USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 650 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 58 ASN : amide:sc= 0.19 K(o=-3.9,f=-4.5) USER MOD Set 1.2: A 60 TYR OH : rot -149:sc= -4.1! USER MOD Set 2.1: A 50 SER OG : rot 155:sc= -1.83! USER MOD Set 2.2: A 54 ASN : amide:sc= -3.83! C(o=-5.7!,f=-5.5!) USER MOD Set 3.1: A 14 GLN : amide:sc= -5.2! C(o=-9.1!,f=-6.4!) USER MOD Set 3.2: A 37 TYR OH : rot -140:sc= -3.89! USER MOD Set 4.1: A 8 TYR OH : rot -30:sc= -1.11! USER MOD Set 4.2: A 40 TYR OH : rot -43:sc= -2.32! USER MOD Set 5.1: A 6 TYR OH : rot 38:sc= 0.00126 USER MOD Set 5.2: A 94 LYS NZ :NH3+ -144:sc= -0.223 (180deg=-1.28!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -10.4! C(o=-10!,f=-14!) USER MOD Single : A 17 SER OG : rot -53:sc= 0.25 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.439 K(o=-0.44,f=-2.9!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0257 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -114:sc= 0.75 USER MOD Single : A 32 HIS : no HD1:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 34 THR OG1 : rot -77:sc= -0.778 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 64:sc= 0.115 USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= -0.0344 (180deg=-0.263) USER MOD Single : A 48 GLN : amide:sc= -4.8! C(o=-4.8!,f=-6.1!) USER MOD Single : A 49 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.5!) USER MOD Single : A 53 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= -1.48! USER MOD Single : A 86 LYS NZ :NH3+ -102:sc= -0.0128 (180deg=-0.726) USER MOD Single : A 90 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.506 2.485 -7.131 1.00 0.00 N ATOM 80 CA TYR A 6 8.867 1.659 -8.195 1.00 0.00 C ATOM 81 C TYR A 6 7.872 2.512 -8.981 1.00 0.00 C ATOM 82 O TYR A 6 7.302 3.453 -8.466 1.00 0.00 O ATOM 83 CB TYR A 6 8.134 0.480 -7.554 1.00 0.00 C ATOM 84 CG TYR A 6 9.020 -0.141 -6.503 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.038 0.387 -5.208 1.00 0.00 C ATOM 86 CD2 TYR A 6 9.827 -1.239 -6.824 1.00 0.00 C ATOM 87 CE1 TYR A 6 9.863 -0.183 -4.232 1.00 0.00 C ATOM 88 CE2 TYR A 6 10.652 -1.809 -5.849 1.00 0.00 C ATOM 89 CZ TYR A 6 10.670 -1.281 -4.553 1.00 0.00 C ATOM 90 OH TYR A 6 11.484 -1.843 -3.590 1.00 0.00 O ATOM 0 HA TYR A 6 9.635 1.286 -8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.199 0.817 -7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.876 -0.259 -8.312 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.415 1.234 -4.961 1.00 0.00 H new ATOM 0 HD2 TYR A 6 9.813 -1.646 -7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.877 0.224 -3.232 1.00 0.00 H new ATOM 0 HE2 TYR A 6 11.275 -2.656 -6.096 1.00 0.00 H new ATOM 0 HH TYR A 6 11.021 -1.838 -2.726 1.00 0.00 H new ATOM 100 N SER A 7 7.656 2.187 -10.226 1.00 0.00 N ATOM 101 CA SER A 7 6.693 2.976 -11.038 1.00 0.00 C ATOM 102 C SER A 7 5.396 3.123 -10.247 1.00 0.00 C ATOM 103 O SER A 7 5.245 2.555 -9.185 1.00 0.00 O ATOM 104 CB SER A 7 6.410 2.241 -12.347 1.00 0.00 C ATOM 105 OG SER A 7 7.427 2.552 -13.292 1.00 0.00 O ATOM 0 H SER A 7 8.104 1.411 -10.713 1.00 0.00 H new ATOM 0 HA SER A 7 7.109 3.959 -11.261 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.376 1.165 -12.173 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.435 2.532 -12.737 1.00 0.00 H new ATOM 0 HG SER A 7 7.248 2.080 -14.132 1.00 0.00 H new ATOM 111 N TYR A 8 4.456 3.875 -10.743 1.00 0.00 N ATOM 112 CA TYR A 8 3.184 4.030 -9.988 1.00 0.00 C ATOM 113 C TYR A 8 2.266 2.850 -10.300 1.00 0.00 C ATOM 114 O TYR A 8 1.361 2.929 -11.106 1.00 0.00 O ATOM 115 CB TYR A 8 2.525 5.361 -10.332 1.00 0.00 C ATOM 116 CG TYR A 8 3.091 6.397 -9.393 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.454 6.360 -9.073 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.265 7.371 -8.821 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.994 7.297 -8.189 1.00 0.00 C ATOM 120 CE2 TYR A 8 2.806 8.309 -7.932 1.00 0.00 C ATOM 121 CZ TYR A 8 4.171 8.272 -7.617 1.00 0.00 C ATOM 122 OH TYR A 8 4.707 9.197 -6.745 1.00 0.00 O ATOM 0 H TYR A 8 4.511 4.383 -11.626 1.00 0.00 H new ATOM 0 HA TYR A 8 3.387 4.034 -8.917 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.724 5.632 -11.369 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.443 5.294 -10.223 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.089 5.605 -9.511 1.00 0.00 H new ATOM 0 HD2 TYR A 8 1.213 7.400 -9.064 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.046 7.268 -7.948 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.170 9.061 -7.489 1.00 0.00 H new ATOM 0 HH TYR A 8 5.462 8.796 -6.266 1.00 0.00 H new ATOM 132 N ALA A 9 2.526 1.753 -9.649 1.00 0.00 N ATOM 133 CA ALA A 9 1.728 0.514 -9.849 1.00 0.00 C ATOM 134 C ALA A 9 2.306 -0.573 -8.935 1.00 0.00 C ATOM 135 O ALA A 9 1.606 -1.445 -8.461 1.00 0.00 O ATOM 136 CB ALA A 9 1.827 0.070 -11.310 1.00 0.00 C ATOM 0 H ALA A 9 3.280 1.662 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 9 0.680 0.692 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.242 -0.838 -11.455 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.441 0.858 -11.957 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.869 -0.126 -11.561 1.00 0.00 H new ATOM 142 N GLN A 10 3.590 -0.508 -8.677 1.00 0.00 N ATOM 143 CA GLN A 10 4.244 -1.506 -7.789 1.00 0.00 C ATOM 144 C GLN A 10 4.012 -1.103 -6.332 1.00 0.00 C ATOM 145 O GLN A 10 3.825 -1.941 -5.474 1.00 0.00 O ATOM 146 CB GLN A 10 5.747 -1.524 -8.072 1.00 0.00 C ATOM 147 CG GLN A 10 6.069 -2.635 -9.071 1.00 0.00 C ATOM 148 CD GLN A 10 7.586 -2.741 -9.238 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.293 -3.020 -8.290 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.120 -2.525 -10.408 1.00 0.00 N ATOM 0 H GLN A 10 4.216 0.205 -9.051 1.00 0.00 H new ATOM 0 HA GLN A 10 3.825 -2.495 -7.972 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.063 -0.560 -8.471 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.299 -1.683 -7.146 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.663 -3.584 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.600 -2.423 -10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 10 7.527 -2.291 -11.204 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.131 -2.590 -10.527 1.00 0.00 H new ATOM 159 N LEU A 11 4.000 0.176 -6.044 1.00 0.00 N ATOM 160 CA LEU A 11 3.750 0.585 -4.627 1.00 0.00 C ATOM 161 C LEU A 11 2.456 -0.072 -4.234 1.00 0.00 C ATOM 162 O LEU A 11 2.205 -0.330 -3.077 1.00 0.00 O ATOM 163 CB LEU A 11 3.586 2.110 -4.419 1.00 0.00 C ATOM 164 CG LEU A 11 4.178 2.908 -5.562 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.538 2.332 -5.944 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.218 2.847 -6.740 1.00 0.00 C ATOM 0 H LEU A 11 4.148 0.936 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 11 4.613 0.288 -4.031 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.527 2.350 -4.320 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.068 2.402 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 11 4.322 3.947 -5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.960 2.910 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.208 2.381 -5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.419 1.293 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.628 3.417 -7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.080 1.809 -7.043 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.257 3.271 -6.449 1.00 0.00 H new ATOM 178 N ILE A 12 1.623 -0.358 -5.199 1.00 0.00 N ATOM 179 CA ILE A 12 0.350 -1.011 -4.852 1.00 0.00 C ATOM 180 C ILE A 12 0.562 -2.521 -4.807 1.00 0.00 C ATOM 181 O ILE A 12 0.211 -3.169 -3.861 1.00 0.00 O ATOM 182 CB ILE A 12 -0.750 -0.720 -5.864 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.720 0.765 -6.305 1.00 0.00 C ATOM 184 CG2 ILE A 12 -2.082 -1.088 -5.206 1.00 0.00 C ATOM 185 CD1 ILE A 12 -2.063 1.471 -6.042 1.00 0.00 C ATOM 0 H ILE A 12 1.773 -0.168 -6.190 1.00 0.00 H new ATOM 0 HA ILE A 12 0.038 -0.617 -3.885 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.606 -1.309 -6.770 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.074 1.286 -5.771 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.481 0.823 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.898 -0.893 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.077 -2.145 -4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.221 -0.488 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.998 2.510 -6.366 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.854 0.967 -6.597 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.289 1.437 -4.976 1.00 0.00 H new ATOM 197 N VAL A 13 1.122 -3.095 -5.832 1.00 0.00 N ATOM 198 CA VAL A 13 1.329 -4.568 -5.827 1.00 0.00 C ATOM 199 C VAL A 13 2.016 -4.981 -4.524 1.00 0.00 C ATOM 200 O VAL A 13 1.435 -5.654 -3.699 1.00 0.00 O ATOM 201 CB VAL A 13 2.208 -4.953 -7.014 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.508 -6.452 -6.964 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.466 -4.622 -8.310 1.00 0.00 C ATOM 0 H VAL A 13 1.444 -2.611 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 13 0.368 -5.076 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 13 3.146 -4.399 -6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.136 -6.726 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.029 -6.688 -6.036 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.574 -7.012 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.086 -4.894 -9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.532 -5.182 -8.348 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.250 -3.554 -8.343 1.00 0.00 H new ATOM 213 N GLN A 14 3.237 -4.581 -4.318 1.00 0.00 N ATOM 214 CA GLN A 14 3.928 -4.962 -3.054 1.00 0.00 C ATOM 215 C GLN A 14 3.088 -4.487 -1.867 1.00 0.00 C ATOM 216 O GLN A 14 3.198 -4.993 -0.768 1.00 0.00 O ATOM 217 CB GLN A 14 5.302 -4.289 -3.004 1.00 0.00 C ATOM 218 CG GLN A 14 6.396 -5.357 -2.995 1.00 0.00 C ATOM 219 CD GLN A 14 7.738 -4.708 -3.340 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.300 -4.967 -4.385 1.00 0.00 O ATOM 221 NE2 GLN A 14 8.278 -3.870 -2.497 1.00 0.00 N ATOM 0 H GLN A 14 3.785 -4.011 -4.963 1.00 0.00 H new ATOM 0 HA GLN A 14 4.052 -6.044 -3.011 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.428 -3.632 -3.865 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.381 -3.666 -2.113 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.449 -5.831 -2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.162 -6.140 -3.716 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.805 -3.653 -1.620 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.173 -3.432 -2.716 1.00 0.00 H new ATOM 230 N ALA A 15 2.257 -3.507 -2.085 1.00 0.00 N ATOM 231 CA ALA A 15 1.408 -2.973 -0.982 1.00 0.00 C ATOM 232 C ALA A 15 0.314 -3.985 -0.591 1.00 0.00 C ATOM 233 O ALA A 15 0.252 -4.438 0.532 1.00 0.00 O ATOM 234 CB ALA A 15 0.770 -1.660 -1.448 1.00 0.00 C ATOM 0 H ALA A 15 2.128 -3.049 -2.987 1.00 0.00 H new ATOM 0 HA ALA A 15 2.028 -2.797 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.145 -1.256 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.553 -0.942 -1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.158 -1.846 -2.330 1.00 0.00 H new ATOM 240 N ILE A 16 -0.557 -4.330 -1.502 1.00 0.00 N ATOM 241 CA ILE A 16 -1.656 -5.292 -1.177 1.00 0.00 C ATOM 242 C ILE A 16 -1.159 -6.737 -1.299 1.00 0.00 C ATOM 243 O ILE A 16 -1.358 -7.545 -0.414 1.00 0.00 O ATOM 244 CB ILE A 16 -2.864 -5.092 -2.121 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.594 -3.981 -3.155 1.00 0.00 C ATOM 246 CG2 ILE A 16 -4.083 -4.702 -1.288 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.914 -3.528 -3.786 1.00 0.00 C ATOM 0 H ILE A 16 -0.556 -3.986 -2.462 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.970 -5.099 -0.151 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.038 -6.025 -2.656 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.101 -3.136 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.918 -4.347 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.941 -4.558 -1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.302 -5.494 -0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.876 -3.775 -0.753 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.718 -2.743 -4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.389 -4.374 -4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.576 -3.144 -3.009 1.00 0.00 H new ATOM 259 N SER A 17 -0.536 -7.077 -2.392 1.00 0.00 N ATOM 260 CA SER A 17 -0.046 -8.478 -2.571 1.00 0.00 C ATOM 261 C SER A 17 0.923 -8.859 -1.450 1.00 0.00 C ATOM 262 O SER A 17 0.863 -9.944 -0.908 1.00 0.00 O ATOM 263 CB SER A 17 0.681 -8.595 -3.908 1.00 0.00 C ATOM 264 OG SER A 17 1.920 -7.904 -3.832 1.00 0.00 O ATOM 0 H SER A 17 -0.343 -6.448 -3.171 1.00 0.00 H new ATOM 0 HA SER A 17 -0.904 -9.149 -2.545 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.851 -9.644 -4.152 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.067 -8.178 -4.706 1.00 0.00 H new ATOM 0 HG SER A 17 1.765 -6.987 -3.522 1.00 0.00 H new ATOM 270 N SER A 18 1.830 -7.987 -1.115 1.00 0.00 N ATOM 271 CA SER A 18 2.820 -8.315 -0.045 1.00 0.00 C ATOM 272 C SER A 18 2.170 -8.194 1.335 1.00 0.00 C ATOM 273 O SER A 18 2.773 -8.512 2.340 1.00 0.00 O ATOM 274 CB SER A 18 4.004 -7.350 -0.128 1.00 0.00 C ATOM 275 OG SER A 18 5.192 -8.028 0.261 1.00 0.00 O ATOM 0 H SER A 18 1.932 -7.062 -1.533 1.00 0.00 H new ATOM 0 HA SER A 18 3.165 -9.339 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 18 4.106 -6.968 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.833 -6.490 0.520 1.00 0.00 H new ATOM 0 HG SER A 18 5.953 -7.412 0.207 1.00 0.00 H new ATOM 281 N ALA A 19 0.946 -7.749 1.399 1.00 0.00 N ATOM 282 CA ALA A 19 0.277 -7.625 2.723 1.00 0.00 C ATOM 283 C ALA A 19 -0.730 -8.765 2.880 1.00 0.00 C ATOM 284 O ALA A 19 -1.433 -9.105 1.949 1.00 0.00 O ATOM 285 CB ALA A 19 -0.455 -6.284 2.804 1.00 0.00 C ATOM 0 H ALA A 19 0.383 -7.467 0.596 1.00 0.00 H new ATOM 0 HA ALA A 19 1.021 -7.677 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.944 -6.195 3.774 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.261 -5.471 2.682 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.204 -6.230 2.014 1.00 0.00 H new ATOM 291 N GLN A 20 -0.810 -9.360 4.043 1.00 0.00 N ATOM 292 CA GLN A 20 -1.784 -10.472 4.236 1.00 0.00 C ATOM 293 C GLN A 20 -3.113 -10.072 3.597 1.00 0.00 C ATOM 294 O GLN A 20 -3.853 -10.896 3.097 1.00 0.00 O ATOM 295 CB GLN A 20 -1.987 -10.727 5.732 1.00 0.00 C ATOM 296 CG GLN A 20 -1.969 -9.396 6.485 1.00 0.00 C ATOM 297 CD GLN A 20 -3.172 -9.326 7.427 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.139 -10.041 7.252 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.153 -8.487 8.428 1.00 0.00 N ATOM 0 H GLN A 20 -0.247 -9.125 4.860 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.406 -11.383 3.771 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.935 -11.238 5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.201 -11.381 6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.043 -9.300 7.052 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.998 -8.566 5.779 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.341 -7.887 8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.950 -8.432 9.063 1.00 0.00 H new ATOM 308 N ASP A 21 -3.409 -8.802 3.601 1.00 0.00 N ATOM 309 CA ASP A 21 -4.676 -8.323 2.987 1.00 0.00 C ATOM 310 C ASP A 21 -4.428 -7.971 1.516 1.00 0.00 C ATOM 311 O ASP A 21 -3.928 -6.909 1.200 1.00 0.00 O ATOM 312 CB ASP A 21 -5.163 -7.081 3.736 1.00 0.00 C ATOM 313 CG ASP A 21 -6.205 -7.491 4.779 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.158 -8.156 4.405 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.032 -7.133 5.932 1.00 0.00 O ATOM 0 H ASP A 21 -2.823 -8.072 4.006 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.432 -9.105 3.049 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.323 -6.583 4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.595 -6.367 3.035 1.00 0.00 H new ATOM 320 N ARG A 22 -4.773 -8.851 0.612 1.00 0.00 N ATOM 321 CA ARG A 22 -4.558 -8.565 -0.839 1.00 0.00 C ATOM 322 C ARG A 22 -5.398 -7.354 -1.267 1.00 0.00 C ATOM 323 O ARG A 22 -5.269 -6.858 -2.371 1.00 0.00 O ATOM 324 CB ARG A 22 -4.972 -9.786 -1.663 1.00 0.00 C ATOM 325 CG ARG A 22 -3.751 -10.672 -1.915 1.00 0.00 C ATOM 326 CD ARG A 22 -4.181 -12.138 -1.931 1.00 0.00 C ATOM 327 NE ARG A 22 -5.018 -12.396 -3.137 1.00 0.00 N ATOM 328 CZ ARG A 22 -5.955 -13.304 -3.100 1.00 0.00 C ATOM 329 NH1 ARG A 22 -7.151 -12.991 -2.683 1.00 0.00 N ATOM 330 NH2 ARG A 22 -5.695 -14.525 -3.480 1.00 0.00 N ATOM 0 H ARG A 22 -5.195 -9.757 0.816 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.504 -8.345 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.741 -10.350 -1.135 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.405 -9.468 -2.611 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.286 -10.408 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.004 -10.509 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.304 -12.785 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.743 -12.373 -1.027 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.858 -11.863 -3.992 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.354 -12.037 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.883 -13.701 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.760 -14.770 -3.806 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.427 -15.235 -3.451 1.00 0.00 H new ATOM 344 N GLN A 23 -6.257 -6.876 -0.406 1.00 0.00 N ATOM 345 CA GLN A 23 -7.098 -5.698 -0.765 1.00 0.00 C ATOM 346 C GLN A 23 -6.818 -4.562 0.222 1.00 0.00 C ATOM 347 O GLN A 23 -7.104 -4.667 1.398 1.00 0.00 O ATOM 348 CB GLN A 23 -8.576 -6.088 -0.693 1.00 0.00 C ATOM 349 CG GLN A 23 -8.803 -7.012 0.506 1.00 0.00 C ATOM 350 CD GLN A 23 -10.143 -6.676 1.163 1.00 0.00 C ATOM 351 OE1 GLN A 23 -11.135 -6.495 0.487 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.213 -6.586 2.463 1.00 0.00 N ATOM 0 H GLN A 23 -6.412 -7.251 0.530 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.860 -5.370 -1.777 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.194 -5.195 -0.600 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.876 -6.589 -1.613 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.795 -8.053 0.183 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.993 -6.896 1.227 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.379 -6.738 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.102 -6.363 2.912 1.00 0.00 H new ATOM 361 N LEU A 24 -6.253 -3.481 -0.240 1.00 0.00 N ATOM 362 CA LEU A 24 -5.950 -2.351 0.678 1.00 0.00 C ATOM 363 C LEU A 24 -6.804 -1.141 0.314 1.00 0.00 C ATOM 364 O LEU A 24 -7.118 -0.916 -0.835 1.00 0.00 O ATOM 365 CB LEU A 24 -4.478 -1.971 0.543 1.00 0.00 C ATOM 366 CG LEU A 24 -3.611 -3.049 1.192 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.179 -2.925 0.674 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.623 -2.866 2.710 1.00 0.00 C ATOM 0 H LEU A 24 -5.989 -3.333 -1.214 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.168 -2.657 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.215 -1.862 -0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.295 -1.007 1.019 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.005 -4.034 0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.558 -3.693 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.171 -3.053 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.785 -1.940 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.005 -3.635 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.228 -1.882 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.645 -2.951 3.079 1.00 0.00 H new ATOM 380 N THR A 25 -7.159 -0.346 1.284 1.00 0.00 N ATOM 381 CA THR A 25 -7.969 0.864 0.988 1.00 0.00 C ATOM 382 C THR A 25 -7.034 1.938 0.442 1.00 0.00 C ATOM 383 O THR A 25 -5.848 1.717 0.301 1.00 0.00 O ATOM 384 CB THR A 25 -8.636 1.362 2.273 1.00 0.00 C ATOM 385 OG1 THR A 25 -9.608 2.347 1.949 1.00 0.00 O ATOM 386 CG2 THR A 25 -7.580 1.970 3.199 1.00 0.00 C ATOM 0 H THR A 25 -6.923 -0.483 2.267 1.00 0.00 H new ATOM 0 HA THR A 25 -8.744 0.633 0.258 1.00 0.00 H new ATOM 0 HB THR A 25 -9.119 0.526 2.778 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.037 2.666 2.770 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.058 2.324 4.113 1.00 0.00 H new ATOM 0 HG22 THR A 25 -6.836 1.214 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.094 2.806 2.697 1.00 0.00 H new ATOM 394 N LEU A 26 -7.539 3.094 0.128 1.00 0.00 N ATOM 395 CA LEU A 26 -6.642 4.154 -0.406 1.00 0.00 C ATOM 396 C LEU A 26 -5.551 4.450 0.627 1.00 0.00 C ATOM 397 O LEU A 26 -4.377 4.457 0.318 1.00 0.00 O ATOM 398 CB LEU A 26 -7.445 5.425 -0.689 1.00 0.00 C ATOM 399 CG LEU A 26 -8.032 5.352 -2.101 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.298 4.495 -2.083 1.00 0.00 C ATOM 401 CD2 LEU A 26 -8.381 6.763 -2.581 1.00 0.00 C ATOM 0 H LEU A 26 -8.522 3.351 0.216 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.187 3.813 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.244 5.534 0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.804 6.302 -0.595 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.301 4.907 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.716 4.443 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.052 3.490 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.029 4.940 -1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.799 6.712 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.113 7.206 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.480 7.376 -2.593 1.00 0.00 H new ATOM 413 N SER A 27 -5.930 4.688 1.856 1.00 0.00 N ATOM 414 CA SER A 27 -4.915 4.985 2.909 1.00 0.00 C ATOM 415 C SER A 27 -4.356 3.685 3.495 1.00 0.00 C ATOM 416 O SER A 27 -3.812 3.671 4.581 1.00 0.00 O ATOM 417 CB SER A 27 -5.567 5.803 4.025 1.00 0.00 C ATOM 418 OG SER A 27 -4.587 6.636 4.629 1.00 0.00 O ATOM 0 H SER A 27 -6.899 4.689 2.175 1.00 0.00 H new ATOM 0 HA SER A 27 -4.098 5.550 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.378 6.409 3.621 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.006 5.139 4.770 1.00 0.00 H new ATOM 0 HG SER A 27 -5.001 7.163 5.344 1.00 0.00 H new ATOM 424 N GLY A 28 -4.455 2.597 2.780 1.00 0.00 N ATOM 425 CA GLY A 28 -3.894 1.319 3.298 1.00 0.00 C ATOM 426 C GLY A 28 -2.567 1.103 2.595 1.00 0.00 C ATOM 427 O GLY A 28 -1.544 0.846 3.197 1.00 0.00 O ATOM 0 H GLY A 28 -4.898 2.539 1.863 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.755 1.368 4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.575 0.491 3.101 1.00 0.00 H new ATOM 431 N ILE A 29 -2.602 1.233 1.305 1.00 0.00 N ATOM 432 CA ILE A 29 -1.394 1.077 0.475 1.00 0.00 C ATOM 433 C ILE A 29 -0.340 2.085 0.911 1.00 0.00 C ATOM 434 O ILE A 29 0.848 1.866 0.780 1.00 0.00 O ATOM 435 CB ILE A 29 -1.801 1.347 -0.959 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.686 0.891 -1.901 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.085 2.843 -1.142 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.710 1.736 -3.167 1.00 0.00 C ATOM 0 H ILE A 29 -3.449 1.448 0.778 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.975 0.076 0.578 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.708 0.790 -1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.281 0.984 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.816 -0.162 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.377 3.034 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.892 3.144 -0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.187 3.415 -0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.085 1.410 -3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.673 1.620 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.559 2.784 -2.908 1.00 0.00 H new ATOM 450 N TYR A 30 -0.777 3.192 1.420 1.00 0.00 N ATOM 451 CA TYR A 30 0.178 4.243 1.863 1.00 0.00 C ATOM 452 C TYR A 30 0.877 3.798 3.142 1.00 0.00 C ATOM 453 O TYR A 30 2.085 3.844 3.246 1.00 0.00 O ATOM 454 CB TYR A 30 -0.589 5.543 2.090 1.00 0.00 C ATOM 455 CG TYR A 30 -1.424 5.821 0.864 1.00 0.00 C ATOM 456 CD1 TYR A 30 -1.001 5.353 -0.387 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.627 6.524 0.974 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.777 5.590 -1.525 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.405 6.759 -0.164 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.981 6.292 -1.413 1.00 0.00 C ATOM 461 OH TYR A 30 -3.750 6.523 -2.534 1.00 0.00 O ATOM 0 H TYR A 30 -1.762 3.421 1.551 1.00 0.00 H new ATOM 0 HA TYR A 30 0.938 4.406 1.098 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.225 5.460 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.103 6.365 2.273 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.073 4.808 -0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.955 6.885 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.447 5.232 -2.489 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.335 7.302 -0.079 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.780 7.485 -2.718 1.00 0.00 H new ATOM 471 N ALA A 31 0.136 3.355 4.112 1.00 0.00 N ATOM 472 CA ALA A 31 0.774 2.898 5.373 1.00 0.00 C ATOM 473 C ALA A 31 1.538 1.598 5.105 1.00 0.00 C ATOM 474 O ALA A 31 2.373 1.188 5.887 1.00 0.00 O ATOM 475 CB ALA A 31 -0.304 2.649 6.428 1.00 0.00 C ATOM 0 H ALA A 31 -0.882 3.289 4.088 1.00 0.00 H new ATOM 0 HA ALA A 31 1.463 3.661 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.163 2.314 7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.853 3.573 6.613 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.992 1.883 6.071 1.00 0.00 H new ATOM 481 N HIS A 32 1.253 0.940 4.011 1.00 0.00 N ATOM 482 CA HIS A 32 1.959 -0.334 3.705 1.00 0.00 C ATOM 483 C HIS A 32 3.363 -0.051 3.158 1.00 0.00 C ATOM 484 O HIS A 32 4.358 -0.312 3.805 1.00 0.00 O ATOM 485 CB HIS A 32 1.158 -1.116 2.664 1.00 0.00 C ATOM 486 CG HIS A 32 1.852 -2.420 2.391 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.236 -3.644 2.592 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.118 -2.707 1.944 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.125 -4.604 2.271 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.289 -4.086 1.870 1.00 0.00 N ATOM 0 H HIS A 32 0.563 1.231 3.319 1.00 0.00 H new ATOM 0 HA HIS A 32 2.050 -0.917 4.622 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.146 -1.297 3.026 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.069 -0.537 1.745 1.00 0.00 H new ATOM 0 HD2 HIS A 32 3.868 -1.973 1.688 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.921 -5.663 2.331 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.123 -4.592 1.573 1.00 0.00 H new ATOM 498 N ILE A 33 3.448 0.458 1.958 1.00 0.00 N ATOM 499 CA ILE A 33 4.780 0.737 1.343 1.00 0.00 C ATOM 500 C ILE A 33 5.569 1.749 2.173 1.00 0.00 C ATOM 501 O ILE A 33 6.781 1.731 2.198 1.00 0.00 O ATOM 502 CB ILE A 33 4.577 1.316 -0.049 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.686 2.552 0.044 1.00 0.00 C ATOM 504 CG2 ILE A 33 3.919 0.274 -0.952 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.567 3.802 0.084 1.00 0.00 C ATOM 0 H ILE A 33 2.647 0.694 1.373 1.00 0.00 H new ATOM 0 HA ILE A 33 5.337 -0.199 1.299 1.00 0.00 H new ATOM 0 HB ILE A 33 5.543 1.593 -0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.011 2.595 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.064 2.501 0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.776 0.694 -1.948 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.558 -0.606 -1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.953 -0.010 -0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.937 4.689 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.223 3.757 0.953 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.169 3.852 -0.823 1.00 0.00 H new ATOM 517 N THR A 34 4.903 2.642 2.834 1.00 0.00 N ATOM 518 CA THR A 34 5.639 3.662 3.633 1.00 0.00 C ATOM 519 C THR A 34 6.570 2.953 4.617 1.00 0.00 C ATOM 520 O THR A 34 7.553 3.508 5.066 1.00 0.00 O ATOM 521 CB THR A 34 4.642 4.526 4.410 1.00 0.00 C ATOM 522 OG1 THR A 34 3.637 3.697 4.976 1.00 0.00 O ATOM 523 CG2 THR A 34 3.998 5.541 3.465 1.00 0.00 C ATOM 0 H THR A 34 3.886 2.715 2.860 1.00 0.00 H new ATOM 0 HA THR A 34 6.222 4.296 2.965 1.00 0.00 H new ATOM 0 HB THR A 34 5.165 5.056 5.206 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.000 3.433 4.279 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.289 6.155 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.770 6.178 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.475 5.014 2.667 1.00 0.00 H new ATOM 531 N LYS A 35 6.279 1.726 4.943 1.00 0.00 N ATOM 532 CA LYS A 35 7.157 0.978 5.885 1.00 0.00 C ATOM 533 C LYS A 35 8.287 0.300 5.104 1.00 0.00 C ATOM 534 O LYS A 35 9.369 0.093 5.614 1.00 0.00 O ATOM 535 CB LYS A 35 6.333 -0.082 6.617 1.00 0.00 C ATOM 536 CG LYS A 35 6.851 -0.229 8.048 1.00 0.00 C ATOM 537 CD LYS A 35 8.300 -0.718 8.017 1.00 0.00 C ATOM 538 CE LYS A 35 8.705 -1.204 9.410 1.00 0.00 C ATOM 539 NZ LYS A 35 9.166 -0.046 10.224 1.00 0.00 N ATOM 0 H LYS A 35 5.471 1.208 4.598 1.00 0.00 H new ATOM 0 HA LYS A 35 7.584 1.670 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.281 0.202 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.401 -1.036 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.789 0.727 8.569 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.230 -0.934 8.601 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.407 -1.526 7.293 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.960 0.088 7.695 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.860 -1.691 9.897 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.499 -1.946 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.442 -0.375 11.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.983 0.400 9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.395 0.647 10.309 1.00 0.00 H new ATOM 553 N HIS A 36 8.039 -0.058 3.871 1.00 0.00 N ATOM 554 CA HIS A 36 9.094 -0.734 3.061 1.00 0.00 C ATOM 555 C HIS A 36 9.955 0.308 2.340 1.00 0.00 C ATOM 556 O HIS A 36 11.138 0.428 2.593 1.00 0.00 O ATOM 557 CB HIS A 36 8.432 -1.652 2.032 1.00 0.00 C ATOM 558 CG HIS A 36 7.876 -2.862 2.730 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.686 -3.897 3.171 1.00 0.00 N ATOM 560 CD2 HIS A 36 6.596 -3.213 3.077 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.891 -4.814 3.753 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.607 -4.446 3.722 1.00 0.00 N ATOM 0 H HIS A 36 7.151 0.089 3.390 1.00 0.00 H new ATOM 0 HA HIS A 36 9.731 -1.321 3.723 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.635 -1.120 1.512 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.158 -1.955 1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.714 -2.622 2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.247 -5.734 4.191 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.807 -4.959 4.092 1.00 0.00 H new ATOM 570 N TYR A 37 9.379 1.059 1.441 1.00 0.00 N ATOM 571 CA TYR A 37 10.178 2.083 0.709 1.00 0.00 C ATOM 572 C TYR A 37 10.368 3.309 1.613 1.00 0.00 C ATOM 573 O TYR A 37 9.430 3.765 2.236 1.00 0.00 O ATOM 574 CB TYR A 37 9.433 2.507 -0.563 1.00 0.00 C ATOM 575 CG TYR A 37 8.784 1.312 -1.222 1.00 0.00 C ATOM 576 CD1 TYR A 37 9.268 0.017 -0.991 1.00 0.00 C ATOM 577 CD2 TYR A 37 7.691 1.508 -2.071 1.00 0.00 C ATOM 578 CE1 TYR A 37 8.652 -1.079 -1.611 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.077 0.416 -2.689 1.00 0.00 C ATOM 580 CZ TYR A 37 7.556 -0.877 -2.461 1.00 0.00 C ATOM 581 OH TYR A 37 6.946 -1.951 -3.074 1.00 0.00 O ATOM 0 H TYR A 37 8.394 1.008 1.182 1.00 0.00 H new ATOM 0 HA TYR A 37 11.147 1.664 0.438 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.674 3.250 -0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.128 2.980 -1.257 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.114 -0.136 -0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.320 2.506 -2.250 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.022 -2.078 -1.434 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.232 0.571 -3.343 1.00 0.00 H new ATOM 0 HH TYR A 37 6.711 -1.712 -3.995 1.00 0.00 H new ATOM 591 N PRO A 38 11.583 3.803 1.667 1.00 0.00 N ATOM 592 CA PRO A 38 11.928 4.970 2.500 1.00 0.00 C ATOM 593 C PRO A 38 11.497 6.275 1.821 1.00 0.00 C ATOM 594 O PRO A 38 11.072 7.210 2.470 1.00 0.00 O ATOM 595 CB PRO A 38 13.453 4.895 2.604 1.00 0.00 C ATOM 596 CG PRO A 38 13.934 4.062 1.392 1.00 0.00 C ATOM 597 CD PRO A 38 12.720 3.245 0.909 1.00 0.00 C ATOM 0 HA PRO A 38 11.431 4.959 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.893 5.892 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.756 4.428 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.305 4.711 0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.756 3.404 1.676 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.572 3.350 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.850 2.182 1.111 1.00 0.00 H new ATOM 605 N TYR A 39 11.608 6.351 0.523 1.00 0.00 N ATOM 606 CA TYR A 39 11.209 7.602 -0.183 1.00 0.00 C ATOM 607 C TYR A 39 9.731 7.892 0.083 1.00 0.00 C ATOM 608 O TYR A 39 9.334 9.028 0.250 1.00 0.00 O ATOM 609 CB TYR A 39 11.436 7.440 -1.687 1.00 0.00 C ATOM 610 CG TYR A 39 10.979 8.691 -2.396 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.752 9.857 -2.327 1.00 0.00 C ATOM 612 CD2 TYR A 39 9.781 8.689 -3.119 1.00 0.00 C ATOM 613 CE1 TYR A 39 11.327 11.019 -2.980 1.00 0.00 C ATOM 614 CE2 TYR A 39 9.355 9.852 -3.773 1.00 0.00 C ATOM 615 CZ TYR A 39 10.129 11.017 -3.704 1.00 0.00 C ATOM 616 OH TYR A 39 9.709 12.163 -4.345 1.00 0.00 O ATOM 0 H TYR A 39 11.956 5.604 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 39 11.813 8.431 0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.491 7.258 -1.890 1.00 0.00 H new ATOM 0 HB3 TYR A 39 10.886 6.576 -2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.677 9.859 -1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.185 7.790 -3.173 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.923 11.918 -2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.430 9.850 -4.330 1.00 0.00 H new ATOM 0 HH TYR A 39 8.859 11.990 -4.802 1.00 0.00 H new ATOM 626 N TYR A 40 8.914 6.876 0.122 1.00 0.00 N ATOM 627 CA TYR A 40 7.463 7.097 0.378 1.00 0.00 C ATOM 628 C TYR A 40 7.219 7.166 1.889 1.00 0.00 C ATOM 629 O TYR A 40 6.315 6.545 2.411 1.00 0.00 O ATOM 630 CB TYR A 40 6.658 5.939 -0.218 1.00 0.00 C ATOM 631 CG TYR A 40 6.309 6.253 -1.654 1.00 0.00 C ATOM 632 CD1 TYR A 40 5.786 7.507 -1.990 1.00 0.00 C ATOM 633 CD2 TYR A 40 6.511 5.289 -2.652 1.00 0.00 C ATOM 634 CE1 TYR A 40 5.464 7.799 -3.321 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.189 5.582 -3.983 1.00 0.00 C ATOM 636 CZ TYR A 40 5.667 6.836 -4.317 1.00 0.00 C ATOM 637 OH TYR A 40 5.351 7.125 -5.628 1.00 0.00 O ATOM 0 H TYR A 40 9.188 5.903 -0.012 1.00 0.00 H new ATOM 0 HA TYR A 40 7.149 8.033 -0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.236 5.016 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.749 5.778 0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.631 8.250 -1.222 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.915 4.321 -2.394 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.059 8.766 -3.579 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.344 4.839 -4.752 1.00 0.00 H new ATOM 0 HH TYR A 40 4.489 7.589 -5.662 1.00 0.00 H new ATOM 647 N ARG A 41 8.023 7.915 2.594 1.00 0.00 N ATOM 648 CA ARG A 41 7.841 8.021 4.071 1.00 0.00 C ATOM 649 C ARG A 41 7.373 9.433 4.433 1.00 0.00 C ATOM 650 O ARG A 41 6.270 9.630 4.903 1.00 0.00 O ATOM 651 CB ARG A 41 9.172 7.729 4.768 1.00 0.00 C ATOM 652 CG ARG A 41 9.052 8.051 6.258 1.00 0.00 C ATOM 653 CD ARG A 41 9.854 7.032 7.071 1.00 0.00 C ATOM 654 NE ARG A 41 9.877 7.446 8.502 1.00 0.00 N ATOM 655 CZ ARG A 41 10.804 6.990 9.299 1.00 0.00 C ATOM 656 NH1 ARG A 41 11.559 5.993 8.921 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.979 7.530 10.473 1.00 0.00 N ATOM 0 H ARG A 41 8.797 8.458 2.212 1.00 0.00 H new ATOM 0 HA ARG A 41 7.092 7.299 4.397 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.443 6.682 4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.967 8.325 4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.421 9.058 6.453 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.005 8.030 6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.408 6.042 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.871 6.962 6.685 1.00 0.00 H new ATOM 0 HE ARG A 41 9.168 8.086 8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.424 5.571 8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.284 5.637 9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 41 10.391 8.309 10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.704 7.173 11.096 1.00 0.00 H new ATOM 671 N THR A 42 8.206 10.417 4.223 1.00 0.00 N ATOM 672 CA THR A 42 7.807 11.814 4.557 1.00 0.00 C ATOM 673 C THR A 42 7.127 12.455 3.345 1.00 0.00 C ATOM 674 O THR A 42 6.097 13.088 3.461 1.00 0.00 O ATOM 675 CB THR A 42 9.051 12.623 4.933 1.00 0.00 C ATOM 676 OG1 THR A 42 10.210 11.954 4.456 1.00 0.00 O ATOM 677 CG2 THR A 42 9.131 12.767 6.454 1.00 0.00 C ATOM 0 H THR A 42 9.144 10.314 3.835 1.00 0.00 H new ATOM 0 HA THR A 42 7.113 11.803 5.398 1.00 0.00 H new ATOM 0 HB THR A 42 8.990 13.613 4.481 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.189 11.921 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.018 13.343 6.719 1.00 0.00 H new ATOM 0 HG22 THR A 42 8.242 13.281 6.818 1.00 0.00 H new ATOM 0 HG23 THR A 42 9.191 11.779 6.910 1.00 0.00 H new ATOM 685 N ALA A 43 7.697 12.295 2.183 1.00 0.00 N ATOM 686 CA ALA A 43 7.084 12.893 0.963 1.00 0.00 C ATOM 687 C ALA A 43 5.848 12.079 0.564 1.00 0.00 C ATOM 688 O ALA A 43 5.953 10.936 0.169 1.00 0.00 O ATOM 689 CB ALA A 43 8.101 12.861 -0.180 1.00 0.00 C ATOM 0 H ALA A 43 8.561 11.776 2.025 1.00 0.00 H new ATOM 0 HA ALA A 43 6.793 13.923 1.167 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.657 13.297 -1.075 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.984 13.433 0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.387 11.829 -0.384 1.00 0.00 H new ATOM 695 N ASP A 44 4.675 12.650 0.665 1.00 0.00 N ATOM 696 CA ASP A 44 3.450 11.888 0.291 1.00 0.00 C ATOM 697 C ASP A 44 2.424 12.827 -0.349 1.00 0.00 C ATOM 698 O ASP A 44 1.289 12.456 -0.577 1.00 0.00 O ATOM 699 CB ASP A 44 2.848 11.251 1.545 1.00 0.00 C ATOM 700 CG ASP A 44 2.664 12.321 2.623 1.00 0.00 C ATOM 701 OD1 ASP A 44 1.817 13.179 2.440 1.00 0.00 O ATOM 702 OD2 ASP A 44 3.374 12.264 3.614 1.00 0.00 O ATOM 0 H ASP A 44 4.515 13.604 0.988 1.00 0.00 H new ATOM 0 HA ASP A 44 3.715 11.110 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.889 10.791 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.500 10.458 1.912 1.00 0.00 H new ATOM 707 N LYS A 45 2.807 14.039 -0.643 1.00 0.00 N ATOM 708 CA LYS A 45 1.847 14.992 -1.268 1.00 0.00 C ATOM 709 C LYS A 45 1.932 14.881 -2.790 1.00 0.00 C ATOM 710 O LYS A 45 2.342 15.803 -3.467 1.00 0.00 O ATOM 711 CB LYS A 45 2.194 16.419 -0.842 1.00 0.00 C ATOM 712 CG LYS A 45 1.395 16.785 0.411 1.00 0.00 C ATOM 713 CD LYS A 45 0.113 17.514 0.005 1.00 0.00 C ATOM 714 CE LYS A 45 0.322 19.024 0.134 1.00 0.00 C ATOM 715 NZ LYS A 45 1.011 19.533 -1.085 1.00 0.00 N ATOM 0 H LYS A 45 3.742 14.410 -0.478 1.00 0.00 H new ATOM 0 HA LYS A 45 0.835 14.751 -0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.262 16.501 -0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.966 17.116 -1.648 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.151 15.885 0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.994 17.418 1.065 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.153 17.259 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.715 17.195 0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.637 19.526 0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.916 19.246 1.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.974 20.572 -1.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.003 19.222 -1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.537 19.161 -1.933 1.00 0.00 H new ATOM 729 N GLY A 46 1.549 13.759 -3.338 1.00 0.00 N ATOM 730 CA GLY A 46 1.610 13.595 -4.816 1.00 0.00 C ATOM 731 C GLY A 46 1.107 12.203 -5.201 1.00 0.00 C ATOM 732 O GLY A 46 0.164 12.061 -5.955 1.00 0.00 O ATOM 0 H GLY A 46 1.197 12.951 -2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.003 14.359 -5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.634 13.732 -5.165 1.00 0.00 H new ATOM 736 N TRP A 47 1.732 11.174 -4.699 1.00 0.00 N ATOM 737 CA TRP A 47 1.290 9.795 -5.050 1.00 0.00 C ATOM 738 C TRP A 47 0.076 9.401 -4.211 1.00 0.00 C ATOM 739 O TRP A 47 -0.422 8.297 -4.306 1.00 0.00 O ATOM 740 CB TRP A 47 2.431 8.810 -4.803 1.00 0.00 C ATOM 741 CG TRP A 47 2.593 8.546 -3.340 1.00 0.00 C ATOM 742 CD1 TRP A 47 2.947 9.466 -2.410 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.429 7.287 -2.626 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.020 8.848 -1.176 1.00 0.00 N ATOM 745 CE2 TRP A 47 2.712 7.505 -1.257 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.073 5.987 -3.031 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.645 6.472 -0.325 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.005 4.946 -2.095 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.294 5.188 -0.746 1.00 0.00 C ATOM 0 H TRP A 47 2.527 11.228 -4.063 1.00 0.00 H new ATOM 0 HA TRP A 47 1.013 9.770 -6.104 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.231 7.875 -5.326 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.359 9.211 -5.210 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.140 10.511 -2.602 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.271 9.326 -0.311 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.851 5.790 -4.069 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.863 6.663 0.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.728 3.952 -2.415 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.245 4.380 -0.031 1.00 0.00 H new ATOM 760 N GLN A 48 -0.416 10.291 -3.399 1.00 0.00 N ATOM 761 CA GLN A 48 -1.607 9.948 -2.581 1.00 0.00 C ATOM 762 C GLN A 48 -2.790 9.730 -3.525 1.00 0.00 C ATOM 763 O GLN A 48 -3.277 8.629 -3.685 1.00 0.00 O ATOM 764 CB GLN A 48 -1.915 11.095 -1.617 1.00 0.00 C ATOM 765 CG GLN A 48 -2.235 10.526 -0.234 1.00 0.00 C ATOM 766 CD GLN A 48 -0.981 9.874 0.350 1.00 0.00 C ATOM 767 OE1 GLN A 48 -0.174 10.533 0.974 1.00 0.00 O ATOM 768 NE2 GLN A 48 -0.781 8.596 0.172 1.00 0.00 N ATOM 0 H GLN A 48 -0.048 11.233 -3.267 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.420 9.044 -2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.063 11.771 -1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.759 11.678 -1.986 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.586 11.320 0.425 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.039 9.793 -0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.458 8.042 -0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.053 8.152 0.557 1.00 0.00 H new ATOM 777 N ASN A 49 -3.242 10.772 -4.169 1.00 0.00 N ATOM 778 CA ASN A 49 -4.378 10.628 -5.121 1.00 0.00 C ATOM 779 C ASN A 49 -3.887 9.912 -6.381 1.00 0.00 C ATOM 780 O ASN A 49 -4.668 9.464 -7.198 1.00 0.00 O ATOM 781 CB ASN A 49 -4.909 12.013 -5.498 1.00 0.00 C ATOM 782 CG ASN A 49 -5.578 12.652 -4.280 1.00 0.00 C ATOM 783 OD1 ASN A 49 -6.102 11.963 -3.428 1.00 0.00 O ATOM 784 ND2 ASN A 49 -5.581 13.953 -4.161 1.00 0.00 N ATOM 0 H ASN A 49 -2.872 11.718 -4.076 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.176 10.050 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.093 12.644 -5.850 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.624 11.930 -6.317 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.023 14.390 -3.353 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.141 14.532 -4.877 1.00 0.00 H new ATOM 791 N SER A 50 -2.596 9.803 -6.548 1.00 0.00 N ATOM 792 CA SER A 50 -2.059 9.120 -7.760 1.00 0.00 C ATOM 793 C SER A 50 -2.348 7.622 -7.671 1.00 0.00 C ATOM 794 O SER A 50 -2.798 7.019 -8.618 1.00 0.00 O ATOM 795 CB SER A 50 -0.547 9.343 -7.865 1.00 0.00 C ATOM 796 OG SER A 50 0.133 8.233 -7.293 1.00 0.00 O ATOM 0 H SER A 50 -1.892 10.156 -5.900 1.00 0.00 H new ATOM 0 HA SER A 50 -2.542 9.535 -8.645 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.257 9.463 -8.909 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.267 10.261 -7.349 1.00 0.00 H new ATOM 0 HG SER A 50 1.025 8.154 -7.692 1.00 0.00 H new ATOM 802 N ILE A 51 -2.093 7.018 -6.540 1.00 0.00 N ATOM 803 CA ILE A 51 -2.353 5.554 -6.395 1.00 0.00 C ATOM 804 C ILE A 51 -3.822 5.259 -6.735 1.00 0.00 C ATOM 805 O ILE A 51 -4.122 4.420 -7.560 1.00 0.00 O ATOM 806 CB ILE A 51 -2.022 5.128 -4.946 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.741 4.293 -4.947 1.00 0.00 C ATOM 808 CG2 ILE A 51 -3.150 4.288 -4.328 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.352 5.020 -5.726 1.00 0.00 C ATOM 0 H ILE A 51 -1.716 7.475 -5.710 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.724 4.986 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.899 6.034 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.412 4.114 -3.923 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.932 3.318 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.879 4.008 -3.310 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -4.071 4.871 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.301 3.388 -4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.262 4.420 -5.723 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.024 5.176 -6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.552 5.984 -5.259 1.00 0.00 H new ATOM 821 N ARG A 52 -4.735 5.935 -6.097 1.00 0.00 N ATOM 822 CA ARG A 52 -6.180 5.688 -6.374 1.00 0.00 C ATOM 823 C ARG A 52 -6.434 5.732 -7.882 1.00 0.00 C ATOM 824 O ARG A 52 -6.958 4.802 -8.462 1.00 0.00 O ATOM 825 CB ARG A 52 -7.014 6.770 -5.683 1.00 0.00 C ATOM 826 CG ARG A 52 -8.487 6.613 -6.064 1.00 0.00 C ATOM 827 CD ARG A 52 -9.145 7.993 -6.132 1.00 0.00 C ATOM 828 NE ARG A 52 -10.057 8.051 -7.309 1.00 0.00 N ATOM 829 CZ ARG A 52 -11.159 7.353 -7.315 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.968 7.402 -6.292 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.450 6.604 -8.343 1.00 0.00 N ATOM 0 H ARG A 52 -4.544 6.649 -5.394 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.461 4.706 -5.994 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.899 6.695 -4.602 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.657 7.758 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.573 6.109 -7.027 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.999 5.990 -5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.703 8.187 -5.216 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.382 8.768 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.820 8.636 -8.110 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.739 7.986 -5.488 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.830 6.856 -6.297 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.816 6.565 -9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.311 6.058 -8.349 1.00 0.00 H new ATOM 845 N HIS A 53 -6.078 6.812 -8.517 1.00 0.00 N ATOM 846 CA HIS A 53 -6.308 6.936 -9.984 1.00 0.00 C ATOM 847 C HIS A 53 -5.405 5.959 -10.749 1.00 0.00 C ATOM 848 O HIS A 53 -5.638 5.663 -11.905 1.00 0.00 O ATOM 849 CB HIS A 53 -5.988 8.371 -10.409 1.00 0.00 C ATOM 850 CG HIS A 53 -6.074 8.492 -11.905 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.031 8.120 -12.738 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.070 8.948 -12.731 1.00 0.00 C ATOM 853 CE1 HIS A 53 -5.420 8.356 -14.005 1.00 0.00 C ATOM 854 NE2 HIS A 53 -6.655 8.862 -14.058 1.00 0.00 N ATOM 0 H HIS A 53 -5.634 7.620 -8.081 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.347 6.698 -10.211 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.686 9.063 -9.939 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.989 8.646 -10.070 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.030 9.318 -12.402 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.808 8.160 -14.873 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -7.181 9.128 -14.891 1.00 0.00 H new ATOM 862 N ASN A 54 -4.379 5.458 -10.119 1.00 0.00 N ATOM 863 CA ASN A 54 -3.464 4.506 -10.814 1.00 0.00 C ATOM 864 C ASN A 54 -4.157 3.161 -11.004 1.00 0.00 C ATOM 865 O ASN A 54 -4.016 2.515 -12.024 1.00 0.00 O ATOM 866 CB ASN A 54 -2.199 4.308 -9.977 1.00 0.00 C ATOM 867 CG ASN A 54 -1.029 5.013 -10.665 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.546 4.562 -11.684 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.551 6.111 -10.149 1.00 0.00 N ATOM 0 H ASN A 54 -4.133 5.666 -9.151 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.200 4.916 -11.789 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.344 4.711 -8.975 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.985 3.245 -9.865 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.228 6.590 -10.601 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.956 6.491 -9.293 1.00 0.00 H new ATOM 876 N LEU A 55 -4.894 2.723 -10.023 1.00 0.00 N ATOM 877 CA LEU A 55 -5.580 1.408 -10.138 1.00 0.00 C ATOM 878 C LEU A 55 -6.695 1.479 -11.184 1.00 0.00 C ATOM 879 O LEU A 55 -7.333 0.492 -11.489 1.00 0.00 O ATOM 880 CB LEU A 55 -6.150 1.025 -8.773 1.00 0.00 C ATOM 881 CG LEU A 55 -5.026 1.104 -7.733 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.566 0.744 -6.349 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.914 0.125 -8.119 1.00 0.00 C ATOM 0 H LEU A 55 -5.051 3.220 -9.146 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.866 0.650 -10.458 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.964 1.697 -8.501 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.565 0.018 -8.806 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.631 2.120 -7.706 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.760 0.803 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.357 1.442 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.966 -0.270 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.112 0.177 -7.383 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.315 -0.888 -8.148 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.522 0.388 -9.102 1.00 0.00 H new ATOM 895 N SER A 56 -6.923 2.631 -11.754 1.00 0.00 N ATOM 896 CA SER A 56 -7.979 2.744 -12.796 1.00 0.00 C ATOM 897 C SER A 56 -7.384 2.328 -14.143 1.00 0.00 C ATOM 898 O SER A 56 -8.055 1.766 -14.985 1.00 0.00 O ATOM 899 CB SER A 56 -8.466 4.192 -12.878 1.00 0.00 C ATOM 900 OG SER A 56 -9.766 4.217 -13.452 1.00 0.00 O ATOM 0 H SER A 56 -6.425 3.496 -11.543 1.00 0.00 H new ATOM 0 HA SER A 56 -8.820 2.098 -12.544 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.486 4.638 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.778 4.786 -13.480 1.00 0.00 H new ATOM 0 HG SER A 56 -10.082 5.143 -13.505 1.00 0.00 H new ATOM 906 N LEU A 57 -6.123 2.602 -14.347 1.00 0.00 N ATOM 907 CA LEU A 57 -5.472 2.226 -15.635 1.00 0.00 C ATOM 908 C LEU A 57 -4.868 0.823 -15.519 1.00 0.00 C ATOM 909 O LEU A 57 -5.153 -0.050 -16.312 1.00 0.00 O ATOM 910 CB LEU A 57 -4.361 3.228 -15.954 1.00 0.00 C ATOM 911 CG LEU A 57 -4.881 4.651 -15.752 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.055 5.346 -14.668 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.753 5.426 -17.064 1.00 0.00 C ATOM 0 H LEU A 57 -5.515 3.071 -13.676 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.217 2.236 -16.431 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.500 3.050 -15.309 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.022 3.096 -16.982 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.927 4.618 -15.446 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.425 6.361 -14.523 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.141 4.792 -13.733 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.009 5.381 -14.974 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.123 6.442 -16.924 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.706 5.459 -17.366 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.338 4.930 -17.838 1.00 0.00 H new ATOM 925 N ASN A 58 -4.031 0.605 -14.539 1.00 0.00 N ATOM 926 CA ASN A 58 -3.403 -0.739 -14.375 1.00 0.00 C ATOM 927 C ASN A 58 -4.454 -1.827 -14.597 1.00 0.00 C ATOM 928 O ASN A 58 -5.590 -1.700 -14.184 1.00 0.00 O ATOM 929 CB ASN A 58 -2.823 -0.864 -12.965 1.00 0.00 C ATOM 930 CG ASN A 58 -1.598 0.043 -12.838 1.00 0.00 C ATOM 931 OD1 ASN A 58 -0.593 -0.181 -13.482 1.00 0.00 O ATOM 932 ND2 ASN A 58 -1.638 1.062 -12.025 1.00 0.00 N ATOM 0 H ASN A 58 -3.755 1.300 -13.845 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.603 -0.857 -15.106 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -3.574 -0.586 -12.225 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.546 -1.899 -12.764 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.825 1.671 -11.930 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.482 1.250 -11.484 1.00 0.00 H new ATOM 939 N ARG A 59 -4.090 -2.892 -15.258 1.00 0.00 N ATOM 940 CA ARG A 59 -5.075 -3.980 -15.516 1.00 0.00 C ATOM 941 C ARG A 59 -5.039 -5.010 -14.383 1.00 0.00 C ATOM 942 O ARG A 59 -5.869 -5.894 -14.319 1.00 0.00 O ATOM 943 CB ARG A 59 -4.742 -4.669 -16.841 1.00 0.00 C ATOM 944 CG ARG A 59 -3.328 -5.250 -16.776 1.00 0.00 C ATOM 945 CD ARG A 59 -2.561 -4.877 -18.046 1.00 0.00 C ATOM 946 NE ARG A 59 -2.383 -6.089 -18.894 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.660 -6.043 -20.168 1.00 0.00 C ATOM 948 NH1 ARG A 59 -3.899 -6.137 -20.569 1.00 0.00 N ATOM 949 NH2 ARG A 59 -1.701 -5.904 -21.042 1.00 0.00 N ATOM 0 H ARG A 59 -3.154 -3.055 -15.630 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.073 -3.545 -15.568 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.463 -5.462 -17.042 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.816 -3.956 -17.662 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.807 -4.867 -15.899 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.374 -6.334 -16.672 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.103 -4.110 -18.599 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.590 -4.456 -17.786 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.044 -6.956 -18.478 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -4.649 -6.246 -19.886 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.117 -6.101 -21.565 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.733 -5.831 -20.729 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -1.920 -5.868 -22.038 1.00 0.00 H new ATOM 963 N TYR A 60 -4.089 -4.915 -13.489 1.00 0.00 N ATOM 964 CA TYR A 60 -4.031 -5.911 -12.380 1.00 0.00 C ATOM 965 C TYR A 60 -4.435 -5.259 -11.056 1.00 0.00 C ATOM 966 O TYR A 60 -3.880 -5.552 -10.015 1.00 0.00 O ATOM 967 CB TYR A 60 -2.621 -6.494 -12.259 1.00 0.00 C ATOM 968 CG TYR A 60 -1.585 -5.397 -12.298 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.186 -4.860 -13.525 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.006 -4.932 -11.109 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.210 -3.859 -13.569 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.032 -3.930 -11.154 1.00 0.00 C ATOM 973 CZ TYR A 60 0.367 -3.393 -12.383 1.00 0.00 C ATOM 974 OH TYR A 60 1.330 -2.406 -12.425 1.00 0.00 O ATOM 0 H TYR A 60 -3.361 -4.201 -13.478 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.730 -6.716 -12.607 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.532 -7.052 -11.327 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.443 -7.199 -13.071 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.632 -5.219 -14.441 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.312 -5.347 -10.160 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.098 -3.446 -14.518 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.413 -3.570 -10.238 1.00 0.00 H new ATOM 0 HH TYR A 60 1.955 -2.527 -11.680 1.00 0.00 H new ATOM 984 N PHE A 61 -5.412 -4.397 -11.082 1.00 0.00 N ATOM 985 CA PHE A 61 -5.869 -3.749 -9.821 1.00 0.00 C ATOM 986 C PHE A 61 -7.378 -3.553 -9.893 1.00 0.00 C ATOM 987 O PHE A 61 -7.874 -2.662 -10.553 1.00 0.00 O ATOM 988 CB PHE A 61 -5.178 -2.402 -9.639 1.00 0.00 C ATOM 989 CG PHE A 61 -3.799 -2.634 -9.080 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.632 -3.309 -7.863 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.682 -2.177 -9.783 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.349 -3.523 -7.359 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.404 -2.390 -9.276 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.235 -3.065 -8.065 1.00 0.00 C ATOM 0 H PHE A 61 -5.915 -4.113 -11.923 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.616 -4.382 -8.971 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.115 -1.878 -10.593 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.756 -1.769 -8.966 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.494 -3.662 -7.317 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.810 -1.658 -10.721 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.217 -4.043 -6.422 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.542 -2.033 -9.819 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.242 -3.233 -7.675 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.109 -4.395 -9.229 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.595 -4.285 -9.264 1.00 0.00 C ATOM 1006 C ILE A 62 -10.111 -3.707 -7.945 1.00 0.00 C ATOM 1007 O ILE A 62 -9.367 -3.516 -7.004 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.198 -5.671 -9.484 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -9.851 -6.573 -8.296 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.626 -6.277 -10.768 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.474 -7.953 -8.502 1.00 0.00 C ATOM 0 H ILE A 62 -7.744 -5.159 -8.660 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.886 -3.622 -10.079 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.281 -5.587 -9.572 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.769 -6.662 -8.198 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.220 -6.131 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.056 -7.266 -10.926 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.872 -5.635 -11.614 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.543 -6.362 -10.679 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.226 -8.594 -7.656 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.557 -7.856 -8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.084 -8.395 -9.419 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.385 -3.431 -7.874 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.961 -2.868 -6.621 1.00 0.00 C ATOM 1025 C LYS A 63 -13.031 -3.821 -6.088 1.00 0.00 C ATOM 1026 O LYS A 63 -13.781 -4.411 -6.840 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.599 -1.504 -6.908 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.698 -0.688 -7.839 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.569 0.125 -8.801 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.242 1.269 -8.039 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.935 2.171 -9.002 1.00 0.00 N ATOM 0 H LYS A 63 -12.053 -3.572 -8.632 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.169 -2.747 -5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.579 -1.641 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.756 -0.963 -5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.061 -0.023 -7.256 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.039 -1.351 -8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.959 0.523 -9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.324 -0.517 -9.255 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.957 0.869 -7.320 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.498 1.829 -7.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.392 2.948 -8.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.242 2.562 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.656 1.633 -9.525 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.113 -3.974 -4.796 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.139 -4.884 -4.219 1.00 0.00 C ATOM 1047 C VAL A 64 -15.370 -4.062 -3.816 1.00 0.00 C ATOM 1048 O VAL A 64 -15.283 -3.215 -2.950 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.563 -5.575 -2.984 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.285 -4.531 -1.901 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -14.572 -6.597 -2.458 1.00 0.00 C ATOM 0 H VAL A 64 -12.513 -3.508 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.424 -5.634 -4.956 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.635 -6.081 -3.248 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.874 -5.022 -1.019 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.569 -3.800 -2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.214 -4.026 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.163 -7.091 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -15.499 -6.089 -2.192 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.774 -7.340 -3.230 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.632 -0.609 -0.794 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.325 -1.290 -0.577 1.00 0.00 C ATOM 1220 C PHE A 76 -10.716 -1.702 -1.918 1.00 0.00 C ATOM 1221 O PHE A 76 -11.319 -2.409 -2.701 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.537 -2.533 0.289 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.754 -2.387 1.571 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -11.292 -1.659 2.639 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -9.491 -2.977 1.693 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -10.566 -1.521 3.828 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -8.764 -2.839 2.881 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.302 -2.110 3.949 1.00 0.00 C ATOM 0 HA PHE A 76 -10.645 -0.602 -0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.597 -2.660 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.214 -3.424 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -12.267 -1.204 2.546 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.077 -3.540 0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -10.981 -0.960 4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.789 -3.294 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.742 -2.002 4.866 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.513 -1.268 -2.178 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.840 -1.630 -3.456 1.00 0.00 C ATOM 1240 C TRP A 77 -8.263 -3.042 -3.339 1.00 0.00 C ATOM 1241 O TRP A 77 -8.066 -3.553 -2.255 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.700 -0.645 -3.722 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.157 0.409 -4.674 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.366 1.708 -4.356 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.464 0.280 -6.091 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -8.779 2.384 -5.489 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -8.855 1.546 -6.585 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.438 -0.804 -6.987 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.209 1.730 -7.921 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.795 -0.621 -8.333 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.179 0.644 -8.799 1.00 0.00 C ATOM 0 H TRP A 77 -8.965 -0.674 -1.555 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.560 -1.591 -4.273 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.376 -0.188 -2.787 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.840 -1.172 -4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.232 2.145 -3.377 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.000 3.379 -5.513 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.142 -1.782 -6.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.505 2.707 -8.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.774 -1.460 -9.013 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.451 0.779 -9.835 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.988 -3.675 -4.445 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.420 -5.052 -4.393 1.00 0.00 C ATOM 1264 C ARG A 78 -6.752 -5.379 -5.728 1.00 0.00 C ATOM 1265 O ARG A 78 -7.065 -4.794 -6.745 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.543 -6.056 -4.127 1.00 0.00 C ATOM 1267 CG ARG A 78 -7.939 -7.415 -3.771 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.058 -8.448 -3.618 1.00 0.00 C ATOM 1269 NE ARG A 78 -9.611 -8.783 -4.960 1.00 0.00 N ATOM 1270 CZ ARG A 78 -10.749 -9.416 -5.057 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.781 -10.717 -4.973 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.855 -8.746 -5.238 1.00 0.00 N ATOM 0 H ARG A 78 -8.132 -3.299 -5.382 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.682 -5.110 -3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.176 -5.703 -3.313 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.179 -6.148 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.243 -7.730 -4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.370 -7.340 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.674 -9.347 -3.136 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.846 -8.054 -2.976 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.101 -8.518 -5.803 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.917 -11.240 -4.831 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.670 -11.211 -5.049 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.830 -7.728 -5.304 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.744 -9.240 -5.314 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.840 -6.314 -5.739 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.167 -6.676 -7.022 1.00 0.00 C ATOM 1288 C ILE A 79 -5.803 -7.956 -7.576 1.00 0.00 C ATOM 1289 O ILE A 79 -6.351 -8.755 -6.842 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.659 -6.865 -6.789 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.337 -8.317 -6.421 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.205 -5.960 -5.648 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -1.879 -8.402 -5.963 1.00 0.00 C ATOM 0 H ILE A 79 -5.533 -6.840 -4.921 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.296 -5.874 -7.749 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.137 -6.610 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.002 -8.661 -5.628 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.501 -8.968 -7.279 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.136 -6.093 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.406 -4.920 -5.906 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.749 -6.219 -4.740 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.640 -9.432 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.224 -8.073 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.733 -7.761 -5.093 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.746 -8.152 -8.865 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.360 -9.374 -9.459 1.00 0.00 C ATOM 1307 C ASP A 80 -5.706 -10.625 -8.858 1.00 0.00 C ATOM 1308 O ASP A 80 -4.555 -10.596 -8.474 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.155 -9.362 -10.975 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.485 -9.646 -11.672 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.421 -8.894 -11.449 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.547 -10.608 -12.420 1.00 0.00 O ATOM 0 H ASP A 80 -5.302 -7.520 -9.532 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.427 -9.387 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.765 -8.395 -11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.416 -10.112 -11.259 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.473 -11.684 -8.790 1.00 0.00 N ATOM 1318 CA PRO A 81 -6.010 -12.967 -8.232 1.00 0.00 C ATOM 1319 C PRO A 81 -5.124 -13.712 -9.235 1.00 0.00 C ATOM 1320 O PRO A 81 -4.087 -14.240 -8.886 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.310 -13.736 -7.975 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.379 -13.109 -8.901 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.873 -11.700 -9.264 1.00 0.00 C ATOM 0 HA PRO A 81 -5.404 -12.845 -7.334 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.183 -14.797 -8.191 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.608 -13.657 -6.929 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.518 -13.714 -9.797 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.345 -13.057 -8.398 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.932 -11.520 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.467 -10.926 -8.778 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.522 -13.764 -10.478 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.696 -14.480 -11.491 1.00 0.00 C ATOM 1333 C ALA A 82 -3.677 -13.523 -12.096 1.00 0.00 C ATOM 1334 O ALA A 82 -3.033 -13.826 -13.081 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.601 -15.031 -12.594 1.00 0.00 C ATOM 0 H ALA A 82 -6.380 -13.343 -10.834 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.171 -15.304 -11.008 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.995 -15.554 -13.334 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.323 -15.723 -12.161 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.131 -14.209 -13.075 1.00 0.00 H new ATOM 1341 N SER A 83 -3.502 -12.378 -11.500 1.00 0.00 N ATOM 1342 CA SER A 83 -2.502 -11.419 -12.022 1.00 0.00 C ATOM 1343 C SER A 83 -1.452 -11.204 -10.945 1.00 0.00 C ATOM 1344 O SER A 83 -0.440 -10.601 -11.178 1.00 0.00 O ATOM 1345 CB SER A 83 -3.166 -10.081 -12.347 1.00 0.00 C ATOM 1346 OG SER A 83 -4.357 -10.312 -13.087 1.00 0.00 O ATOM 0 H SER A 83 -4.011 -12.068 -10.672 1.00 0.00 H new ATOM 0 HA SER A 83 -2.053 -11.815 -12.933 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.395 -9.543 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.484 -9.454 -12.921 1.00 0.00 H new ATOM 0 HG SER A 83 -4.785 -9.455 -13.295 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.690 -11.692 -9.758 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.701 -11.499 -8.665 1.00 0.00 C ATOM 1354 C GLU A 84 0.638 -12.114 -9.055 1.00 0.00 C ATOM 1355 O GLU A 84 1.635 -11.882 -8.409 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.220 -12.156 -7.384 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.242 -11.890 -6.239 1.00 0.00 C ATOM 1358 CD GLU A 84 0.510 -13.178 -5.900 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -0.009 -13.957 -5.118 1.00 0.00 O ATOM 1360 OE2 GLU A 84 1.595 -13.363 -6.428 1.00 0.00 O ATOM 0 H GLU A 84 -2.527 -12.215 -9.500 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.561 -10.432 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.205 -11.761 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.336 -13.229 -7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.463 -11.109 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.781 -11.530 -5.363 1.00 0.00 H new ATOM 1367 N ALA A 85 0.682 -12.890 -10.099 1.00 0.00 N ATOM 1368 CA ALA A 85 1.984 -13.488 -10.504 1.00 0.00 C ATOM 1369 C ALA A 85 2.686 -12.554 -11.500 1.00 0.00 C ATOM 1370 O ALA A 85 3.899 -12.513 -11.574 1.00 0.00 O ATOM 1371 CB ALA A 85 1.744 -14.851 -11.156 1.00 0.00 C ATOM 0 H ALA A 85 -0.117 -13.135 -10.684 1.00 0.00 H new ATOM 0 HA ALA A 85 2.613 -13.619 -9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.699 -15.286 -11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.248 -15.512 -10.445 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.114 -14.727 -12.037 1.00 0.00 H new ATOM 1377 N LYS A 86 1.935 -11.812 -12.274 1.00 0.00 N ATOM 1378 CA LYS A 86 2.564 -10.893 -13.269 1.00 0.00 C ATOM 1379 C LYS A 86 2.747 -9.492 -12.671 1.00 0.00 C ATOM 1380 O LYS A 86 3.673 -8.783 -13.013 1.00 0.00 O ATOM 1381 CB LYS A 86 1.675 -10.807 -14.511 1.00 0.00 C ATOM 1382 CG LYS A 86 0.302 -10.242 -14.137 1.00 0.00 C ATOM 1383 CD LYS A 86 -0.680 -10.495 -15.285 1.00 0.00 C ATOM 1384 CE LYS A 86 -1.121 -9.158 -15.885 1.00 0.00 C ATOM 1385 NZ LYS A 86 -1.150 -9.265 -17.371 1.00 0.00 N ATOM 0 H LYS A 86 0.915 -11.803 -12.260 1.00 0.00 H new ATOM 0 HA LYS A 86 3.544 -11.286 -13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.146 -10.172 -15.262 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.561 -11.796 -14.956 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.061 -10.712 -13.223 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.378 -9.173 -13.937 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.209 -11.112 -16.051 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.547 -11.046 -14.921 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.108 -8.887 -15.510 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.436 -8.367 -15.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.303 -8.811 -17.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.167 -10.268 -17.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.000 -8.791 -17.737 1.00 0.00 H new ATOM 1399 N LEU A 87 1.881 -9.084 -11.784 1.00 0.00 N ATOM 1400 CA LEU A 87 2.023 -7.728 -11.178 1.00 0.00 C ATOM 1401 C LEU A 87 3.161 -7.746 -10.183 1.00 0.00 C ATOM 1402 O LEU A 87 3.703 -6.727 -9.804 1.00 0.00 O ATOM 1403 CB LEU A 87 0.728 -7.313 -10.466 1.00 0.00 C ATOM 1404 CG LEU A 87 0.144 -8.460 -9.624 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.321 -8.160 -8.140 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.355 -8.579 -9.914 1.00 0.00 C ATOM 0 H LEU A 87 1.084 -9.628 -11.453 1.00 0.00 H new ATOM 0 HA LEU A 87 2.229 -7.008 -11.970 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.926 -6.455 -9.823 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.007 -6.995 -11.205 1.00 0.00 H new ATOM 0 HG LEU A 87 0.661 -9.386 -9.877 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.095 -8.977 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.382 -8.054 -7.914 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.197 -7.234 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.777 -9.390 -9.321 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.851 -7.644 -9.655 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.505 -8.788 -10.973 1.00 0.00 H new ATOM 1418 N VAL A 88 3.511 -8.904 -9.760 1.00 0.00 N ATOM 1419 CA VAL A 88 4.601 -9.051 -8.782 1.00 0.00 C ATOM 1420 C VAL A 88 5.947 -9.125 -9.503 1.00 0.00 C ATOM 1421 O VAL A 88 6.978 -8.792 -8.954 1.00 0.00 O ATOM 1422 CB VAL A 88 4.373 -10.343 -8.048 1.00 0.00 C ATOM 1423 CG1 VAL A 88 3.129 -10.229 -7.166 1.00 0.00 C ATOM 1424 CG2 VAL A 88 4.193 -11.465 -9.074 1.00 0.00 C ATOM 0 H VAL A 88 3.080 -9.780 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 88 4.613 -8.201 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 88 5.228 -10.564 -7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.970 -11.169 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.268 -9.425 -6.443 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.261 -10.011 -7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.027 -12.409 -8.555 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.335 -11.243 -9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.089 -11.542 -9.690 1.00 0.00 H new ATOM 1434 N GLU A 89 5.944 -9.580 -10.723 1.00 0.00 N ATOM 1435 CA GLU A 89 7.224 -9.699 -11.476 1.00 0.00 C ATOM 1436 C GLU A 89 7.944 -8.355 -11.439 1.00 0.00 C ATOM 1437 O GLU A 89 9.156 -8.289 -11.389 1.00 0.00 O ATOM 1438 CB GLU A 89 6.930 -10.078 -12.929 1.00 0.00 C ATOM 1439 CG GLU A 89 7.999 -11.050 -13.433 1.00 0.00 C ATOM 1440 CD GLU A 89 7.511 -11.723 -14.718 1.00 0.00 C ATOM 1441 OE1 GLU A 89 6.322 -11.982 -14.813 1.00 0.00 O ATOM 1442 OE2 GLU A 89 8.334 -11.966 -15.586 1.00 0.00 O ATOM 0 H GLU A 89 5.111 -9.875 -11.233 1.00 0.00 H new ATOM 0 HA GLU A 89 7.849 -10.469 -11.023 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.944 -10.536 -13.003 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.914 -9.184 -13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.931 -10.517 -13.620 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.209 -11.802 -12.673 1.00 0.00 H new ATOM 1449 N GLN A 90 7.209 -7.280 -11.433 1.00 0.00 N ATOM 1450 CA GLN A 90 7.857 -5.946 -11.364 1.00 0.00 C ATOM 1451 C GLN A 90 8.025 -5.576 -9.890 1.00 0.00 C ATOM 1452 O GLN A 90 8.953 -4.889 -9.510 1.00 0.00 O ATOM 1453 CB GLN A 90 6.979 -4.905 -12.065 1.00 0.00 C ATOM 1454 CG GLN A 90 7.817 -4.145 -13.097 1.00 0.00 C ATOM 1455 CD GLN A 90 6.989 -3.006 -13.696 1.00 0.00 C ATOM 1456 OE1 GLN A 90 5.846 -2.814 -13.334 1.00 0.00 O ATOM 1457 NE2 GLN A 90 7.524 -2.238 -14.606 1.00 0.00 N ATOM 0 H GLN A 90 6.190 -7.269 -11.473 1.00 0.00 H new ATOM 0 HA GLN A 90 8.827 -5.971 -11.860 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.136 -5.394 -12.554 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.565 -4.211 -11.334 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.716 -3.746 -12.627 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.144 -4.823 -13.885 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.484 -2.400 -14.910 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.982 -1.476 -15.013 1.00 0.00 H new ATOM 1466 N ALA A 91 7.131 -6.040 -9.055 1.00 0.00 N ATOM 1467 CA ALA A 91 7.229 -5.730 -7.602 1.00 0.00 C ATOM 1468 C ALA A 91 8.609 -6.137 -7.081 1.00 0.00 C ATOM 1469 O ALA A 91 9.459 -5.306 -6.831 1.00 0.00 O ATOM 1470 CB ALA A 91 6.147 -6.495 -6.840 1.00 0.00 C ATOM 0 H ALA A 91 6.336 -6.622 -9.320 1.00 0.00 H new ATOM 0 HA ALA A 91 7.088 -4.660 -7.452 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.220 -6.267 -5.777 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.165 -6.199 -7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.283 -7.566 -6.991 1.00 0.00 H new ATOM 1476 N PHE A 92 8.839 -7.409 -6.916 1.00 0.00 N ATOM 1477 CA PHE A 92 10.164 -7.867 -6.414 1.00 0.00 C ATOM 1478 C PHE A 92 11.277 -7.182 -7.211 1.00 0.00 C ATOM 1479 O PHE A 92 12.290 -6.789 -6.667 1.00 0.00 O ATOM 1480 CB PHE A 92 10.275 -9.383 -6.583 1.00 0.00 C ATOM 1481 CG PHE A 92 8.987 -10.034 -6.136 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.195 -9.421 -5.157 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.584 -11.250 -6.701 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.002 -10.024 -4.744 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.391 -11.854 -6.287 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.600 -11.240 -5.307 1.00 0.00 C ATOM 0 H PHE A 92 8.167 -8.152 -7.107 1.00 0.00 H new ATOM 0 HA PHE A 92 10.262 -7.610 -5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.477 -9.630 -7.625 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.111 -9.765 -5.997 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.505 -8.483 -4.721 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.194 -11.722 -7.457 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.391 -9.550 -3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.081 -12.792 -6.723 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.680 -11.706 -4.986 1.00 0.00 H new ATOM 1496 N ARG A 93 11.098 -7.038 -8.495 1.00 0.00 N ATOM 1497 CA ARG A 93 12.148 -6.381 -9.324 1.00 0.00 C ATOM 1498 C ARG A 93 12.209 -4.889 -8.990 1.00 0.00 C ATOM 1499 O ARG A 93 11.288 -4.330 -8.427 1.00 0.00 O ATOM 1500 CB ARG A 93 11.812 -6.557 -10.808 1.00 0.00 C ATOM 1501 CG ARG A 93 12.927 -7.351 -11.493 1.00 0.00 C ATOM 1502 CD ARG A 93 12.777 -8.834 -11.156 1.00 0.00 C ATOM 1503 NE ARG A 93 13.613 -9.643 -12.088 1.00 0.00 N ATOM 1504 CZ ARG A 93 14.545 -10.425 -11.616 1.00 0.00 C ATOM 1505 NH1 ARG A 93 15.520 -9.923 -10.906 1.00 0.00 N ATOM 1506 NH2 ARG A 93 14.503 -11.708 -11.852 1.00 0.00 N ATOM 0 H ARG A 93 10.271 -7.346 -9.006 1.00 0.00 H new ATOM 0 HA ARG A 93 13.114 -6.839 -9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.861 -7.077 -10.917 1.00 0.00 H new ATOM 0 HB3 ARG A 93 11.699 -5.583 -11.284 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.881 -7.206 -12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.901 -6.989 -11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.082 -9.016 -10.126 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.732 -9.132 -11.236 1.00 0.00 H new ATOM 0 HE ARG A 93 13.457 -9.585 -13.094 1.00 0.00 H new ATOM 0 HH11 ARG A 93 15.552 -8.920 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 93 16.249 -10.534 -10.537 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.741 -12.100 -12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.232 -12.319 -11.483 1.00 0.00 H new ATOM 1520 N LYS A 94 13.286 -4.238 -9.336 1.00 0.00 N ATOM 1521 CA LYS A 94 13.406 -2.782 -9.040 1.00 0.00 C ATOM 1522 C LYS A 94 13.363 -1.994 -10.352 1.00 0.00 C ATOM 1523 O LYS A 94 14.154 -2.218 -11.247 1.00 0.00 O ATOM 1524 CB LYS A 94 14.734 -2.511 -8.327 1.00 0.00 C ATOM 1525 CG LYS A 94 14.681 -3.078 -6.907 1.00 0.00 C ATOM 1526 CD LYS A 94 15.961 -2.698 -6.160 1.00 0.00 C ATOM 1527 CE LYS A 94 15.612 -2.276 -4.732 1.00 0.00 C ATOM 1528 NZ LYS A 94 14.706 -1.094 -4.770 1.00 0.00 N ATOM 0 H LYS A 94 14.088 -4.652 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 94 12.581 -2.472 -8.398 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.555 -2.967 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.928 -1.439 -8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.810 -2.688 -6.380 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.574 -4.162 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.649 -3.543 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.469 -1.884 -6.677 1.00 0.00 H new ATOM 0 HE2 LYS A 94 15.130 -3.100 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.521 -2.033 -4.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.931 -0.459 -3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.835 -0.586 -5.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.719 -1.411 -4.690 1.00 0.00 H new