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= -4.78! C(o=-7.5!,f=-8.5!) USER MOD Set 1.2: A 60 TYR OH : rot 113:sc= -2.69! USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 ASN : amide:sc= -9.53! C(o=-9.5!,f=-5.4!) USER MOD Set 3.1: A 18 SER OG : rot -116:sc= 0.986 USER MOD Set 3.2: A 32 HIS : no HE2:sc= -11.6! C(o=-11!,f=-13!) USER MOD Set 4.1: A 10 GLN : amide:sc= -7.3! C(o=-6.7!,f=-8.5!) USER MOD Set 4.2: A 94 LYS NZ :NH3+ -107:sc= 0.592 (180deg=0) USER MOD Set 5.1: A 8 TYR OH : rot 17:sc= 1.23 USER MOD Set 5.2: A 40 TYR OH : rot 130:sc= 1.08 USER MOD Set 6.1: A 6 TYR OH : rot 112:sc= 1.21 USER MOD Set 6.2: A 37 TYR OH : rot 91:sc= 2.05 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.218! X(o=-0.22!,f=0) USER MOD Single : A 17 SER OG : rot -70:sc= -2.13! USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -0.0376 K(o=-0.038,f=-2.8!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -82:sc= 0.836 USER MOD Single : A 34 THR OG1 : rot -100:sc= -2.72! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.12) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.149 K(o=-0.15,f=-1.3) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 53 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-2.7!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -159:sc= -0.0166 (180deg=-0.244) 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 ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.325 3.288 -6.162 1.00 0.00 N ATOM 80 CA TYR A 6 8.530 2.212 -6.813 1.00 0.00 C ATOM 81 C TYR A 6 7.588 2.844 -7.833 1.00 0.00 C ATOM 82 O TYR A 6 6.890 3.793 -7.536 1.00 0.00 O ATOM 83 CB TYR A 6 7.706 1.475 -5.758 1.00 0.00 C ATOM 84 CG TYR A 6 8.623 0.651 -4.891 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.587 -0.171 -5.482 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.507 0.705 -3.497 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.438 -0.938 -4.681 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.358 -0.062 -2.696 1.00 0.00 C ATOM 89 CZ TYR A 6 10.323 -0.886 -3.288 1.00 0.00 C ATOM 90 OH TYR A 6 11.162 -1.642 -2.498 1.00 0.00 O ATOM 0 HA TYR A 6 9.199 1.507 -7.307 1.00 0.00 H new ATOM 0 HB2 TYR A 6 7.155 2.190 -5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.969 0.833 -6.240 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.674 -0.213 -6.558 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.761 1.339 -3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.184 -1.571 -5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.271 -0.019 -1.620 1.00 0.00 H new ATOM 0 HH TYR A 6 11.765 -1.050 -2.001 1.00 0.00 H new ATOM 100 N SER A 7 7.546 2.330 -9.029 1.00 0.00 N ATOM 101 CA SER A 7 6.626 2.925 -10.034 1.00 0.00 C ATOM 102 C SER A 7 5.254 3.063 -9.384 1.00 0.00 C ATOM 103 O SER A 7 4.983 2.455 -8.368 1.00 0.00 O ATOM 104 CB SER A 7 6.529 2.020 -11.266 1.00 0.00 C ATOM 105 OG SER A 7 7.400 2.509 -12.278 1.00 0.00 O ATOM 0 H SER A 7 8.100 1.536 -9.351 1.00 0.00 H new ATOM 0 HA SER A 7 6.998 3.898 -10.356 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.798 0.997 -11.002 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.503 1.996 -11.634 1.00 0.00 H new ATOM 0 HG SER A 7 7.342 1.931 -13.067 1.00 0.00 H new ATOM 111 N TYR A 8 4.384 3.855 -9.941 1.00 0.00 N ATOM 112 CA TYR A 8 3.043 4.007 -9.318 1.00 0.00 C ATOM 113 C TYR A 8 2.112 2.926 -9.863 1.00 0.00 C ATOM 114 O TYR A 8 1.001 3.181 -10.285 1.00 0.00 O ATOM 115 CB TYR A 8 2.494 5.401 -9.607 1.00 0.00 C ATOM 116 CG TYR A 8 3.338 6.418 -8.875 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.753 6.166 -7.560 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.712 7.607 -9.510 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.539 7.103 -6.882 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.498 8.545 -8.831 1.00 0.00 C ATOM 121 CZ TYR A 8 4.911 8.293 -7.517 1.00 0.00 C ATOM 122 OH TYR A 8 5.688 9.218 -6.848 1.00 0.00 O ATOM 0 H TYR A 8 4.540 4.398 -10.790 1.00 0.00 H new ATOM 0 HA TYR A 8 3.118 3.891 -8.237 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.510 5.598 -10.679 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.455 5.471 -9.286 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.465 5.247 -7.070 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.394 7.801 -10.524 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.859 6.908 -5.869 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.786 9.463 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 8 6.110 8.792 -6.073 1.00 0.00 H new ATOM 132 N ALA A 9 2.578 1.712 -9.830 1.00 0.00 N ATOM 133 CA ALA A 9 1.780 0.552 -10.310 1.00 0.00 C ATOM 134 C ALA A 9 2.320 -0.689 -9.602 1.00 0.00 C ATOM 135 O ALA A 9 1.579 -1.530 -9.134 1.00 0.00 O ATOM 136 CB ALA A 9 1.935 0.402 -11.822 1.00 0.00 C ATOM 0 H ALA A 9 3.505 1.468 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 9 0.721 0.692 -10.092 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.348 -0.450 -12.165 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.583 1.308 -12.315 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.985 0.240 -12.066 1.00 0.00 H new ATOM 142 N GLN A 10 3.621 -0.776 -9.480 1.00 0.00 N ATOM 143 CA GLN A 10 4.238 -1.916 -8.758 1.00 0.00 C ATOM 144 C GLN A 10 4.277 -1.524 -7.288 1.00 0.00 C ATOM 145 O GLN A 10 4.185 -2.345 -6.399 1.00 0.00 O ATOM 146 CB GLN A 10 5.664 -2.159 -9.274 1.00 0.00 C ATOM 147 CG GLN A 10 6.559 -0.967 -8.930 1.00 0.00 C ATOM 148 CD GLN A 10 8.023 -1.410 -8.942 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.637 -1.493 -9.987 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.610 -1.703 -7.814 1.00 0.00 N ATOM 0 H GLN A 10 4.283 -0.097 -9.855 1.00 0.00 H new ATOM 0 HA GLN A 10 3.669 -2.833 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.070 -3.068 -8.830 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.647 -2.311 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.405 -0.163 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.295 -0.571 -7.949 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.094 -1.633 -6.937 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.585 -2.002 -7.809 1.00 0.00 H new ATOM 159 N LEU A 11 4.378 -0.246 -7.041 1.00 0.00 N ATOM 160 CA LEU A 11 4.386 0.258 -5.648 1.00 0.00 C ATOM 161 C LEU A 11 3.115 -0.248 -4.981 1.00 0.00 C ATOM 162 O LEU A 11 3.069 -0.513 -3.795 1.00 0.00 O ATOM 163 CB LEU A 11 4.388 1.787 -5.691 1.00 0.00 C ATOM 164 CG LEU A 11 4.092 2.357 -4.307 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.404 2.576 -3.565 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.370 3.694 -4.465 1.00 0.00 C ATOM 0 H LEU A 11 4.456 0.475 -7.758 1.00 0.00 H new ATOM 0 HA LEU A 11 5.261 -0.083 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.356 2.146 -6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.642 2.138 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 11 3.466 1.664 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.199 2.983 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.928 1.626 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.025 3.276 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.154 4.109 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.003 4.386 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.437 3.542 -5.007 1.00 0.00 H new ATOM 178 N ILE A 12 2.088 -0.397 -5.763 1.00 0.00 N ATOM 179 CA ILE A 12 0.792 -0.908 -5.232 1.00 0.00 C ATOM 180 C ILE A 12 0.896 -2.412 -5.036 1.00 0.00 C ATOM 181 O ILE A 12 0.563 -2.934 -4.006 1.00 0.00 O ATOM 182 CB ILE A 12 -0.308 -0.667 -6.245 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.104 0.663 -6.987 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.651 -0.672 -5.526 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.252 1.775 -6.003 1.00 0.00 C ATOM 0 H ILE A 12 2.088 -0.185 -6.761 1.00 0.00 H new ATOM 0 HA ILE A 12 0.571 -0.398 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.282 -1.463 -6.989 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.690 0.556 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.012 0.926 -7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.450 -0.499 -6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.801 -1.637 -5.042 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.664 0.117 -4.774 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.393 2.710 -6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.555 1.893 -5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.173 1.517 -5.480 1.00 0.00 H new ATOM 197 N VAL A 13 1.333 -3.104 -6.046 1.00 0.00 N ATOM 198 CA VAL A 13 1.445 -4.584 -5.962 1.00 0.00 C ATOM 199 C VAL A 13 2.176 -4.991 -4.682 1.00 0.00 C ATOM 200 O VAL A 13 1.643 -5.699 -3.855 1.00 0.00 O ATOM 201 CB VAL A 13 2.247 -5.077 -7.161 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.300 -6.602 -7.141 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.583 -4.596 -8.452 1.00 0.00 C ATOM 0 H VAL A 13 1.621 -2.702 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 13 0.446 -5.021 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 13 3.261 -4.681 -7.112 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.873 -6.957 -7.997 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.778 -6.937 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.287 -7.002 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.156 -4.948 -9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.568 -4.990 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.551 -3.507 -8.460 1.00 0.00 H new ATOM 213 N GLN A 14 3.388 -4.560 -4.500 1.00 0.00 N ATOM 214 CA GLN A 14 4.112 -4.946 -3.261 1.00 0.00 C ATOM 215 C GLN A 14 3.276 -4.515 -2.055 1.00 0.00 C ATOM 216 O GLN A 14 3.378 -5.063 -0.978 1.00 0.00 O ATOM 217 CB GLN A 14 5.469 -4.245 -3.225 1.00 0.00 C ATOM 218 CG GLN A 14 6.128 -4.470 -1.864 1.00 0.00 C ATOM 219 CD GLN A 14 7.387 -3.605 -1.753 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.991 -3.528 -0.702 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.816 -2.948 -2.798 1.00 0.00 N ATOM 0 H GLN A 14 3.905 -3.964 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 14 4.269 -6.024 -3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.110 -4.630 -4.018 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.343 -3.178 -3.407 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.430 -4.219 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.386 -5.522 -1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.311 -3.010 -3.682 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.656 -2.373 -2.729 1.00 0.00 H new ATOM 230 N ALA A 15 2.449 -3.529 -2.241 1.00 0.00 N ATOM 231 CA ALA A 15 1.590 -3.035 -1.129 1.00 0.00 C ATOM 232 C ALA A 15 0.511 -4.070 -0.780 1.00 0.00 C ATOM 233 O ALA A 15 0.398 -4.516 0.345 1.00 0.00 O ATOM 234 CB ALA A 15 0.904 -1.742 -1.579 1.00 0.00 C ATOM 0 H ALA A 15 2.329 -3.037 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 15 2.211 -2.861 -0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.271 -1.367 -0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.660 -0.995 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.293 -1.942 -2.459 1.00 0.00 H new ATOM 240 N ILE A 16 -0.295 -4.428 -1.738 1.00 0.00 N ATOM 241 CA ILE A 16 -1.396 -5.407 -1.487 1.00 0.00 C ATOM 242 C ILE A 16 -0.894 -6.842 -1.664 1.00 0.00 C ATOM 243 O ILE A 16 -1.058 -7.678 -0.799 1.00 0.00 O ATOM 244 CB ILE A 16 -2.576 -5.153 -2.446 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.191 -4.177 -3.569 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.723 -4.535 -1.656 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.447 -3.735 -4.308 1.00 0.00 C ATOM 0 H ILE A 16 -0.240 -4.082 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.735 -5.273 -0.460 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.862 -6.106 -2.892 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.677 -3.311 -3.153 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.498 -4.656 -4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.565 -4.350 -2.322 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.030 -5.219 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.395 -3.594 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.176 -3.043 -5.105 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.942 -4.606 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.123 -3.239 -3.612 1.00 0.00 H new ATOM 259 N SER A 17 -0.306 -7.137 -2.787 1.00 0.00 N ATOM 260 CA SER A 17 0.191 -8.523 -3.035 1.00 0.00 C ATOM 261 C SER A 17 1.213 -8.927 -1.965 1.00 0.00 C ATOM 262 O SER A 17 1.189 -10.034 -1.464 1.00 0.00 O ATOM 263 CB SER A 17 0.855 -8.586 -4.412 1.00 0.00 C ATOM 264 OG SER A 17 0.770 -9.913 -4.912 1.00 0.00 O ATOM 0 H SER A 17 -0.146 -6.478 -3.549 1.00 0.00 H new ATOM 0 HA SER A 17 -0.654 -9.210 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.365 -7.894 -5.097 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.898 -8.278 -4.340 1.00 0.00 H new ATOM 0 HG SER A 17 1.359 -10.497 -4.391 1.00 0.00 H new ATOM 270 N SER A 18 2.120 -8.052 -1.619 1.00 0.00 N ATOM 271 CA SER A 18 3.147 -8.414 -0.595 1.00 0.00 C ATOM 272 C SER A 18 2.544 -8.339 0.811 1.00 0.00 C ATOM 273 O SER A 18 3.203 -8.631 1.789 1.00 0.00 O ATOM 274 CB SER A 18 4.334 -7.449 -0.693 1.00 0.00 C ATOM 275 OG SER A 18 4.355 -6.599 0.448 1.00 0.00 O ATOM 0 H SER A 18 2.195 -7.108 -1.998 1.00 0.00 H new ATOM 0 HA SER A 18 3.486 -9.433 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.267 -8.009 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.256 -6.852 -1.602 1.00 0.00 H new ATOM 0 HG SER A 18 4.215 -5.671 0.167 1.00 0.00 H new ATOM 281 N ALA A 19 1.303 -7.959 0.926 1.00 0.00 N ATOM 282 CA ALA A 19 0.682 -7.880 2.277 1.00 0.00 C ATOM 283 C ALA A 19 -0.198 -9.108 2.496 1.00 0.00 C ATOM 284 O ALA A 19 -0.731 -9.668 1.559 1.00 0.00 O ATOM 285 CB ALA A 19 -0.173 -6.614 2.375 1.00 0.00 C ATOM 0 H ALA A 19 0.695 -7.701 0.149 1.00 0.00 H new ATOM 0 HA ALA A 19 1.462 -7.847 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.627 -6.557 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.455 -5.738 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.956 -6.644 1.618 1.00 0.00 H new ATOM 291 N GLN A 20 -0.355 -9.533 3.723 1.00 0.00 N ATOM 292 CA GLN A 20 -1.207 -10.725 3.990 1.00 0.00 C ATOM 293 C GLN A 20 -2.472 -10.621 3.141 1.00 0.00 C ATOM 294 O GLN A 20 -2.825 -11.527 2.411 1.00 0.00 O ATOM 295 CB GLN A 20 -1.586 -10.765 5.472 1.00 0.00 C ATOM 296 CG GLN A 20 -2.179 -12.135 5.813 1.00 0.00 C ATOM 297 CD GLN A 20 -1.469 -12.709 7.040 1.00 0.00 C ATOM 298 OE1 GLN A 20 -1.944 -12.574 8.150 1.00 0.00 O ATOM 299 NE2 GLN A 20 -0.342 -13.349 6.885 1.00 0.00 N ATOM 0 H GLN A 20 0.069 -9.107 4.547 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.662 -11.635 3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.707 -10.574 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.308 -9.979 5.695 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.247 -12.042 6.009 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.068 -12.812 4.966 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.056 -13.462 5.953 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.140 -13.736 7.696 1.00 0.00 H new ATOM 308 N ASP A 21 -3.147 -9.509 3.218 1.00 0.00 N ATOM 309 CA ASP A 21 -4.378 -9.323 2.407 1.00 0.00 C ATOM 310 C ASP A 21 -4.005 -8.674 1.067 1.00 0.00 C ATOM 311 O ASP A 21 -3.402 -7.619 1.028 1.00 0.00 O ATOM 312 CB ASP A 21 -5.348 -8.413 3.164 1.00 0.00 C ATOM 313 CG ASP A 21 -5.527 -8.936 4.591 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.057 -10.025 4.740 1.00 0.00 O ATOM 315 OD2 ASP A 21 -5.131 -8.239 5.511 1.00 0.00 O ATOM 0 H ASP A 21 -2.896 -8.718 3.811 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.851 -10.288 2.226 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.966 -7.392 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.310 -8.383 2.653 1.00 0.00 H new ATOM 320 N ARG A 22 -4.360 -9.288 -0.033 1.00 0.00 N ATOM 321 CA ARG A 22 -4.029 -8.700 -1.364 1.00 0.00 C ATOM 322 C ARG A 22 -4.906 -7.468 -1.621 1.00 0.00 C ATOM 323 O ARG A 22 -4.824 -6.844 -2.661 1.00 0.00 O ATOM 324 CB ARG A 22 -4.284 -9.740 -2.459 1.00 0.00 C ATOM 325 CG ARG A 22 -3.806 -11.115 -1.984 1.00 0.00 C ATOM 326 CD ARG A 22 -4.968 -12.108 -2.047 1.00 0.00 C ATOM 327 NE ARG A 22 -4.769 -13.168 -1.020 1.00 0.00 N ATOM 328 CZ ARG A 22 -5.517 -14.237 -1.032 1.00 0.00 C ATOM 329 NH1 ARG A 22 -6.616 -14.254 -1.735 1.00 0.00 N ATOM 330 NH2 ARG A 22 -5.165 -15.288 -0.344 1.00 0.00 N ATOM 0 H ARG A 22 -4.866 -10.173 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 22 -2.980 -8.405 -1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.347 -9.776 -2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.760 -9.457 -3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.983 -11.462 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.426 -11.048 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.912 -11.591 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.026 -12.554 -3.040 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.048 -13.058 -0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.889 -13.432 -2.274 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -7.202 -15.089 -1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.305 -15.274 0.204 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.750 -16.123 -0.354 1.00 0.00 H new ATOM 344 N GLN A 23 -5.745 -7.112 -0.686 1.00 0.00 N ATOM 345 CA GLN A 23 -6.617 -5.922 -0.878 1.00 0.00 C ATOM 346 C GLN A 23 -6.190 -4.823 0.097 1.00 0.00 C ATOM 347 O GLN A 23 -5.801 -5.090 1.216 1.00 0.00 O ATOM 348 CB GLN A 23 -8.073 -6.306 -0.608 1.00 0.00 C ATOM 349 CG GLN A 23 -8.177 -6.983 0.760 1.00 0.00 C ATOM 350 CD GLN A 23 -9.645 -7.069 1.180 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.497 -7.417 0.386 1.00 0.00 O ATOM 352 NE2 GLN A 23 -9.981 -6.764 2.403 1.00 0.00 N ATOM 0 H GLN A 23 -5.863 -7.596 0.204 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.523 -5.561 -1.902 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.705 -5.419 -0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.433 -6.978 -1.387 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.742 -7.981 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.609 -6.419 1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.267 -6.472 3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.958 -6.818 2.692 1.00 0.00 H new ATOM 361 N LEU A 24 -6.255 -3.589 -0.320 1.00 0.00 N ATOM 362 CA LEU A 24 -5.851 -2.477 0.576 1.00 0.00 C ATOM 363 C LEU A 24 -6.844 -1.331 0.432 1.00 0.00 C ATOM 364 O LEU A 24 -7.456 -1.155 -0.603 1.00 0.00 O ATOM 365 CB LEU A 24 -4.472 -1.962 0.163 1.00 0.00 C ATOM 366 CG LEU A 24 -3.377 -2.793 0.830 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.010 -2.308 0.339 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.461 -2.626 2.349 1.00 0.00 C ATOM 0 H LEU A 24 -6.572 -3.305 -1.247 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.827 -2.838 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.367 -2.011 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.367 -0.915 0.446 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.508 -3.845 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.224 -2.897 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.950 -2.424 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.882 -1.257 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.680 -3.219 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.327 -1.576 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.436 -2.964 2.699 1.00 0.00 H new ATOM 380 N THR A 25 -6.983 -0.525 1.443 1.00 0.00 N ATOM 381 CA THR A 25 -7.907 0.627 1.327 1.00 0.00 C ATOM 382 C THR A 25 -7.176 1.706 0.536 1.00 0.00 C ATOM 383 O THR A 25 -6.001 1.580 0.258 1.00 0.00 O ATOM 384 CB THR A 25 -8.268 1.152 2.719 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.084 1.556 3.392 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.962 0.048 3.518 1.00 0.00 C ATOM 0 H THR A 25 -6.500 -0.614 2.337 1.00 0.00 H new ATOM 0 HA THR A 25 -8.831 0.336 0.828 1.00 0.00 H new ATOM 0 HB THR A 25 -8.940 2.005 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.313 1.894 4.283 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.219 0.423 4.509 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.870 -0.260 3.000 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.292 -0.807 3.615 1.00 0.00 H new ATOM 394 N LEU A 26 -7.836 2.756 0.156 1.00 0.00 N ATOM 395 CA LEU A 26 -7.120 3.802 -0.627 1.00 0.00 C ATOM 396 C LEU A 26 -5.937 4.323 0.193 1.00 0.00 C ATOM 397 O LEU A 26 -4.870 4.563 -0.331 1.00 0.00 O ATOM 398 CB LEU A 26 -8.059 4.963 -0.976 1.00 0.00 C ATOM 399 CG LEU A 26 -8.364 4.923 -2.474 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.297 6.080 -2.838 1.00 0.00 C ATOM 401 CD2 LEU A 26 -7.060 5.058 -3.260 1.00 0.00 C ATOM 0 H LEU A 26 -8.821 2.938 0.346 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.763 3.361 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.982 4.886 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.597 5.914 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.845 3.977 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.514 6.051 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.227 5.988 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.816 7.027 -2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.275 5.030 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.581 6.005 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.393 4.235 -3.002 1.00 0.00 H new ATOM 413 N SER A 27 -6.116 4.496 1.475 1.00 0.00 N ATOM 414 CA SER A 27 -4.997 5.002 2.323 1.00 0.00 C ATOM 415 C SER A 27 -4.315 3.837 3.047 1.00 0.00 C ATOM 416 O SER A 27 -3.779 3.997 4.125 1.00 0.00 O ATOM 417 CB SER A 27 -5.549 5.979 3.357 1.00 0.00 C ATOM 418 OG SER A 27 -5.808 7.229 2.732 1.00 0.00 O ATOM 0 H SER A 27 -6.987 4.309 1.972 1.00 0.00 H new ATOM 0 HA SER A 27 -4.268 5.504 1.687 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.464 5.583 3.796 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.835 6.107 4.170 1.00 0.00 H new ATOM 0 HG SER A 27 -6.164 7.858 3.394 1.00 0.00 H new ATOM 424 N GLY A 28 -4.322 2.671 2.464 1.00 0.00 N ATOM 425 CA GLY A 28 -3.661 1.506 3.122 1.00 0.00 C ATOM 426 C GLY A 28 -2.314 1.274 2.452 1.00 0.00 C ATOM 427 O GLY A 28 -1.299 1.068 3.088 1.00 0.00 O ATOM 0 H GLY A 28 -4.755 2.473 1.562 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.527 1.698 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.286 0.617 3.035 1.00 0.00 H new ATOM 431 N ILE A 29 -2.321 1.307 1.155 1.00 0.00 N ATOM 432 CA ILE A 29 -1.086 1.095 0.367 1.00 0.00 C ATOM 433 C ILE A 29 -0.002 2.071 0.803 1.00 0.00 C ATOM 434 O ILE A 29 1.171 1.758 0.814 1.00 0.00 O ATOM 435 CB ILE A 29 -1.426 1.360 -1.082 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.180 1.108 -1.942 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.911 2.805 -1.225 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.081 2.156 -3.047 1.00 0.00 C ATOM 0 H ILE A 29 -3.156 1.477 0.594 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.719 0.080 0.515 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.220 0.693 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.714 1.141 -1.319 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.227 0.111 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.158 3.004 -2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.796 2.954 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.124 3.487 -0.902 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.807 1.966 -3.650 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.967 2.103 -3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.012 3.149 -2.602 1.00 0.00 H new ATOM 450 N TYR A 30 -0.391 3.257 1.142 1.00 0.00 N ATOM 451 CA TYR A 30 0.607 4.277 1.559 1.00 0.00 C ATOM 452 C TYR A 30 1.260 3.845 2.868 1.00 0.00 C ATOM 453 O TYR A 30 2.467 3.853 3.005 1.00 0.00 O ATOM 454 CB TYR A 30 -0.103 5.616 1.748 1.00 0.00 C ATOM 455 CG TYR A 30 -1.023 5.832 0.575 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.581 5.536 -0.716 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.322 6.304 0.775 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.435 5.709 -1.809 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.178 6.481 -0.318 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.734 6.182 -1.611 1.00 0.00 C ATOM 461 OH TYR A 30 -3.579 6.353 -2.689 1.00 0.00 O ATOM 0 H TYR A 30 -1.361 3.571 1.150 1.00 0.00 H new ATOM 0 HA TYR A 30 1.378 4.378 0.795 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.669 5.618 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.624 6.425 1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.424 5.172 -0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.666 6.532 1.773 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.090 5.477 -2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.182 6.849 -0.164 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.394 7.216 -3.116 1.00 0.00 H new ATOM 471 N ALA A 31 0.476 3.455 3.826 1.00 0.00 N ATOM 472 CA ALA A 31 1.059 3.006 5.119 1.00 0.00 C ATOM 473 C ALA A 31 1.804 1.684 4.903 1.00 0.00 C ATOM 474 O ALA A 31 2.588 1.262 5.727 1.00 0.00 O ATOM 475 CB ALA A 31 -0.059 2.803 6.143 1.00 0.00 C ATOM 0 H ALA A 31 -0.542 3.427 3.773 1.00 0.00 H new ATOM 0 HA ALA A 31 1.752 3.761 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.370 2.474 7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.590 3.743 6.293 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.754 2.047 5.778 1.00 0.00 H new ATOM 481 N HIS A 32 1.561 1.026 3.797 1.00 0.00 N ATOM 482 CA HIS A 32 2.252 -0.268 3.530 1.00 0.00 C ATOM 483 C HIS A 32 3.692 -0.007 3.073 1.00 0.00 C ATOM 484 O HIS A 32 4.641 -0.385 3.731 1.00 0.00 O ATOM 485 CB HIS A 32 1.493 -1.023 2.436 1.00 0.00 C ATOM 486 CG HIS A 32 2.202 -2.314 2.133 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.575 -3.546 2.245 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.486 -2.584 1.727 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.474 -4.490 1.915 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.656 -3.959 1.591 1.00 0.00 N ATOM 0 H HIS A 32 0.914 1.330 3.069 1.00 0.00 H new ATOM 0 HA HIS A 32 2.274 -0.864 4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.472 -1.224 2.760 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.428 -0.412 1.536 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.608 -3.707 2.526 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.248 -1.842 1.541 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.265 -5.550 1.912 1.00 0.00 H new ATOM 498 N ILE A 33 3.860 0.631 1.946 1.00 0.00 N ATOM 499 CA ILE A 33 5.235 0.917 1.433 1.00 0.00 C ATOM 500 C ILE A 33 6.008 1.765 2.441 1.00 0.00 C ATOM 501 O ILE A 33 7.209 1.652 2.569 1.00 0.00 O ATOM 502 CB ILE A 33 5.133 1.697 0.128 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.337 2.980 0.367 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.435 0.843 -0.932 1.00 0.00 C ATOM 505 CD1 ILE A 33 5.315 4.138 0.580 1.00 0.00 C ATOM 0 H ILE A 33 3.101 0.969 1.354 1.00 0.00 H new ATOM 0 HA ILE A 33 5.754 -0.029 1.275 1.00 0.00 H new ATOM 0 HB ILE A 33 6.133 1.951 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.689 3.186 -0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.692 2.867 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.364 1.405 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.009 -0.068 -1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.434 0.583 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.757 5.059 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.944 3.928 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.941 4.253 -0.305 1.00 0.00 H new ATOM 517 N THR A 34 5.331 2.629 3.136 1.00 0.00 N ATOM 518 CA THR A 34 6.024 3.510 4.119 1.00 0.00 C ATOM 519 C THR A 34 6.781 2.660 5.144 1.00 0.00 C ATOM 520 O THR A 34 7.740 3.107 5.741 1.00 0.00 O ATOM 521 CB THR A 34 4.991 4.375 4.843 1.00 0.00 C ATOM 522 OG1 THR A 34 3.768 3.661 4.943 1.00 0.00 O ATOM 523 CG2 THR A 34 4.768 5.669 4.061 1.00 0.00 C ATOM 0 H THR A 34 4.323 2.766 3.068 1.00 0.00 H new ATOM 0 HA THR A 34 6.733 4.147 3.589 1.00 0.00 H new ATOM 0 HB THR A 34 5.354 4.617 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.153 3.966 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.032 6.284 4.578 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.708 6.215 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.405 5.432 3.061 1.00 0.00 H new ATOM 531 N LYS A 35 6.367 1.442 5.350 1.00 0.00 N ATOM 532 CA LYS A 35 7.078 0.578 6.334 1.00 0.00 C ATOM 533 C LYS A 35 8.547 0.455 5.926 1.00 0.00 C ATOM 534 O LYS A 35 9.440 0.548 6.745 1.00 0.00 O ATOM 535 CB LYS A 35 6.440 -0.813 6.357 1.00 0.00 C ATOM 536 CG LYS A 35 7.142 -1.676 7.407 1.00 0.00 C ATOM 537 CD LYS A 35 6.454 -1.495 8.761 1.00 0.00 C ATOM 538 CE LYS A 35 7.287 -2.170 9.852 1.00 0.00 C ATOM 539 NZ LYS A 35 6.593 -2.035 11.164 1.00 0.00 N ATOM 0 H LYS A 35 5.571 1.008 4.883 1.00 0.00 H new ATOM 0 HA LYS A 35 7.006 1.023 7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.377 -0.734 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.520 -1.278 5.375 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.113 -2.724 7.110 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.193 -1.395 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.337 -0.434 8.982 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.454 -1.927 8.733 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.433 -3.223 9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.276 -1.714 9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.160 -2.494 11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.475 -1.027 11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.659 -2.489 11.111 1.00 0.00 H new ATOM 553 N HIS A 36 8.803 0.248 4.664 1.00 0.00 N ATOM 554 CA HIS A 36 10.213 0.120 4.200 1.00 0.00 C ATOM 555 C HIS A 36 10.649 1.422 3.524 1.00 0.00 C ATOM 556 O HIS A 36 11.788 1.576 3.131 1.00 0.00 O ATOM 557 CB HIS A 36 10.317 -1.031 3.197 1.00 0.00 C ATOM 558 CG HIS A 36 9.513 -2.201 3.692 1.00 0.00 C ATOM 559 ND1 HIS A 36 10.103 -3.293 4.307 1.00 0.00 N ATOM 560 CD2 HIS A 36 8.165 -2.462 3.673 1.00 0.00 C ATOM 561 CE1 HIS A 36 9.122 -4.155 4.630 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.921 -3.697 4.265 1.00 0.00 N ATOM 0 H HIS A 36 8.096 0.162 3.934 1.00 0.00 H new ATOM 0 HA HIS A 36 10.859 -0.081 5.055 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.951 -0.711 2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.360 -1.321 3.067 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.410 -1.809 3.262 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.285 -5.101 5.124 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.019 -4.155 4.393 1.00 0.00 H new ATOM 570 N TYR A 37 9.753 2.360 3.386 1.00 0.00 N ATOM 571 CA TYR A 37 10.115 3.645 2.739 1.00 0.00 C ATOM 572 C TYR A 37 9.633 4.796 3.627 1.00 0.00 C ATOM 573 O TYR A 37 8.503 5.227 3.523 1.00 0.00 O ATOM 574 CB TYR A 37 9.445 3.718 1.362 1.00 0.00 C ATOM 575 CG TYR A 37 10.240 2.899 0.380 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.328 1.513 0.546 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.887 3.519 -0.693 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.064 0.745 -0.361 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.623 2.752 -1.603 1.00 0.00 C ATOM 580 CZ TYR A 37 11.712 1.364 -1.438 1.00 0.00 C ATOM 581 OH TYR A 37 12.439 0.608 -2.334 1.00 0.00 O ATOM 0 H TYR A 37 8.784 2.288 3.696 1.00 0.00 H new ATOM 0 HA TYR A 37 11.195 3.718 2.611 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.423 3.345 1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.387 4.754 1.027 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.827 1.036 1.375 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.819 4.589 -0.820 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.133 -0.325 -0.232 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.122 3.230 -2.433 1.00 0.00 H new ATOM 0 HH TYR A 37 11.860 0.333 -3.075 1.00 0.00 H new ATOM 591 N PRO A 38 10.510 5.252 4.487 1.00 0.00 N ATOM 592 CA PRO A 38 10.205 6.346 5.426 1.00 0.00 C ATOM 593 C PRO A 38 10.188 7.685 4.692 1.00 0.00 C ATOM 594 O PRO A 38 9.557 8.631 5.120 1.00 0.00 O ATOM 595 CB PRO A 38 11.348 6.282 6.442 1.00 0.00 C ATOM 596 CG PRO A 38 12.514 5.546 5.741 1.00 0.00 C ATOM 597 CD PRO A 38 11.888 4.728 4.595 1.00 0.00 C ATOM 0 HA PRO A 38 9.227 6.250 5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.650 7.283 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.038 5.751 7.342 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.246 6.256 5.356 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.039 4.895 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.439 4.861 3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 38 11.892 3.661 4.819 1.00 0.00 H new ATOM 605 N TYR A 39 10.865 7.771 3.583 1.00 0.00 N ATOM 606 CA TYR A 39 10.868 9.046 2.823 1.00 0.00 C ATOM 607 C TYR A 39 9.461 9.287 2.271 1.00 0.00 C ATOM 608 O TYR A 39 9.092 10.396 1.942 1.00 0.00 O ATOM 609 CB TYR A 39 11.866 8.951 1.666 1.00 0.00 C ATOM 610 CG TYR A 39 11.758 10.189 0.806 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.696 11.452 1.406 1.00 0.00 C ATOM 612 CD2 TYR A 39 11.717 10.073 -0.588 1.00 0.00 C ATOM 613 CE1 TYR A 39 11.592 12.600 0.612 1.00 0.00 C ATOM 614 CE2 TYR A 39 11.615 11.222 -1.383 1.00 0.00 C ATOM 615 CZ TYR A 39 11.551 12.484 -0.782 1.00 0.00 C ATOM 616 OH TYR A 39 11.447 13.617 -1.564 1.00 0.00 O ATOM 0 H TYR A 39 11.414 7.016 3.172 1.00 0.00 H new ATOM 0 HA TYR A 39 11.159 9.870 3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.880 8.851 2.053 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.664 8.062 1.069 1.00 0.00 H new ATOM 0 HD1 TYR A 39 11.728 11.541 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.764 9.098 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.543 13.575 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 39 11.586 11.134 -2.459 1.00 0.00 H new ATOM 0 HH TYR A 39 11.432 13.361 -2.510 1.00 0.00 H new ATOM 626 N TYR A 40 8.675 8.247 2.174 1.00 0.00 N ATOM 627 CA TYR A 40 7.291 8.403 1.648 1.00 0.00 C ATOM 628 C TYR A 40 6.328 8.681 2.801 1.00 0.00 C ATOM 629 O TYR A 40 5.330 8.008 2.969 1.00 0.00 O ATOM 630 CB TYR A 40 6.873 7.119 0.924 1.00 0.00 C ATOM 631 CG TYR A 40 6.854 7.376 -0.561 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.737 8.309 -1.115 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.951 6.693 -1.383 1.00 0.00 C ATOM 634 CE1 TYR A 40 7.719 8.563 -2.488 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.930 6.948 -2.760 1.00 0.00 C ATOM 636 CZ TYR A 40 6.814 7.882 -3.312 1.00 0.00 C ATOM 637 OH TYR A 40 6.790 8.134 -4.668 1.00 0.00 O ATOM 0 H TYR A 40 8.934 7.296 2.437 1.00 0.00 H new ATOM 0 HA TYR A 40 7.262 9.239 0.950 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.568 6.312 1.157 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.888 6.799 1.263 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.434 8.834 -0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.271 5.970 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.402 9.283 -2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.232 6.424 -3.396 1.00 0.00 H new ATOM 0 HH TYR A 40 6.826 7.287 -5.159 1.00 0.00 H new ATOM 647 N ARG A 41 6.617 9.674 3.595 1.00 0.00 N ATOM 648 CA ARG A 41 5.718 10.003 4.736 1.00 0.00 C ATOM 649 C ARG A 41 5.645 11.522 4.909 1.00 0.00 C ATOM 650 O ARG A 41 4.612 12.069 5.239 1.00 0.00 O ATOM 651 CB ARG A 41 6.262 9.366 6.014 1.00 0.00 C ATOM 652 CG ARG A 41 5.305 8.267 6.481 1.00 0.00 C ATOM 653 CD ARG A 41 5.559 7.959 7.957 1.00 0.00 C ATOM 654 NE ARG A 41 4.361 7.287 8.534 1.00 0.00 N ATOM 655 CZ ARG A 41 3.802 6.292 7.899 1.00 0.00 C ATOM 656 NH1 ARG A 41 4.361 5.115 7.912 1.00 0.00 N ATOM 657 NH2 ARG A 41 2.684 6.476 7.253 1.00 0.00 N ATOM 0 H ARG A 41 7.438 10.273 3.503 1.00 0.00 H new ATOM 0 HA ARG A 41 4.720 9.615 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.252 8.948 5.832 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.373 10.122 6.792 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.272 8.585 6.338 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.448 7.368 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.435 7.318 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.771 8.879 8.501 1.00 0.00 H new ATOM 0 HE ARG A 41 3.978 7.604 9.425 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.235 4.971 8.418 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.925 4.338 7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.246 7.397 7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.248 5.699 6.757 1.00 0.00 H new ATOM 671 N THR A 42 6.732 12.209 4.688 1.00 0.00 N ATOM 672 CA THR A 42 6.722 13.691 4.840 1.00 0.00 C ATOM 673 C THR A 42 7.265 14.334 3.561 1.00 0.00 C ATOM 674 O THR A 42 8.105 15.211 3.604 1.00 0.00 O ATOM 675 CB THR A 42 7.606 14.085 6.024 1.00 0.00 C ATOM 676 OG1 THR A 42 8.817 13.342 5.976 1.00 0.00 O ATOM 677 CG2 THR A 42 6.873 13.787 7.333 1.00 0.00 C ATOM 0 H THR A 42 7.627 11.808 4.409 1.00 0.00 H new ATOM 0 HA THR A 42 5.703 14.035 5.017 1.00 0.00 H new ATOM 0 HB THR A 42 7.830 15.150 5.972 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.386 13.594 6.733 1.00 0.00 H new ATOM 0 HG21 THR A 42 7.504 14.068 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.945 14.358 7.368 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.647 12.722 7.389 1.00 0.00 H new ATOM 685 N ALA A 43 6.795 13.904 2.424 1.00 0.00 N ATOM 686 CA ALA A 43 7.288 14.489 1.145 1.00 0.00 C ATOM 687 C ALA A 43 6.174 15.310 0.496 1.00 0.00 C ATOM 688 O ALA A 43 6.059 16.500 0.713 1.00 0.00 O ATOM 689 CB ALA A 43 7.710 13.362 0.200 1.00 0.00 C ATOM 0 H ALA A 43 6.091 13.173 2.324 1.00 0.00 H new ATOM 0 HA ALA A 43 8.143 15.135 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.071 13.788 -0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.505 12.777 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.855 12.716 -0.001 1.00 0.00 H new ATOM 695 N ASP A 44 5.351 14.684 -0.300 1.00 0.00 N ATOM 696 CA ASP A 44 4.245 15.429 -0.964 1.00 0.00 C ATOM 697 C ASP A 44 3.087 14.471 -1.247 1.00 0.00 C ATOM 698 O ASP A 44 3.251 13.266 -1.249 1.00 0.00 O ATOM 699 CB ASP A 44 4.750 16.027 -2.279 1.00 0.00 C ATOM 700 CG ASP A 44 6.094 16.716 -2.041 1.00 0.00 C ATOM 701 OD1 ASP A 44 6.099 17.765 -1.418 1.00 0.00 O ATOM 702 OD2 ASP A 44 7.098 16.182 -2.485 1.00 0.00 O ATOM 0 H ASP A 44 5.397 13.689 -0.519 1.00 0.00 H new ATOM 0 HA ASP A 44 3.901 16.231 -0.311 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.858 15.244 -3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.026 16.743 -2.668 1.00 0.00 H new ATOM 707 N LYS A 45 1.917 14.994 -1.485 1.00 0.00 N ATOM 708 CA LYS A 45 0.752 14.110 -1.764 1.00 0.00 C ATOM 709 C LYS A 45 0.665 13.833 -3.266 1.00 0.00 C ATOM 710 O LYS A 45 -0.405 13.802 -3.840 1.00 0.00 O ATOM 711 CB LYS A 45 -0.531 14.795 -1.293 1.00 0.00 C ATOM 712 CG LYS A 45 -0.566 14.815 0.237 1.00 0.00 C ATOM 713 CD LYS A 45 -1.565 15.871 0.713 1.00 0.00 C ATOM 714 CE LYS A 45 -2.215 15.411 2.018 1.00 0.00 C ATOM 715 NZ LYS A 45 -3.523 16.103 2.196 1.00 0.00 N ATOM 0 H LYS A 45 1.717 15.994 -1.498 1.00 0.00 H new ATOM 0 HA LYS A 45 0.876 13.167 -1.231 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.577 15.812 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.402 14.266 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.850 13.834 0.617 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.426 15.035 0.631 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.058 16.824 0.864 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.328 16.033 -0.048 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.363 14.331 2.002 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.559 15.630 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.964 15.789 3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.370 17.131 2.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.149 15.872 1.398 1.00 0.00 H new ATOM 729 N GLY A 46 1.785 13.626 -3.907 1.00 0.00 N ATOM 730 CA GLY A 46 1.763 13.345 -5.372 1.00 0.00 C ATOM 731 C GLY A 46 1.286 11.911 -5.601 1.00 0.00 C ATOM 732 O GLY A 46 0.218 11.677 -6.130 1.00 0.00 O ATOM 0 H GLY A 46 2.712 13.639 -3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.101 14.047 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.758 13.482 -5.796 1.00 0.00 H new ATOM 736 N TRP A 47 2.072 10.946 -5.202 1.00 0.00 N ATOM 737 CA TRP A 47 1.667 9.523 -5.394 1.00 0.00 C ATOM 738 C TRP A 47 0.401 9.217 -4.588 1.00 0.00 C ATOM 739 O TRP A 47 -0.166 8.151 -4.701 1.00 0.00 O ATOM 740 CB TRP A 47 2.797 8.588 -4.954 1.00 0.00 C ATOM 741 CG TRP A 47 2.984 8.635 -3.467 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.288 9.744 -2.748 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.908 7.538 -2.507 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.413 9.395 -1.418 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.187 8.050 -1.217 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.627 6.160 -2.625 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.196 7.234 -0.090 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.636 5.337 -1.489 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.921 5.874 -0.225 1.00 0.00 C ATOM 0 H TRP A 47 2.977 11.082 -4.751 1.00 0.00 H new ATOM 0 HA TRP A 47 1.462 9.362 -6.452 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.571 7.568 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.725 8.874 -5.450 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.412 10.739 -3.150 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.645 10.053 -0.674 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.404 5.737 -3.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.414 7.651 0.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.422 4.283 -1.588 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.927 5.233 0.644 1.00 0.00 H new ATOM 760 N GLN A 48 -0.055 10.135 -3.783 1.00 0.00 N ATOM 761 CA GLN A 48 -1.293 9.875 -3.000 1.00 0.00 C ATOM 762 C GLN A 48 -2.466 9.726 -3.975 1.00 0.00 C ATOM 763 O GLN A 48 -3.080 8.681 -4.067 1.00 0.00 O ATOM 764 CB GLN A 48 -1.551 11.050 -2.055 1.00 0.00 C ATOM 765 CG GLN A 48 -1.518 10.558 -0.607 1.00 0.00 C ATOM 766 CD GLN A 48 -0.171 9.892 -0.326 1.00 0.00 C ATOM 767 OE1 GLN A 48 0.857 10.541 -0.343 1.00 0.00 O ATOM 768 NE2 GLN A 48 -0.131 8.614 -0.069 1.00 0.00 N ATOM 0 H GLN A 48 0.373 11.049 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.183 8.963 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.797 11.823 -2.205 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.518 11.501 -2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.672 11.393 0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.329 9.851 -0.433 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.993 8.069 -0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.763 8.159 0.118 1.00 0.00 H new ATOM 777 N ASN A 49 -2.771 10.761 -4.713 1.00 0.00 N ATOM 778 CA ASN A 49 -3.892 10.681 -5.696 1.00 0.00 C ATOM 779 C ASN A 49 -3.466 9.803 -6.871 1.00 0.00 C ATOM 780 O ASN A 49 -4.268 9.114 -7.466 1.00 0.00 O ATOM 781 CB ASN A 49 -4.231 12.086 -6.199 1.00 0.00 C ATOM 782 CG ASN A 49 -4.736 12.940 -5.035 1.00 0.00 C ATOM 783 OD1 ASN A 49 -5.387 12.442 -4.137 1.00 0.00 O ATOM 784 ND2 ASN A 49 -4.460 14.216 -5.011 1.00 0.00 N ATOM 0 H ASN A 49 -2.291 11.660 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.771 10.249 -5.218 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.349 12.546 -6.645 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.991 12.031 -6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.791 14.795 -4.239 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.914 14.634 -5.764 1.00 0.00 H new ATOM 791 N SER A 50 -2.206 9.818 -7.208 1.00 0.00 N ATOM 792 CA SER A 50 -1.732 8.978 -8.341 1.00 0.00 C ATOM 793 C SER A 50 -2.090 7.516 -8.069 1.00 0.00 C ATOM 794 O SER A 50 -2.565 6.816 -8.935 1.00 0.00 O ATOM 795 CB SER A 50 -0.214 9.115 -8.480 1.00 0.00 C ATOM 796 OG SER A 50 0.165 8.817 -9.817 1.00 0.00 O ATOM 0 H SER A 50 -1.486 10.375 -6.748 1.00 0.00 H new ATOM 0 HA SER A 50 -2.210 9.306 -9.264 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.097 10.127 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.288 8.439 -7.788 1.00 0.00 H new ATOM 0 HG SER A 50 1.137 8.906 -9.909 1.00 0.00 H new ATOM 802 N ILE A 51 -1.868 7.060 -6.866 1.00 0.00 N ATOM 803 CA ILE A 51 -2.194 5.644 -6.517 1.00 0.00 C ATOM 804 C ILE A 51 -3.696 5.423 -6.681 1.00 0.00 C ATOM 805 O ILE A 51 -4.127 4.494 -7.324 1.00 0.00 O ATOM 806 CB ILE A 51 -1.771 5.378 -5.056 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.275 5.016 -4.974 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.582 4.214 -4.475 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.465 5.425 -6.249 1.00 0.00 C ATOM 0 H ILE A 51 -1.472 7.610 -6.104 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.660 4.959 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.957 6.289 -4.486 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.175 5.512 -4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.166 3.943 -4.816 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.275 4.035 -3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.643 4.462 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.405 3.316 -5.067 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.518 5.157 -6.161 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.029 4.908 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.376 6.502 -6.392 1.00 0.00 H new ATOM 821 N ARG A 52 -4.491 6.274 -6.101 1.00 0.00 N ATOM 822 CA ARG A 52 -5.970 6.122 -6.215 1.00 0.00 C ATOM 823 C ARG A 52 -6.352 5.918 -7.682 1.00 0.00 C ATOM 824 O ARG A 52 -7.125 5.044 -8.022 1.00 0.00 O ATOM 825 CB ARG A 52 -6.640 7.395 -5.691 1.00 0.00 C ATOM 826 CG ARG A 52 -8.150 7.314 -5.913 1.00 0.00 C ATOM 827 CD ARG A 52 -8.729 8.729 -5.975 1.00 0.00 C ATOM 828 NE ARG A 52 -10.166 8.662 -6.362 1.00 0.00 N ATOM 829 CZ ARG A 52 -11.081 8.511 -5.445 1.00 0.00 C ATOM 830 NH1 ARG A 52 -11.101 9.302 -4.406 1.00 0.00 N ATOM 831 NH2 ARG A 52 -11.977 7.570 -5.564 1.00 0.00 N ATOM 0 H ARG A 52 -4.181 7.074 -5.549 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.298 5.261 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.425 7.519 -4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.234 8.268 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.365 6.780 -6.839 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.618 6.752 -5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.625 9.219 -5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.175 9.329 -6.697 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.434 8.734 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.401 10.038 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.817 9.184 -3.689 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.962 6.951 -6.375 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.692 7.453 -4.846 1.00 0.00 H new ATOM 845 N HIS A 53 -5.820 6.728 -8.551 1.00 0.00 N ATOM 846 CA HIS A 53 -6.145 6.607 -9.998 1.00 0.00 C ATOM 847 C HIS A 53 -5.413 5.403 -10.606 1.00 0.00 C ATOM 848 O HIS A 53 -5.808 4.872 -11.625 1.00 0.00 O ATOM 849 CB HIS A 53 -5.698 7.889 -10.701 1.00 0.00 C ATOM 850 CG HIS A 53 -6.329 7.967 -12.063 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.648 7.608 -13.214 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.578 8.361 -12.473 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.482 7.792 -14.254 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.673 8.250 -13.857 1.00 0.00 N ATOM 0 H HIS A 53 -5.167 7.476 -8.319 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.218 6.460 -10.124 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.982 8.758 -10.108 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.612 7.906 -10.791 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.367 8.705 -11.821 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.221 7.594 -15.283 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.479 8.471 -14.442 1.00 0.00 H new ATOM 862 N ASN A 54 -4.341 4.982 -9.994 1.00 0.00 N ATOM 863 CA ASN A 54 -3.563 3.826 -10.530 1.00 0.00 C ATOM 864 C ASN A 54 -4.330 2.516 -10.324 1.00 0.00 C ATOM 865 O ASN A 54 -4.281 1.623 -11.147 1.00 0.00 O ATOM 866 CB ASN A 54 -2.222 3.744 -9.798 1.00 0.00 C ATOM 867 CG ASN A 54 -1.234 4.721 -10.437 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.006 4.682 -11.629 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.631 5.605 -9.688 1.00 0.00 N ATOM 0 H ASN A 54 -3.966 5.392 -9.138 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.403 3.974 -11.598 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.356 3.983 -8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.830 2.728 -9.848 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.030 6.261 -10.105 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.821 5.640 -8.686 1.00 0.00 H new ATOM 876 N LEU A 55 -5.026 2.390 -9.231 1.00 0.00 N ATOM 877 CA LEU A 55 -5.783 1.129 -8.973 1.00 0.00 C ATOM 878 C LEU A 55 -7.025 1.088 -9.868 1.00 0.00 C ATOM 879 O LEU A 55 -7.720 0.094 -9.933 1.00 0.00 O ATOM 880 CB LEU A 55 -6.219 1.043 -7.497 1.00 0.00 C ATOM 881 CG LEU A 55 -5.346 1.944 -6.615 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.830 1.873 -5.169 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.893 1.475 -6.691 1.00 0.00 C ATOM 0 H LEU A 55 -5.105 3.102 -8.505 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.132 0.284 -9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.264 1.339 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.148 0.011 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.416 2.973 -6.968 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.208 2.514 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.866 2.209 -5.115 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.763 0.845 -4.813 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.271 2.114 -6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.824 0.445 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.546 1.530 -7.723 1.00 0.00 H new ATOM 895 N SER A 56 -7.312 2.159 -10.556 1.00 0.00 N ATOM 896 CA SER A 56 -8.513 2.176 -11.437 1.00 0.00 C ATOM 897 C SER A 56 -8.133 1.715 -12.846 1.00 0.00 C ATOM 898 O SER A 56 -8.713 0.794 -13.386 1.00 0.00 O ATOM 899 CB SER A 56 -9.075 3.597 -11.503 1.00 0.00 C ATOM 900 OG SER A 56 -10.156 3.631 -12.425 1.00 0.00 O ATOM 0 H SER A 56 -6.768 3.021 -10.546 1.00 0.00 H new ATOM 0 HA SER A 56 -9.265 1.501 -11.029 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.413 3.913 -10.516 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.296 4.295 -11.812 1.00 0.00 H new ATOM 0 HG SER A 56 -10.520 4.540 -12.469 1.00 0.00 H new ATOM 906 N LEU A 57 -7.172 2.357 -13.451 1.00 0.00 N ATOM 907 CA LEU A 57 -6.765 1.967 -14.830 1.00 0.00 C ATOM 908 C LEU A 57 -5.931 0.685 -14.794 1.00 0.00 C ATOM 909 O LEU A 57 -5.986 -0.121 -15.702 1.00 0.00 O ATOM 910 CB LEU A 57 -5.940 3.095 -15.452 1.00 0.00 C ATOM 911 CG LEU A 57 -4.757 3.424 -14.542 1.00 0.00 C ATOM 912 CD1 LEU A 57 -3.463 2.927 -15.192 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.676 4.939 -14.341 1.00 0.00 C ATOM 0 H LEU A 57 -6.650 3.136 -13.049 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.659 1.789 -15.428 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.582 2.797 -16.438 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.561 3.979 -15.592 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.892 2.935 -13.577 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.618 3.161 -14.545 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.521 1.848 -15.339 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.328 3.418 -16.156 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.833 5.175 -13.692 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.539 5.427 -15.306 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.598 5.295 -13.882 1.00 0.00 H new ATOM 925 N ASN A 58 -5.155 0.489 -13.759 1.00 0.00 N ATOM 926 CA ASN A 58 -4.318 -0.745 -13.676 1.00 0.00 C ATOM 927 C ASN A 58 -5.135 -1.949 -14.156 1.00 0.00 C ATOM 928 O ASN A 58 -6.063 -2.384 -13.505 1.00 0.00 O ATOM 929 CB ASN A 58 -3.870 -0.965 -12.229 1.00 0.00 C ATOM 930 CG ASN A 58 -2.449 -0.427 -12.047 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.651 -1.012 -11.343 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.098 0.672 -12.659 1.00 0.00 N ATOM 0 H ASN A 58 -5.065 1.129 -12.970 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.438 -0.632 -14.309 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.552 -0.460 -11.545 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.902 -2.027 -11.985 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.153 1.039 -12.546 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.769 1.163 -13.250 1.00 0.00 H new ATOM 939 N ARG A 59 -4.807 -2.472 -15.307 1.00 0.00 N ATOM 940 CA ARG A 59 -5.569 -3.629 -15.860 1.00 0.00 C ATOM 941 C ARG A 59 -5.563 -4.810 -14.881 1.00 0.00 C ATOM 942 O ARG A 59 -6.383 -5.700 -14.981 1.00 0.00 O ATOM 943 CB ARG A 59 -4.943 -4.064 -17.186 1.00 0.00 C ATOM 944 CG ARG A 59 -3.444 -4.309 -16.993 1.00 0.00 C ATOM 945 CD ARG A 59 -2.738 -4.221 -18.346 1.00 0.00 C ATOM 946 NE ARG A 59 -1.942 -5.461 -18.571 1.00 0.00 N ATOM 947 CZ ARG A 59 -0.663 -5.380 -18.812 1.00 0.00 C ATOM 948 NH1 ARG A 59 -0.241 -5.170 -20.029 1.00 0.00 N ATOM 949 NH2 ARG A 59 0.194 -5.514 -17.838 1.00 0.00 N ATOM 0 H ARG A 59 -4.038 -2.145 -15.892 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.601 -3.318 -16.019 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.426 -4.972 -17.547 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.101 -3.296 -17.943 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -3.029 -3.572 -16.305 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.279 -5.290 -16.547 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -3.471 -4.096 -19.143 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.086 -3.348 -18.372 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.398 -6.373 -18.536 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.911 -5.069 -20.791 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.759 -5.107 -20.218 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.136 -5.682 -16.888 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.194 -5.451 -18.027 1.00 0.00 H new ATOM 963 N TYR A 60 -4.665 -4.835 -13.932 1.00 0.00 N ATOM 964 CA TYR A 60 -4.664 -5.979 -12.971 1.00 0.00 C ATOM 965 C TYR A 60 -5.319 -5.539 -11.667 1.00 0.00 C ATOM 966 O TYR A 60 -5.887 -6.337 -10.947 1.00 0.00 O ATOM 967 CB TYR A 60 -3.240 -6.497 -12.694 1.00 0.00 C ATOM 968 CG TYR A 60 -2.237 -5.366 -12.578 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.825 -4.677 -13.723 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.686 -5.035 -11.330 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.876 -3.654 -13.626 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.732 -4.016 -11.237 1.00 0.00 C ATOM 973 CZ TYR A 60 -0.328 -3.325 -12.383 1.00 0.00 C ATOM 974 OH TYR A 60 0.614 -2.323 -12.287 1.00 0.00 O ATOM 0 H TYR A 60 -3.945 -4.128 -13.781 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.227 -6.798 -13.418 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.239 -7.079 -11.772 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.937 -7.170 -13.496 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.241 -4.936 -14.686 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.998 -5.566 -10.443 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.567 -3.118 -14.511 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.307 -3.763 -10.277 1.00 0.00 H new ATOM 0 HH TYR A 60 0.238 -1.567 -11.789 1.00 0.00 H new ATOM 984 N PHE A 61 -5.262 -4.277 -11.362 1.00 0.00 N ATOM 985 CA PHE A 61 -5.900 -3.794 -10.110 1.00 0.00 C ATOM 986 C PHE A 61 -7.394 -3.589 -10.358 1.00 0.00 C ATOM 987 O PHE A 61 -7.812 -3.226 -11.439 1.00 0.00 O ATOM 988 CB PHE A 61 -5.262 -2.473 -9.685 1.00 0.00 C ATOM 989 CG PHE A 61 -3.845 -2.709 -9.200 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.401 -3.999 -8.849 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.968 -1.626 -9.102 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.092 -4.188 -8.406 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.666 -1.822 -8.660 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.226 -3.099 -8.310 1.00 0.00 C ATOM 0 H PHE A 61 -4.803 -3.560 -11.923 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.758 -4.529 -9.318 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.256 -1.777 -10.524 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.853 -2.013 -8.893 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.074 -4.841 -8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.303 -0.635 -9.370 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.749 -5.176 -8.138 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.991 -0.982 -8.587 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.213 -3.244 -7.964 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.198 -3.824 -9.362 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.670 -3.651 -9.532 1.00 0.00 C ATOM 1006 C ILE A 62 -10.258 -3.065 -8.250 1.00 0.00 C ATOM 1007 O ILE A 62 -9.604 -3.008 -7.231 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.317 -5.011 -9.812 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.121 -5.926 -8.601 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.668 -5.650 -11.040 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.989 -7.175 -8.761 1.00 0.00 C ATOM 0 H ILE A 62 -7.902 -4.129 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.864 -2.979 -10.368 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.382 -4.871 -9.999 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.072 -6.208 -8.511 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.389 -5.398 -7.686 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.132 -6.617 -11.235 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.807 -5.000 -11.904 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.602 -5.789 -10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.850 -7.827 -7.899 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.037 -6.883 -8.830 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.699 -7.706 -9.668 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.486 -2.626 -8.291 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.109 -2.041 -7.069 1.00 0.00 C ATOM 1025 C LYS A 63 -13.370 -2.829 -6.705 1.00 0.00 C ATOM 1026 O LYS A 63 -14.127 -3.238 -7.563 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.485 -0.584 -7.343 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.764 0.329 -6.349 1.00 0.00 C ATOM 1029 CD LYS A 63 -10.334 0.583 -6.829 1.00 0.00 C ATOM 1030 CE LYS A 63 -9.771 1.815 -6.116 1.00 0.00 C ATOM 1031 NZ LYS A 63 -10.367 3.046 -6.706 1.00 0.00 N ATOM 0 H LYS A 63 -12.085 -2.647 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.401 -2.091 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.213 -0.314 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.564 -0.454 -7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.299 1.274 -6.253 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.750 -0.131 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.710 -0.287 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.322 0.736 -7.908 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.994 1.765 -5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.686 1.841 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.757 3.862 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.451 2.932 -7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.310 3.205 -6.298 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.608 -3.042 -5.437 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.825 -3.798 -5.023 1.00 0.00 C ATOM 1047 C VAL A 64 -16.067 -2.935 -5.289 1.00 0.00 C ATOM 1048 O VAL A 64 -15.960 -1.734 -5.439 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.733 -4.124 -3.530 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.345 -4.686 -3.216 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -14.960 -2.852 -2.713 1.00 0.00 C ATOM 0 H VAL A 64 -13.013 -2.725 -4.672 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.898 -4.725 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.493 -4.862 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.278 -4.918 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.180 -5.593 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.586 -3.947 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.894 -3.086 -1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.200 -2.114 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.948 -2.448 -2.935 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.609 0.037 -0.526 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.663 -1.113 -0.451 1.00 0.00 C ATOM 1220 C PHE A 76 -11.467 -1.710 -1.843 1.00 0.00 C ATOM 1221 O PHE A 76 -12.405 -1.871 -2.599 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.232 -2.187 0.477 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.144 -2.688 1.394 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -10.014 -3.316 0.859 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.266 -2.525 2.778 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -9.004 -3.781 1.709 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.257 -2.990 3.629 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.126 -3.618 3.096 1.00 0.00 C ATOM 0 HA PHE A 76 -10.706 -0.762 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -13.056 -1.778 1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.637 -3.012 -0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.921 -3.442 -0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.139 -2.040 3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.131 -4.265 1.297 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.351 -2.864 4.697 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.347 -3.977 3.753 1.00 0.00 H new ATOM 1238 N TRP A 77 -10.255 -2.043 -2.188 1.00 0.00 N ATOM 1239 CA TRP A 77 -10.002 -2.630 -3.530 1.00 0.00 C ATOM 1240 C TRP A 77 -8.877 -3.671 -3.432 1.00 0.00 C ATOM 1241 O TRP A 77 -8.235 -3.805 -2.410 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.617 -1.509 -4.496 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.216 -1.074 -4.244 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.821 -0.233 -3.260 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -7.021 -1.430 -4.984 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.455 -0.050 -3.355 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.916 -0.770 -4.403 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.793 -2.257 -6.094 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.629 -0.918 -4.912 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -5.501 -2.412 -6.605 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -4.422 -1.743 -6.018 1.00 0.00 C ATOM 0 H TRP A 77 -9.430 -1.934 -1.598 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.899 -3.126 -3.899 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.719 -1.854 -5.525 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -10.295 -0.665 -4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.467 0.220 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.912 0.544 -2.728 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.620 -2.776 -6.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.799 -0.399 -4.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -5.335 -3.052 -7.459 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -3.428 -1.865 -6.421 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.643 -4.421 -4.480 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.568 -5.463 -4.429 1.00 0.00 C ATOM 1264 C ARG A 78 -7.004 -5.687 -5.833 1.00 0.00 C ATOM 1265 O ARG A 78 -7.614 -5.328 -6.818 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.142 -6.795 -3.915 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.579 -6.604 -3.417 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.225 -7.972 -3.195 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.422 -7.822 -2.322 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.171 -8.857 -2.062 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -13.170 -9.154 -2.847 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.922 -9.597 -1.016 1.00 0.00 N ATOM 0 H ARG A 78 -9.146 -4.359 -5.365 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.782 -5.119 -3.757 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.123 -7.538 -4.713 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.519 -7.179 -3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.581 -6.033 -2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.155 -6.031 -4.144 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.512 -8.410 -4.151 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.509 -8.653 -2.735 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.656 -6.911 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.365 -8.576 -3.665 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.756 -9.964 -2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.141 -9.366 -0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.508 -10.407 -0.813 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.849 -6.292 -5.936 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.268 -6.545 -7.287 1.00 0.00 C ATOM 1288 C ILE A 79 -5.934 -7.777 -7.892 1.00 0.00 C ATOM 1289 O ILE A 79 -6.755 -8.421 -7.269 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.759 -6.792 -7.176 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.505 -8.167 -6.546 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.131 -5.711 -6.309 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.055 -8.253 -6.055 1.00 0.00 C ATOM 0 H ILE A 79 -5.287 -6.619 -5.150 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.441 -5.675 -7.920 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.314 -6.765 -8.171 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.191 -8.328 -5.714 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.699 -8.953 -7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.058 -5.886 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.307 -4.735 -6.760 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.577 -5.737 -5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.880 -9.232 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.377 -8.111 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.876 -7.477 -5.311 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.585 -8.116 -9.099 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.197 -9.312 -9.735 1.00 0.00 C ATOM 1307 C ASP A 80 -5.640 -10.572 -9.065 1.00 0.00 C ATOM 1308 O ASP A 80 -4.551 -10.556 -8.530 1.00 0.00 O ATOM 1309 CB ASP A 80 -5.865 -9.318 -11.225 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.072 -8.820 -12.021 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -7.791 -7.979 -11.504 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.257 -9.285 -13.132 1.00 0.00 O ATOM 0 H ASP A 80 -4.904 -7.618 -9.672 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.280 -9.288 -9.614 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.001 -8.682 -11.418 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.596 -10.325 -11.544 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.421 -11.620 -9.097 1.00 0.00 N ATOM 1318 CA PRO A 81 -6.054 -12.906 -8.477 1.00 0.00 C ATOM 1319 C PRO A 81 -5.097 -13.721 -9.361 1.00 0.00 C ATOM 1320 O PRO A 81 -4.073 -14.191 -8.906 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.397 -13.626 -8.338 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.347 -12.988 -9.381 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.747 -11.619 -9.747 1.00 0.00 C ATOM 0 HA PRO A 81 -5.528 -12.772 -7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.285 -14.695 -8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.795 -13.513 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.433 -13.621 -10.264 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.351 -12.874 -8.971 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.661 -11.497 -10.827 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.369 -10.801 -9.383 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.431 -13.923 -10.608 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.544 -14.742 -11.489 1.00 0.00 C ATOM 1333 C ALA A 82 -3.434 -13.885 -12.098 1.00 0.00 C ATOM 1334 O ALA A 82 -2.571 -14.385 -12.792 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.378 -15.372 -12.606 1.00 0.00 C ATOM 0 H ALA A 82 -6.274 -13.560 -11.054 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.082 -15.523 -10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.732 -15.970 -13.249 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.147 -16.010 -12.170 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.850 -14.586 -13.195 1.00 0.00 H new ATOM 1341 N SER A 83 -3.423 -12.610 -11.840 1.00 0.00 N ATOM 1342 CA SER A 83 -2.338 -11.768 -12.405 1.00 0.00 C ATOM 1343 C SER A 83 -1.432 -11.318 -11.272 1.00 0.00 C ATOM 1344 O SER A 83 -0.463 -10.633 -11.487 1.00 0.00 O ATOM 1345 CB SER A 83 -2.923 -10.542 -13.102 1.00 0.00 C ATOM 1346 OG SER A 83 -2.784 -10.692 -14.509 1.00 0.00 O ATOM 0 H SER A 83 -4.110 -12.119 -11.269 1.00 0.00 H new ATOM 0 HA SER A 83 -1.774 -12.348 -13.135 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.974 -10.427 -12.839 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.410 -9.640 -12.768 1.00 0.00 H new ATOM 0 HG SER A 83 -3.160 -9.908 -14.960 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.735 -11.696 -10.064 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.877 -11.272 -8.932 1.00 0.00 C ATOM 1354 C GLU A 84 0.542 -11.789 -9.143 1.00 0.00 C ATOM 1355 O GLU A 84 1.500 -11.144 -8.778 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.442 -11.826 -7.621 1.00 0.00 C ATOM 1357 CG GLU A 84 -1.175 -13.331 -7.547 1.00 0.00 C ATOM 1358 CD GLU A 84 -1.582 -13.857 -6.169 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -1.498 -13.099 -5.217 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -1.968 -15.012 -6.089 1.00 0.00 O ATOM 0 H GLU A 84 -2.535 -12.277 -9.814 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.858 -10.183 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.981 -11.322 -6.772 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.513 -11.632 -7.563 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.736 -13.849 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.119 -13.533 -7.727 1.00 0.00 H new ATOM 1367 N ALA A 85 0.688 -12.947 -9.728 1.00 0.00 N ATOM 1368 CA ALA A 85 2.058 -13.493 -9.955 1.00 0.00 C ATOM 1369 C ALA A 85 2.779 -12.644 -11.008 1.00 0.00 C ATOM 1370 O ALA A 85 3.992 -12.611 -11.069 1.00 0.00 O ATOM 1371 CB ALA A 85 1.956 -14.941 -10.443 1.00 0.00 C ATOM 0 H ALA A 85 -0.077 -13.536 -10.057 1.00 0.00 H new ATOM 0 HA ALA A 85 2.620 -13.465 -9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.957 -15.340 -10.609 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.445 -15.543 -9.692 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.394 -14.972 -11.376 1.00 0.00 H new ATOM 1377 N LYS A 86 2.042 -11.957 -11.835 1.00 0.00 N ATOM 1378 CA LYS A 86 2.680 -11.108 -12.883 1.00 0.00 C ATOM 1379 C LYS A 86 2.986 -9.723 -12.299 1.00 0.00 C ATOM 1380 O LYS A 86 4.105 -9.253 -12.352 1.00 0.00 O ATOM 1381 CB LYS A 86 1.722 -10.984 -14.080 1.00 0.00 C ATOM 1382 CG LYS A 86 2.016 -9.702 -14.871 1.00 0.00 C ATOM 1383 CD LYS A 86 3.445 -9.748 -15.415 1.00 0.00 C ATOM 1384 CE LYS A 86 4.075 -8.360 -15.303 1.00 0.00 C ATOM 1385 NZ LYS A 86 4.590 -7.939 -16.636 1.00 0.00 N ATOM 0 H LYS A 86 1.022 -11.946 -11.831 1.00 0.00 H new ATOM 0 HA LYS A 86 3.613 -11.562 -13.217 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.828 -11.852 -14.730 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.690 -10.973 -13.728 1.00 0.00 H new ATOM 0 HG2 LYS A 86 1.307 -9.599 -15.693 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.889 -8.830 -14.229 1.00 0.00 H new ATOM 0 HD2 LYS A 86 4.036 -10.474 -14.856 1.00 0.00 H new ATOM 0 HD3 LYS A 86 3.440 -10.074 -16.455 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.338 -7.642 -14.943 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.887 -8.375 -14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 5.019 -6.995 -16.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.306 -8.619 -16.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.805 -7.909 -17.318 1.00 0.00 H new ATOM 1399 N LEU A 87 2.001 -9.062 -11.754 1.00 0.00 N ATOM 1400 CA LEU A 87 2.241 -7.708 -11.182 1.00 0.00 C ATOM 1401 C LEU A 87 3.371 -7.761 -10.170 1.00 0.00 C ATOM 1402 O LEU A 87 4.307 -6.989 -10.217 1.00 0.00 O ATOM 1403 CB LEU A 87 0.981 -7.189 -10.478 1.00 0.00 C ATOM 1404 CG LEU A 87 0.150 -8.341 -9.897 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -0.078 -8.104 -8.410 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.213 -8.391 -10.587 1.00 0.00 C ATOM 0 H LEU A 87 1.042 -9.401 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 87 2.504 -7.039 -12.001 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.265 -6.504 -9.679 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.375 -6.621 -11.184 1.00 0.00 H new ATOM 0 HG LEU A 87 0.686 -9.277 -10.054 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.668 -8.922 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.883 -8.055 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.612 -7.164 -8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.801 -9.210 -10.172 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.738 -7.449 -10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.074 -8.549 -11.656 1.00 0.00 H new ATOM 1418 N VAL A 88 3.273 -8.653 -9.244 1.00 0.00 N ATOM 1419 CA VAL A 88 4.314 -8.770 -8.199 1.00 0.00 C ATOM 1420 C VAL A 88 5.707 -8.823 -8.819 1.00 0.00 C ATOM 1421 O VAL A 88 6.686 -8.454 -8.201 1.00 0.00 O ATOM 1422 CB VAL A 88 4.080 -10.056 -7.456 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.770 -9.971 -6.669 1.00 0.00 C ATOM 1424 CG2 VAL A 88 4.006 -11.192 -8.475 1.00 0.00 C ATOM 0 H VAL A 88 2.505 -9.319 -9.162 1.00 0.00 H new ATOM 0 HA VAL A 88 4.257 -7.904 -7.539 1.00 0.00 H new ATOM 0 HB VAL A 88 4.893 -10.238 -6.753 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.606 -10.906 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.827 -9.149 -5.956 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.943 -9.798 -7.357 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.836 -12.136 -7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.185 -11.006 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.943 -11.246 -9.029 1.00 0.00 H new ATOM 1434 N GLU A 89 5.812 -9.301 -10.021 1.00 0.00 N ATOM 1435 CA GLU A 89 7.152 -9.393 -10.663 1.00 0.00 C ATOM 1436 C GLU A 89 7.814 -8.017 -10.616 1.00 0.00 C ATOM 1437 O GLU A 89 8.974 -7.886 -10.282 1.00 0.00 O ATOM 1438 CB GLU A 89 6.997 -9.840 -12.119 1.00 0.00 C ATOM 1439 CG GLU A 89 8.378 -9.935 -12.772 1.00 0.00 C ATOM 1440 CD GLU A 89 8.377 -9.168 -14.097 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.411 -8.472 -14.358 1.00 0.00 O ATOM 1442 OE2 GLU A 89 9.346 -9.291 -14.830 1.00 0.00 O ATOM 0 H GLU A 89 5.032 -9.632 -10.589 1.00 0.00 H new ATOM 0 HA GLU A 89 7.768 -10.120 -10.133 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.495 -10.806 -12.163 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.373 -9.132 -12.664 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.136 -9.525 -12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.638 -10.979 -12.946 1.00 0.00 H new ATOM 1449 N GLN A 90 7.081 -6.988 -10.931 1.00 0.00 N ATOM 1450 CA GLN A 90 7.663 -5.620 -10.883 1.00 0.00 C ATOM 1451 C GLN A 90 7.668 -5.130 -9.431 1.00 0.00 C ATOM 1452 O GLN A 90 8.345 -4.182 -9.086 1.00 0.00 O ATOM 1453 CB GLN A 90 6.815 -4.675 -11.740 1.00 0.00 C ATOM 1454 CG GLN A 90 6.931 -5.076 -13.212 1.00 0.00 C ATOM 1455 CD GLN A 90 7.644 -3.967 -13.989 1.00 0.00 C ATOM 1456 OE1 GLN A 90 8.843 -4.019 -14.179 1.00 0.00 O ATOM 1457 NE2 GLN A 90 6.953 -2.960 -14.448 1.00 0.00 N ATOM 0 H GLN A 90 6.104 -7.035 -11.220 1.00 0.00 H new ATOM 0 HA GLN A 90 8.682 -5.638 -11.268 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.773 -4.716 -11.422 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.149 -3.646 -11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.484 -6.011 -13.303 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.940 -5.249 -13.632 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.947 -2.917 -14.288 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.419 -2.216 -14.967 1.00 0.00 H new ATOM 1466 N ALA A 91 6.909 -5.770 -8.580 1.00 0.00 N ATOM 1467 CA ALA A 91 6.857 -5.346 -7.150 1.00 0.00 C ATOM 1468 C ALA A 91 8.213 -5.578 -6.476 1.00 0.00 C ATOM 1469 O ALA A 91 8.633 -4.817 -5.627 1.00 0.00 O ATOM 1470 CB ALA A 91 5.792 -6.150 -6.406 1.00 0.00 C ATOM 0 H ALA A 91 6.322 -6.570 -8.815 1.00 0.00 H new ATOM 0 HA ALA A 91 6.611 -4.285 -7.116 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.760 -5.835 -5.363 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.819 -5.979 -6.867 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.036 -7.211 -6.457 1.00 0.00 H new ATOM 1476 N PHE A 92 8.891 -6.636 -6.829 1.00 0.00 N ATOM 1477 CA PHE A 92 10.207 -6.927 -6.187 1.00 0.00 C ATOM 1478 C PHE A 92 11.350 -6.277 -6.972 1.00 0.00 C ATOM 1479 O PHE A 92 12.210 -5.629 -6.408 1.00 0.00 O ATOM 1480 CB PHE A 92 10.423 -8.441 -6.143 1.00 0.00 C ATOM 1481 CG PHE A 92 9.211 -9.107 -5.534 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.839 -8.815 -4.217 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.461 -10.019 -6.286 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.717 -9.433 -3.652 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.338 -10.637 -5.722 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.966 -10.344 -4.404 1.00 0.00 C ATOM 0 H PHE A 92 8.592 -7.311 -7.533 1.00 0.00 H new ATOM 0 HA PHE A 92 10.200 -6.518 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.594 -8.824 -7.149 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.312 -8.675 -5.558 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.418 -8.112 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.749 -10.246 -7.302 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.431 -9.207 -2.635 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.759 -11.339 -6.303 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.100 -10.821 -3.968 1.00 0.00 H new ATOM 1496 N ARG A 93 11.382 -6.457 -8.263 1.00 0.00 N ATOM 1497 CA ARG A 93 12.487 -5.865 -9.070 1.00 0.00 C ATOM 1498 C ARG A 93 12.308 -4.350 -9.194 1.00 0.00 C ATOM 1499 O ARG A 93 11.424 -3.873 -9.878 1.00 0.00 O ATOM 1500 CB ARG A 93 12.488 -6.491 -10.466 1.00 0.00 C ATOM 1501 CG ARG A 93 12.966 -7.941 -10.374 1.00 0.00 C ATOM 1502 CD ARG A 93 13.927 -8.235 -11.527 1.00 0.00 C ATOM 1503 NE ARG A 93 14.340 -9.666 -11.476 1.00 0.00 N ATOM 1504 CZ ARG A 93 14.382 -10.373 -12.573 1.00 0.00 C ATOM 1505 NH1 ARG A 93 13.412 -10.290 -13.441 1.00 0.00 N ATOM 1506 NH2 ARG A 93 15.394 -11.165 -12.799 1.00 0.00 N ATOM 0 H ARG A 93 10.692 -6.988 -8.794 1.00 0.00 H new ATOM 0 HA ARG A 93 13.434 -6.068 -8.570 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.486 -6.454 -10.894 1.00 0.00 H new ATOM 0 HB3 ARG A 93 13.140 -5.923 -11.130 1.00 0.00 H new ATOM 0 HG2 ARG A 93 13.464 -8.111 -9.419 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.114 -8.619 -10.415 1.00 0.00 H new ATOM 0 HD2 ARG A 93 13.445 -8.018 -12.480 1.00 0.00 H new ATOM 0 HD3 ARG A 93 14.803 -7.590 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 93 14.590 -10.093 -10.584 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.620 -9.672 -13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.446 -10.843 -14.298 1.00 0.00 H new ATOM 0 HH21 ARG A 93 16.151 -11.231 -12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.428 -11.718 -13.656 1.00 0.00 H new ATOM 1520 N LYS A 94 13.153 -3.589 -8.552 1.00 0.00 N ATOM 1521 CA LYS A 94 13.046 -2.106 -8.646 1.00 0.00 C ATOM 1522 C LYS A 94 14.452 -1.512 -8.826 1.00 0.00 C ATOM 1523 O LYS A 94 15.179 -1.898 -9.721 1.00 0.00 O ATOM 1524 CB LYS A 94 12.386 -1.550 -7.384 1.00 0.00 C ATOM 1525 CG LYS A 94 11.897 -0.125 -7.658 1.00 0.00 C ATOM 1526 CD LYS A 94 10.841 -0.148 -8.768 1.00 0.00 C ATOM 1527 CE LYS A 94 11.246 0.827 -9.877 1.00 0.00 C ATOM 1528 NZ LYS A 94 10.592 0.426 -11.155 1.00 0.00 N ATOM 0 H LYS A 94 13.914 -3.932 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 94 12.430 -1.834 -9.503 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.550 -2.183 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.096 -1.551 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 94 11.475 0.306 -6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.735 0.507 -7.952 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.744 -1.156 -9.172 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.867 0.128 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.952 1.842 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.330 0.830 -9.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 11.301 0.012 -11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.850 -0.276 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.168 1.262 -11.605 1.00 0.00 H new