USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 601 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 16 ASN : amide:sc= -1.01 K(o=-1,f=-2.5!) USER MOD Set 1.2: A 74 ASN : amide:sc= -0.0028 K(o=-1,f=0.94) USER MOD Set 2.1: A 55 ASN : amide:sc= 0.0254 K(o=0.025,f=-5.5!) USER MOD Set 2.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 48 SER OG : rot 12:sc= 1.01 USER MOD Single : A 9 HIS : no HD1:sc= -0.553 X(o=-0.55,f=-0.1) USER MOD Single : A 10 THR OG1 : rot -120:sc= -1.04 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 36:sc= -0.702 USER MOD Single : A 20 ASN : amide:sc= -0.47 K(o=-0.47,f=-2.5!) USER MOD Single : A 21 LYS NZ :NH3+ -130:sc= 0.792 (180deg=-3.19!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -54:sc= 0.886 USER MOD Single : A 27 SER OG : rot -56:sc= 0.0723 USER MOD Single : A 28 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.9!) USER MOD Single : A 34 SER OG : rot -53:sc= 0.864 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 96:sc= 0.881 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 25:sc= 0.61 USER MOD Single : A 47 CYS SG : rot 180:sc= 0.181 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 63 GLN : amide:sc= -0.339 K(o=-0.34,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 178:sc= -3.44! (180deg=-3.5!) USER MOD Single : A 68 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.2!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 9 8.470 14.271 0.245 1.00 0.00 N ATOM 78 CA HIS A 9 7.493 13.207 0.043 1.00 0.00 C ATOM 79 C HIS A 9 6.555 13.096 1.241 1.00 0.00 C ATOM 80 O HIS A 9 6.699 13.821 2.226 1.00 0.00 O ATOM 81 CB HIS A 9 8.201 11.872 -0.190 1.00 0.00 C ATOM 82 CG HIS A 9 8.493 11.592 -1.632 1.00 0.00 C ATOM 83 ND1 HIS A 9 9.434 12.289 -2.359 1.00 0.00 N ATOM 84 CD2 HIS A 9 7.961 10.683 -2.482 1.00 0.00 C ATOM 85 CE1 HIS A 9 9.468 11.822 -3.594 1.00 0.00 C ATOM 86 NE2 HIS A 9 8.584 10.846 -3.695 1.00 0.00 N ATOM 0 HA HIS A 9 6.901 13.454 -0.838 1.00 0.00 H new ATOM 0 HB2 HIS A 9 9.136 11.864 0.370 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.583 11.068 0.210 1.00 0.00 H new ATOM 0 HD2 HIS A 9 7.190 9.963 -2.250 1.00 0.00 H new ATOM 0 HE1 HIS A 9 10.110 12.178 -4.387 1.00 0.00 H new ATOM 0 HE2 HIS A 9 8.395 10.302 -4.537 1.00 0.00 H new ATOM 94 N THR A 10 5.591 12.184 1.150 1.00 0.00 N ATOM 95 CA THR A 10 4.628 11.980 2.225 1.00 0.00 C ATOM 96 C THR A 10 4.345 10.497 2.435 1.00 0.00 C ATOM 97 O THR A 10 3.695 9.856 1.608 1.00 0.00 O ATOM 98 CB THR A 10 3.302 12.709 1.937 1.00 0.00 C ATOM 99 OG1 THR A 10 3.564 14.042 1.485 1.00 0.00 O ATOM 100 CG2 THR A 10 2.428 12.753 3.181 1.00 0.00 C ATOM 0 H THR A 10 5.457 11.575 0.343 1.00 0.00 H new ATOM 0 HA THR A 10 5.072 12.394 3.130 1.00 0.00 H new ATOM 0 HB THR A 10 2.772 12.159 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.148 14.683 2.098 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.497 13.272 2.953 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.206 11.736 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.953 13.282 3.976 1.00 0.00 H new ATOM 108 N LEU A 11 4.834 9.957 3.545 1.00 0.00 N ATOM 109 CA LEU A 11 4.632 8.548 3.864 1.00 0.00 C ATOM 110 C LEU A 11 3.357 8.351 4.677 1.00 0.00 C ATOM 111 O LEU A 11 2.986 9.202 5.487 1.00 0.00 O ATOM 112 CB LEU A 11 5.833 8.003 4.639 1.00 0.00 C ATOM 113 CG LEU A 11 7.151 7.924 3.866 1.00 0.00 C ATOM 114 CD1 LEU A 11 8.330 8.165 4.796 1.00 0.00 C ATOM 115 CD2 LEU A 11 7.282 6.575 3.173 1.00 0.00 C ATOM 0 H LEU A 11 5.373 10.473 4.240 1.00 0.00 H new ATOM 0 HA LEU A 11 4.532 8.000 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.987 8.629 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.585 7.004 4.998 1.00 0.00 H new ATOM 0 HG LEU A 11 7.151 8.703 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.259 8.105 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.243 9.154 5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.335 7.409 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.225 6.536 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.260 5.780 3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.454 6.442 2.476 1.00 0.00 H new ATOM 127 N LEU A 12 2.690 7.224 4.458 1.00 0.00 N ATOM 128 CA LEU A 12 1.456 6.913 5.172 1.00 0.00 C ATOM 129 C LEU A 12 1.643 5.702 6.080 1.00 0.00 C ATOM 130 O LEU A 12 2.417 4.795 5.771 1.00 0.00 O ATOM 131 CB LEU A 12 0.322 6.651 4.179 1.00 0.00 C ATOM 132 CG LEU A 12 -0.362 7.889 3.599 1.00 0.00 C ATOM 133 CD1 LEU A 12 -1.517 7.487 2.695 1.00 0.00 C ATOM 134 CD2 LEU A 12 -0.848 8.803 4.714 1.00 0.00 C ATOM 0 H LEU A 12 2.983 6.510 3.791 1.00 0.00 H new ATOM 0 HA LEU A 12 1.197 7.771 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.718 6.059 3.354 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.434 6.041 4.674 1.00 0.00 H new ATOM 0 HG LEU A 12 0.367 8.436 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.992 8.381 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.141 6.874 1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.247 6.917 3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.332 9.679 4.282 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.561 8.266 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.000 9.120 5.321 1.00 0.00 H new ATOM 146 N TYR A 13 0.928 5.693 7.199 1.00 0.00 N ATOM 147 CA TYR A 13 1.014 4.593 8.153 1.00 0.00 C ATOM 148 C TYR A 13 -0.333 3.892 8.300 1.00 0.00 C ATOM 149 O TYR A 13 -1.302 4.481 8.780 1.00 0.00 O ATOM 150 CB TYR A 13 1.487 5.106 9.514 1.00 0.00 C ATOM 151 CG TYR A 13 2.821 5.816 9.463 1.00 0.00 C ATOM 152 CD1 TYR A 13 3.737 5.544 8.454 1.00 0.00 C ATOM 153 CD2 TYR A 13 3.166 6.758 10.424 1.00 0.00 C ATOM 154 CE1 TYR A 13 4.958 6.189 8.405 1.00 0.00 C ATOM 155 CE2 TYR A 13 4.383 7.409 10.382 1.00 0.00 C ATOM 156 CZ TYR A 13 5.276 7.121 9.371 1.00 0.00 C ATOM 157 OH TYR A 13 6.490 7.767 9.325 1.00 0.00 O ATOM 0 H TYR A 13 0.282 6.435 7.468 1.00 0.00 H new ATOM 0 HA TYR A 13 1.738 3.872 7.773 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.737 5.787 9.917 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.558 4.266 10.205 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.490 4.816 7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.470 6.985 11.218 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.659 5.965 7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.634 8.140 11.137 1.00 0.00 H new ATOM 0 HH TYR A 13 6.557 8.392 10.077 1.00 0.00 H new ATOM 167 N VAL A 14 -0.385 2.631 7.885 1.00 0.00 N ATOM 168 CA VAL A 14 -1.612 1.848 7.972 1.00 0.00 C ATOM 169 C VAL A 14 -1.596 0.935 9.193 1.00 0.00 C ATOM 170 O VAL A 14 -0.543 0.441 9.599 1.00 0.00 O ATOM 171 CB VAL A 14 -1.823 0.992 6.709 1.00 0.00 C ATOM 172 CG1 VAL A 14 -3.198 0.342 6.727 1.00 0.00 C ATOM 173 CG2 VAL A 14 -1.641 1.838 5.457 1.00 0.00 C ATOM 0 H VAL A 14 0.408 2.129 7.485 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.434 2.558 8.063 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.074 0.200 6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.328 -0.259 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.287 -0.297 7.606 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.966 1.115 6.762 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.793 1.218 4.574 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.366 2.652 5.459 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.633 2.251 5.441 1.00 0.00 H new ATOM 183 N TYR A 15 -2.769 0.715 9.776 1.00 0.00 N ATOM 184 CA TYR A 15 -2.891 -0.137 10.953 1.00 0.00 C ATOM 185 C TYR A 15 -4.146 -1.000 10.874 1.00 0.00 C ATOM 186 O TYR A 15 -4.931 -0.889 9.933 1.00 0.00 O ATOM 187 CB TYR A 15 -2.922 0.714 12.223 1.00 0.00 C ATOM 188 CG TYR A 15 -1.811 1.737 12.295 1.00 0.00 C ATOM 189 CD1 TYR A 15 -1.962 2.996 11.727 1.00 0.00 C ATOM 190 CD2 TYR A 15 -0.611 1.445 12.931 1.00 0.00 C ATOM 191 CE1 TYR A 15 -0.949 3.933 11.789 1.00 0.00 C ATOM 192 CE2 TYR A 15 0.407 2.376 13.000 1.00 0.00 C ATOM 193 CZ TYR A 15 0.233 3.619 12.427 1.00 0.00 C ATOM 194 OH TYR A 15 1.244 4.550 12.492 1.00 0.00 O ATOM 0 H TYR A 15 -3.650 1.115 9.452 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.022 -0.795 10.986 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.882 1.228 12.282 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.857 0.058 13.091 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.887 3.246 11.229 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.472 0.473 13.380 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.082 4.906 11.340 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.333 2.133 13.499 1.00 0.00 H new ATOM 0 HH TYR A 15 0.858 5.445 12.596 1.00 0.00 H new ATOM 204 N ASN A 16 -4.329 -1.860 11.871 1.00 0.00 N ATOM 205 CA ASN A 16 -5.489 -2.743 11.915 1.00 0.00 C ATOM 206 C ASN A 16 -5.598 -3.563 10.634 1.00 0.00 C ATOM 207 O ASN A 16 -6.630 -3.551 9.961 1.00 0.00 O ATOM 208 CB ASN A 16 -6.768 -1.928 12.123 1.00 0.00 C ATOM 209 CG ASN A 16 -7.878 -2.746 12.756 1.00 0.00 C ATOM 210 OD1 ASN A 16 -8.333 -3.739 12.188 1.00 0.00 O ATOM 211 ND2 ASN A 16 -8.318 -2.331 13.938 1.00 0.00 N ATOM 0 H ASN A 16 -3.689 -1.964 12.659 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.362 -3.428 12.753 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.549 -1.068 12.755 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.108 -1.540 11.163 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.063 -2.841 14.413 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -7.911 -1.502 14.371 1.00 0.00 H new ATOM 218 N LEU A 17 -4.528 -4.276 10.302 1.00 0.00 N ATOM 219 CA LEU A 17 -4.502 -5.105 9.101 1.00 0.00 C ATOM 220 C LEU A 17 -4.804 -6.561 9.438 1.00 0.00 C ATOM 221 O LEU A 17 -4.590 -7.022 10.559 1.00 0.00 O ATOM 222 CB LEU A 17 -3.139 -5.000 8.415 1.00 0.00 C ATOM 223 CG LEU A 17 -2.917 -3.761 7.548 1.00 0.00 C ATOM 224 CD1 LEU A 17 -1.435 -3.559 7.273 1.00 0.00 C ATOM 225 CD2 LEU A 17 -3.692 -3.877 6.243 1.00 0.00 C ATOM 0 H LEU A 17 -3.666 -4.297 10.847 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.273 -4.742 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.366 -5.025 9.183 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.999 -5.884 7.793 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.286 -2.891 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.297 -2.672 6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.904 -3.429 8.216 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.040 -4.430 6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.522 -2.986 5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.353 -4.757 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.756 -3.971 6.459 1.00 0.00 H new ATOM 237 N PRO A 18 -5.313 -7.305 8.445 1.00 0.00 N ATOM 238 CA PRO A 18 -5.653 -8.722 8.610 1.00 0.00 C ATOM 239 C PRO A 18 -4.416 -9.600 8.767 1.00 0.00 C ATOM 240 O PRO A 18 -3.847 -10.069 7.782 1.00 0.00 O ATOM 241 CB PRO A 18 -6.391 -9.063 7.314 1.00 0.00 C ATOM 242 CG PRO A 18 -5.877 -8.084 6.316 1.00 0.00 C ATOM 243 CD PRO A 18 -5.594 -6.821 7.083 1.00 0.00 C ATOM 0 HA PRO A 18 -6.242 -8.898 9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.191 -10.088 7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.470 -8.973 7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.974 -8.457 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -6.610 -7.907 5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.745 -6.279 6.666 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.446 -6.141 7.066 1.00 0.00 H new ATOM 251 N ALA A 19 -4.006 -9.819 10.012 1.00 0.00 N ATOM 252 CA ALA A 19 -2.838 -10.644 10.298 1.00 0.00 C ATOM 253 C ALA A 19 -3.006 -12.048 9.728 1.00 0.00 C ATOM 254 O ALA A 19 -2.078 -12.606 9.145 1.00 0.00 O ATOM 255 CB ALA A 19 -2.590 -10.706 11.797 1.00 0.00 C ATOM 0 H ALA A 19 -4.465 -9.437 10.839 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.973 -10.186 9.817 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.715 -11.325 11.996 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.417 -9.700 12.179 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.460 -11.137 12.292 1.00 0.00 H new ATOM 261 N ASN A 20 -4.195 -12.615 9.903 1.00 0.00 N ATOM 262 CA ASN A 20 -4.484 -13.956 9.407 1.00 0.00 C ATOM 263 C ASN A 20 -4.252 -14.041 7.902 1.00 0.00 C ATOM 264 O ASN A 20 -3.571 -14.945 7.417 1.00 0.00 O ATOM 265 CB ASN A 20 -5.927 -14.344 9.735 1.00 0.00 C ATOM 266 CG ASN A 20 -6.284 -14.071 11.183 1.00 0.00 C ATOM 267 OD1 ASN A 20 -5.415 -13.774 12.003 1.00 0.00 O ATOM 268 ND2 ASN A 20 -7.569 -14.171 11.505 1.00 0.00 N ATOM 0 H ASN A 20 -4.974 -12.167 10.385 1.00 0.00 H new ATOM 0 HA ASN A 20 -3.807 -14.653 9.901 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.606 -13.791 9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.073 -15.403 9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -7.869 -13.999 12.465 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.255 -14.420 10.793 1.00 0.00 H new ATOM 275 N LYS A 21 -4.822 -13.092 7.167 1.00 0.00 N ATOM 276 CA LYS A 21 -4.677 -13.057 5.716 1.00 0.00 C ATOM 277 C LYS A 21 -3.210 -12.929 5.319 1.00 0.00 C ATOM 278 O LYS A 21 -2.595 -11.880 5.510 1.00 0.00 O ATOM 279 CB LYS A 21 -5.479 -11.892 5.131 1.00 0.00 C ATOM 280 CG LYS A 21 -6.938 -11.886 5.552 1.00 0.00 C ATOM 281 CD LYS A 21 -7.667 -13.124 5.058 1.00 0.00 C ATOM 282 CE LYS A 21 -7.903 -13.070 3.556 1.00 0.00 C ATOM 283 NZ LYS A 21 -9.202 -12.423 3.223 1.00 0.00 N ATOM 0 H LYS A 21 -5.389 -12.337 7.552 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.063 -13.994 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.017 -10.954 5.438 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.424 -11.934 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.004 -11.834 6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.427 -10.994 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.085 -14.012 5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.623 -13.215 5.574 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.091 -12.521 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.886 -14.081 3.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.731 -13.026 2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.758 -12.293 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.026 -11.497 2.783 1.00 0.00 H new ATOM 297 N ASP A 22 -2.657 -14.001 4.764 1.00 0.00 N ATOM 298 CA ASP A 22 -1.262 -14.007 4.337 1.00 0.00 C ATOM 299 C ASP A 22 -0.862 -12.650 3.767 1.00 0.00 C ATOM 300 O ASP A 22 -1.543 -12.105 2.898 1.00 0.00 O ATOM 301 CB ASP A 22 -1.031 -15.101 3.293 1.00 0.00 C ATOM 302 CG ASP A 22 -1.618 -16.435 3.712 1.00 0.00 C ATOM 303 OD1 ASP A 22 -1.242 -16.935 4.792 1.00 0.00 O ATOM 304 OD2 ASP A 22 -2.453 -16.979 2.959 1.00 0.00 O ATOM 0 H ASP A 22 -3.153 -14.877 4.599 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.641 -14.211 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.474 -14.794 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.039 -15.216 3.122 1.00 0.00 H new ATOM 309 N GLY A 23 0.246 -12.108 4.263 1.00 0.00 N ATOM 310 CA GLY A 23 0.717 -10.819 3.792 1.00 0.00 C ATOM 311 C GLY A 23 0.695 -10.710 2.280 1.00 0.00 C ATOM 312 O GLY A 23 0.199 -9.729 1.727 1.00 0.00 O ATOM 0 H GLY A 23 0.826 -12.539 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.097 -10.031 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.733 -10.654 4.150 1.00 0.00 H new ATOM 316 N LYS A 24 1.236 -11.721 1.608 1.00 0.00 N ATOM 317 CA LYS A 24 1.277 -11.736 0.151 1.00 0.00 C ATOM 318 C LYS A 24 -0.015 -11.178 -0.437 1.00 0.00 C ATOM 319 O LYS A 24 0.011 -10.271 -1.268 1.00 0.00 O ATOM 320 CB LYS A 24 1.508 -13.161 -0.359 1.00 0.00 C ATOM 321 CG LYS A 24 2.142 -13.219 -1.737 1.00 0.00 C ATOM 322 CD LYS A 24 3.631 -12.919 -1.680 1.00 0.00 C ATOM 323 CE LYS A 24 4.150 -12.417 -3.018 1.00 0.00 C ATOM 324 NZ LYS A 24 5.580 -12.008 -2.939 1.00 0.00 N ATOM 0 H LYS A 24 1.652 -12.541 2.050 1.00 0.00 H new ATOM 0 HA LYS A 24 2.104 -11.103 -0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.146 -13.692 0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.554 -13.688 -0.385 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.986 -14.207 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.651 -12.502 -2.395 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.823 -12.172 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.174 -13.819 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.037 -13.199 -3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.548 -11.570 -3.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.897 -11.672 -3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.684 -11.244 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.159 -12.822 -2.650 1.00 0.00 H new ATOM 338 N SER A 25 -1.144 -11.726 0.002 1.00 0.00 N ATOM 339 CA SER A 25 -2.446 -11.284 -0.482 1.00 0.00 C ATOM 340 C SER A 25 -2.764 -9.878 0.019 1.00 0.00 C ATOM 341 O SER A 25 -3.314 -9.055 -0.712 1.00 0.00 O ATOM 342 CB SER A 25 -3.538 -12.257 -0.032 1.00 0.00 C ATOM 343 OG SER A 25 -3.904 -12.025 1.317 1.00 0.00 O ATOM 0 H SER A 25 -1.183 -12.476 0.692 1.00 0.00 H new ATOM 0 HA SER A 25 -2.413 -11.264 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.413 -12.148 -0.673 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.185 -13.282 -0.145 1.00 0.00 H new ATOM 0 HG SER A 25 -3.104 -12.050 1.882 1.00 0.00 H new ATOM 349 N VAL A 26 -2.413 -9.610 1.273 1.00 0.00 N ATOM 350 CA VAL A 26 -2.658 -8.305 1.873 1.00 0.00 C ATOM 351 C VAL A 26 -2.043 -7.190 1.036 1.00 0.00 C ATOM 352 O VAL A 26 -2.755 -6.379 0.443 1.00 0.00 O ATOM 353 CB VAL A 26 -2.092 -8.229 3.304 1.00 0.00 C ATOM 354 CG1 VAL A 26 -2.459 -6.904 3.954 1.00 0.00 C ATOM 355 CG2 VAL A 26 -2.595 -9.399 4.137 1.00 0.00 C ATOM 0 H VAL A 26 -1.958 -10.280 1.893 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.739 -8.173 1.910 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.005 -8.290 3.251 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.051 -6.869 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.046 -6.084 3.367 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.544 -6.808 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.186 -9.330 5.145 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.684 -9.370 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.276 -10.335 3.679 1.00 0.00 H new ATOM 365 N SER A 27 -0.715 -7.155 0.991 1.00 0.00 N ATOM 366 CA SER A 27 -0.002 -6.137 0.228 1.00 0.00 C ATOM 367 C SER A 27 -0.750 -5.799 -1.058 1.00 0.00 C ATOM 368 O SER A 27 -1.274 -4.697 -1.213 1.00 0.00 O ATOM 369 CB SER A 27 1.413 -6.615 -0.102 1.00 0.00 C ATOM 370 OG SER A 27 1.385 -7.719 -0.991 1.00 0.00 O ATOM 0 H SER A 27 -0.111 -7.820 1.474 1.00 0.00 H new ATOM 0 HA SER A 27 0.060 -5.237 0.839 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.981 -5.799 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.928 -6.897 0.816 1.00 0.00 H new ATOM 0 HG SER A 27 0.839 -8.436 -0.606 1.00 0.00 H new ATOM 376 N ASN A 28 -0.794 -6.757 -1.979 1.00 0.00 N ATOM 377 CA ASN A 28 -1.477 -6.562 -3.253 1.00 0.00 C ATOM 378 C ASN A 28 -2.708 -5.677 -3.080 1.00 0.00 C ATOM 379 O ASN A 28 -2.802 -4.604 -3.675 1.00 0.00 O ATOM 380 CB ASN A 28 -1.883 -7.911 -3.849 1.00 0.00 C ATOM 381 CG ASN A 28 -2.223 -7.812 -5.324 1.00 0.00 C ATOM 382 OD1 ASN A 28 -2.495 -6.727 -5.838 1.00 0.00 O ATOM 383 ND2 ASN A 28 -2.209 -8.948 -6.011 1.00 0.00 N ATOM 0 H ASN A 28 -0.365 -7.676 -1.867 1.00 0.00 H new ATOM 0 HA ASN A 28 -0.787 -6.065 -3.935 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.070 -8.625 -3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.744 -8.301 -3.306 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -2.430 -8.945 -7.007 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -1.978 -9.824 -5.543 1.00 0.00 H new ATOM 390 N ARG A 29 -3.649 -6.136 -2.261 1.00 0.00 N ATOM 391 CA ARG A 29 -4.874 -5.387 -2.011 1.00 0.00 C ATOM 392 C ARG A 29 -4.574 -3.905 -1.807 1.00 0.00 C ATOM 393 O ARG A 29 -5.231 -3.041 -2.389 1.00 0.00 O ATOM 394 CB ARG A 29 -5.596 -5.946 -0.783 1.00 0.00 C ATOM 395 CG ARG A 29 -6.810 -5.131 -0.367 1.00 0.00 C ATOM 396 CD ARG A 29 -7.871 -5.115 -1.457 1.00 0.00 C ATOM 397 NE ARG A 29 -8.486 -6.426 -1.641 1.00 0.00 N ATOM 398 CZ ARG A 29 -9.476 -6.660 -2.495 1.00 0.00 C ATOM 399 NH1 ARG A 29 -9.961 -5.676 -3.239 1.00 0.00 N ATOM 400 NH2 ARG A 29 -9.984 -7.881 -2.606 1.00 0.00 N ATOM 0 H ARG A 29 -3.586 -7.022 -1.760 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.519 -5.492 -2.883 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.910 -6.969 -0.991 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.896 -5.990 0.051 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.233 -5.547 0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.504 -4.110 -0.141 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.641 -4.386 -1.203 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.422 -4.790 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.136 -7.205 -1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.574 -4.736 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.721 -5.859 -3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.614 -8.641 -2.035 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.744 -8.059 -3.262 1.00 0.00 H new ATOM 414 N LEU A 30 -3.578 -3.618 -0.976 1.00 0.00 N ATOM 415 CA LEU A 30 -3.190 -2.240 -0.694 1.00 0.00 C ATOM 416 C LEU A 30 -2.556 -1.591 -1.921 1.00 0.00 C ATOM 417 O LEU A 30 -2.947 -0.497 -2.328 1.00 0.00 O ATOM 418 CB LEU A 30 -2.214 -2.194 0.483 1.00 0.00 C ATOM 419 CG LEU A 30 -2.816 -2.456 1.864 1.00 0.00 C ATOM 420 CD1 LEU A 30 -2.921 -3.950 2.126 1.00 0.00 C ATOM 421 CD2 LEU A 30 -1.984 -1.780 2.944 1.00 0.00 C ATOM 0 H LEU A 30 -3.025 -4.321 -0.486 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.089 -1.682 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.428 -2.928 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.738 -1.214 0.496 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.820 -2.033 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.352 -4.117 3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.559 -4.408 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.928 -4.398 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.426 -1.977 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.968 -2.174 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.961 -0.705 2.766 1.00 0.00 H new ATOM 433 N ARG A 31 -1.577 -2.274 -2.506 1.00 0.00 N ATOM 434 CA ARG A 31 -0.890 -1.764 -3.686 1.00 0.00 C ATOM 435 C ARG A 31 -1.853 -0.996 -4.587 1.00 0.00 C ATOM 436 O ARG A 31 -1.574 0.132 -4.991 1.00 0.00 O ATOM 437 CB ARG A 31 -0.252 -2.914 -4.467 1.00 0.00 C ATOM 438 CG ARG A 31 1.156 -3.256 -4.007 1.00 0.00 C ATOM 439 CD ARG A 31 1.674 -4.514 -4.685 1.00 0.00 C ATOM 440 NE ARG A 31 2.234 -4.234 -6.005 1.00 0.00 N ATOM 441 CZ ARG A 31 2.510 -5.174 -6.901 1.00 0.00 C ATOM 442 NH1 ARG A 31 2.278 -6.449 -6.622 1.00 0.00 N ATOM 443 NH2 ARG A 31 3.018 -4.840 -8.080 1.00 0.00 N ATOM 0 H ARG A 31 -1.242 -3.181 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.108 -1.081 -3.353 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.881 -3.799 -4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.226 -2.653 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.824 -2.423 -4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.163 -3.395 -2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.437 -4.976 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.862 -5.234 -4.781 1.00 0.00 H new ATOM 0 HE ARG A 31 2.423 -3.263 -6.252 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.886 -6.710 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.491 -7.169 -7.312 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.197 -3.860 -8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.230 -5.563 -8.767 1.00 0.00 H new ATOM 457 N ARG A 32 -2.987 -1.616 -4.897 1.00 0.00 N ATOM 458 CA ARG A 32 -3.990 -0.992 -5.751 1.00 0.00 C ATOM 459 C ARG A 32 -4.431 0.352 -5.179 1.00 0.00 C ATOM 460 O ARG A 32 -4.458 1.361 -5.885 1.00 0.00 O ATOM 461 CB ARG A 32 -5.201 -1.914 -5.908 1.00 0.00 C ATOM 462 CG ARG A 32 -5.104 -2.849 -7.102 1.00 0.00 C ATOM 463 CD ARG A 32 -5.737 -2.236 -8.342 1.00 0.00 C ATOM 464 NE ARG A 32 -5.450 -3.014 -9.544 1.00 0.00 N ATOM 465 CZ ARG A 32 -4.269 -3.017 -10.153 1.00 0.00 C ATOM 466 NH1 ARG A 32 -3.271 -2.288 -9.675 1.00 0.00 N ATOM 467 NH2 ARG A 32 -4.085 -3.752 -11.243 1.00 0.00 N ATOM 0 H ARG A 32 -3.234 -2.550 -4.569 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.542 -0.821 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -5.315 -2.508 -5.001 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.100 -1.305 -6.006 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.057 -3.078 -7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.598 -3.792 -6.868 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -6.816 -2.169 -8.203 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.368 -1.219 -8.472 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.197 -3.586 -9.938 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.408 -1.722 -8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.366 -2.292 -10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.851 -4.315 -11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -3.178 -3.754 -11.710 1.00 0.00 H new ATOM 481 N LEU A 33 -4.776 0.358 -3.896 1.00 0.00 N ATOM 482 CA LEU A 33 -5.216 1.579 -3.228 1.00 0.00 C ATOM 483 C LEU A 33 -4.134 2.652 -3.286 1.00 0.00 C ATOM 484 O LEU A 33 -4.422 3.844 -3.181 1.00 0.00 O ATOM 485 CB LEU A 33 -5.580 1.284 -1.772 1.00 0.00 C ATOM 486 CG LEU A 33 -6.747 0.320 -1.554 1.00 0.00 C ATOM 487 CD1 LEU A 33 -6.567 -0.452 -0.256 1.00 0.00 C ATOM 488 CD2 LEU A 33 -8.068 1.075 -1.549 1.00 0.00 C ATOM 0 H LEU A 33 -4.760 -0.468 -3.298 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.098 1.951 -3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.700 0.876 -1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.817 2.227 -1.279 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.762 -0.394 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.407 -1.133 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.640 -1.024 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.525 0.246 0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.887 0.373 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.063 1.812 -0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.201 1.581 -2.505 1.00 0.00 H new ATOM 500 N SER A 34 -2.888 2.221 -3.457 1.00 0.00 N ATOM 501 CA SER A 34 -1.762 3.145 -3.528 1.00 0.00 C ATOM 502 C SER A 34 -1.540 3.621 -4.960 1.00 0.00 C ATOM 503 O SER A 34 -1.269 4.798 -5.199 1.00 0.00 O ATOM 504 CB SER A 34 -0.493 2.476 -2.997 1.00 0.00 C ATOM 505 OG SER A 34 0.075 1.615 -3.969 1.00 0.00 O ATOM 0 H SER A 34 -2.633 1.238 -3.549 1.00 0.00 H new ATOM 0 HA SER A 34 -1.994 4.011 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.233 3.239 -2.714 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.727 1.908 -2.096 1.00 0.00 H new ATOM 0 HG SER A 34 -0.607 0.988 -4.289 1.00 0.00 H new ATOM 511 N ASP A 35 -1.656 2.698 -5.908 1.00 0.00 N ATOM 512 CA ASP A 35 -1.469 3.022 -7.318 1.00 0.00 C ATOM 513 C ASP A 35 -2.564 3.964 -7.809 1.00 0.00 C ATOM 514 O ASP A 35 -2.336 4.787 -8.694 1.00 0.00 O ATOM 515 CB ASP A 35 -1.461 1.745 -8.160 1.00 0.00 C ATOM 516 CG ASP A 35 -1.439 2.033 -9.648 1.00 0.00 C ATOM 517 OD1 ASP A 35 -0.886 3.082 -10.041 1.00 0.00 O ATOM 518 OD2 ASP A 35 -1.972 1.210 -10.420 1.00 0.00 O ATOM 0 H ASP A 35 -1.879 1.719 -5.726 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.508 3.524 -7.426 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.590 1.145 -7.896 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.343 1.150 -7.921 1.00 0.00 H new ATOM 523 N ASN A 36 -3.752 3.835 -7.228 1.00 0.00 N ATOM 524 CA ASN A 36 -4.883 4.674 -7.608 1.00 0.00 C ATOM 525 C ASN A 36 -4.807 6.033 -6.920 1.00 0.00 C ATOM 526 O ASN A 36 -5.371 7.017 -7.402 1.00 0.00 O ATOM 527 CB ASN A 36 -6.200 3.982 -7.251 1.00 0.00 C ATOM 528 CG ASN A 36 -6.693 3.069 -8.358 1.00 0.00 C ATOM 529 OD1 ASN A 36 -6.099 2.025 -8.627 1.00 0.00 O ATOM 530 ND2 ASN A 36 -7.783 3.461 -9.007 1.00 0.00 N ATOM 0 H ASN A 36 -3.957 3.158 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.842 4.830 -8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.066 3.402 -6.338 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.958 4.736 -7.041 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.160 2.889 -9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.243 4.334 -8.750 1.00 0.00 H new ATOM 537 N CYS A 37 -4.108 6.081 -5.792 1.00 0.00 N ATOM 538 CA CYS A 37 -3.958 7.320 -5.037 1.00 0.00 C ATOM 539 C CYS A 37 -2.544 7.874 -5.176 1.00 0.00 C ATOM 540 O CYS A 37 -2.126 8.738 -4.406 1.00 0.00 O ATOM 541 CB CYS A 37 -4.284 7.085 -3.561 1.00 0.00 C ATOM 542 SG CYS A 37 -5.888 6.300 -3.276 1.00 0.00 S ATOM 0 H CYS A 37 -3.636 5.276 -5.380 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.657 8.051 -5.444 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.504 6.463 -3.122 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.261 8.041 -3.038 1.00 0.00 H new ATOM 0 HG CYS A 37 -5.725 5.018 -3.133 1.00 0.00 H new ATOM 548 N GLY A 38 -1.810 7.368 -6.163 1.00 0.00 N ATOM 549 CA GLY A 38 -0.450 7.823 -6.383 1.00 0.00 C ATOM 550 C GLY A 38 0.467 7.493 -5.222 1.00 0.00 C ATOM 551 O GLY A 38 0.932 8.386 -4.515 1.00 0.00 O ATOM 0 H GLY A 38 -2.133 6.652 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.060 7.365 -7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.453 8.901 -6.545 1.00 0.00 H new ATOM 555 N GLY A 39 0.728 6.204 -5.024 1.00 0.00 N ATOM 556 CA GLY A 39 1.593 5.781 -3.939 1.00 0.00 C ATOM 557 C GLY A 39 2.184 4.404 -4.171 1.00 0.00 C ATOM 558 O GLY A 39 1.876 3.748 -5.166 1.00 0.00 O ATOM 0 H GLY A 39 0.356 5.446 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.400 6.504 -3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.027 5.778 -3.007 1.00 0.00 H new ATOM 562 N LYS A 40 3.036 3.965 -3.251 1.00 0.00 N ATOM 563 CA LYS A 40 3.673 2.658 -3.360 1.00 0.00 C ATOM 564 C LYS A 40 3.971 2.081 -1.979 1.00 0.00 C ATOM 565 O LYS A 40 4.767 2.637 -1.222 1.00 0.00 O ATOM 566 CB LYS A 40 4.967 2.763 -4.170 1.00 0.00 C ATOM 567 CG LYS A 40 5.543 1.417 -4.574 1.00 0.00 C ATOM 568 CD LYS A 40 6.727 1.577 -5.513 1.00 0.00 C ATOM 569 CE LYS A 40 7.598 0.330 -5.529 1.00 0.00 C ATOM 570 NZ LYS A 40 7.051 -0.717 -6.436 1.00 0.00 N ATOM 0 H LYS A 40 3.301 4.495 -2.421 1.00 0.00 H new ATOM 0 HA LYS A 40 2.984 1.988 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.777 3.352 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.709 3.305 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.855 0.871 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.771 0.820 -5.059 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.368 1.784 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.324 2.435 -5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.606 0.595 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.678 -0.070 -4.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.673 -1.550 -6.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.099 -0.989 -6.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.999 -0.344 -7.405 1.00 0.00 H new ATOM 584 N VAL A 41 3.329 0.963 -1.658 1.00 0.00 N ATOM 585 CA VAL A 41 3.527 0.310 -0.370 1.00 0.00 C ATOM 586 C VAL A 41 4.998 -0.021 -0.142 1.00 0.00 C ATOM 587 O VAL A 41 5.497 -1.041 -0.619 1.00 0.00 O ATOM 588 CB VAL A 41 2.699 -0.984 -0.263 1.00 0.00 C ATOM 589 CG1 VAL A 41 2.849 -1.820 -1.525 1.00 0.00 C ATOM 590 CG2 VAL A 41 3.111 -1.780 0.966 1.00 0.00 C ATOM 0 H VAL A 41 2.667 0.490 -2.273 1.00 0.00 H new ATOM 0 HA VAL A 41 3.192 1.011 0.395 1.00 0.00 H new ATOM 0 HB VAL A 41 1.648 -0.715 -0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.257 -2.730 -1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.500 -1.247 -2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.898 -2.082 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.516 -2.691 1.026 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.167 -2.041 0.894 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.946 -1.179 1.861 1.00 0.00 H new ATOM 600 N LEU A 42 5.687 0.848 0.590 1.00 0.00 N ATOM 601 CA LEU A 42 7.102 0.648 0.882 1.00 0.00 C ATOM 602 C LEU A 42 7.340 -0.719 1.516 1.00 0.00 C ATOM 603 O LEU A 42 8.145 -1.510 1.025 1.00 0.00 O ATOM 604 CB LEU A 42 7.611 1.750 1.814 1.00 0.00 C ATOM 605 CG LEU A 42 7.656 3.160 1.223 1.00 0.00 C ATOM 606 CD1 LEU A 42 8.689 4.009 1.948 1.00 0.00 C ATOM 607 CD2 LEU A 42 7.960 3.104 -0.267 1.00 0.00 C ATOM 0 H LEU A 42 5.289 1.697 0.992 1.00 0.00 H new ATOM 0 HA LEU A 42 7.651 0.692 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.978 1.769 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.615 1.484 2.145 1.00 0.00 H new ATOM 0 HG LEU A 42 6.678 3.621 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.707 5.009 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.428 4.076 3.004 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.673 3.551 1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.988 4.116 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.926 2.624 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.184 2.532 -0.775 1.00 0.00 H new ATOM 619 N SER A 43 6.632 -0.990 2.608 1.00 0.00 N ATOM 620 CA SER A 43 6.767 -2.261 3.310 1.00 0.00 C ATOM 621 C SER A 43 5.522 -2.559 4.139 1.00 0.00 C ATOM 622 O SER A 43 4.605 -1.740 4.218 1.00 0.00 O ATOM 623 CB SER A 43 8.002 -2.241 4.213 1.00 0.00 C ATOM 624 OG SER A 43 9.168 -2.595 3.490 1.00 0.00 O ATOM 0 H SER A 43 5.959 -0.347 3.025 1.00 0.00 H new ATOM 0 HA SER A 43 6.883 -3.048 2.565 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.125 -1.247 4.644 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.861 -2.933 5.043 1.00 0.00 H new ATOM 0 HG SER A 43 9.039 -2.391 2.540 1.00 0.00 H new ATOM 630 N ILE A 44 5.496 -3.736 4.755 1.00 0.00 N ATOM 631 CA ILE A 44 4.364 -4.142 5.579 1.00 0.00 C ATOM 632 C ILE A 44 4.828 -4.923 6.804 1.00 0.00 C ATOM 633 O ILE A 44 5.271 -6.067 6.694 1.00 0.00 O ATOM 634 CB ILE A 44 3.368 -5.004 4.782 1.00 0.00 C ATOM 635 CG1 ILE A 44 2.699 -4.168 3.688 1.00 0.00 C ATOM 636 CG2 ILE A 44 2.323 -5.602 5.711 1.00 0.00 C ATOM 637 CD1 ILE A 44 2.311 -4.972 2.466 1.00 0.00 C ATOM 0 H ILE A 44 6.246 -4.425 4.699 1.00 0.00 H new ATOM 0 HA ILE A 44 3.864 -3.228 5.901 1.00 0.00 H new ATOM 0 HB ILE A 44 3.914 -5.820 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.808 -3.693 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.376 -3.369 3.387 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.626 -6.209 5.132 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.814 -6.226 6.457 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.778 -4.800 6.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.843 -4.316 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.202 -5.425 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.609 -5.755 2.753 1.00 0.00 H new ATOM 649 N THR A 45 4.722 -4.299 7.973 1.00 0.00 N ATOM 650 CA THR A 45 5.130 -4.935 9.219 1.00 0.00 C ATOM 651 C THR A 45 3.925 -5.236 10.103 1.00 0.00 C ATOM 652 O THR A 45 3.035 -4.401 10.261 1.00 0.00 O ATOM 653 CB THR A 45 6.119 -4.052 10.003 1.00 0.00 C ATOM 654 OG1 THR A 45 5.409 -3.035 10.717 1.00 0.00 O ATOM 655 CG2 THR A 45 7.130 -3.409 9.066 1.00 0.00 C ATOM 0 H THR A 45 4.357 -3.353 8.083 1.00 0.00 H new ATOM 0 HA THR A 45 5.623 -5.869 8.950 1.00 0.00 H new ATOM 0 HB THR A 45 6.654 -4.685 10.711 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.045 -2.479 11.214 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.818 -2.790 9.642 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.690 -4.186 8.546 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.608 -2.789 8.337 1.00 0.00 H new ATOM 663 N GLY A 46 3.903 -6.435 10.678 1.00 0.00 N ATOM 664 CA GLY A 46 2.802 -6.824 11.539 1.00 0.00 C ATOM 665 C GLY A 46 1.452 -6.448 10.961 1.00 0.00 C ATOM 666 O GLY A 46 1.177 -6.708 9.789 1.00 0.00 O ATOM 0 H GLY A 46 4.628 -7.143 10.563 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.836 -7.901 11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.922 -6.349 12.513 1.00 0.00 H new ATOM 670 N CYS A 47 0.607 -5.837 11.784 1.00 0.00 N ATOM 671 CA CYS A 47 -0.723 -5.427 11.348 1.00 0.00 C ATOM 672 C CYS A 47 -0.708 -3.991 10.832 1.00 0.00 C ATOM 673 O CYS A 47 -1.748 -3.337 10.758 1.00 0.00 O ATOM 674 CB CYS A 47 -1.722 -5.558 12.498 1.00 0.00 C ATOM 675 SG CYS A 47 -1.108 -4.945 14.084 1.00 0.00 S ATOM 0 H CYS A 47 0.819 -5.615 12.757 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.030 -6.083 10.533 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.631 -5.016 12.239 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.997 -6.607 12.608 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.025 -5.097 14.993 1.00 0.00 H new ATOM 681 N SER A 48 0.479 -3.507 10.480 1.00 0.00 N ATOM 682 CA SER A 48 0.630 -2.147 9.977 1.00 0.00 C ATOM 683 C SER A 48 1.371 -2.140 8.643 1.00 0.00 C ATOM 684 O SER A 48 1.906 -3.162 8.212 1.00 0.00 O ATOM 685 CB SER A 48 1.381 -1.285 10.994 1.00 0.00 C ATOM 686 OG SER A 48 2.560 -1.933 11.440 1.00 0.00 O ATOM 0 H SER A 48 1.349 -4.036 10.534 1.00 0.00 H new ATOM 0 HA SER A 48 -0.365 -1.731 9.822 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.637 -0.326 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.734 -1.074 11.845 1.00 0.00 H new ATOM 0 HG SER A 48 2.741 -2.711 10.872 1.00 0.00 H new ATOM 692 N ALA A 49 1.397 -0.981 7.993 1.00 0.00 N ATOM 693 CA ALA A 49 2.073 -0.840 6.710 1.00 0.00 C ATOM 694 C ALA A 49 2.544 0.594 6.492 1.00 0.00 C ATOM 695 O ALA A 49 2.048 1.524 7.130 1.00 0.00 O ATOM 696 CB ALA A 49 1.153 -1.272 5.578 1.00 0.00 C ATOM 0 H ALA A 49 0.957 -0.126 8.334 1.00 0.00 H new ATOM 0 HA ALA A 49 2.951 -1.486 6.717 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.671 -1.161 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.869 -2.315 5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.258 -0.650 5.579 1.00 0.00 H new ATOM 702 N ILE A 50 3.503 0.766 5.589 1.00 0.00 N ATOM 703 CA ILE A 50 4.040 2.088 5.288 1.00 0.00 C ATOM 704 C ILE A 50 4.094 2.330 3.784 1.00 0.00 C ATOM 705 O ILE A 50 4.723 1.572 3.043 1.00 0.00 O ATOM 706 CB ILE A 50 5.452 2.269 5.876 1.00 0.00 C ATOM 707 CG1 ILE A 50 5.408 2.176 7.403 1.00 0.00 C ATOM 708 CG2 ILE A 50 6.042 3.601 5.438 1.00 0.00 C ATOM 709 CD1 ILE A 50 6.775 2.213 8.050 1.00 0.00 C ATOM 0 H ILE A 50 3.924 0.007 5.053 1.00 0.00 H new ATOM 0 HA ILE A 50 3.368 2.813 5.747 1.00 0.00 H new ATOM 0 HB ILE A 50 6.091 1.470 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.808 2.999 7.792 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.905 1.252 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.040 3.714 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.104 3.631 4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.405 4.414 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.667 2.143 9.132 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.371 1.375 7.690 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.273 3.148 7.795 1.00 0.00 H new ATOM 721 N LEU A 51 3.431 3.391 3.337 1.00 0.00 N ATOM 722 CA LEU A 51 3.404 3.736 1.920 1.00 0.00 C ATOM 723 C LEU A 51 4.257 4.970 1.643 1.00 0.00 C ATOM 724 O LEU A 51 4.724 5.634 2.568 1.00 0.00 O ATOM 725 CB LEU A 51 1.966 3.983 1.462 1.00 0.00 C ATOM 726 CG LEU A 51 1.024 2.780 1.529 1.00 0.00 C ATOM 727 CD1 LEU A 51 0.334 2.717 2.883 1.00 0.00 C ATOM 728 CD2 LEU A 51 -0.002 2.843 0.407 1.00 0.00 C ATOM 0 H LEU A 51 2.905 4.027 3.936 1.00 0.00 H new ATOM 0 HA LEU A 51 3.818 2.898 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.545 4.783 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.990 4.343 0.434 1.00 0.00 H new ATOM 0 HG LEU A 51 1.615 1.873 1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.332 1.855 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.083 2.623 3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.244 3.628 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.664 1.979 0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.588 3.757 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.510 2.838 -0.555 1.00 0.00 H new ATOM 740 N ARG A 52 4.454 5.272 0.364 1.00 0.00 N ATOM 741 CA ARG A 52 5.249 6.426 -0.035 1.00 0.00 C ATOM 742 C ARG A 52 4.528 7.240 -1.106 1.00 0.00 C ATOM 743 O ARG A 52 4.333 6.774 -2.229 1.00 0.00 O ATOM 744 CB ARG A 52 6.615 5.976 -0.556 1.00 0.00 C ATOM 745 CG ARG A 52 7.459 7.111 -1.114 1.00 0.00 C ATOM 746 CD ARG A 52 8.327 7.742 -0.036 1.00 0.00 C ATOM 747 NE ARG A 52 9.629 7.089 0.069 1.00 0.00 N ATOM 748 CZ ARG A 52 10.564 7.159 -0.873 1.00 0.00 C ATOM 749 NH1 ARG A 52 10.341 7.848 -1.983 1.00 0.00 N ATOM 750 NH2 ARG A 52 11.725 6.538 -0.705 1.00 0.00 N ATOM 0 H ARG A 52 4.074 4.733 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 52 5.392 7.057 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.162 5.492 0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.469 5.227 -1.334 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.092 6.734 -1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.809 7.870 -1.549 1.00 0.00 H new ATOM 0 HD2 ARG A 52 8.469 8.800 -0.258 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.813 7.683 0.924 1.00 0.00 H new ATOM 0 HE ARG A 52 9.832 6.550 0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.450 8.326 -2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.060 7.900 -2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.900 6.006 0.148 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.442 6.592 -1.429 1.00 0.00 H new ATOM 764 N PHE A 53 4.133 8.458 -0.750 1.00 0.00 N ATOM 765 CA PHE A 53 3.432 9.336 -1.679 1.00 0.00 C ATOM 766 C PHE A 53 4.318 10.507 -2.094 1.00 0.00 C ATOM 767 O PHE A 53 5.159 10.967 -1.322 1.00 0.00 O ATOM 768 CB PHE A 53 2.141 9.858 -1.045 1.00 0.00 C ATOM 769 CG PHE A 53 1.120 8.785 -0.793 1.00 0.00 C ATOM 770 CD1 PHE A 53 1.247 7.931 0.290 1.00 0.00 C ATOM 771 CD2 PHE A 53 0.035 8.630 -1.640 1.00 0.00 C ATOM 772 CE1 PHE A 53 0.310 6.943 0.526 1.00 0.00 C ATOM 773 CE2 PHE A 53 -0.906 7.644 -1.410 1.00 0.00 C ATOM 774 CZ PHE A 53 -0.767 6.799 -0.326 1.00 0.00 C ATOM 0 H PHE A 53 4.287 8.859 0.175 1.00 0.00 H new ATOM 0 HA PHE A 53 3.183 8.758 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 53 2.381 10.348 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.706 10.616 -1.697 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.089 8.039 0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.077 9.287 -2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.420 6.285 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.749 7.534 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.500 6.027 -0.145 1.00 0.00 H new ATOM 784 N ILE A 54 4.122 10.984 -3.319 1.00 0.00 N ATOM 785 CA ILE A 54 4.902 12.102 -3.837 1.00 0.00 C ATOM 786 C ILE A 54 4.663 13.365 -3.017 1.00 0.00 C ATOM 787 O ILE A 54 5.588 14.135 -2.762 1.00 0.00 O ATOM 788 CB ILE A 54 4.564 12.388 -5.312 1.00 0.00 C ATOM 789 CG1 ILE A 54 5.232 13.687 -5.767 1.00 0.00 C ATOM 790 CG2 ILE A 54 3.057 12.465 -5.505 1.00 0.00 C ATOM 791 CD1 ILE A 54 5.591 13.699 -7.237 1.00 0.00 C ATOM 0 H ILE A 54 3.430 10.614 -3.971 1.00 0.00 H new ATOM 0 HA ILE A 54 5.951 11.817 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 54 4.947 11.571 -5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.564 14.522 -5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.136 13.847 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.834 12.668 -6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.604 11.517 -5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.651 13.266 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.060 14.650 -7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.284 12.885 -7.449 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.688 13.571 -7.833 1.00 0.00 H new ATOM 803 N ASN A 55 3.416 13.571 -2.607 1.00 0.00 N ATOM 804 CA ASN A 55 3.055 14.741 -1.814 1.00 0.00 C ATOM 805 C ASN A 55 1.864 14.439 -0.910 1.00 0.00 C ATOM 806 O ASN A 55 1.143 13.465 -1.122 1.00 0.00 O ATOM 807 CB ASN A 55 2.727 15.921 -2.731 1.00 0.00 C ATOM 808 CG ASN A 55 1.697 15.566 -3.785 1.00 0.00 C ATOM 809 OD1 ASN A 55 0.567 15.195 -3.465 1.00 0.00 O ATOM 810 ND2 ASN A 55 2.083 15.679 -5.051 1.00 0.00 N ATOM 0 H ASN A 55 2.638 12.943 -2.811 1.00 0.00 H new ATOM 0 HA ASN A 55 3.907 15.002 -1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.357 16.752 -2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.640 16.262 -3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.433 15.454 -5.804 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.029 15.990 -5.270 1.00 0.00 H new ATOM 817 N GLN A 56 1.665 15.282 0.099 1.00 0.00 N ATOM 818 CA GLN A 56 0.562 15.105 1.036 1.00 0.00 C ATOM 819 C GLN A 56 -0.742 14.831 0.295 1.00 0.00 C ATOM 820 O GLN A 56 -1.353 13.775 0.461 1.00 0.00 O ATOM 821 CB GLN A 56 0.411 16.344 1.919 1.00 0.00 C ATOM 822 CG GLN A 56 -0.796 16.291 2.841 1.00 0.00 C ATOM 823 CD GLN A 56 -0.686 17.259 4.003 1.00 0.00 C ATOM 824 OE1 GLN A 56 0.188 18.126 4.022 1.00 0.00 O ATOM 825 NE2 GLN A 56 -1.574 17.116 4.979 1.00 0.00 N ATOM 0 H GLN A 56 2.253 16.094 0.288 1.00 0.00 H new ATOM 0 HA GLN A 56 0.788 14.245 1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.312 16.463 2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.333 17.226 1.283 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.696 16.517 2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.910 15.278 3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.281 16.383 4.922 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.549 17.739 5.786 1.00 0.00 H new ATOM 834 N ASP A 57 -1.165 15.790 -0.522 1.00 0.00 N ATOM 835 CA ASP A 57 -2.397 15.652 -1.289 1.00 0.00 C ATOM 836 C ASP A 57 -2.612 14.204 -1.718 1.00 0.00 C ATOM 837 O ASP A 57 -3.618 13.586 -1.368 1.00 0.00 O ATOM 838 CB ASP A 57 -2.362 16.561 -2.519 1.00 0.00 C ATOM 839 CG ASP A 57 -3.746 16.991 -2.962 1.00 0.00 C ATOM 840 OD1 ASP A 57 -4.661 17.012 -2.112 1.00 0.00 O ATOM 841 OD2 ASP A 57 -3.915 17.308 -4.157 1.00 0.00 O ATOM 0 H ASP A 57 -0.673 16.671 -0.670 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.228 15.950 -0.650 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -1.764 17.445 -2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.867 16.039 -3.338 1.00 0.00 H new ATOM 846 N SER A 58 -1.662 13.669 -2.477 1.00 0.00 N ATOM 847 CA SER A 58 -1.749 12.295 -2.957 1.00 0.00 C ATOM 848 C SER A 58 -1.894 11.321 -1.792 1.00 0.00 C ATOM 849 O SER A 58 -2.609 10.324 -1.888 1.00 0.00 O ATOM 850 CB SER A 58 -0.510 11.941 -3.782 1.00 0.00 C ATOM 851 OG SER A 58 -0.613 12.449 -5.101 1.00 0.00 O ATOM 0 H SER A 58 -0.822 14.166 -2.773 1.00 0.00 H new ATOM 0 HA SER A 58 -2.633 12.212 -3.589 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.379 12.348 -3.301 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.388 10.858 -3.814 1.00 0.00 H new ATOM 0 HG SER A 58 0.192 12.211 -5.607 1.00 0.00 H new ATOM 857 N ALA A 59 -1.210 11.618 -0.692 1.00 0.00 N ATOM 858 CA ALA A 59 -1.263 10.771 0.493 1.00 0.00 C ATOM 859 C ALA A 59 -2.610 10.895 1.197 1.00 0.00 C ATOM 860 O ALA A 59 -3.047 9.975 1.887 1.00 0.00 O ATOM 861 CB ALA A 59 -0.132 11.125 1.446 1.00 0.00 C ATOM 0 H ALA A 59 -0.612 12.439 -0.597 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.144 9.735 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.184 10.484 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.825 10.977 0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.225 12.168 1.750 1.00 0.00 H new ATOM 867 N GLU A 60 -3.262 12.040 1.018 1.00 0.00 N ATOM 868 CA GLU A 60 -4.559 12.284 1.639 1.00 0.00 C ATOM 869 C GLU A 60 -5.643 11.430 0.989 1.00 0.00 C ATOM 870 O GLU A 60 -6.224 10.553 1.629 1.00 0.00 O ATOM 871 CB GLU A 60 -4.929 13.765 1.532 1.00 0.00 C ATOM 872 CG GLU A 60 -3.912 14.695 2.172 1.00 0.00 C ATOM 873 CD GLU A 60 -4.534 15.983 2.675 1.00 0.00 C ATOM 874 OE1 GLU A 60 -5.727 15.960 3.043 1.00 0.00 O ATOM 875 OE2 GLU A 60 -3.829 17.013 2.701 1.00 0.00 O ATOM 0 H GLU A 60 -2.914 12.812 0.449 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.487 12.009 2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.038 14.028 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.900 13.923 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.428 14.181 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.134 14.931 1.446 1.00 0.00 H new ATOM 882 N ARG A 61 -5.910 11.692 -0.286 1.00 0.00 N ATOM 883 CA ARG A 61 -6.925 10.949 -1.023 1.00 0.00 C ATOM 884 C ARG A 61 -6.902 9.472 -0.640 1.00 0.00 C ATOM 885 O ARG A 61 -7.919 8.784 -0.720 1.00 0.00 O ATOM 886 CB ARG A 61 -6.705 11.099 -2.529 1.00 0.00 C ATOM 887 CG ARG A 61 -6.810 12.534 -3.020 1.00 0.00 C ATOM 888 CD ARG A 61 -6.923 12.599 -4.535 1.00 0.00 C ATOM 889 NE ARG A 61 -8.313 12.548 -4.982 1.00 0.00 N ATOM 890 CZ ARG A 61 -8.695 12.819 -6.225 1.00 0.00 C ATOM 891 NH1 ARG A 61 -7.796 13.157 -7.140 1.00 0.00 N ATOM 892 NH2 ARG A 61 -9.978 12.751 -6.556 1.00 0.00 N ATOM 0 H ARG A 61 -5.437 12.414 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.900 11.360 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.720 10.708 -2.785 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.438 10.489 -3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.680 13.011 -2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.934 13.096 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.460 13.518 -4.894 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.370 11.770 -4.976 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.029 12.290 -4.303 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.809 13.209 -6.890 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.092 13.365 -8.094 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.672 12.490 -5.856 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.270 12.959 -7.511 1.00 0.00 H new ATOM 906 N ALA A 62 -5.734 8.991 -0.225 1.00 0.00 N ATOM 907 CA ALA A 62 -5.579 7.597 0.171 1.00 0.00 C ATOM 908 C ALA A 62 -5.885 7.411 1.654 1.00 0.00 C ATOM 909 O ALA A 62 -6.547 6.449 2.043 1.00 0.00 O ATOM 910 CB ALA A 62 -4.172 7.112 -0.145 1.00 0.00 C ATOM 0 H ALA A 62 -4.882 9.547 -0.155 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.293 7.001 -0.398 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.070 6.069 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.989 7.200 -1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -3.447 7.719 0.398 1.00 0.00 H new ATOM 916 N GLN A 63 -5.398 8.336 2.474 1.00 0.00 N ATOM 917 CA GLN A 63 -5.619 8.271 3.914 1.00 0.00 C ATOM 918 C GLN A 63 -7.100 8.418 4.245 1.00 0.00 C ATOM 919 O GLN A 63 -7.581 7.884 5.245 1.00 0.00 O ATOM 920 CB GLN A 63 -4.815 9.362 4.624 1.00 0.00 C ATOM 921 CG GLN A 63 -4.867 9.266 6.141 1.00 0.00 C ATOM 922 CD GLN A 63 -6.037 10.026 6.734 1.00 0.00 C ATOM 923 OE1 GLN A 63 -6.732 10.763 6.034 1.00 0.00 O ATOM 924 NE2 GLN A 63 -6.260 9.851 8.031 1.00 0.00 N ATOM 0 H GLN A 63 -4.848 9.138 2.167 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.283 7.295 4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.776 9.305 4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.192 10.338 4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.934 8.218 6.433 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.938 9.654 6.558 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.658 9.230 8.573 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.033 10.337 8.486 1.00 0.00 H new ATOM 933 N LYS A 64 -7.821 9.147 3.399 1.00 0.00 N ATOM 934 CA LYS A 64 -9.249 9.364 3.600 1.00 0.00 C ATOM 935 C LYS A 64 -10.061 8.206 3.030 1.00 0.00 C ATOM 936 O LYS A 64 -11.202 7.979 3.432 1.00 0.00 O ATOM 937 CB LYS A 64 -9.682 10.677 2.944 1.00 0.00 C ATOM 938 CG LYS A 64 -9.627 10.646 1.426 1.00 0.00 C ATOM 939 CD LYS A 64 -10.945 10.180 0.830 1.00 0.00 C ATOM 940 CE LYS A 64 -11.979 11.295 0.823 1.00 0.00 C ATOM 941 NZ LYS A 64 -12.954 11.140 -0.292 1.00 0.00 N ATOM 0 H LYS A 64 -7.439 9.598 2.567 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.436 9.421 4.672 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.699 10.912 3.258 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.043 11.482 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.388 11.640 1.049 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.826 9.981 1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.781 9.828 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.325 9.334 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.512 11.302 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.475 12.257 0.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.642 11.919 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.448 11.159 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.454 10.233 -0.193 1.00 0.00 H new ATOM 955 N ARG A 65 -9.465 7.476 2.092 1.00 0.00 N ATOM 956 CA ARG A 65 -10.134 6.341 1.468 1.00 0.00 C ATOM 957 C ARG A 65 -9.857 5.055 2.240 1.00 0.00 C ATOM 958 O ARG A 65 -10.768 4.449 2.804 1.00 0.00 O ATOM 959 CB ARG A 65 -9.675 6.187 0.017 1.00 0.00 C ATOM 960 CG ARG A 65 -9.749 4.758 -0.497 1.00 0.00 C ATOM 961 CD ARG A 65 -11.169 4.216 -0.430 1.00 0.00 C ATOM 962 NE ARG A 65 -11.385 3.130 -1.382 1.00 0.00 N ATOM 963 CZ ARG A 65 -12.488 2.390 -1.415 1.00 0.00 C ATOM 964 NH1 ARG A 65 -13.469 2.619 -0.554 1.00 0.00 N ATOM 965 NH2 ARG A 65 -12.611 1.420 -2.312 1.00 0.00 N ATOM 0 H ARG A 65 -8.521 7.651 1.748 1.00 0.00 H new ATOM 0 HA ARG A 65 -11.207 6.530 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -10.289 6.825 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -8.648 6.543 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -9.392 4.721 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.088 4.123 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -11.374 3.859 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.875 5.022 -0.633 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.649 2.928 -2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.378 3.365 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.315 2.050 -0.581 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.858 1.242 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.458 0.852 -2.336 1.00 0.00 H new ATOM 979 N MET A 66 -8.593 4.643 2.260 1.00 0.00 N ATOM 980 CA MET A 66 -8.197 3.429 2.964 1.00 0.00 C ATOM 981 C MET A 66 -8.851 3.360 4.340 1.00 0.00 C ATOM 982 O MET A 66 -9.414 2.334 4.718 1.00 0.00 O ATOM 983 CB MET A 66 -6.674 3.370 3.106 1.00 0.00 C ATOM 984 CG MET A 66 -5.956 3.022 1.812 1.00 0.00 C ATOM 985 SD MET A 66 -4.236 2.551 2.078 1.00 0.00 S ATOM 986 CE MET A 66 -3.389 3.832 1.155 1.00 0.00 C ATOM 0 H MET A 66 -7.827 5.132 1.797 1.00 0.00 H new ATOM 0 HA MET A 66 -8.534 2.573 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.313 4.334 3.464 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.416 2.631 3.865 1.00 0.00 H new ATOM 0 HG2 MET A 66 -6.481 2.204 1.318 1.00 0.00 H new ATOM 0 HG3 MET A 66 -5.994 3.878 1.138 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.312 3.699 1.253 1.00 0.00 H new ATOM 0 HE2 MET A 66 -3.669 3.768 0.103 1.00 0.00 H new ATOM 0 HE3 MET A 66 -3.671 4.809 1.547 1.00 0.00 H new ATOM 996 N GLU A 67 -8.770 4.459 5.085 1.00 0.00 N ATOM 997 CA GLU A 67 -9.354 4.521 6.420 1.00 0.00 C ATOM 998 C GLU A 67 -10.712 3.826 6.453 1.00 0.00 C ATOM 999 O GLU A 67 -11.088 3.223 7.457 1.00 0.00 O ATOM 1000 CB GLU A 67 -9.502 5.976 6.868 1.00 0.00 C ATOM 1001 CG GLU A 67 -10.636 6.714 6.176 1.00 0.00 C ATOM 1002 CD GLU A 67 -11.086 7.943 6.942 1.00 0.00 C ATOM 1003 OE1 GLU A 67 -11.941 7.802 7.841 1.00 0.00 O ATOM 1004 OE2 GLU A 67 -10.581 9.045 6.642 1.00 0.00 O ATOM 0 H GLU A 67 -8.306 5.317 4.787 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.684 4.003 7.106 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.668 6.001 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.567 6.503 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.315 7.010 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.482 6.038 6.052 1.00 0.00 H new ATOM 1011 N ASN A 68 -11.443 3.916 5.346 1.00 0.00 N ATOM 1012 CA ASN A 68 -12.760 3.297 5.248 1.00 0.00 C ATOM 1013 C ASN A 68 -12.688 1.986 4.472 1.00 0.00 C ATOM 1014 O ASN A 68 -13.581 1.145 4.572 1.00 0.00 O ATOM 1015 CB ASN A 68 -13.745 4.251 4.570 1.00 0.00 C ATOM 1016 CG ASN A 68 -14.246 5.330 5.511 1.00 0.00 C ATOM 1017 OD1 ASN A 68 -13.623 6.381 5.655 1.00 0.00 O ATOM 1018 ND2 ASN A 68 -15.378 5.073 6.156 1.00 0.00 N ATOM 0 H ASN A 68 -11.146 4.411 4.505 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.110 3.082 6.258 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.262 4.717 3.711 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.593 3.682 4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.765 5.761 6.802 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.861 4.187 6.005 1.00 0.00 H new ATOM 1025 N GLU A 69 -11.619 1.819 3.700 1.00 0.00 N ATOM 1026 CA GLU A 69 -11.432 0.610 2.907 1.00 0.00 C ATOM 1027 C GLU A 69 -11.195 -0.600 3.806 1.00 0.00 C ATOM 1028 O GLU A 69 -10.547 -0.495 4.848 1.00 0.00 O ATOM 1029 CB GLU A 69 -10.254 0.781 1.945 1.00 0.00 C ATOM 1030 CG GLU A 69 -10.348 -0.092 0.705 1.00 0.00 C ATOM 1031 CD GLU A 69 -10.591 -1.552 1.037 1.00 0.00 C ATOM 1032 OE1 GLU A 69 -9.672 -2.197 1.583 1.00 0.00 O ATOM 1033 OE2 GLU A 69 -11.700 -2.048 0.750 1.00 0.00 O ATOM 0 H GLU A 69 -10.870 2.505 3.607 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.342 0.441 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.194 1.826 1.640 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.329 0.550 2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.155 0.272 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.426 -0.002 0.131 1.00 0.00 H new ATOM 1040 N ASP A 70 -11.726 -1.747 3.397 1.00 0.00 N ATOM 1041 CA ASP A 70 -11.574 -2.977 4.165 1.00 0.00 C ATOM 1042 C ASP A 70 -10.734 -3.995 3.399 1.00 0.00 C ATOM 1043 O ASP A 70 -11.251 -4.738 2.564 1.00 0.00 O ATOM 1044 CB ASP A 70 -12.944 -3.572 4.494 1.00 0.00 C ATOM 1045 CG ASP A 70 -13.606 -2.883 5.671 1.00 0.00 C ATOM 1046 OD1 ASP A 70 -13.174 -1.766 6.024 1.00 0.00 O ATOM 1047 OD2 ASP A 70 -14.555 -3.462 6.241 1.00 0.00 O ATOM 0 H ASP A 70 -12.266 -1.851 2.538 1.00 0.00 H new ATOM 0 HA ASP A 70 -11.060 -2.734 5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.591 -3.493 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -12.833 -4.634 4.714 1.00 0.00 H new ATOM 1052 N VAL A 71 -9.437 -4.022 3.688 1.00 0.00 N ATOM 1053 CA VAL A 71 -8.526 -4.949 3.026 1.00 0.00 C ATOM 1054 C VAL A 71 -9.143 -6.338 2.911 1.00 0.00 C ATOM 1055 O VAL A 71 -9.142 -6.943 1.839 1.00 0.00 O ATOM 1056 CB VAL A 71 -7.188 -5.054 3.781 1.00 0.00 C ATOM 1057 CG1 VAL A 71 -6.276 -6.072 3.112 1.00 0.00 C ATOM 1058 CG2 VAL A 71 -6.513 -3.693 3.861 1.00 0.00 C ATOM 0 H VAL A 71 -8.993 -3.413 4.376 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.341 -4.554 2.027 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.390 -5.394 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.335 -6.133 3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -6.759 -7.049 3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.079 -5.765 2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.569 -3.786 4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.323 -3.321 2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.163 -2.995 4.389 1.00 0.00 H new ATOM 1068 N PHE A 72 -9.670 -6.839 4.023 1.00 0.00 N ATOM 1069 CA PHE A 72 -10.291 -8.159 4.048 1.00 0.00 C ATOM 1070 C PHE A 72 -11.178 -8.320 5.279 1.00 0.00 C ATOM 1071 O PHE A 72 -10.689 -8.383 6.406 1.00 0.00 O ATOM 1072 CB PHE A 72 -9.219 -9.250 4.032 1.00 0.00 C ATOM 1073 CG PHE A 72 -8.487 -9.352 2.724 1.00 0.00 C ATOM 1074 CD1 PHE A 72 -9.182 -9.508 1.536 1.00 0.00 C ATOM 1075 CD2 PHE A 72 -7.103 -9.293 2.684 1.00 0.00 C ATOM 1076 CE1 PHE A 72 -8.511 -9.601 0.331 1.00 0.00 C ATOM 1077 CE2 PHE A 72 -6.427 -9.385 1.482 1.00 0.00 C ATOM 1078 CZ PHE A 72 -7.132 -9.541 0.304 1.00 0.00 C ATOM 0 H PHE A 72 -9.680 -6.351 4.919 1.00 0.00 H new ATOM 0 HA PHE A 72 -10.913 -8.257 3.158 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -8.500 -9.053 4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -9.685 -10.210 4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -10.261 -9.558 1.551 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -6.547 -9.174 3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -9.065 -9.720 -0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.348 -9.335 1.464 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.605 -9.616 -0.636 1.00 0.00 H new ATOM 1088 N GLY A 73 -12.487 -8.384 5.054 1.00 0.00 N ATOM 1089 CA GLY A 73 -13.422 -8.536 6.153 1.00 0.00 C ATOM 1090 C GLY A 73 -12.989 -7.778 7.392 1.00 0.00 C ATOM 1091 O GLY A 73 -13.298 -8.180 8.513 1.00 0.00 O ATOM 0 H GLY A 73 -12.916 -8.333 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -14.405 -8.184 5.841 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.524 -9.594 6.395 1.00 0.00 H new ATOM 1095 N ASN A 74 -12.268 -6.680 7.190 1.00 0.00 N ATOM 1096 CA ASN A 74 -11.789 -5.866 8.301 1.00 0.00 C ATOM 1097 C ASN A 74 -11.458 -4.451 7.835 1.00 0.00 C ATOM 1098 O ASN A 74 -11.066 -4.240 6.687 1.00 0.00 O ATOM 1099 CB ASN A 74 -10.553 -6.508 8.936 1.00 0.00 C ATOM 1100 CG ASN A 74 -9.611 -5.481 9.534 1.00 0.00 C ATOM 1101 OD1 ASN A 74 -9.809 -5.021 10.658 1.00 0.00 O ATOM 1102 ND2 ASN A 74 -8.579 -5.117 8.782 1.00 0.00 N ATOM 0 H ASN A 74 -12.003 -6.334 6.268 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.583 -5.808 9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.867 -7.205 9.713 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -10.021 -7.090 8.183 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -7.911 -4.430 9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -8.454 -5.525 7.855 1.00 0.00 H new ATOM 1109 N ARG A 75 -11.618 -3.485 8.734 1.00 0.00 N ATOM 1110 CA ARG A 75 -11.337 -2.091 8.416 1.00 0.00 C ATOM 1111 C ARG A 75 -9.919 -1.712 8.835 1.00 0.00 C ATOM 1112 O ARG A 75 -9.445 -2.121 9.895 1.00 0.00 O ATOM 1113 CB ARG A 75 -12.347 -1.174 9.108 1.00 0.00 C ATOM 1114 CG ARG A 75 -12.006 0.303 8.996 1.00 0.00 C ATOM 1115 CD ARG A 75 -11.101 0.754 10.132 1.00 0.00 C ATOM 1116 NE ARG A 75 -11.864 1.164 11.309 1.00 0.00 N ATOM 1117 CZ ARG A 75 -12.125 0.359 12.332 1.00 0.00 C ATOM 1118 NH1 ARG A 75 -11.687 -0.892 12.324 1.00 0.00 N ATOM 1119 NH2 ARG A 75 -12.826 0.805 13.367 1.00 0.00 N ATOM 0 H ARG A 75 -11.941 -3.643 9.689 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.424 -1.967 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.334 -1.344 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.408 -1.445 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.515 0.493 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.924 0.891 9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.426 -0.058 10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.481 1.585 9.794 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.215 2.121 11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -11.148 -1.239 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.889 -1.508 13.111 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -13.165 1.767 13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.026 0.186 14.152 1.00 0.00 H new ATOM 1133 N ILE A 76 -9.249 -0.931 7.995 1.00 0.00 N ATOM 1134 CA ILE A 76 -7.886 -0.497 8.279 1.00 0.00 C ATOM 1135 C ILE A 76 -7.850 0.972 8.686 1.00 0.00 C ATOM 1136 O ILE A 76 -8.751 1.742 8.349 1.00 0.00 O ATOM 1137 CB ILE A 76 -6.965 -0.704 7.062 1.00 0.00 C ATOM 1138 CG1 ILE A 76 -7.508 0.053 5.849 1.00 0.00 C ATOM 1139 CG2 ILE A 76 -6.826 -2.186 6.749 1.00 0.00 C ATOM 1140 CD1 ILE A 76 -6.780 -0.266 4.562 1.00 0.00 C ATOM 0 H ILE A 76 -9.627 -0.586 7.113 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.526 -1.109 9.106 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.978 -0.309 7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.565 -0.183 5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.440 1.124 6.039 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.172 -2.316 5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.399 -2.701 7.609 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.808 -2.605 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.218 0.306 3.745 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.727 -0.004 4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.869 -1.331 4.348 1.00 0.00 H new ATOM 1152 N ILE A 77 -6.804 1.354 9.409 1.00 0.00 N ATOM 1153 CA ILE A 77 -6.649 2.732 9.859 1.00 0.00 C ATOM 1154 C ILE A 77 -5.399 3.369 9.261 1.00 0.00 C ATOM 1155 O ILE A 77 -4.294 2.843 9.399 1.00 0.00 O ATOM 1156 CB ILE A 77 -6.570 2.817 11.395 1.00 0.00 C ATOM 1157 CG1 ILE A 77 -7.807 2.178 12.028 1.00 0.00 C ATOM 1158 CG2 ILE A 77 -6.430 4.266 11.839 1.00 0.00 C ATOM 1159 CD1 ILE A 77 -7.721 2.054 13.533 1.00 0.00 C ATOM 0 H ILE A 77 -6.051 0.729 9.696 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.530 3.276 9.518 1.00 0.00 H new ATOM 0 HB ILE A 77 -5.690 2.268 11.729 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -8.684 2.771 11.770 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -7.954 1.187 11.598 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.375 4.310 12.927 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.521 4.691 11.413 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.293 4.837 11.496 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -8.633 1.593 13.913 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -6.863 1.436 13.799 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -7.605 3.044 13.974 1.00 0.00 H new ATOM 1171 N VAL A 78 -5.581 4.506 8.596 1.00 0.00 N ATOM 1172 CA VAL A 78 -4.468 5.216 7.979 1.00 0.00 C ATOM 1173 C VAL A 78 -4.171 6.518 8.715 1.00 0.00 C ATOM 1174 O VAL A 78 -5.061 7.344 8.919 1.00 0.00 O ATOM 1175 CB VAL A 78 -4.754 5.530 6.498 1.00 0.00 C ATOM 1176 CG1 VAL A 78 -3.500 6.046 5.810 1.00 0.00 C ATOM 1177 CG2 VAL A 78 -5.294 4.298 5.788 1.00 0.00 C ATOM 0 H VAL A 78 -6.489 4.954 8.471 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.600 4.560 8.042 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.513 6.311 6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.721 6.262 4.765 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.162 6.956 6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.717 5.290 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.491 4.537 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.560 3.494 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.219 3.978 6.267 1.00 0.00 H new ATOM 1187 N SER A 79 -2.915 6.695 9.111 1.00 0.00 N ATOM 1188 CA SER A 79 -2.501 7.896 9.827 1.00 0.00 C ATOM 1189 C SER A 79 -1.163 8.408 9.302 1.00 0.00 C ATOM 1190 O SER A 79 -0.326 7.632 8.840 1.00 0.00 O ATOM 1191 CB SER A 79 -2.398 7.611 11.327 1.00 0.00 C ATOM 1192 OG SER A 79 -2.694 8.769 12.088 1.00 0.00 O ATOM 0 H SER A 79 -2.166 6.022 8.948 1.00 0.00 H new ATOM 0 HA SER A 79 -3.255 8.666 9.661 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.086 6.810 11.596 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.393 7.262 11.566 1.00 0.00 H new ATOM 0 HG SER A 79 -2.623 8.560 13.043 1.00 0.00 H new ATOM 1198 N PHE A 80 -0.968 9.720 9.377 1.00 0.00 N ATOM 1199 CA PHE A 80 0.267 10.338 8.909 1.00 0.00 C ATOM 1200 C PHE A 80 1.364 10.227 9.963 1.00 0.00 C ATOM 1201 O PHE A 80 2.553 10.289 9.648 1.00 0.00 O ATOM 1202 CB PHE A 80 0.027 11.808 8.559 1.00 0.00 C ATOM 1203 CG PHE A 80 -0.557 12.012 7.190 1.00 0.00 C ATOM 1204 CD1 PHE A 80 -1.696 11.327 6.800 1.00 0.00 C ATOM 1205 CD2 PHE A 80 0.034 12.888 6.294 1.00 0.00 C ATOM 1206 CE1 PHE A 80 -2.234 11.512 5.540 1.00 0.00 C ATOM 1207 CE2 PHE A 80 -0.500 13.077 5.034 1.00 0.00 C ATOM 1208 CZ PHE A 80 -1.636 12.389 4.657 1.00 0.00 C ATOM 0 H PHE A 80 -1.650 10.376 9.758 1.00 0.00 H new ATOM 0 HA PHE A 80 0.592 9.808 8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.643 12.245 9.300 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.972 12.348 8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.169 10.641 7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.922 13.429 6.584 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.121 10.971 5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.029 13.762 4.345 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.056 12.537 3.673 1.00 0.00 H new ATOM 1218 N THR A 81 0.957 10.062 11.218 1.00 0.00 N ATOM 1219 CA THR A 81 1.903 9.944 12.319 1.00 0.00 C ATOM 1220 C THR A 81 1.869 8.546 12.926 1.00 0.00 C ATOM 1221 O THR A 81 0.891 7.809 12.793 1.00 0.00 O ATOM 1222 CB THR A 81 1.612 10.978 13.423 1.00 0.00 C ATOM 1223 OG1 THR A 81 0.199 11.170 13.555 1.00 0.00 O ATOM 1224 CG2 THR A 81 2.282 12.307 13.110 1.00 0.00 C ATOM 0 H THR A 81 -0.023 10.007 11.496 1.00 0.00 H new ATOM 0 HA THR A 81 2.894 10.134 11.906 1.00 0.00 H new ATOM 0 HB THR A 81 2.016 10.598 14.361 1.00 0.00 H new ATOM 0 HG1 THR A 81 0.023 11.827 14.260 1.00 0.00 H new ATOM 0 HG21 THR A 81 2.062 13.021 13.904 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.360 12.163 13.040 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.904 12.690 12.162 1.00 0.00 H new ATOM 1232 N PRO A 82 2.959 8.170 13.611 1.00 0.00 N ATOM 1233 CA PRO A 82 3.077 6.858 14.253 1.00 0.00 C ATOM 1234 C PRO A 82 2.153 6.717 15.458 1.00 0.00 C ATOM 1235 O PRO A 82 1.946 7.670 16.210 1.00 0.00 O ATOM 1236 CB PRO A 82 4.542 6.809 14.695 1.00 0.00 C ATOM 1237 CG PRO A 82 4.939 8.237 14.849 1.00 0.00 C ATOM 1238 CD PRO A 82 4.161 8.997 13.810 1.00 0.00 C ATOM 0 HA PRO A 82 2.793 6.049 13.580 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.655 6.263 15.632 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.162 6.303 13.955 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.710 8.600 15.851 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.012 8.362 14.702 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.906 10.000 14.153 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.728 9.110 12.886 1.00 0.00 H new ATOM 1246 N LYS A 83 1.599 5.523 15.636 1.00 0.00 N ATOM 1247 CA LYS A 83 0.698 5.256 16.751 1.00 0.00 C ATOM 1248 C LYS A 83 1.411 4.481 17.854 1.00 0.00 C ATOM 1249 O LYS A 83 0.853 3.550 18.433 1.00 0.00 O ATOM 1250 CB LYS A 83 -0.523 4.469 16.269 1.00 0.00 C ATOM 1251 CG LYS A 83 -1.275 5.147 15.137 1.00 0.00 C ATOM 1252 CD LYS A 83 -2.743 4.755 15.129 1.00 0.00 C ATOM 1253 CE LYS A 83 -2.918 3.247 15.225 1.00 0.00 C ATOM 1254 NZ LYS A 83 -4.343 2.866 15.434 1.00 0.00 N ATOM 0 H LYS A 83 1.758 4.724 15.022 1.00 0.00 H new ATOM 0 HA LYS A 83 0.370 6.213 17.157 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.201 3.481 15.940 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.203 4.320 17.108 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.187 6.229 15.237 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.820 4.877 14.184 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -3.253 5.235 15.964 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.213 5.119 14.216 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.547 2.780 14.313 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.315 2.863 16.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.420 1.831 15.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.690 3.291 16.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -4.915 3.210 14.636 1.00 0.00 H new