USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 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= -3.77! C(o=-2.8!,f=-6.4!) USER MOD Set 1.2: A 60 TYR OH : rot -55:sc= 1 USER MOD Set 2.1: A 56 SER OG : rot 86:sc= 0.854 USER MOD Set 2.2: A 63 LYS NZ :NH3+ -172:sc= -0.0196 (180deg=0) USER MOD Set 3.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 54 ASN : amide:sc= -8.04! C(o=-8!,f=-4.6!) USER MOD Set 4.1: A 35 LYS NZ :NH3+ -142:sc= 0.134 (180deg=0) USER MOD Set 4.2: A 36 HIS : no HD1:sc= 0.118 X(o=0.25,f=0) USER MOD Set 5.1: A 8 TYR OH : rot 2:sc= 0.748 USER MOD Set 5.2: A 40 TYR OH : rot 30:sc= 0.665 USER MOD Set 6.1: A 6 TYR OH : rot 114:sc= 1.36! USER MOD Set 6.2: A 37 TYR OH : rot 70:sc= 1.92 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -6.68! C(o=-6.7!,f=-6.7!) USER MOD Single : A 14 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.3!) USER MOD Single : A 17 SER OG : rot 57:sc= -7.03! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.3!) USER MOD Single : A 23 GLN : amide:sc= -4.21! C(o=-4.2!,f=-9.2!) USER MOD Single : A 25 THR OG1 : rot -61:sc= -0.809! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -61:sc= 0.0682 USER MOD Single : A 32 HIS : no HD1:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 34 THR OG1 : rot -94:sc= -2.55! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0681 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -11.3! C(o=-11!,f=-13!) USER MOD Single : A 49 ASN : amide:sc=-0.00153 X(o=-0.0015,f=-0.27) USER MOD Single : A 53 HIS : no HD1:sc= -0.518 K(o=-0.52,f=-1.3) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.356 2.939 -6.413 1.00 0.00 N ATOM 80 CA TYR A 6 8.647 1.937 -7.252 1.00 0.00 C ATOM 81 C TYR A 6 7.579 2.653 -8.068 1.00 0.00 C ATOM 82 O TYR A 6 6.948 3.581 -7.598 1.00 0.00 O ATOM 83 CB TYR A 6 7.987 0.885 -6.361 1.00 0.00 C ATOM 84 CG TYR A 6 9.003 0.313 -5.407 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.114 -0.383 -5.896 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.830 0.477 -4.031 1.00 0.00 C ATOM 87 CE1 TYR A 6 11.052 -0.916 -5.002 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.765 -0.054 -3.137 1.00 0.00 C ATOM 89 CZ TYR A 6 10.877 -0.751 -3.622 1.00 0.00 C ATOM 90 OH TYR A 6 11.802 -1.276 -2.742 1.00 0.00 O ATOM 0 HA TYR A 6 9.358 1.443 -7.914 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.163 1.332 -5.804 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.563 0.090 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.248 -0.509 -6.960 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.972 1.015 -3.656 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.910 -1.454 -5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.629 0.074 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 6 12.256 -0.546 -2.271 1.00 0.00 H new ATOM 100 N SER A 7 7.356 2.234 -9.281 1.00 0.00 N ATOM 101 CA SER A 7 6.312 2.905 -10.100 1.00 0.00 C ATOM 102 C SER A 7 5.058 3.015 -9.240 1.00 0.00 C ATOM 103 O SER A 7 4.977 2.418 -8.193 1.00 0.00 O ATOM 104 CB SER A 7 6.016 2.063 -11.339 1.00 0.00 C ATOM 105 OG SER A 7 6.890 2.452 -12.391 1.00 0.00 O ATOM 0 H SER A 7 7.846 1.464 -9.737 1.00 0.00 H new ATOM 0 HA SER A 7 6.645 3.892 -10.422 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.148 1.005 -11.114 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.978 2.197 -11.644 1.00 0.00 H new ATOM 0 HG SER A 7 6.704 1.912 -13.187 1.00 0.00 H new ATOM 111 N TYR A 8 4.085 3.774 -9.642 1.00 0.00 N ATOM 112 CA TYR A 8 2.871 3.884 -8.791 1.00 0.00 C ATOM 113 C TYR A 8 1.888 2.770 -9.149 1.00 0.00 C ATOM 114 O TYR A 8 0.795 2.697 -8.624 1.00 0.00 O ATOM 115 CB TYR A 8 2.242 5.262 -8.973 1.00 0.00 C ATOM 116 CG TYR A 8 3.211 6.297 -8.448 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.910 6.054 -7.258 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.420 7.488 -9.151 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.817 7.001 -6.771 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.330 8.436 -8.662 1.00 0.00 C ATOM 121 CZ TYR A 8 5.028 8.192 -7.473 1.00 0.00 C ATOM 122 OH TYR A 8 5.923 9.127 -6.993 1.00 0.00 O ATOM 0 H TYR A 8 4.073 4.315 -10.507 1.00 0.00 H new ATOM 0 HA TYR A 8 3.142 3.770 -7.741 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.024 5.444 -10.025 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.295 5.321 -8.437 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.748 5.134 -6.716 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.882 7.677 -10.068 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.354 6.812 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.493 9.356 -9.203 1.00 0.00 H new ATOM 0 HH TYR A 8 6.340 8.790 -6.173 1.00 0.00 H new ATOM 132 N ALA A 9 2.290 1.878 -10.011 1.00 0.00 N ATOM 133 CA ALA A 9 1.410 0.735 -10.375 1.00 0.00 C ATOM 134 C ALA A 9 2.078 -0.545 -9.873 1.00 0.00 C ATOM 135 O ALA A 9 1.426 -1.498 -9.500 1.00 0.00 O ATOM 136 CB ALA A 9 1.236 0.672 -11.891 1.00 0.00 C ATOM 0 H ALA A 9 3.195 1.893 -10.481 1.00 0.00 H new ATOM 0 HA ALA A 9 0.425 0.854 -9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.590 -0.168 -12.149 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.784 1.599 -12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.209 0.540 -12.364 1.00 0.00 H new ATOM 142 N GLN A 10 3.384 -0.545 -9.827 1.00 0.00 N ATOM 143 CA GLN A 10 4.134 -1.723 -9.312 1.00 0.00 C ATOM 144 C GLN A 10 4.286 -1.525 -7.808 1.00 0.00 C ATOM 145 O GLN A 10 4.233 -2.454 -7.026 1.00 0.00 O ATOM 146 CB GLN A 10 5.511 -1.773 -9.978 1.00 0.00 C ATOM 147 CG GLN A 10 6.278 -2.993 -9.476 1.00 0.00 C ATOM 148 CD GLN A 10 7.596 -2.541 -8.841 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.584 -2.364 -9.525 1.00 0.00 O ATOM 150 NE2 GLN A 10 7.652 -2.347 -7.551 1.00 0.00 N ATOM 0 H GLN A 10 3.969 0.234 -10.129 1.00 0.00 H new ATOM 0 HA GLN A 10 3.614 -2.656 -9.528 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.401 -1.821 -11.061 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.068 -0.863 -9.754 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.679 -3.538 -8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.475 -3.677 -10.301 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.822 -2.496 -6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.525 -2.047 -7.118 1.00 0.00 H new ATOM 159 N LEU A 11 4.432 -0.293 -7.411 1.00 0.00 N ATOM 160 CA LEU A 11 4.543 0.039 -5.969 1.00 0.00 C ATOM 161 C LEU A 11 3.296 -0.507 -5.279 1.00 0.00 C ATOM 162 O LEU A 11 3.335 -0.988 -4.163 1.00 0.00 O ATOM 163 CB LEU A 11 4.588 1.563 -5.840 1.00 0.00 C ATOM 164 CG LEU A 11 4.445 1.992 -4.385 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.827 2.228 -3.786 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.661 3.296 -4.337 1.00 0.00 C ATOM 0 H LEU A 11 4.480 0.510 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 11 5.437 -0.391 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.529 1.938 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.788 2.006 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 11 3.929 1.216 -3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.725 2.535 -2.745 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.408 1.307 -3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.338 3.011 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.550 3.616 -3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.195 4.063 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.675 3.144 -4.777 1.00 0.00 H new ATOM 178 N ILE A 12 2.191 -0.443 -5.968 1.00 0.00 N ATOM 179 CA ILE A 12 0.907 -0.963 -5.412 1.00 0.00 C ATOM 180 C ILE A 12 0.991 -2.479 -5.344 1.00 0.00 C ATOM 181 O ILE A 12 0.636 -3.095 -4.362 1.00 0.00 O ATOM 182 CB ILE A 12 -0.251 -0.622 -6.346 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.087 0.758 -7.030 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.549 -0.648 -5.559 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.789 1.706 -6.203 1.00 0.00 C ATOM 0 H ILE A 12 2.121 -0.047 -6.906 1.00 0.00 H new ATOM 0 HA ILE A 12 0.743 -0.518 -4.430 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.262 -1.370 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.355 0.624 -8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.068 1.208 -7.179 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.381 -0.405 -6.221 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.699 -1.642 -5.137 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.501 0.084 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.878 2.662 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.333 1.862 -5.225 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.779 1.269 -6.076 1.00 0.00 H new ATOM 197 N VAL A 13 1.435 -3.081 -6.406 1.00 0.00 N ATOM 198 CA VAL A 13 1.531 -4.557 -6.434 1.00 0.00 C ATOM 199 C VAL A 13 2.282 -5.040 -5.199 1.00 0.00 C ATOM 200 O VAL A 13 2.045 -6.118 -4.713 1.00 0.00 O ATOM 201 CB VAL A 13 2.279 -4.981 -7.690 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.448 -6.500 -7.694 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.468 -4.543 -8.908 1.00 0.00 C ATOM 0 H VAL A 13 1.737 -2.610 -7.259 1.00 0.00 H new ATOM 0 HA VAL A 13 0.532 -4.994 -6.438 1.00 0.00 H new ATOM 0 HB VAL A 13 3.265 -4.517 -7.717 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.984 -6.804 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.014 -6.805 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.467 -6.975 -7.678 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.990 -4.839 -9.818 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.487 -5.017 -8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.348 -3.460 -8.895 1.00 0.00 H new ATOM 213 N GLN A 14 3.168 -4.247 -4.670 1.00 0.00 N ATOM 214 CA GLN A 14 3.899 -4.680 -3.448 1.00 0.00 C ATOM 215 C GLN A 14 2.954 -4.556 -2.254 1.00 0.00 C ATOM 216 O GLN A 14 2.970 -5.360 -1.343 1.00 0.00 O ATOM 217 CB GLN A 14 5.118 -3.787 -3.232 1.00 0.00 C ATOM 218 CG GLN A 14 6.391 -4.585 -3.522 1.00 0.00 C ATOM 219 CD GLN A 14 7.523 -3.628 -3.896 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.501 -4.028 -4.495 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.433 -2.368 -3.565 1.00 0.00 N ATOM 0 H GLN A 14 3.417 -3.324 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 14 4.234 -5.711 -3.558 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.065 -2.916 -3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.134 -3.416 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.672 -5.172 -2.647 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.213 -5.289 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.612 -2.030 -3.062 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.183 -1.722 -3.810 1.00 0.00 H new ATOM 230 N ALA A 15 2.125 -3.548 -2.262 1.00 0.00 N ATOM 231 CA ALA A 15 1.165 -3.350 -1.142 1.00 0.00 C ATOM 232 C ALA A 15 0.277 -4.588 -0.997 1.00 0.00 C ATOM 233 O ALA A 15 0.225 -5.201 0.052 1.00 0.00 O ATOM 234 CB ALA A 15 0.285 -2.130 -1.432 1.00 0.00 C ATOM 0 H ALA A 15 2.072 -2.849 -3.003 1.00 0.00 H new ATOM 0 HA ALA A 15 1.721 -3.191 -0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.418 -1.985 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.912 -1.244 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.267 -2.291 -2.358 1.00 0.00 H new ATOM 240 N ILE A 16 -0.439 -4.961 -2.027 1.00 0.00 N ATOM 241 CA ILE A 16 -1.329 -6.159 -1.901 1.00 0.00 C ATOM 242 C ILE A 16 -0.563 -7.449 -2.178 1.00 0.00 C ATOM 243 O ILE A 16 -1.039 -8.532 -1.906 1.00 0.00 O ATOM 244 CB ILE A 16 -2.484 -6.056 -2.875 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.033 -5.528 -4.225 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.528 -5.093 -2.314 1.00 0.00 C ATOM 247 CD1 ILE A 16 -0.759 -6.217 -4.698 1.00 0.00 C ATOM 0 H ILE A 16 -0.448 -4.498 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.705 -6.184 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.897 -7.056 -3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.824 -5.681 -4.959 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.863 -4.453 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.362 -5.015 -3.011 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.889 -5.466 -1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.078 -4.110 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.466 -5.814 -5.667 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.039 -6.042 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.937 -7.288 -4.789 1.00 0.00 H new ATOM 259 N SER A 17 0.610 -7.355 -2.713 1.00 0.00 N ATOM 260 CA SER A 17 1.392 -8.596 -2.979 1.00 0.00 C ATOM 261 C SER A 17 1.610 -9.300 -1.647 1.00 0.00 C ATOM 262 O SER A 17 1.948 -10.465 -1.587 1.00 0.00 O ATOM 263 CB SER A 17 2.757 -8.261 -3.584 1.00 0.00 C ATOM 264 OG SER A 17 2.673 -8.313 -5.001 1.00 0.00 O ATOM 0 H SER A 17 1.066 -6.482 -2.979 1.00 0.00 H new ATOM 0 HA SER A 17 0.846 -9.225 -3.682 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.075 -7.269 -3.264 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.508 -8.966 -3.227 1.00 0.00 H new ATOM 0 HG SER A 17 1.972 -7.702 -5.310 1.00 0.00 H new ATOM 270 N SER A 18 1.419 -8.587 -0.571 1.00 0.00 N ATOM 271 CA SER A 18 1.615 -9.193 0.768 1.00 0.00 C ATOM 272 C SER A 18 0.381 -10.012 1.139 1.00 0.00 C ATOM 273 O SER A 18 0.464 -10.970 1.881 1.00 0.00 O ATOM 274 CB SER A 18 1.823 -8.086 1.803 1.00 0.00 C ATOM 275 OG SER A 18 1.948 -8.669 3.094 1.00 0.00 O ATOM 0 H SER A 18 1.135 -7.607 -0.566 1.00 0.00 H new ATOM 0 HA SER A 18 2.491 -9.842 0.750 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.717 -7.511 1.563 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.983 -7.392 1.784 1.00 0.00 H new ATOM 0 HG SER A 18 2.083 -7.963 3.760 1.00 0.00 H new ATOM 281 N ALA A 19 -0.769 -9.646 0.639 1.00 0.00 N ATOM 282 CA ALA A 19 -1.993 -10.417 0.989 1.00 0.00 C ATOM 283 C ALA A 19 -2.575 -11.073 -0.275 1.00 0.00 C ATOM 284 O ALA A 19 -2.608 -10.474 -1.330 1.00 0.00 O ATOM 285 CB ALA A 19 -3.008 -9.457 1.604 1.00 0.00 C ATOM 0 H ALA A 19 -0.912 -8.855 0.011 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.752 -11.204 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.913 -10.004 1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.584 -9.004 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.253 -8.676 0.884 1.00 0.00 H new ATOM 291 N GLN A 20 -3.029 -12.303 -0.175 1.00 0.00 N ATOM 292 CA GLN A 20 -3.603 -13.003 -1.371 1.00 0.00 C ATOM 293 C GLN A 20 -4.505 -12.038 -2.146 1.00 0.00 C ATOM 294 O GLN A 20 -4.042 -11.262 -2.958 1.00 0.00 O ATOM 295 CB GLN A 20 -4.420 -14.219 -0.914 1.00 0.00 C ATOM 296 CG GLN A 20 -4.999 -13.962 0.481 1.00 0.00 C ATOM 297 CD GLN A 20 -6.423 -14.514 0.555 1.00 0.00 C ATOM 298 OE1 GLN A 20 -7.100 -14.621 -0.448 1.00 0.00 O ATOM 299 NE2 GLN A 20 -6.911 -14.871 1.712 1.00 0.00 N ATOM 0 H GLN A 20 -3.026 -12.852 0.685 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.792 -13.337 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.226 -14.414 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.789 -15.107 -0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.375 -14.436 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.001 -12.893 0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.343 -14.781 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.860 -15.240 1.773 1.00 0.00 H new ATOM 308 N ASP A 21 -5.789 -12.066 -1.896 1.00 0.00 N ATOM 309 CA ASP A 21 -6.700 -11.123 -2.606 1.00 0.00 C ATOM 310 C ASP A 21 -6.752 -9.844 -1.786 1.00 0.00 C ATOM 311 O ASP A 21 -7.805 -9.367 -1.411 1.00 0.00 O ATOM 312 CB ASP A 21 -8.107 -11.712 -2.706 1.00 0.00 C ATOM 313 CG ASP A 21 -8.033 -13.125 -3.289 1.00 0.00 C ATOM 314 OD1 ASP A 21 -7.297 -13.933 -2.743 1.00 0.00 O ATOM 315 OD2 ASP A 21 -8.711 -13.376 -4.272 1.00 0.00 O ATOM 0 H ASP A 21 -6.242 -12.697 -1.235 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.335 -10.936 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.572 -11.738 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.733 -11.080 -3.336 1.00 0.00 H new ATOM 320 N ARG A 22 -5.611 -9.310 -1.478 1.00 0.00 N ATOM 321 CA ARG A 22 -5.557 -8.088 -0.648 1.00 0.00 C ATOM 322 C ARG A 22 -6.316 -6.950 -1.310 1.00 0.00 C ATOM 323 O ARG A 22 -6.131 -6.646 -2.476 1.00 0.00 O ATOM 324 CB ARG A 22 -4.104 -7.665 -0.478 1.00 0.00 C ATOM 325 CG ARG A 22 -3.958 -6.697 0.707 1.00 0.00 C ATOM 326 CD ARG A 22 -4.781 -7.172 1.908 1.00 0.00 C ATOM 327 NE ARG A 22 -4.027 -6.896 3.164 1.00 0.00 N ATOM 328 CZ ARG A 22 -4.651 -6.427 4.209 1.00 0.00 C ATOM 329 NH1 ARG A 22 -5.648 -7.089 4.727 1.00 0.00 N ATOM 330 NH2 ARG A 22 -4.276 -5.294 4.737 1.00 0.00 N ATOM 0 H ARG A 22 -4.704 -9.673 -1.770 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.013 -8.306 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.480 -8.544 -0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.749 -7.187 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.908 -6.618 0.989 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.284 -5.700 0.409 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.743 -6.661 1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.988 -8.239 1.822 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.024 -7.074 3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.941 -7.975 4.315 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.135 -6.721 5.544 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.496 -4.776 4.332 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.763 -4.926 5.554 1.00 0.00 H new ATOM 344 N GLN A 23 -7.145 -6.306 -0.545 1.00 0.00 N ATOM 345 CA GLN A 23 -7.916 -5.157 -1.058 1.00 0.00 C ATOM 346 C GLN A 23 -7.630 -3.985 -0.129 1.00 0.00 C ATOM 347 O GLN A 23 -8.389 -3.689 0.773 1.00 0.00 O ATOM 348 CB GLN A 23 -9.417 -5.476 -1.062 1.00 0.00 C ATOM 349 CG GLN A 23 -9.661 -6.881 -0.498 1.00 0.00 C ATOM 350 CD GLN A 23 -11.162 -7.139 -0.374 1.00 0.00 C ATOM 351 OE1 GLN A 23 -11.875 -7.119 -1.356 1.00 0.00 O ATOM 352 NE2 GLN A 23 -11.673 -7.391 0.799 1.00 0.00 N ATOM 0 H GLN A 23 -7.321 -6.536 0.433 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.628 -4.924 -2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.955 -4.738 -0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -9.807 -5.411 -2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.208 -7.628 -1.150 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.185 -6.978 0.478 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.073 -7.408 1.624 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -12.673 -7.572 0.892 1.00 0.00 H new ATOM 361 N LEU A 24 -6.521 -3.337 -0.327 1.00 0.00 N ATOM 362 CA LEU A 24 -6.154 -2.206 0.559 1.00 0.00 C ATOM 363 C LEU A 24 -6.929 -0.965 0.149 1.00 0.00 C ATOM 364 O LEU A 24 -7.219 -0.753 -1.013 1.00 0.00 O ATOM 365 CB LEU A 24 -4.655 -1.919 0.432 1.00 0.00 C ATOM 366 CG LEU A 24 -3.862 -3.226 0.513 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.487 -3.026 -0.129 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.683 -3.622 1.980 1.00 0.00 C ATOM 0 H LEU A 24 -5.851 -3.543 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.394 -2.468 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.451 -1.419 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.338 -1.242 1.225 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.401 -4.013 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.920 -3.955 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.611 -2.740 -1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.949 -2.240 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.119 -4.553 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.142 -2.835 2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.661 -3.761 2.441 1.00 0.00 H new ATOM 380 N THR A 25 -7.251 -0.126 1.089 1.00 0.00 N ATOM 381 CA THR A 25 -7.984 1.111 0.741 1.00 0.00 C ATOM 382 C THR A 25 -6.972 2.094 0.173 1.00 0.00 C ATOM 383 O THR A 25 -5.801 1.791 0.068 1.00 0.00 O ATOM 384 CB THR A 25 -8.635 1.701 1.995 1.00 0.00 C ATOM 385 OG1 THR A 25 -8.591 0.746 3.046 1.00 0.00 O ATOM 386 CG2 THR A 25 -10.089 2.067 1.692 1.00 0.00 C ATOM 0 H THR A 25 -7.038 -0.245 2.079 1.00 0.00 H new ATOM 0 HA THR A 25 -8.769 0.902 0.014 1.00 0.00 H new ATOM 0 HB THR A 25 -8.094 2.597 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 25 -9.094 -0.053 2.783 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.552 2.487 2.585 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.119 2.802 0.888 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.633 1.173 1.387 1.00 0.00 H new ATOM 394 N LEU A 26 -7.392 3.262 -0.193 1.00 0.00 N ATOM 395 CA LEU A 26 -6.417 4.234 -0.746 1.00 0.00 C ATOM 396 C LEU A 26 -5.402 4.577 0.342 1.00 0.00 C ATOM 397 O LEU A 26 -4.230 4.754 0.079 1.00 0.00 O ATOM 398 CB LEU A 26 -7.149 5.497 -1.202 1.00 0.00 C ATOM 399 CG LEU A 26 -7.918 5.200 -2.492 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.012 4.174 -2.209 1.00 0.00 C ATOM 401 CD2 LEU A 26 -8.556 6.490 -3.011 1.00 0.00 C ATOM 0 H LEU A 26 -8.357 3.587 -0.136 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.903 3.803 -1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.836 5.833 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.436 6.304 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.232 4.803 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.559 3.963 -3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.561 3.255 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.698 4.571 -1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.104 6.281 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.242 6.884 -2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.777 7.226 -3.213 1.00 0.00 H new ATOM 413 N SER A 27 -5.842 4.665 1.569 1.00 0.00 N ATOM 414 CA SER A 27 -4.907 4.996 2.682 1.00 0.00 C ATOM 415 C SER A 27 -4.242 3.724 3.220 1.00 0.00 C ATOM 416 O SER A 27 -3.715 3.712 4.314 1.00 0.00 O ATOM 417 CB SER A 27 -5.687 5.672 3.809 1.00 0.00 C ATOM 418 OG SER A 27 -6.307 6.850 3.311 1.00 0.00 O ATOM 0 H SER A 27 -6.812 4.521 1.849 1.00 0.00 H new ATOM 0 HA SER A 27 -4.134 5.666 2.306 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.440 4.991 4.205 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.017 5.920 4.632 1.00 0.00 H new ATOM 0 HG SER A 27 -6.809 7.285 4.031 1.00 0.00 H new ATOM 424 N GLY A 28 -4.238 2.660 2.462 1.00 0.00 N ATOM 425 CA GLY A 28 -3.575 1.412 2.945 1.00 0.00 C ATOM 426 C GLY A 28 -2.212 1.342 2.274 1.00 0.00 C ATOM 427 O GLY A 28 -1.179 1.245 2.905 1.00 0.00 O ATOM 0 H GLY A 28 -4.661 2.600 1.536 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.470 1.427 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.173 0.536 2.694 1.00 0.00 H new ATOM 431 N ILE A 29 -2.233 1.424 0.983 1.00 0.00 N ATOM 432 CA ILE A 29 -0.996 1.406 0.182 1.00 0.00 C ATOM 433 C ILE A 29 -0.066 2.494 0.674 1.00 0.00 C ATOM 434 O ILE A 29 1.129 2.468 0.469 1.00 0.00 O ATOM 435 CB ILE A 29 -1.394 1.698 -1.241 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.211 1.468 -2.159 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.870 3.143 -1.356 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.606 1.898 -3.557 1.00 0.00 C ATOM 0 H ILE A 29 -3.088 1.506 0.433 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.488 0.445 0.261 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.206 1.032 -1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.653 2.038 -1.816 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.077 0.417 -2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.157 3.351 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.729 3.296 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.065 3.816 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.232 1.741 -4.236 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.460 1.308 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.875 2.954 -3.550 1.00 0.00 H new ATOM 450 N TYR A 30 -0.617 3.457 1.319 1.00 0.00 N ATOM 451 CA TYR A 30 0.218 4.555 1.841 1.00 0.00 C ATOM 452 C TYR A 30 0.934 4.048 3.081 1.00 0.00 C ATOM 453 O TYR A 30 2.120 4.240 3.252 1.00 0.00 O ATOM 454 CB TYR A 30 -0.675 5.747 2.146 1.00 0.00 C ATOM 455 CG TYR A 30 -1.447 6.086 0.889 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.984 5.645 -0.364 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.631 6.817 0.973 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.706 5.938 -1.522 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.355 7.114 -0.190 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.893 6.673 -1.437 1.00 0.00 C ATOM 461 OH TYR A 30 -3.610 6.964 -2.581 1.00 0.00 O ATOM 0 H TYR A 30 -1.615 3.537 1.512 1.00 0.00 H new ATOM 0 HA TYR A 30 0.965 4.877 1.115 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.359 5.512 2.962 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.076 6.599 2.467 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.067 5.078 -0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.990 7.154 1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.349 5.598 -2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.270 7.684 -0.125 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.056 7.498 -3.188 1.00 0.00 H new ATOM 471 N ALA A 31 0.230 3.353 3.923 1.00 0.00 N ATOM 472 CA ALA A 31 0.879 2.777 5.126 1.00 0.00 C ATOM 473 C ALA A 31 1.882 1.720 4.652 1.00 0.00 C ATOM 474 O ALA A 31 2.809 1.361 5.351 1.00 0.00 O ATOM 475 CB ALA A 31 -0.178 2.124 6.020 1.00 0.00 C ATOM 0 H ALA A 31 -0.767 3.159 3.830 1.00 0.00 H new ATOM 0 HA ALA A 31 1.385 3.554 5.699 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.302 1.702 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.908 2.873 6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.682 1.331 5.468 1.00 0.00 H new ATOM 481 N HIS A 32 1.697 1.228 3.449 1.00 0.00 N ATOM 482 CA HIS A 32 2.621 0.202 2.890 1.00 0.00 C ATOM 483 C HIS A 32 4.025 0.798 2.762 1.00 0.00 C ATOM 484 O HIS A 32 4.876 0.610 3.607 1.00 0.00 O ATOM 485 CB HIS A 32 2.088 -0.211 1.502 1.00 0.00 C ATOM 486 CG HIS A 32 3.194 -0.706 0.580 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.958 -0.944 -0.765 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.526 -1.010 0.774 1.00 0.00 C ATOM 489 CE1 HIS A 32 4.106 -1.375 -1.317 1.00 0.00 C ATOM 490 NE2 HIS A 32 5.093 -1.435 -0.423 1.00 0.00 N ATOM 0 H HIS A 32 0.935 1.500 2.828 1.00 0.00 H new ATOM 0 HA HIS A 32 2.673 -0.669 3.543 1.00 0.00 H new ATOM 0 HB2 HIS A 32 1.340 -0.995 1.621 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.587 0.640 1.040 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.050 -0.930 1.715 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.215 -1.640 -2.358 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.057 -1.729 -0.582 1.00 0.00 H new ATOM 498 N ILE A 33 4.274 1.476 1.680 1.00 0.00 N ATOM 499 CA ILE A 33 5.621 2.063 1.436 1.00 0.00 C ATOM 500 C ILE A 33 6.042 2.975 2.600 1.00 0.00 C ATOM 501 O ILE A 33 7.200 3.056 2.944 1.00 0.00 O ATOM 502 CB ILE A 33 5.564 2.850 0.125 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.941 2.769 -0.569 1.00 0.00 C ATOM 504 CG2 ILE A 33 5.150 4.299 0.401 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.424 4.152 -1.020 1.00 0.00 C ATOM 0 H ILE A 33 3.592 1.652 0.942 1.00 0.00 H new ATOM 0 HA ILE A 33 6.364 1.269 1.365 1.00 0.00 H new ATOM 0 HB ILE A 33 4.816 2.420 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.669 2.333 0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.877 2.106 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.112 4.852 -0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.166 4.313 0.870 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.877 4.764 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.396 4.058 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.708 4.576 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.513 4.807 -0.153 1.00 0.00 H new ATOM 517 N THR A 34 5.121 3.671 3.199 1.00 0.00 N ATOM 518 CA THR A 34 5.506 4.573 4.325 1.00 0.00 C ATOM 519 C THR A 34 6.192 3.750 5.417 1.00 0.00 C ATOM 520 O THR A 34 7.050 4.235 6.129 1.00 0.00 O ATOM 521 CB THR A 34 4.261 5.248 4.904 1.00 0.00 C ATOM 522 OG1 THR A 34 3.308 4.257 5.252 1.00 0.00 O ATOM 523 CG2 THR A 34 3.664 6.200 3.868 1.00 0.00 C ATOM 0 H THR A 34 4.128 3.658 2.965 1.00 0.00 H new ATOM 0 HA THR A 34 6.187 5.339 3.955 1.00 0.00 H new ATOM 0 HB THR A 34 4.534 5.815 5.794 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.688 4.123 4.505 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.777 6.680 4.283 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.399 6.961 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.389 5.639 2.975 1.00 0.00 H new ATOM 531 N LYS A 35 5.825 2.507 5.550 1.00 0.00 N ATOM 532 CA LYS A 35 6.455 1.644 6.589 1.00 0.00 C ATOM 533 C LYS A 35 7.839 1.191 6.108 1.00 0.00 C ATOM 534 O LYS A 35 8.835 1.393 6.775 1.00 0.00 O ATOM 535 CB LYS A 35 5.570 0.418 6.831 1.00 0.00 C ATOM 536 CG LYS A 35 5.785 -0.098 8.255 1.00 0.00 C ATOM 537 CD LYS A 35 5.877 -1.625 8.235 1.00 0.00 C ATOM 538 CE LYS A 35 7.313 -2.046 7.923 1.00 0.00 C ATOM 539 NZ LYS A 35 7.360 -3.518 7.685 1.00 0.00 N ATOM 0 H LYS A 35 5.113 2.049 4.982 1.00 0.00 H new ATOM 0 HA LYS A 35 6.562 2.206 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.522 0.679 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.810 -0.364 6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.698 0.327 8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.963 0.219 8.896 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.569 -2.031 9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.197 -2.031 7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.677 -1.513 7.044 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.969 -1.780 8.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.233 -3.908 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.536 -3.969 8.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.343 -3.705 6.662 1.00 0.00 H new ATOM 553 N HIS A 36 7.909 0.581 4.953 1.00 0.00 N ATOM 554 CA HIS A 36 9.228 0.116 4.428 1.00 0.00 C ATOM 555 C HIS A 36 10.060 1.328 4.004 1.00 0.00 C ATOM 556 O HIS A 36 11.102 1.607 4.563 1.00 0.00 O ATOM 557 CB HIS A 36 9.003 -0.798 3.222 1.00 0.00 C ATOM 558 CG HIS A 36 8.563 -2.156 3.697 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.469 -3.133 4.082 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.320 -2.716 3.851 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.762 -4.219 4.445 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.448 -4.019 4.325 1.00 0.00 N ATOM 0 H HIS A 36 7.110 0.385 4.350 1.00 0.00 H new ATOM 0 HA HIS A 36 9.757 -0.435 5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.248 -0.369 2.563 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.921 -0.884 2.641 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.384 -2.221 3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.205 -5.141 4.792 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.699 -4.679 4.535 1.00 0.00 H new ATOM 570 N TYR A 37 9.603 2.054 3.020 1.00 0.00 N ATOM 571 CA TYR A 37 10.364 3.255 2.563 1.00 0.00 C ATOM 572 C TYR A 37 10.111 4.404 3.551 1.00 0.00 C ATOM 573 O TYR A 37 8.992 4.854 3.695 1.00 0.00 O ATOM 574 CB TYR A 37 9.888 3.672 1.164 1.00 0.00 C ATOM 575 CG TYR A 37 10.722 2.976 0.126 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.686 1.583 0.029 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.533 3.719 -0.737 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.461 0.928 -0.934 1.00 0.00 C ATOM 579 CE2 TYR A 37 12.309 3.067 -1.700 1.00 0.00 C ATOM 580 CZ TYR A 37 12.274 1.670 -1.800 1.00 0.00 C ATOM 581 OH TYR A 37 13.039 1.027 -2.751 1.00 0.00 O ATOM 0 H TYR A 37 8.738 1.869 2.513 1.00 0.00 H new ATOM 0 HA TYR A 37 11.428 3.022 2.522 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.837 3.415 1.034 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.969 4.753 1.047 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.060 1.011 0.698 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.560 4.796 -0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.432 -0.149 -1.010 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.936 3.640 -2.367 1.00 0.00 H new ATOM 0 HH TYR A 37 12.455 0.659 -3.446 1.00 0.00 H new ATOM 591 N PRO A 38 11.157 4.832 4.221 1.00 0.00 N ATOM 592 CA PRO A 38 11.068 5.914 5.221 1.00 0.00 C ATOM 593 C PRO A 38 10.958 7.287 4.552 1.00 0.00 C ATOM 594 O PRO A 38 10.365 8.198 5.092 1.00 0.00 O ATOM 595 CB PRO A 38 12.380 5.789 6.002 1.00 0.00 C ATOM 596 CG PRO A 38 13.371 5.046 5.077 1.00 0.00 C ATOM 597 CD PRO A 38 12.519 4.286 4.043 1.00 0.00 C ATOM 0 HA PRO A 38 10.184 5.828 5.853 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.765 6.772 6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.228 5.238 6.930 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.043 5.749 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.993 4.357 5.649 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.884 4.450 3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.543 3.211 4.221 1.00 0.00 H new ATOM 605 N TYR A 39 11.522 7.451 3.387 1.00 0.00 N ATOM 606 CA TYR A 39 11.435 8.777 2.711 1.00 0.00 C ATOM 607 C TYR A 39 9.967 9.133 2.481 1.00 0.00 C ATOM 608 O TYR A 39 9.539 10.240 2.735 1.00 0.00 O ATOM 609 CB TYR A 39 12.157 8.728 1.364 1.00 0.00 C ATOM 610 CG TYR A 39 11.869 10.003 0.607 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.344 11.227 1.093 1.00 0.00 C ATOM 612 CD2 TYR A 39 11.121 9.962 -0.576 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.072 12.410 0.398 1.00 0.00 C ATOM 614 CE2 TYR A 39 10.848 11.147 -1.272 1.00 0.00 C ATOM 615 CZ TYR A 39 11.323 12.371 -0.785 1.00 0.00 C ATOM 616 OH TYR A 39 11.055 13.537 -1.472 1.00 0.00 O ATOM 0 H TYR A 39 12.035 6.732 2.877 1.00 0.00 H new ATOM 0 HA TYR A 39 11.906 9.530 3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.230 8.614 1.516 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.823 7.865 0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.921 11.258 2.005 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.755 9.018 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.440 13.354 0.774 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.271 11.116 -2.184 1.00 0.00 H new ATOM 0 HH TYR A 39 10.526 13.332 -2.271 1.00 0.00 H new ATOM 626 N TYR A 40 9.193 8.202 1.996 1.00 0.00 N ATOM 627 CA TYR A 40 7.754 8.488 1.746 1.00 0.00 C ATOM 628 C TYR A 40 7.021 8.635 3.083 1.00 0.00 C ATOM 629 O TYR A 40 6.604 7.664 3.683 1.00 0.00 O ATOM 630 CB TYR A 40 7.141 7.336 0.947 1.00 0.00 C ATOM 631 CG TYR A 40 7.219 7.651 -0.528 1.00 0.00 C ATOM 632 CD1 TYR A 40 8.250 8.462 -1.018 1.00 0.00 C ATOM 633 CD2 TYR A 40 6.259 7.134 -1.405 1.00 0.00 C ATOM 634 CE1 TYR A 40 8.319 8.755 -2.385 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.327 7.429 -2.772 1.00 0.00 C ATOM 636 CZ TYR A 40 7.358 8.239 -3.261 1.00 0.00 C ATOM 637 OH TYR A 40 7.422 8.532 -4.607 1.00 0.00 O ATOM 0 H TYR A 40 9.495 7.256 1.762 1.00 0.00 H new ATOM 0 HA TYR A 40 7.658 9.415 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.672 6.408 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.103 7.185 1.243 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.991 8.861 -0.342 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.465 6.507 -1.027 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.114 9.380 -2.764 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.585 7.032 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 40 8.357 8.668 -4.868 1.00 0.00 H new ATOM 647 N ARG A 41 6.860 9.843 3.553 1.00 0.00 N ATOM 648 CA ARG A 41 6.154 10.055 4.849 1.00 0.00 C ATOM 649 C ARG A 41 5.956 11.554 5.076 1.00 0.00 C ATOM 650 O ARG A 41 4.858 12.017 5.317 1.00 0.00 O ATOM 651 CB ARG A 41 6.990 9.473 5.990 1.00 0.00 C ATOM 652 CG ARG A 41 6.369 9.870 7.332 1.00 0.00 C ATOM 653 CD ARG A 41 7.291 10.857 8.049 1.00 0.00 C ATOM 654 NE ARG A 41 7.969 10.171 9.186 1.00 0.00 N ATOM 655 CZ ARG A 41 7.330 9.980 10.309 1.00 0.00 C ATOM 656 NH1 ARG A 41 6.851 10.998 10.969 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.173 8.769 10.771 1.00 0.00 N ATOM 0 H ARG A 41 7.188 10.693 3.094 1.00 0.00 H new ATOM 0 HA ARG A 41 5.185 9.557 4.822 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.035 8.387 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.014 9.840 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.390 10.321 7.172 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.215 8.985 7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.033 11.249 7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.716 11.708 8.415 1.00 0.00 H new ATOM 0 HE ARG A 41 8.932 9.851 9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.975 11.944 10.608 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.352 10.848 11.846 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.549 7.974 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.674 8.618 11.648 1.00 0.00 H new ATOM 671 N THR A 42 7.013 12.315 4.999 1.00 0.00 N ATOM 672 CA THR A 42 6.893 13.786 5.208 1.00 0.00 C ATOM 673 C THR A 42 6.681 14.479 3.859 1.00 0.00 C ATOM 674 O THR A 42 6.649 15.691 3.772 1.00 0.00 O ATOM 675 CB THR A 42 8.176 14.314 5.851 1.00 0.00 C ATOM 676 OG1 THR A 42 9.287 13.584 5.352 1.00 0.00 O ATOM 677 CG2 THR A 42 8.095 14.146 7.369 1.00 0.00 C ATOM 0 H THR A 42 7.956 11.981 4.800 1.00 0.00 H new ATOM 0 HA THR A 42 6.044 13.991 5.861 1.00 0.00 H new ATOM 0 HB THR A 42 8.295 15.370 5.611 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.111 13.922 5.761 1.00 0.00 H new ATOM 0 HG21 THR A 42 9.010 14.523 7.826 1.00 0.00 H new ATOM 0 HG22 THR A 42 7.241 14.705 7.752 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.976 13.090 7.612 1.00 0.00 H new ATOM 685 N ALA A 43 6.537 13.721 2.807 1.00 0.00 N ATOM 686 CA ALA A 43 6.329 14.337 1.468 1.00 0.00 C ATOM 687 C ALA A 43 5.342 13.486 0.668 1.00 0.00 C ATOM 688 O ALA A 43 5.611 13.090 -0.449 1.00 0.00 O ATOM 689 CB ALA A 43 7.663 14.406 0.722 1.00 0.00 C ATOM 0 H ALA A 43 6.555 12.701 2.818 1.00 0.00 H new ATOM 0 HA ALA A 43 5.930 15.344 1.589 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.509 14.857 -0.258 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.368 15.010 1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.064 13.400 0.599 1.00 0.00 H new ATOM 695 N ASP A 44 4.202 13.196 1.233 1.00 0.00 N ATOM 696 CA ASP A 44 3.200 12.368 0.505 1.00 0.00 C ATOM 697 C ASP A 44 2.758 13.096 -0.766 1.00 0.00 C ATOM 698 O ASP A 44 2.123 12.523 -1.626 1.00 0.00 O ATOM 699 CB ASP A 44 1.985 12.125 1.403 1.00 0.00 C ATOM 700 CG ASP A 44 2.355 11.129 2.505 1.00 0.00 C ATOM 701 OD1 ASP A 44 3.097 11.509 3.396 1.00 0.00 O ATOM 702 OD2 ASP A 44 1.889 10.003 2.439 1.00 0.00 O ATOM 0 H ASP A 44 3.922 13.496 2.167 1.00 0.00 H new ATOM 0 HA ASP A 44 3.649 11.412 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.652 13.064 1.844 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.155 11.738 0.812 1.00 0.00 H new ATOM 707 N LYS A 45 3.091 14.354 -0.894 1.00 0.00 N ATOM 708 CA LYS A 45 2.690 15.108 -2.116 1.00 0.00 C ATOM 709 C LYS A 45 3.514 14.609 -3.305 1.00 0.00 C ATOM 710 O LYS A 45 4.530 15.174 -3.655 1.00 0.00 O ATOM 711 CB LYS A 45 2.946 16.602 -1.905 1.00 0.00 C ATOM 712 CG LYS A 45 1.609 17.339 -1.793 1.00 0.00 C ATOM 713 CD LYS A 45 1.783 18.785 -2.258 1.00 0.00 C ATOM 714 CE LYS A 45 0.577 19.614 -1.812 1.00 0.00 C ATOM 715 NZ LYS A 45 0.820 21.050 -2.123 1.00 0.00 N ATOM 0 H LYS A 45 3.622 14.889 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 45 1.629 14.951 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.535 16.757 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.526 17.003 -2.736 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.854 16.839 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.255 17.317 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.699 19.204 -1.842 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.880 18.820 -3.343 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.323 19.268 -2.320 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.409 19.486 -0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.001 21.614 -1.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.670 21.375 -1.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.960 21.165 -3.147 1.00 0.00 H new ATOM 729 N GLY A 46 3.080 13.547 -3.920 1.00 0.00 N ATOM 730 CA GLY A 46 3.834 12.992 -5.087 1.00 0.00 C ATOM 731 C GLY A 46 3.165 11.703 -5.595 1.00 0.00 C ATOM 732 O GLY A 46 3.121 11.442 -6.780 1.00 0.00 O ATOM 0 H GLY A 46 2.235 13.035 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.871 13.730 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.864 12.785 -4.797 1.00 0.00 H new ATOM 736 N TRP A 47 2.654 10.894 -4.702 1.00 0.00 N ATOM 737 CA TRP A 47 1.999 9.623 -5.116 1.00 0.00 C ATOM 738 C TRP A 47 0.662 9.471 -4.379 1.00 0.00 C ATOM 739 O TRP A 47 -0.028 8.489 -4.538 1.00 0.00 O ATOM 740 CB TRP A 47 2.911 8.445 -4.755 1.00 0.00 C ATOM 741 CG TRP A 47 3.202 8.474 -3.290 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.782 9.506 -2.638 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.946 7.453 -2.286 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.889 9.192 -1.300 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.394 7.934 -1.032 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.375 6.171 -2.339 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.278 7.172 0.128 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.258 5.398 -1.171 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.711 5.899 0.058 1.00 0.00 C ATOM 0 H TRP A 47 2.664 11.064 -3.696 1.00 0.00 H new ATOM 0 HA TRP A 47 1.822 9.638 -6.191 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.431 7.504 -5.023 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.840 8.502 -5.323 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.109 10.429 -3.093 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.286 9.814 -0.595 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.024 5.777 -3.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.624 7.563 1.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.817 4.413 -1.220 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.621 5.299 0.951 1.00 0.00 H new ATOM 760 N GLN A 48 0.305 10.436 -3.565 1.00 0.00 N ATOM 761 CA GLN A 48 -0.974 10.368 -2.797 1.00 0.00 C ATOM 762 C GLN A 48 -2.125 9.808 -3.664 1.00 0.00 C ATOM 763 O GLN A 48 -2.196 8.625 -3.920 1.00 0.00 O ATOM 764 CB GLN A 48 -1.347 11.770 -2.270 1.00 0.00 C ATOM 765 CG GLN A 48 -0.836 12.895 -3.202 1.00 0.00 C ATOM 766 CD GLN A 48 -0.867 12.470 -4.677 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.910 12.398 -5.291 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.260 12.237 -5.285 1.00 0.00 N ATOM 0 H GLN A 48 0.855 11.279 -3.400 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.825 9.690 -1.956 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.430 11.844 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.927 11.906 -1.273 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.450 13.786 -3.067 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.183 13.164 -2.922 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.139 12.297 -4.771 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.264 11.995 -6.276 1.00 0.00 H new ATOM 777 N ASN A 49 -3.047 10.639 -4.089 1.00 0.00 N ATOM 778 CA ASN A 49 -4.190 10.141 -4.911 1.00 0.00 C ATOM 779 C ASN A 49 -3.680 9.527 -6.214 1.00 0.00 C ATOM 780 O ASN A 49 -4.363 8.747 -6.843 1.00 0.00 O ATOM 781 CB ASN A 49 -5.131 11.305 -5.230 1.00 0.00 C ATOM 782 CG ASN A 49 -6.562 10.921 -4.848 1.00 0.00 C ATOM 783 OD1 ASN A 49 -7.218 10.188 -5.561 1.00 0.00 O ATOM 784 ND2 ASN A 49 -7.078 11.390 -3.744 1.00 0.00 N ATOM 0 H ASN A 49 -3.055 11.641 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.725 9.377 -4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.823 12.196 -4.683 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.079 11.549 -6.291 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.031 11.141 -3.481 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.528 12.005 -3.145 1.00 0.00 H new ATOM 791 N SER A 50 -2.489 9.858 -6.628 1.00 0.00 N ATOM 792 CA SER A 50 -1.967 9.265 -7.891 1.00 0.00 C ATOM 793 C SER A 50 -2.076 7.744 -7.790 1.00 0.00 C ATOM 794 O SER A 50 -2.184 7.048 -8.778 1.00 0.00 O ATOM 795 CB SER A 50 -0.501 9.661 -8.079 1.00 0.00 C ATOM 796 OG SER A 50 -0.052 9.208 -9.349 1.00 0.00 O ATOM 0 H SER A 50 -1.860 10.506 -6.153 1.00 0.00 H new ATOM 0 HA SER A 50 -2.544 9.629 -8.741 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.392 10.743 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.110 9.226 -7.288 1.00 0.00 H new ATOM 0 HG SER A 50 0.887 9.461 -9.474 1.00 0.00 H new ATOM 802 N ILE A 51 -2.051 7.235 -6.590 1.00 0.00 N ATOM 803 CA ILE A 51 -2.152 5.765 -6.372 1.00 0.00 C ATOM 804 C ILE A 51 -3.566 5.291 -6.729 1.00 0.00 C ATOM 805 O ILE A 51 -3.750 4.461 -7.595 1.00 0.00 O ATOM 806 CB ILE A 51 -1.815 5.484 -4.891 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.543 4.644 -4.820 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.947 4.722 -4.187 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.520 5.231 -5.751 1.00 0.00 C ATOM 0 H ILE A 51 -1.963 7.786 -5.736 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.454 5.221 -7.008 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.680 6.442 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.169 4.620 -3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.760 3.614 -5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.673 4.543 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.862 5.313 -4.225 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.111 3.768 -4.689 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.426 4.627 -5.696 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.146 5.232 -6.775 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.746 6.253 -5.446 1.00 0.00 H new ATOM 821 N ARG A 52 -4.564 5.810 -6.072 1.00 0.00 N ATOM 822 CA ARG A 52 -5.956 5.388 -6.387 1.00 0.00 C ATOM 823 C ARG A 52 -6.162 5.491 -7.897 1.00 0.00 C ATOM 824 O ARG A 52 -6.652 4.582 -8.538 1.00 0.00 O ATOM 825 CB ARG A 52 -6.935 6.317 -5.663 1.00 0.00 C ATOM 826 CG ARG A 52 -8.363 6.084 -6.167 1.00 0.00 C ATOM 827 CD ARG A 52 -9.110 7.420 -6.206 1.00 0.00 C ATOM 828 NE ARG A 52 -10.309 7.294 -7.082 1.00 0.00 N ATOM 829 CZ ARG A 52 -10.965 8.360 -7.452 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.268 9.278 -6.575 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.316 8.509 -8.700 1.00 0.00 N ATOM 0 H ARG A 52 -4.477 6.507 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.129 4.362 -6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.888 6.139 -4.589 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.649 7.356 -5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.342 5.637 -7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.882 5.383 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.411 7.710 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.453 8.205 -6.581 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.618 6.373 -7.393 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.992 9.163 -5.600 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.781 10.111 -6.865 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.078 7.793 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.829 9.342 -8.990 1.00 0.00 H new ATOM 845 N HIS A 53 -5.780 6.598 -8.465 1.00 0.00 N ATOM 846 CA HIS A 53 -5.932 6.793 -9.930 1.00 0.00 C ATOM 847 C HIS A 53 -5.059 5.781 -10.673 1.00 0.00 C ATOM 848 O HIS A 53 -5.370 5.360 -11.770 1.00 0.00 O ATOM 849 CB HIS A 53 -5.481 8.212 -10.279 1.00 0.00 C ATOM 850 CG HIS A 53 -5.877 8.533 -11.693 1.00 0.00 C ATOM 851 ND1 HIS A 53 -6.944 7.910 -12.322 1.00 0.00 N ATOM 852 CD2 HIS A 53 -5.360 9.411 -12.615 1.00 0.00 C ATOM 853 CE1 HIS A 53 -7.034 8.416 -13.566 1.00 0.00 C ATOM 854 NE2 HIS A 53 -6.092 9.334 -13.797 1.00 0.00 N ATOM 0 H HIS A 53 -5.363 7.386 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 53 -6.972 6.648 -10.222 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.934 8.928 -9.592 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.401 8.300 -10.164 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -4.514 10.062 -12.448 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.778 8.116 -14.289 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.941 9.865 -14.655 1.00 0.00 H new ATOM 862 N ASN A 54 -3.963 5.396 -10.083 1.00 0.00 N ATOM 863 CA ASN A 54 -3.052 4.418 -10.745 1.00 0.00 C ATOM 864 C ASN A 54 -3.697 3.033 -10.770 1.00 0.00 C ATOM 865 O ASN A 54 -4.098 2.541 -11.806 1.00 0.00 O ATOM 866 CB ASN A 54 -1.740 4.338 -9.962 1.00 0.00 C ATOM 867 CG ASN A 54 -0.731 5.316 -10.566 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.492 5.302 -11.756 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.123 6.172 -9.789 1.00 0.00 N ATOM 0 H ASN A 54 -3.656 5.718 -9.165 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.861 4.747 -11.766 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.914 4.578 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.345 3.323 -9.995 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.552 6.828 -10.182 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.323 6.185 -8.789 1.00 0.00 H new ATOM 876 N LEU A 55 -3.780 2.398 -9.638 1.00 0.00 N ATOM 877 CA LEU A 55 -4.375 1.036 -9.584 1.00 0.00 C ATOM 878 C LEU A 55 -5.849 1.083 -10.005 1.00 0.00 C ATOM 879 O LEU A 55 -6.478 0.061 -10.193 1.00 0.00 O ATOM 880 CB LEU A 55 -4.252 0.498 -8.161 1.00 0.00 C ATOM 881 CG LEU A 55 -4.822 1.515 -7.180 1.00 0.00 C ATOM 882 CD1 LEU A 55 -6.225 1.080 -6.759 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.920 1.582 -5.954 1.00 0.00 C ATOM 0 H LEU A 55 -3.460 2.765 -8.742 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.843 0.379 -10.272 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.786 -0.448 -8.071 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.207 0.297 -7.926 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.874 2.496 -7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.636 1.806 -6.057 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.867 1.022 -7.638 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.175 0.102 -6.281 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.321 2.308 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.875 0.601 -5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.918 1.885 -6.256 1.00 0.00 H new ATOM 895 N SER A 56 -6.407 2.250 -10.172 1.00 0.00 N ATOM 896 CA SER A 56 -7.832 2.325 -10.598 1.00 0.00 C ATOM 897 C SER A 56 -7.891 2.189 -12.120 1.00 0.00 C ATOM 898 O SER A 56 -8.727 1.493 -12.661 1.00 0.00 O ATOM 899 CB SER A 56 -8.429 3.668 -10.177 1.00 0.00 C ATOM 900 OG SER A 56 -8.761 3.620 -8.795 1.00 0.00 O ATOM 0 H SER A 56 -5.943 3.148 -10.033 1.00 0.00 H new ATOM 0 HA SER A 56 -8.404 1.525 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.716 4.471 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.318 3.886 -10.769 1.00 0.00 H new ATOM 0 HG SER A 56 -7.972 3.851 -8.261 1.00 0.00 H new ATOM 906 N LEU A 57 -7.000 2.846 -12.810 1.00 0.00 N ATOM 907 CA LEU A 57 -6.988 2.757 -14.293 1.00 0.00 C ATOM 908 C LEU A 57 -6.077 1.607 -14.731 1.00 0.00 C ATOM 909 O LEU A 57 -5.842 1.403 -15.906 1.00 0.00 O ATOM 910 CB LEU A 57 -6.458 4.070 -14.870 1.00 0.00 C ATOM 911 CG LEU A 57 -5.015 4.290 -14.412 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.055 3.687 -15.439 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.745 5.791 -14.282 1.00 0.00 C ATOM 0 H LEU A 57 -6.278 3.443 -12.407 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.000 2.575 -14.656 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.504 4.045 -15.959 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.084 4.901 -14.544 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.863 3.808 -13.446 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.027 3.844 -15.112 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.247 2.618 -15.533 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.206 4.169 -16.405 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.717 5.949 -13.956 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.897 6.273 -15.248 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.428 6.222 -13.550 1.00 0.00 H new ATOM 925 N ASN A 58 -5.556 0.855 -13.796 1.00 0.00 N ATOM 926 CA ASN A 58 -4.654 -0.276 -14.173 1.00 0.00 C ATOM 927 C ASN A 58 -5.495 -1.480 -14.602 1.00 0.00 C ATOM 928 O ASN A 58 -6.699 -1.500 -14.443 1.00 0.00 O ATOM 929 CB ASN A 58 -3.759 -0.669 -12.990 1.00 0.00 C ATOM 930 CG ASN A 58 -2.308 -0.307 -13.317 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.547 -1.141 -13.762 1.00 0.00 O ATOM 932 ND2 ASN A 58 -1.893 0.914 -13.118 1.00 0.00 N ATOM 0 H ASN A 58 -5.714 0.973 -12.795 1.00 0.00 H new ATOM 0 HA ASN A 58 -4.020 0.043 -15.000 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.081 -0.151 -12.087 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.845 -1.738 -12.793 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -0.929 1.167 -13.336 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.532 1.615 -12.744 1.00 0.00 H new ATOM 939 N ARG A 59 -4.868 -2.479 -15.163 1.00 0.00 N ATOM 940 CA ARG A 59 -5.630 -3.674 -15.624 1.00 0.00 C ATOM 941 C ARG A 59 -5.710 -4.732 -14.515 1.00 0.00 C ATOM 942 O ARG A 59 -6.691 -5.439 -14.403 1.00 0.00 O ATOM 943 CB ARG A 59 -4.938 -4.274 -16.849 1.00 0.00 C ATOM 944 CG ARG A 59 -3.515 -4.695 -16.480 1.00 0.00 C ATOM 945 CD ARG A 59 -2.948 -5.592 -17.583 1.00 0.00 C ATOM 946 NE ARG A 59 -3.171 -4.950 -18.909 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.717 -5.515 -19.995 1.00 0.00 C ATOM 948 NH1 ARG A 59 -1.475 -5.914 -20.054 1.00 0.00 N ATOM 949 NH2 ARG A 59 -3.505 -5.685 -21.021 1.00 0.00 N ATOM 0 H ARG A 59 -3.861 -2.519 -15.322 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.643 -3.363 -15.881 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.500 -5.135 -17.211 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.914 -3.545 -17.659 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.885 -3.815 -16.352 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.516 -5.227 -15.528 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.883 -5.756 -17.421 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -3.429 -6.570 -17.555 1.00 0.00 H new ATOM 0 HE ARG A 59 -3.679 -4.068 -18.968 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.859 -5.784 -19.251 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.121 -6.355 -20.903 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.476 -5.376 -20.975 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.150 -6.126 -21.869 1.00 0.00 H new ATOM 963 N TYR A 60 -4.691 -4.867 -13.707 1.00 0.00 N ATOM 964 CA TYR A 60 -4.749 -5.908 -12.635 1.00 0.00 C ATOM 965 C TYR A 60 -5.390 -5.348 -11.370 1.00 0.00 C ATOM 966 O TYR A 60 -5.959 -6.077 -10.589 1.00 0.00 O ATOM 967 CB TYR A 60 -3.343 -6.426 -12.285 1.00 0.00 C ATOM 968 CG TYR A 60 -2.293 -5.375 -12.560 1.00 0.00 C ATOM 969 CD1 TYR A 60 -2.335 -4.128 -11.917 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.275 -5.653 -13.475 1.00 0.00 C ATOM 971 CE1 TYR A 60 -1.353 -3.169 -12.199 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.296 -4.696 -13.752 1.00 0.00 C ATOM 973 CZ TYR A 60 -0.335 -3.452 -13.116 1.00 0.00 C ATOM 974 OH TYR A 60 0.630 -2.506 -13.393 1.00 0.00 O ATOM 0 H TYR A 60 -3.835 -4.313 -13.740 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.351 -6.731 -13.020 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.309 -6.713 -11.234 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.127 -7.322 -12.867 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.120 -3.909 -11.209 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.245 -6.612 -13.971 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.382 -2.208 -11.707 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.491 -4.917 -14.458 1.00 0.00 H new ATOM 0 HH TYR A 60 0.199 -1.673 -13.677 1.00 0.00 H new ATOM 984 N PHE A 61 -5.297 -4.078 -11.131 1.00 0.00 N ATOM 985 CA PHE A 61 -5.894 -3.543 -9.881 1.00 0.00 C ATOM 986 C PHE A 61 -7.402 -3.373 -10.028 1.00 0.00 C ATOM 987 O PHE A 61 -7.890 -2.560 -10.788 1.00 0.00 O ATOM 988 CB PHE A 61 -5.235 -2.221 -9.522 1.00 0.00 C ATOM 989 CG PHE A 61 -3.828 -2.511 -9.072 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.612 -3.254 -7.908 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.740 -2.057 -9.823 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.313 -3.540 -7.497 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.440 -2.346 -9.412 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.226 -3.089 -8.247 1.00 0.00 C ATOM 0 H PHE A 61 -4.841 -3.393 -11.735 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.718 -4.256 -9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.230 -1.552 -10.382 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.793 -1.719 -8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.452 -3.606 -7.328 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.907 -1.482 -10.722 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.146 -4.112 -6.596 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.599 -1.997 -9.993 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.219 -3.314 -7.927 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.134 -4.150 -9.283 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.620 -4.085 -9.325 1.00 0.00 C ATOM 1006 C ILE A 62 -10.128 -3.499 -7.998 1.00 0.00 C ATOM 1007 O ILE A 62 -9.353 -3.108 -7.147 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.188 -5.503 -9.535 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.387 -6.210 -8.189 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.214 -6.328 -10.382 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.877 -7.639 -8.431 1.00 0.00 C ATOM 0 H ILE A 62 -7.758 -4.841 -8.634 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.947 -3.450 -10.149 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.149 -5.415 -10.042 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.450 -6.225 -7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.110 -5.664 -7.583 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.618 -7.330 -10.529 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.076 -5.847 -11.350 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.254 -6.395 -9.870 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.019 -8.142 -7.474 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.824 -7.613 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.138 -8.182 -9.021 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.418 -3.444 -7.812 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.959 -2.887 -6.539 1.00 0.00 C ATOM 1025 C LYS A 63 -12.934 -3.886 -5.911 1.00 0.00 C ATOM 1026 O LYS A 63 -13.405 -4.799 -6.560 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.692 -1.576 -6.828 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.977 -0.834 -7.959 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.523 0.590 -8.064 1.00 0.00 C ATOM 1030 CE LYS A 63 -11.974 1.435 -6.913 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.660 2.018 -7.307 1.00 0.00 N ATOM 0 H LYS A 63 -12.119 -3.759 -8.483 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.136 -2.702 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.726 -1.778 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.719 -0.956 -5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.904 -0.810 -7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.123 -1.361 -8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.238 1.030 -9.020 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.612 0.576 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.677 2.230 -6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.858 0.821 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.223 2.478 -6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.035 1.262 -7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.804 2.721 -8.060 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.247 -3.717 -4.654 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.196 -4.654 -3.996 1.00 0.00 C ATOM 1047 C VAL A 64 -15.538 -4.620 -4.745 1.00 0.00 C ATOM 1048 O VAL A 64 -16.042 -5.646 -5.157 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.363 -4.259 -2.513 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -15.820 -4.416 -2.057 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -13.478 -5.162 -1.654 1.00 0.00 C ATOM 0 H VAL A 64 -12.886 -2.972 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.811 -5.673 -4.031 1.00 0.00 H new ATOM 0 HB VAL A 64 -14.074 -3.214 -2.401 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.906 -4.130 -1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -16.462 -3.775 -2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -16.129 -5.454 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -13.590 -4.889 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.775 -6.201 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.436 -5.040 -1.951 1.00 0.00 H new ATOM 1218 N PHE A 76 -11.851 -0.202 -0.403 1.00 0.00 N ATOM 1219 CA PHE A 76 -10.955 -1.389 -0.289 1.00 0.00 C ATOM 1220 C PHE A 76 -10.767 -2.028 -1.665 1.00 0.00 C ATOM 1221 O PHE A 76 -11.476 -2.943 -2.036 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.589 -2.411 0.659 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.642 -2.711 1.798 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.927 -1.673 2.408 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -10.485 -4.028 2.247 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -9.054 -1.953 3.466 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -9.612 -4.307 3.304 1.00 0.00 C ATOM 1228 CZ PHE A 76 -8.896 -3.269 3.915 1.00 0.00 C ATOM 0 HA PHE A 76 -9.986 -1.074 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.530 -2.023 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.822 -3.328 0.117 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -10.049 -0.657 2.063 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.038 -4.828 1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.502 -1.153 3.936 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.490 -5.323 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.223 -3.484 4.732 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.820 -1.558 -2.430 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.601 -2.152 -3.779 1.00 0.00 C ATOM 1240 C TRP A 77 -8.522 -3.240 -3.693 1.00 0.00 C ATOM 1241 O TRP A 77 -7.542 -3.101 -2.983 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.162 -1.057 -4.751 1.00 0.00 C ATOM 1243 CG TRP A 77 -7.792 -0.590 -4.388 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.499 0.604 -3.821 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.526 -1.285 -4.558 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.131 0.683 -3.633 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.489 -0.455 -4.075 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.180 -2.542 -5.083 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.156 -0.859 -4.110 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -4.840 -2.950 -5.122 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -3.831 -2.110 -4.636 1.00 0.00 C ATOM 0 H TRP A 77 -9.192 -0.793 -2.182 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.529 -2.599 -4.137 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.169 -1.438 -5.772 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -9.863 -0.223 -4.717 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.215 1.369 -3.559 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.655 1.484 -3.218 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.952 -3.198 -5.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.380 -0.209 -3.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.584 -3.917 -5.529 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -2.800 -2.430 -4.668 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.702 -4.324 -4.407 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.699 -5.436 -4.369 1.00 0.00 C ATOM 1264 C ARG A 78 -7.163 -5.699 -5.771 1.00 0.00 C ATOM 1265 O ARG A 78 -7.766 -5.323 -6.751 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.374 -6.723 -3.875 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.800 -6.791 -4.425 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.156 -8.243 -4.747 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.557 -8.309 -5.249 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.272 -9.381 -5.044 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.741 -10.562 -5.215 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.516 -9.271 -4.669 1.00 0.00 N ATOM 0 H ARG A 78 -9.503 -4.488 -5.017 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.887 -5.148 -3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.805 -7.594 -4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.391 -6.743 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.502 -6.387 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.884 -6.178 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.471 -8.640 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.048 -8.862 -3.856 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.957 -7.517 -5.752 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.768 -10.646 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.300 -11.400 -5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.929 -8.348 -4.536 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.076 -10.108 -4.508 1.00 0.00 H new ATOM 1286 N ILE A 79 -6.049 -6.377 -5.876 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.501 -6.696 -7.230 1.00 0.00 C ATOM 1288 C ILE A 79 -5.938 -8.113 -7.612 1.00 0.00 C ATOM 1289 O ILE A 79 -6.270 -8.919 -6.765 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.973 -6.593 -7.238 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.463 -6.826 -8.662 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.370 -7.643 -6.313 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.270 -5.911 -8.933 1.00 0.00 C ATOM 0 H ILE A 79 -5.498 -6.722 -5.090 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.886 -5.978 -7.955 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.680 -5.602 -6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.171 -7.869 -8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.258 -6.627 -9.381 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.283 -7.560 -6.327 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.733 -7.485 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.662 -8.637 -6.652 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.907 -6.077 -9.947 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.577 -4.871 -8.823 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.474 -6.131 -8.222 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.962 -8.417 -8.880 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.401 -9.769 -9.316 1.00 0.00 C ATOM 1307 C ASP A 80 -5.477 -10.837 -8.726 1.00 0.00 C ATOM 1308 O ASP A 80 -4.302 -10.600 -8.528 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.369 -9.848 -10.843 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.563 -9.085 -11.420 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.678 -9.381 -11.022 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.342 -8.218 -12.250 1.00 0.00 O ATOM 0 H ASP A 80 -5.695 -7.784 -9.634 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.417 -9.946 -8.963 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.438 -9.425 -11.220 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.400 -10.889 -11.164 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.047 -11.984 -8.459 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.314 -13.124 -7.882 1.00 0.00 C ATOM 1319 C PRO A 81 -4.542 -13.878 -8.971 1.00 0.00 C ATOM 1320 O PRO A 81 -3.420 -14.299 -8.771 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.426 -14.003 -7.303 1.00 0.00 C ATOM 1322 CG PRO A 81 -7.722 -13.630 -8.065 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.481 -12.249 -8.701 1.00 0.00 C ATOM 0 HA PRO A 81 -4.575 -12.824 -7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.191 -15.060 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -6.541 -13.829 -6.233 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.949 -14.373 -8.829 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.575 -13.600 -7.386 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.711 -12.256 -9.767 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.110 -11.485 -8.244 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.138 -14.062 -10.118 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.441 -14.800 -11.211 1.00 0.00 C ATOM 1333 C ALA A 82 -3.473 -13.866 -11.936 1.00 0.00 C ATOM 1334 O ALA A 82 -2.620 -14.304 -12.683 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.474 -15.334 -12.205 1.00 0.00 C ATOM 0 H ALA A 82 -6.077 -13.734 -10.346 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.882 -15.631 -10.781 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.965 -15.873 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.159 -16.008 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.035 -14.501 -12.629 1.00 0.00 H new ATOM 1341 N SER A 83 -3.584 -12.587 -11.717 1.00 0.00 N ATOM 1342 CA SER A 83 -2.656 -11.641 -12.393 1.00 0.00 C ATOM 1343 C SER A 83 -1.542 -11.264 -11.423 1.00 0.00 C ATOM 1344 O SER A 83 -0.566 -10.654 -11.795 1.00 0.00 O ATOM 1345 CB SER A 83 -3.410 -10.375 -12.805 1.00 0.00 C ATOM 1346 OG SER A 83 -4.486 -10.727 -13.664 1.00 0.00 O ATOM 0 H SER A 83 -4.274 -12.157 -11.102 1.00 0.00 H new ATOM 0 HA SER A 83 -2.239 -12.115 -13.281 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.788 -9.860 -11.922 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.736 -9.685 -13.312 1.00 0.00 H new ATOM 0 HG SER A 83 -4.972 -9.918 -13.928 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.683 -11.616 -10.175 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.636 -11.254 -9.182 1.00 0.00 C ATOM 1354 C GLU A 84 0.713 -11.834 -9.598 1.00 0.00 C ATOM 1355 O GLU A 84 1.661 -11.107 -9.810 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.016 -11.796 -7.801 1.00 0.00 C ATOM 1357 CG GLU A 84 -1.848 -10.749 -7.056 1.00 0.00 C ATOM 1358 CD GLU A 84 -2.939 -11.447 -6.245 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -2.762 -12.612 -5.927 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -3.936 -10.805 -5.955 1.00 0.00 O ATOM 0 H GLU A 84 -2.476 -12.137 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.560 -10.167 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.583 -12.721 -7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.118 -12.035 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.208 -10.163 -6.396 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.296 -10.053 -7.765 1.00 0.00 H new ATOM 1367 N ALA A 85 0.814 -13.130 -9.717 1.00 0.00 N ATOM 1368 CA ALA A 85 2.118 -13.736 -10.116 1.00 0.00 C ATOM 1369 C ALA A 85 2.754 -12.910 -11.237 1.00 0.00 C ATOM 1370 O ALA A 85 3.957 -12.893 -11.401 1.00 0.00 O ATOM 1371 CB ALA A 85 1.888 -15.169 -10.604 1.00 0.00 C ATOM 0 H ALA A 85 0.055 -13.793 -9.556 1.00 0.00 H new ATOM 0 HA ALA A 85 2.787 -13.747 -9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.841 -15.611 -10.895 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.444 -15.759 -9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.216 -15.158 -11.462 1.00 0.00 H new ATOM 1377 N LYS A 86 1.957 -12.221 -12.010 1.00 0.00 N ATOM 1378 CA LYS A 86 2.525 -11.398 -13.114 1.00 0.00 C ATOM 1379 C LYS A 86 2.966 -10.034 -12.569 1.00 0.00 C ATOM 1380 O LYS A 86 4.132 -9.694 -12.599 1.00 0.00 O ATOM 1381 CB LYS A 86 1.466 -11.195 -14.198 1.00 0.00 C ATOM 1382 CG LYS A 86 2.153 -10.911 -15.537 1.00 0.00 C ATOM 1383 CD LYS A 86 1.324 -9.902 -16.335 1.00 0.00 C ATOM 1384 CE LYS A 86 1.369 -8.539 -15.642 1.00 0.00 C ATOM 1385 NZ LYS A 86 1.653 -7.480 -16.652 1.00 0.00 N ATOM 0 H LYS A 86 0.941 -12.193 -11.924 1.00 0.00 H new ATOM 0 HA LYS A 86 3.387 -11.913 -13.539 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.839 -12.083 -14.280 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.811 -10.366 -13.930 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.156 -10.519 -15.367 1.00 0.00 H new ATOM 0 HG3 LYS A 86 2.264 -11.835 -16.104 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.713 -9.818 -17.350 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.293 -10.246 -16.416 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.419 -8.339 -15.146 1.00 0.00 H new ATOM 0 HE3 LYS A 86 2.138 -8.536 -14.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.684 -6.552 -16.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 2.570 -7.670 -17.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.904 -7.478 -17.373 1.00 0.00 H new ATOM 1399 N LEU A 87 2.044 -9.244 -12.086 1.00 0.00 N ATOM 1400 CA LEU A 87 2.419 -7.902 -11.557 1.00 0.00 C ATOM 1401 C LEU A 87 3.551 -8.032 -10.551 1.00 0.00 C ATOM 1402 O LEU A 87 4.610 -7.461 -10.706 1.00 0.00 O ATOM 1403 CB LEU A 87 1.220 -7.228 -10.870 1.00 0.00 C ATOM 1404 CG LEU A 87 0.237 -8.268 -10.315 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -0.092 -7.931 -8.860 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.061 -8.234 -11.133 1.00 0.00 C ATOM 0 H LEU A 87 1.051 -9.470 -12.035 1.00 0.00 H new ATOM 0 HA LEU A 87 2.740 -7.290 -12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.574 -6.590 -10.060 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.706 -6.583 -11.582 1.00 0.00 H new ATOM 0 HG LEU A 87 0.689 -9.258 -10.376 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.790 -8.669 -8.465 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.823 -7.943 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.544 -6.940 -8.809 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.759 -8.973 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.507 -7.242 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.840 -8.464 -12.175 1.00 0.00 H new ATOM 1418 N VAL A 88 3.324 -8.764 -9.514 1.00 0.00 N ATOM 1419 CA VAL A 88 4.364 -8.933 -8.471 1.00 0.00 C ATOM 1420 C VAL A 88 5.747 -9.130 -9.096 1.00 0.00 C ATOM 1421 O VAL A 88 6.754 -8.791 -8.508 1.00 0.00 O ATOM 1422 CB VAL A 88 4.039 -10.172 -7.684 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.726 -9.983 -6.925 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.911 -11.345 -8.654 1.00 0.00 C ATOM 0 H VAL A 88 2.452 -9.262 -9.337 1.00 0.00 H new ATOM 0 HA VAL A 88 4.379 -8.041 -7.845 1.00 0.00 H new ATOM 0 HB VAL A 88 4.832 -10.368 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.500 -10.886 -6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.819 -9.139 -6.241 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.921 -9.788 -7.634 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.675 -12.253 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.115 -11.140 -9.369 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.852 -11.480 -9.187 1.00 0.00 H new ATOM 1434 N GLU A 89 5.811 -9.701 -10.262 1.00 0.00 N ATOM 1435 CA GLU A 89 7.141 -9.941 -10.891 1.00 0.00 C ATOM 1436 C GLU A 89 7.914 -8.625 -10.928 1.00 0.00 C ATOM 1437 O GLU A 89 9.050 -8.551 -10.503 1.00 0.00 O ATOM 1438 CB GLU A 89 6.951 -10.465 -12.316 1.00 0.00 C ATOM 1439 CG GLU A 89 8.254 -11.107 -12.799 1.00 0.00 C ATOM 1440 CD GLU A 89 8.028 -12.600 -13.044 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.179 -13.166 -12.376 1.00 0.00 O ATOM 1442 OE2 GLU A 89 8.707 -13.150 -13.894 1.00 0.00 O ATOM 0 H GLU A 89 5.007 -10.012 -10.807 1.00 0.00 H new ATOM 0 HA GLU A 89 7.695 -10.680 -10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.142 -11.195 -12.342 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.666 -9.649 -12.980 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.591 -10.624 -13.716 1.00 0.00 H new ATOM 0 HG3 GLU A 89 9.039 -10.964 -12.056 1.00 0.00 H new ATOM 1449 N GLN A 90 7.307 -7.584 -11.414 1.00 0.00 N ATOM 1450 CA GLN A 90 8.006 -6.274 -11.453 1.00 0.00 C ATOM 1451 C GLN A 90 7.957 -5.643 -10.057 1.00 0.00 C ATOM 1452 O GLN A 90 8.655 -4.692 -9.771 1.00 0.00 O ATOM 1453 CB GLN A 90 7.315 -5.354 -12.460 1.00 0.00 C ATOM 1454 CG GLN A 90 8.111 -5.336 -13.765 1.00 0.00 C ATOM 1455 CD GLN A 90 7.249 -5.903 -14.895 1.00 0.00 C ATOM 1456 OE1 GLN A 90 7.459 -7.017 -15.334 1.00 0.00 O ATOM 1457 NE2 GLN A 90 6.281 -5.179 -15.387 1.00 0.00 N ATOM 0 H GLN A 90 6.357 -7.583 -11.786 1.00 0.00 H new ATOM 0 HA GLN A 90 9.043 -6.417 -11.756 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.298 -5.700 -12.647 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.239 -4.345 -12.054 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.417 -4.317 -14.003 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.021 -5.926 -13.657 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.105 -4.244 -15.018 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.700 -5.548 -16.140 1.00 0.00 H new ATOM 1466 N ALA A 91 7.135 -6.172 -9.185 1.00 0.00 N ATOM 1467 CA ALA A 91 7.040 -5.603 -7.810 1.00 0.00 C ATOM 1468 C ALA A 91 8.318 -5.909 -7.028 1.00 0.00 C ATOM 1469 O ALA A 91 9.044 -5.017 -6.639 1.00 0.00 O ATOM 1470 CB ALA A 91 5.830 -6.185 -7.083 1.00 0.00 C ATOM 0 H ALA A 91 6.528 -6.971 -9.367 1.00 0.00 H new ATOM 0 HA ALA A 91 6.920 -4.522 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.770 -5.763 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.922 -5.940 -7.634 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.933 -7.268 -7.015 1.00 0.00 H new ATOM 1476 N PHE A 92 8.608 -7.159 -6.797 1.00 0.00 N ATOM 1477 CA PHE A 92 9.846 -7.501 -6.043 1.00 0.00 C ATOM 1478 C PHE A 92 11.067 -7.074 -6.860 1.00 0.00 C ATOM 1479 O PHE A 92 12.175 -7.030 -6.365 1.00 0.00 O ATOM 1480 CB PHE A 92 9.896 -9.009 -5.797 1.00 0.00 C ATOM 1481 CG PHE A 92 8.568 -9.474 -5.252 1.00 0.00 C ATOM 1482 CD1 PHE A 92 7.846 -8.657 -4.372 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.057 -10.722 -5.626 1.00 0.00 C ATOM 1484 CE1 PHE A 92 6.615 -9.089 -3.866 1.00 0.00 C ATOM 1485 CE2 PHE A 92 6.825 -11.154 -5.121 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.104 -10.338 -4.242 1.00 0.00 C ATOM 0 H PHE A 92 8.045 -7.955 -7.096 1.00 0.00 H new ATOM 0 HA PHE A 92 9.846 -6.981 -5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.123 -9.532 -6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 92 10.694 -9.247 -5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.240 -7.693 -4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.613 -11.352 -6.304 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.059 -8.460 -3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.431 -12.117 -5.410 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.153 -10.671 -3.853 1.00 0.00 H new ATOM 1496 N ARG A 93 10.872 -6.757 -8.112 1.00 0.00 N ATOM 1497 CA ARG A 93 12.018 -6.331 -8.962 1.00 0.00 C ATOM 1498 C ARG A 93 11.992 -4.811 -9.128 1.00 0.00 C ATOM 1499 O ARG A 93 10.944 -4.208 -9.249 1.00 0.00 O ATOM 1500 CB ARG A 93 11.905 -6.994 -10.336 1.00 0.00 C ATOM 1501 CG ARG A 93 12.640 -8.335 -10.320 1.00 0.00 C ATOM 1502 CD ARG A 93 12.513 -9.005 -11.689 1.00 0.00 C ATOM 1503 NE ARG A 93 12.925 -10.433 -11.584 1.00 0.00 N ATOM 1504 CZ ARG A 93 14.126 -10.792 -11.946 1.00 0.00 C ATOM 1505 NH1 ARG A 93 14.673 -10.266 -13.007 1.00 0.00 N ATOM 1506 NH2 ARG A 93 14.779 -11.679 -11.247 1.00 0.00 N ATOM 0 H ARG A 93 9.967 -6.775 -8.582 1.00 0.00 H new ATOM 0 HA ARG A 93 12.953 -6.629 -8.488 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.857 -7.145 -10.593 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.330 -6.344 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.691 -8.182 -10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.223 -8.981 -9.547 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.485 -8.937 -12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.137 -8.488 -12.418 1.00 0.00 H new ATOM 0 HE ARG A 93 12.269 -11.129 -11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.162 -9.574 -13.554 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.612 -10.547 -13.289 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.351 -12.091 -10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.718 -11.960 -11.529 1.00 0.00 H new ATOM 1520 N LYS A 94 13.137 -4.184 -9.135 1.00 0.00 N ATOM 1521 CA LYS A 94 13.174 -2.703 -9.294 1.00 0.00 C ATOM 1522 C LYS A 94 13.330 -2.352 -10.775 1.00 0.00 C ATOM 1523 O LYS A 94 14.157 -2.907 -11.470 1.00 0.00 O ATOM 1524 CB LYS A 94 14.359 -2.136 -8.508 1.00 0.00 C ATOM 1525 CG LYS A 94 13.920 -1.822 -7.075 1.00 0.00 C ATOM 1526 CD LYS A 94 14.910 -2.448 -6.091 1.00 0.00 C ATOM 1527 CE LYS A 94 14.714 -3.965 -6.065 1.00 0.00 C ATOM 1528 NZ LYS A 94 15.658 -4.573 -5.085 1.00 0.00 N ATOM 0 H LYS A 94 14.048 -4.633 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 94 12.247 -2.274 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.179 -2.854 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.731 -1.233 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.874 -0.743 -6.925 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.918 -2.211 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.932 -2.208 -6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 94 14.759 -2.034 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.686 -4.205 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.886 -4.381 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 15.524 -5.604 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.636 -4.355 -5.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.474 -4.184 -4.138 1.00 0.00 H new