG LEU A 51 4.453 0.430 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.896 2.245 1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.365 1.297 1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.150 2.896 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.191 2.537 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.419 3.206 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.425 1.821 -2.022 1.00 0.00 H new ATOM 796 N GLN A 52 6.875 -1.829 0.245 1.00 0.00 N ATOM 797 CA GLN A 52 6.632 -3.209 0.595 1.00 0.00 C ATOM 798 C GLN A 52 5.438 -3.288 1.542 1.00 0.00 C ATOM 799 O GLN A 52 5.458 -2.719 2.629 1.00 0.00 O ATOM 800 CB GLN A 52 7.865 -3.746 1.278 1.00 0.00 C ATOM 801 CG GLN A 52 7.983 -5.257 1.322 1.00 0.00 C ATOM 802 CD GLN A 52 9.177 -5.684 2.139 1.00 0.00 C ATOM 803 OE1 GLN A 52 9.545 -5.018 3.090 1.00 0.00 O ATOM 804 NE2 GLN A 52 9.806 -6.757 1.780 1.00 0.00 N ATOM 0 H GLN A 52 7.153 -1.243 1.032 1.00 0.00 H new ATOM 0 HA GLN A 52 6.414 -3.797 -0.297 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.743 -3.345 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.886 -3.368 2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.075 -5.684 1.748 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.073 -5.648 0.308 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.477 -7.297 0.980 1.00 0.00 H new ATOM 0 HE22 GLN A 52 10.630 -7.062 2.298 1.00 0.00 H new ATOM 813 N ILE A 53 4.408 -3.968 1.147 1.00 0.00 N ATOM 814 CA ILE A 53 3.208 -4.018 1.955 1.00 0.00 C ATOM 815 C ILE A 53 3.067 -5.373 2.643 1.00 0.00 C ATOM 816 O ILE A 53 3.270 -6.414 2.043 1.00 0.00 O ATOM 817 CB ILE A 53 1.902 -3.619 1.139 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.823 -2.098 0.859 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.631 -4.035 1.857 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.925 -1.492 0.024 1.00 0.00 C ATOM 0 H ILE A 53 4.363 -4.497 0.276 1.00 0.00 H new ATOM 0 HA ILE A 53 3.314 -3.262 2.733 1.00 0.00 H new ATOM 0 HB ILE A 53 1.981 -4.156 0.194 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.873 -1.895 0.364 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.801 -1.579 1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.235 -3.742 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.628 -5.116 1.994 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.586 -3.546 2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.746 -0.423 -0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.884 -1.647 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.942 -1.968 -0.957 1.00 0.00 H new ATOM 832 N THR A 54 2.785 -5.337 3.903 1.00 0.00 N ATOM 833 CA THR A 54 2.584 -6.514 4.693 1.00 0.00 C ATOM 834 C THR A 54 1.126 -6.529 5.129 1.00 0.00 C ATOM 835 O THR A 54 0.534 -5.490 5.257 1.00 0.00 O ATOM 836 CB THR A 54 3.496 -6.446 5.935 1.00 0.00 C ATOM 837 OG1 THR A 54 4.846 -6.221 5.510 1.00 0.00 O ATOM 838 CG2 THR A 54 3.427 -7.726 6.759 1.00 0.00 C ATOM 0 H THR A 54 2.685 -4.468 4.428 1.00 0.00 H new ATOM 0 HA THR A 54 2.822 -7.414 4.126 1.00 0.00 H new ATOM 0 HB THR A 54 3.152 -5.627 6.567 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.432 -6.175 6.294 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.084 -7.637 7.625 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.403 -7.887 7.095 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.745 -8.570 6.147 1.00 0.00 H new ATOM 846 N ASN A 55 0.542 -7.673 5.292 1.00 0.00 N ATOM 847 CA ASN A 55 -0.817 -7.740 5.792 1.00 0.00 C ATOM 848 C ASN A 55 -0.794 -7.460 7.280 1.00 0.00 C ATOM 849 O ASN A 55 0.125 -7.887 7.965 1.00 0.00 O ATOM 850 CB ASN A 55 -1.405 -9.103 5.547 1.00 0.00 C ATOM 851 CG ASN A 55 -2.881 -9.121 5.735 1.00 0.00 C ATOM 852 OD1 ASN A 55 -3.373 -9.254 6.832 1.00 0.00 O ATOM 853 ND2 ASN A 55 -3.585 -9.057 4.688 1.00 0.00 N ATOM 0 H ASN A 55 0.972 -8.576 5.091 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.430 -7.003 5.273 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.166 -9.423 4.533 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -0.945 -9.822 6.225 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.601 -9.118 4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.137 -8.945 3.778 1.00 0.00 H new ATOM 860 N ALA A 56 -1.775 -6.746 7.782 1.00 0.00 N ATOM 861 CA ALA A 56 -1.809 -6.413 9.202 1.00 0.00 C ATOM 862 C ALA A 56 -2.315 -7.586 10.024 1.00 0.00 C ATOM 863 O ALA A 56 -1.933 -7.766 11.174 1.00 0.00 O ATOM 864 CB ALA A 56 -2.682 -5.194 9.443 1.00 0.00 C ATOM 0 H ALA A 56 -2.559 -6.383 7.239 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.791 -6.185 9.517 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.695 -4.961 10.508 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.281 -4.344 8.890 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.697 -5.401 9.104 1.00 0.00 H new ATOM 870 N GLN A 57 -3.132 -8.394 9.408 1.00 0.00 N ATOM 871 CA GLN A 57 -3.774 -9.506 10.074 1.00 0.00 C ATOM 872 C GLN A 57 -2.977 -10.792 9.901 1.00 0.00 C ATOM 873 O GLN A 57 -2.623 -11.464 10.880 1.00 0.00 O ATOM 874 CB GLN A 57 -5.169 -9.696 9.498 1.00 0.00 C ATOM 875 CG GLN A 57 -6.054 -8.473 9.620 1.00 0.00 C ATOM 876 CD GLN A 57 -7.395 -8.654 8.953 1.00 0.00 C ATOM 877 OE1 GLN A 57 -7.923 -9.768 8.865 1.00 0.00 O ATOM 878 NE2 GLN A 57 -7.964 -7.581 8.486 1.00 0.00 N ATOM 0 H GLN A 57 -3.377 -8.303 8.422 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.830 -9.282 11.139 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.083 -9.967 8.446 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.650 -10.533 10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.206 -8.244 10.675 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.546 -7.616 9.177 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.500 -6.677 8.576 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.874 -7.644 8.030 1.00 0.00 H new ATOM 887 N THR A 58 -2.671 -11.137 8.667 1.00 0.00 N ATOM 888 CA THR A 58 -2.013 -12.397 8.401 1.00 0.00 C ATOM 889 C THR A 58 -0.520 -12.223 8.570 1.00 0.00 C ATOM 890 O THR A 58 0.208 -13.175 8.863 1.00 0.00 O ATOM 891 CB THR A 58 -2.322 -12.913 6.966 1.00 0.00 C ATOM 892 OG1 THR A 58 -1.704 -12.058 5.998 1.00 0.00 O ATOM 893 CG2 THR A 58 -3.822 -12.899 6.715 1.00 0.00 C ATOM 0 H THR A 58 -2.865 -10.569 7.842 1.00 0.00 H new ATOM 0 HA THR A 58 -2.389 -13.136 9.108 1.00 0.00 H new ATOM 0 HB THR A 58 -1.936 -13.929 6.878 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.901 -12.389 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.026 -13.262 5.708 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.318 -13.544 7.440 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.198 -11.881 6.817 1.00 0.00 H new ATOM 901 N LYS A 59 -0.093 -10.968 8.446 1.00 0.00 N ATOM 902 CA LYS A 59 1.296 -10.568 8.481 1.00 0.00 C ATOM 903 C LYS A 59 2.060 -11.122 7.299 1.00 0.00 C ATOM 904 O LYS A 59 3.290 -11.220 7.332 1.00 0.00 O ATOM 905 CB LYS A 59 1.978 -10.906 9.813 1.00 0.00 C ATOM 906 CG LYS A 59 1.378 -10.197 11.033 1.00 0.00 C ATOM 907 CD LYS A 59 1.352 -8.663 10.885 1.00 0.00 C ATOM 908 CE LYS A 59 2.727 -8.057 10.557 1.00 0.00 C ATOM 909 NZ LYS A 59 3.740 -8.324 11.592 1.00 0.00 N ATOM 0 H LYS A 59 -0.731 -10.183 8.315 1.00 0.00 H new ATOM 0 HA LYS A 59 1.310 -9.481 8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.923 -11.983 9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.034 -10.647 9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.362 -10.558 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.954 -10.461 11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.647 -8.393 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.981 -8.222 11.810 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.075 -8.457 9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.621 -6.980 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.643 -7.891 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.426 -7.919 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.867 -9.351 11.697 1.00 0.00 H new ATOM 923 N GLU A 60 1.336 -11.437 6.230 1.00 0.00 N ATOM 924 CA GLU A 60 1.974 -11.914 5.037 1.00 0.00 C ATOM 925 C GLU A 60 2.537 -10.731 4.284 1.00 0.00 C ATOM 926 O GLU A 60 1.856 -9.717 4.109 1.00 0.00 O ATOM 927 CB GLU A 60 1.005 -12.705 4.156 1.00 0.00 C ATOM 928 CG GLU A 60 1.660 -13.310 2.919 1.00 0.00 C ATOM 929 CD GLU A 60 2.818 -14.218 3.268 1.00 0.00 C ATOM 930 OE1 GLU A 60 3.960 -13.721 3.417 1.00 0.00 O ATOM 931 OE2 GLU A 60 2.628 -15.437 3.395 1.00 0.00 O ATOM 0 H GLU A 60 0.320 -11.367 6.177 1.00 0.00 H new ATOM 0 HA GLU A 60 2.778 -12.596 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.558 -13.504 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.193 -12.048 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.916 -13.874 2.356 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.012 -12.509 2.269 1.00 0.00 H new ATOM 938 N GLU A 61 3.757 -10.846 3.877 1.00 0.00 N ATOM 939 CA GLU A 61 4.426 -9.818 3.199 1.00 0.00 C ATOM 940 C GLU A 61 4.248 -9.953 1.730 1.00 0.00 C ATOM 941 O GLU A 61 4.673 -10.937 1.116 1.00 0.00 O ATOM 942 CB GLU A 61 5.868 -9.835 3.583 1.00 0.00 C ATOM 943 CG GLU A 61 6.060 -9.358 4.986 1.00 0.00 C ATOM 944 CD GLU A 61 7.418 -9.621 5.542 1.00 0.00 C ATOM 945 OE1 GLU A 61 8.371 -8.924 5.196 1.00 0.00 O ATOM 946 OE2 GLU A 61 7.567 -10.545 6.357 1.00 0.00 O ATOM 0 H GLU A 61 4.320 -11.685 4.017 1.00 0.00 H new ATOM 0 HA GLU A 61 4.001 -8.856 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.262 -10.847 3.483 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.436 -9.203 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.866 -8.286 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.319 -9.838 5.625 1.00 0.00 H new ATOM 953 N TYR A 62 3.627 -8.981 1.174 1.00 0.00 N ATOM 954 CA TYR A 62 3.365 -8.952 -0.228 1.00 0.00 C ATOM 955 C TYR A 62 4.559 -8.345 -0.910 1.00 0.00 C ATOM 956 O TYR A 62 4.712 -7.116 -0.984 1.00 0.00 O ATOM 957 CB TYR A 62 2.114 -8.143 -0.539 1.00 0.00 C ATOM 958 CG TYR A 62 0.881 -8.611 0.185 1.00 0.00 C ATOM 959 CD1 TYR A 62 0.244 -9.791 -0.166 1.00 0.00 C ATOM 960 CD2 TYR A 62 0.362 -7.871 1.226 1.00 0.00 C ATOM 961 CE1 TYR A 62 -0.881 -10.216 0.508 1.00 0.00 C ATOM 962 CE2 TYR A 62 -0.754 -8.279 1.906 1.00 0.00 C ATOM 963 CZ TYR A 62 -1.378 -9.455 1.548 1.00 0.00 C ATOM 964 OH TYR A 62 -2.501 -9.875 2.232 1.00 0.00 O ATOM 0 H TYR A 62 3.278 -8.168 1.681 1.00 0.00 H new ATOM 0 HA TYR A 62 3.192 -9.966 -0.588 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.297 -7.099 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.928 -8.181 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 62 0.634 -10.386 -0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.847 -6.949 1.511 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.370 -11.137 0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.143 -7.683 2.718 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.542 -10.854 2.223 1.00 0.00 H new ATOM 974 N THR A 63 5.434 -9.186 -1.336 1.00 0.00 N ATOM 975 CA THR A 63 6.634 -8.760 -1.949 1.00 0.00 C ATOM 976 C THR A 63 6.462 -8.680 -3.456 1.00 0.00 C ATOM 977 O THR A 63 7.301 -8.138 -4.166 1.00 0.00 O ATOM 978 CB THR A 63 7.790 -9.681 -1.528 1.00 0.00 C ATOM 979 OG1 THR A 63 7.391 -11.059 -1.675 1.00 0.00 O ATOM 980 CG2 THR A 63 8.141 -9.419 -0.068 1.00 0.00 C ATOM 0 H THR A 63 5.332 -10.199 -1.266 1.00 0.00 H new ATOM 0 HA THR A 63 6.883 -7.754 -1.612 1.00 0.00 H new ATOM 0 HB THR A 63 8.656 -9.481 -2.159 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.130 -11.644 -1.408 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.961 -10.072 0.232 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.443 -8.379 0.053 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.271 -9.619 0.557 1.00 0.00 H new ATOM 988 N ASP A 64 5.349 -9.201 -3.919 1.00 0.00 N ATOM 989 CA ASP A 64 4.981 -9.142 -5.310 1.00 0.00 C ATOM 990 C ASP A 64 3.971 -8.077 -5.492 1.00 0.00 C ATOM 991 O ASP A 64 2.965 -8.050 -4.792 1.00 0.00 O ATOM 992 CB ASP A 64 4.361 -10.439 -5.793 1.00 0.00 C ATOM 993 CG ASP A 64 5.318 -11.585 -5.863 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.987 -11.756 -6.899 1.00 0.00 O ATOM 995 OD2 ASP A 64 5.401 -12.358 -4.896 1.00 0.00 O ATOM 0 H ASP A 64 4.668 -9.682 -3.332 1.00 0.00 H new ATOM 0 HA ASP A 64 5.890 -8.951 -5.880 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.539 -10.706 -5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.931 -10.278 -6.782 1.00 0.00 H new ATOM 1000 N ASP A 65 4.177 -7.248 -6.466 1.00 0.00 N ATOM 1001 CA ASP A 65 3.274 -6.144 -6.733 1.00 0.00 C ATOM 1002 C ASP A 65 2.037 -6.601 -7.484 1.00 0.00 C ATOM 1003 O ASP A 65 1.122 -5.815 -7.751 1.00 0.00 O ATOM 1004 CB ASP A 65 3.973 -4.981 -7.444 1.00 0.00 C ATOM 1005 CG ASP A 65 4.504 -5.349 -8.811 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.568 -5.996 -8.890 1.00 0.00 O ATOM 1007 OD2 ASP A 65 3.863 -5.021 -9.817 1.00 0.00 O ATOM 0 H ASP A 65 4.970 -7.306 -7.104 1.00 0.00 H new ATOM 0 HA ASP A 65 2.945 -5.766 -5.765 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.272 -4.152 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.797 -4.628 -6.824 1.00 0.00 H new ATOM 1012 N ASN A 66 1.988 -7.879 -7.755 1.00 0.00 N ATOM 1013 CA ASN A 66 0.867 -8.492 -8.433 1.00 0.00 C ATOM 1014 C ASN A 66 -0.176 -8.980 -7.426 1.00 0.00 C ATOM 1015 O ASN A 66 -1.196 -9.562 -7.799 1.00 0.00 O ATOM 1016 CB ASN A 66 1.340 -9.629 -9.348 1.00 0.00 C ATOM 1017 CG ASN A 66 1.880 -10.843 -8.644 1.00 0.00 C ATOM 1018 OD1 ASN A 66 3.145 -10.839 -8.445 1.00 0.00 O flip ATOM 1019 ND2 ASN A 66 1.163 -11.775 -8.297 1.00 0.00 N flip ATOM 0 H ASN A 66 2.731 -8.534 -7.510 1.00 0.00 H new ATOM 0 HA ASN A 66 0.392 -7.739 -9.061 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.505 -9.937 -9.978 1.00 0.00 H new ATOM 0 HB3 ASN A 66 2.113 -9.241 -10.011 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.159 -11.739 -8.474 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.570 -12.586 -7.831 1.00 0.00 H new ATOM 1026 N ALA A 67 0.090 -8.736 -6.147 1.00 0.00 N ATOM 1027 CA ALA A 67 -0.849 -9.058 -5.088 1.00 0.00 C ATOM 1028 C ALA A 67 -2.014 -8.074 -5.148 1.00 0.00 C ATOM 1029 O ALA A 67 -1.861 -6.999 -5.678 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.159 -8.977 -3.735 1.00 0.00 C ATOM 0 H ALA A 67 0.958 -8.312 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.221 -10.074 -5.221 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.872 -9.220 -2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.669 -9.685 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.221 -7.967 -3.580 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.160 -8.448 -4.669 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.300 -7.552 -4.669 1.00 0.00 C ATOM 1038 C LEU A 68 -4.737 -7.301 -3.237 1.00 0.00 C ATOM 1039 O LEU A 68 -4.724 -8.225 -2.418 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.445 -8.122 -5.536 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.195 -9.345 -4.991 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.375 -8.911 -4.158 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.626 -10.271 -6.103 1.00 0.00 C ATOM 0 H LEU A 68 -3.342 -9.369 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.018 -6.597 -5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.171 -7.326 -5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.032 -8.385 -6.510 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.510 -9.903 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.896 -9.790 -3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.027 -8.307 -3.320 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.057 -8.322 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.154 -11.126 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.287 -9.737 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.748 -10.619 -6.647 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.052 -6.083 -2.900 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.535 -5.805 -1.569 1.00 0.00 C ATOM 1057 C ILE A 69 -6.948 -5.216 -1.626 1.00 0.00 C ATOM 1058 O ILE A 69 -7.179 -4.174 -2.246 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.590 -4.884 -0.707 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.188 -5.499 -0.522 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.206 -4.610 0.664 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.257 -5.369 -1.708 1.00 0.00 C ATOM 0 H ILE A 69 -4.986 -5.273 -3.516 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.550 -6.767 -1.057 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.481 -3.948 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.716 -5.030 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.303 -6.557 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.537 -3.973 1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.166 -4.109 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.355 -5.552 1.191 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.300 -5.834 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.698 -5.865 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.102 -4.314 -1.935 1.00 0.00 H new ATOM 1074 N PRO A 70 -7.915 -5.930 -1.061 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.293 -5.475 -0.968 1.00 0.00 C ATOM 1076 C PRO A 70 -9.541 -4.490 0.177 1.00 0.00 C ATOM 1077 O PRO A 70 -8.834 -4.488 1.192 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.074 -6.761 -0.728 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.106 -7.672 -0.053 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.742 -7.282 -0.509 1.00 0.00 C ATOM 0 HA PRO A 70 -9.584 -4.928 -1.865 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.950 -6.582 -0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.432 -7.188 -1.665 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.189 -7.586 1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.314 -8.711 -0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.030 -7.286 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.362 -7.973 -1.261 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.588 -3.692 0.009 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.044 -2.689 1.002 1.00 0.00 C ATOM 1090 C LYS A 71 -11.384 -3.310 2.361 1.00 0.00 C ATOM 1091 O LYS A 71 -11.385 -2.638 3.382 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.280 -1.951 0.473 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.259 -2.873 -0.218 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.640 -2.282 -0.438 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.425 -2.228 0.858 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.810 -1.777 0.645 1.00 0.00 N ATOM 0 H LYS A 71 -11.164 -3.713 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.214 -1.998 1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.781 -1.450 1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.964 -1.175 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.845 -3.163 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.358 -3.784 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.547 -1.278 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.182 -2.880 -1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.432 -3.216 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.927 -1.554 1.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.312 -1.754 1.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.805 -0.824 0.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.294 -2.434 -0.000 1.00 0.00 H new ATOM 1110 N ASN A 72 -11.655 -4.585 2.366 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.045 -5.293 3.584 1.00 0.00 C ATOM 1112 C ASN A 72 -10.829 -5.792 4.357 1.00 0.00 C ATOM 1113 O ASN A 72 -10.964 -6.423 5.411 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.007 -6.457 3.264 1.00 0.00 C ATOM 1115 CG ASN A 72 -12.425 -7.517 2.328 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -11.227 -7.788 2.320 1.00 0.00 O ATOM 1117 ND2 ASN A 72 -13.261 -8.083 1.510 1.00 0.00 N ATOM 0 H ASN A 72 -11.616 -5.175 1.535 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.571 -4.581 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.302 -6.936 4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.913 -6.051 2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.928 -8.773 0.837 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.250 -7.837 1.541 1.00 0.00 H new ATOM 1124 N SER A 73 -9.660 -5.547 3.826 1.00 0.00 N ATOM 1125 CA SER A 73 -8.447 -5.995 4.444 1.00 0.00 C ATOM 1126 C SER A 73 -7.615 -4.825 4.948 1.00 0.00 C ATOM 1127 O SER A 73 -7.675 -3.725 4.394 1.00 0.00 O ATOM 1128 CB SER A 73 -7.663 -6.836 3.455 1.00 0.00 C ATOM 1129 OG SER A 73 -8.385 -8.018 3.119 1.00 0.00 O ATOM 0 H SER A 73 -9.525 -5.033 2.956 1.00 0.00 H new ATOM 0 HA SER A 73 -8.698 -6.604 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.464 -6.256 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.696 -7.103 3.882 1.00 0.00 H new ATOM 0 HG SER A 73 -9.331 -7.797 2.988 1.00 0.00 H new ATOM 1135 N SER A 74 -6.884 -5.054 6.007 1.00 0.00 N ATOM 1136 CA SER A 74 -6.015 -4.070 6.578 1.00 0.00 C ATOM 1137 C SER A 74 -4.561 -4.469 6.324 1.00 0.00 C ATOM 1138 O SER A 74 -4.177 -5.645 6.519 1.00 0.00 O ATOM 1139 CB SER A 74 -6.319 -3.956 8.067 1.00 0.00 C ATOM 1140 OG SER A 74 -6.418 -5.252 8.661 1.00 0.00 O ATOM 0 H SER A 74 -6.879 -5.946 6.502 1.00 0.00 H new ATOM 0 HA SER A 74 -6.176 -3.095 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.535 -3.383 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.252 -3.411 8.213 1.00 0.00 H new ATOM 0 HG SER A 74 -6.612 -5.160 9.617 1.00 0.00 H new ATOM 1146 N VAL A 75 -3.764 -3.538 5.864 1.00 0.00 N ATOM 1147 CA VAL A 75 -2.384 -3.826 5.541 1.00 0.00 C ATOM 1148 C VAL A 75 -1.409 -2.790 6.135 1.00 0.00 C ATOM 1149 O VAL A 75 -1.801 -1.689 6.524 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.154 -4.000 3.996 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -2.814 -5.273 3.477 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -2.685 -2.813 3.210 1.00 0.00 C ATOM 0 H VAL A 75 -4.045 -2.571 5.703 1.00 0.00 H new ATOM 0 HA VAL A 75 -2.163 -4.784 6.012 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.076 -4.066 3.850 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.636 -5.364 2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.391 -6.137 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.887 -5.229 3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.507 -2.972 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.755 -2.709 3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.174 -1.906 3.532 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.167 -3.176 6.227 1.00 0.00 N ATOM 1163 CA ILE A 76 0.903 -2.358 6.748 1.00 0.00 C ATOM 1164 C ILE A 76 1.773 -1.966 5.570 1.00 0.00 C ATOM 1165 O ILE A 76 2.236 -2.828 4.823 1.00 0.00 O ATOM 1166 CB ILE A 76 1.792 -3.148 7.759 1.00 0.00 C ATOM 1167 CG1 ILE A 76 0.949 -3.826 8.859 1.00 0.00 C ATOM 1168 CG2 ILE A 76 2.857 -2.239 8.384 1.00 0.00 C ATOM 1169 CD1 ILE A 76 0.130 -2.877 9.705 1.00 0.00 C ATOM 0 H ILE A 76 0.144 -4.102 5.932 1.00 0.00 H new ATOM 0 HA ILE A 76 0.478 -1.498 7.266 1.00 0.00 H new ATOM 0 HB ILE A 76 2.294 -3.934 7.195 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.277 -4.545 8.391 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.615 -4.390 9.512 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.462 -2.815 9.084 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.496 -1.835 7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.371 -1.420 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.429 -3.443 10.450 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.793 -2.172 10.207 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.566 -2.330 9.069 1.00 0.00 H new ATOM 1181 N VAL A 77 1.987 -0.708 5.397 1.00 0.00 N ATOM 1182 CA VAL A 77 2.744 -0.212 4.287 1.00 0.00 C ATOM 1183 C VAL A 77 4.132 0.217 4.759 1.00 0.00 C ATOM 1184 O VAL A 77 4.292 1.211 5.482 1.00 0.00 O ATOM 1185 CB VAL A 77 2.004 0.955 3.604 1.00 0.00 C ATOM 1186 CG1 VAL A 77 2.740 1.414 2.384 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.598 0.543 3.238 1.00 0.00 C ATOM 0 H VAL A 77 1.641 0.017 6.025 1.00 0.00 H new ATOM 0 HA VAL A 77 2.859 -1.007 3.550 1.00 0.00 H new ATOM 0 HB VAL A 77 1.957 1.785 4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.198 2.238 1.920 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.738 1.750 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.821 0.589 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.088 1.377 2.757 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.634 -0.304 2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.056 0.258 4.140 1.00 0.00 H new ATOM 1197 N ARG A 78 5.112 -0.536 4.368 1.00 0.00 N ATOM 1198 CA ARG A 78 6.465 -0.335 4.796 1.00 0.00 C ATOM 1199 C ARG A 78 7.313 0.087 3.601 1.00 0.00 C ATOM 1200 O ARG A 78 7.271 -0.534 2.560 1.00 0.00 O ATOM 1201 CB ARG A 78 6.962 -1.653 5.406 1.00 0.00 C ATOM 1202 CG ARG A 78 8.340 -1.620 6.027 1.00 0.00 C ATOM 1203 CD ARG A 78 8.633 -2.943 6.733 1.00 0.00 C ATOM 1204 NE ARG A 78 8.738 -4.091 5.812 1.00 0.00 N ATOM 1205 CZ ARG A 78 8.498 -5.377 6.152 1.00 0.00 C ATOM 1206 NH1 ARG A 78 7.979 -5.684 7.336 1.00 0.00 N ATOM 1207 NH2 ARG A 78 8.778 -6.337 5.290 1.00 0.00 N ATOM 0 H ARG A 78 4.994 -1.323 3.730 1.00 0.00 H new ATOM 0 HA ARG A 78 6.535 0.454 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.250 -1.969 6.168 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.955 -2.416 4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.089 -1.437 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.406 -0.797 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.564 -2.849 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.844 -3.141 7.459 1.00 0.00 H new ATOM 0 HE ARG A 78 9.012 -3.900 4.848 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.756 -4.945 8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.803 -6.659 7.579 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.171 -6.105 4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.601 -7.311 5.536 1.00 0.00 H new ATOM 1221 N ARG A 79 8.048 1.146 3.736 1.00 0.00 N ATOM 1222 CA ARG A 79 8.868 1.619 2.639 1.00 0.00 C ATOM 1223 C ARG A 79 10.237 0.988 2.768 1.00 0.00 C ATOM 1224 O ARG A 79 10.830 1.014 3.860 1.00 0.00 O ATOM 1225 CB ARG A 79 8.968 3.141 2.666 1.00 0.00 C ATOM 1226 CG ARG A 79 9.619 3.737 1.441 1.00 0.00 C ATOM 1227 CD ARG A 79 9.694 5.246 1.543 1.00 0.00 C ATOM 1228 NE ARG A 79 10.639 5.700 2.570 1.00 0.00 N ATOM 1229 CZ ARG A 79 10.587 6.893 3.177 1.00 0.00 C ATOM 1230 NH1 ARG A 79 9.555 7.715 2.964 1.00 0.00 N ATOM 1231 NH2 ARG A 79 11.548 7.259 4.003 1.00 0.00 N ATOM 0 H ARG A 79 8.105 1.705 4.587 1.00 0.00 H new ATOM 0 HA ARG A 79 8.420 1.337 1.686 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.967 3.559 2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.534 3.442 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.622 3.327 1.323 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.053 3.457 0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.989 5.657 0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.703 5.640 1.768 1.00 0.00 H new ATOM 0 HE ARG A 79 11.388 5.062 2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.801 7.435 2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 79 9.521 8.622 3.429 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.333 6.633 4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.506 8.168 4.464 1.00 0.00 H new ATOM 1245 N ILE A 80 10.732 0.407 1.705 1.00 0.00 N ATOM 1246 CA ILE A 80 11.990 -0.302 1.759 1.00 0.00 C ATOM 1247 C ILE A 80 12.905 0.149 0.622 1.00 0.00 C ATOM 1248 O ILE A 80 12.429 0.624 -0.385 1.00 0.00 O ATOM 1249 CB ILE A 80 11.771 -1.871 1.760 1.00 0.00 C ATOM 1250 CG1 ILE A 80 11.094 -2.403 0.488 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.959 -2.309 2.959 1.00 0.00 C ATOM 1252 CD1 ILE A 80 12.046 -2.767 -0.614 1.00 0.00 C ATOM 0 H ILE A 80 10.284 0.410 0.789 1.00 0.00 H new ATOM 0 HA ILE A 80 12.483 -0.056 2.699 1.00 0.00 H new ATOM 0 HB ILE A 80 12.774 -2.295 1.803 1.00 0.00 H new ATOM 0 HG12 ILE A 80 10.503 -3.282 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.400 -1.649 0.118 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.825 -3.390 2.932 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.482 -2.030 3.874 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.984 -1.822 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 80 11.485 -3.133 -1.474 1.00 0.00 H new ATOM 0 HD12 ILE A 80 12.621 -1.887 -0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.725 -3.545 -0.266 1.00 0.00 H new ATOM 1264 N PRO A 81 14.220 0.055 0.779 1.00 0.00 N ATOM 1265 CA PRO A 81 15.158 0.431 -0.286 1.00 0.00 C ATOM 1266 C PRO A 81 15.052 -0.530 -1.483 1.00 0.00 C ATOM 1267 O PRO A 81 14.977 -1.740 -1.307 1.00 0.00 O ATOM 1268 CB PRO A 81 16.531 0.305 0.390 1.00 0.00 C ATOM 1269 CG PRO A 81 16.309 -0.644 1.514 1.00 0.00 C ATOM 1270 CD PRO A 81 14.914 -0.404 1.991 1.00 0.00 C ATOM 0 HA PRO A 81 14.965 1.426 -0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.282 -0.072 -0.305 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.886 1.271 0.750 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.436 -1.675 1.184 1.00 0.00 H new ATOM 0 HG3 PRO A 81 17.029 -0.475 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 81 14.464 -1.312 2.394 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.882 0.345 2.782 1.00 0.00 H new