USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot 37:sc= 0.165 USER MOD Set 1.2: A 106 THR OG1 : rot 76:sc= 1.28 USER MOD Set 2.1: A 21 THR OG1 : rot -35:sc= 0.00383 USER MOD Set 2.2: A 98 GLN : amide:sc= 0 K(o=0.0038,f=-1.1) USER MOD Set 3.1: A 84 ASN : amide:sc= 1.4 K(o=2.5,f=-2) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 175:sc= 1.09 (180deg=0) USER MOD Set 4.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 42 CYS SG : rot -46:sc= -0.382 USER MOD Set 5.2: A 62 CYS SG : rot -121:sc= 0.954 USER MOD Set 6.1: A 14 GLN : amide:sc= -0.355 K(o=-0.35,f=-0.85) USER MOD Set 6.2: A 17 GLN : amide:sc= 0.00572 K(o=-0.35,f=-0.85) USER MOD Single : A 3 GLN : amide:sc= -0.0044 X(o=-0.0044,f=0) USER MOD Single : A 6 SER OG : rot -27:sc= 0.128 USER MOD Single : A 7 GLN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.729 K(o=0.73,f=-4.3!) USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 1.25 (180deg=1.21) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0307) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0.872 (180deg=0.869) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 0.86 (180deg=0.297) USER MOD Single : A 41 THR OG1 : rot 76:sc= 0.533 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 50 THR OG1 : rot 69:sc= 0.71 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 69 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 150:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.593) USER MOD Single : A 96 ASN : amide:sc= 0.542 K(o=0.54,f=0) USER MOD Single : A 100 MET CE :methyl 151:sc= -0.0983 (180deg=-0.556) USER MOD Single : A 105 GLN : amide:sc= -0.0222 K(o=-0.022,f=-0.73) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0.795 (180deg=0.795) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.200 0.976 1.855 1.00 25.00 N ATOM 44 CA GLY A 2 0.726 1.792 2.966 1.00 25.00 C ATOM 45 C GLY A 2 0.474 3.223 2.550 1.00 25.00 C ATOM 46 O GLY A 2 -0.452 3.871 3.040 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.193 1.363 3.365 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.462 1.772 3.770 1.00 25.00 H new ATOM 50 N GLN A 3 1.268 3.699 1.603 1.00 25.00 N ATOM 51 CA GLN A 3 1.110 5.049 1.074 1.00 25.00 C ATOM 52 C GLN A 3 -0.258 5.231 0.397 1.00 25.00 C ATOM 53 O GLN A 3 -0.857 6.301 0.481 1.00 25.00 O ATOM 54 CB GLN A 3 2.256 5.356 0.092 1.00 25.00 C ATOM 55 CG GLN A 3 2.257 4.502 -1.184 1.00 25.00 C ATOM 56 CD GLN A 3 3.563 4.583 -1.936 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.983 5.649 -2.370 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.218 3.468 -2.085 1.00 25.00 N ATOM 0 H GLN A 3 2.032 3.170 1.182 1.00 25.00 H new ATOM 0 HA GLN A 3 1.154 5.754 1.904 1.00 25.00 H new ATOM 0 HB2 GLN A 3 2.201 6.407 -0.191 1.00 25.00 H new ATOM 0 HB3 GLN A 3 3.206 5.214 0.608 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.057 3.463 -0.922 1.00 25.00 H new ATOM 0 HG3 GLN A 3 1.446 4.828 -1.835 1.00 25.00 H new ATOM 0 HE21 GLN A 3 3.838 2.599 -1.710 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.112 3.463 -2.577 1.00 25.00 H new ATOM 67 N GLU A 4 -0.758 4.192 -0.262 1.00 25.00 N ATOM 68 CA GLU A 4 -2.057 4.268 -0.921 1.00 25.00 C ATOM 69 C GLU A 4 -3.178 3.938 0.075 1.00 25.00 C ATOM 70 O GLU A 4 -4.248 4.525 0.024 1.00 25.00 O ATOM 71 CB GLU A 4 -2.076 3.395 -2.193 1.00 25.00 C ATOM 72 CG GLU A 4 -2.697 2.002 -2.078 1.00 25.00 C ATOM 73 CD GLU A 4 -4.215 2.029 -2.016 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.845 2.885 -2.670 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.790 1.178 -1.314 1.00 25.00 O ATOM 0 H GLU A 4 -0.287 3.292 -0.354 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.239 5.288 -1.259 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -2.613 3.941 -2.969 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.049 3.279 -2.538 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.385 1.400 -2.931 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.312 1.512 -1.184 1.00 25.00 H new ATOM 82 N LEU A 5 -2.910 3.057 1.029 1.00 25.00 N ATOM 83 CA LEU A 5 -3.916 2.699 2.030 1.00 25.00 C ATOM 84 C LEU A 5 -4.298 3.921 2.874 1.00 25.00 C ATOM 85 O LEU A 5 -5.472 4.139 3.153 1.00 25.00 O ATOM 86 CB LEU A 5 -3.409 1.559 2.920 1.00 25.00 C ATOM 87 CG LEU A 5 -3.327 0.165 2.266 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.633 -0.810 3.220 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.710 -0.386 1.900 1.00 25.00 C ATOM 0 H LEU A 5 -2.015 2.579 1.134 1.00 25.00 H new ATOM 0 HA LEU A 5 -4.810 2.353 1.510 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.417 1.825 3.284 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.060 1.490 3.791 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.755 0.270 1.344 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.576 -1.795 2.756 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.626 -0.452 3.437 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.202 -0.878 4.147 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.601 -1.369 1.443 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.318 -0.470 2.801 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.196 0.289 1.196 1.00 25.00 H new ATOM 101 N SER A 6 -3.321 4.761 3.201 1.00 25.00 N ATOM 102 CA SER A 6 -3.566 6.039 3.885 1.00 25.00 C ATOM 103 C SER A 6 -4.499 7.012 3.150 1.00 25.00 C ATOM 104 O SER A 6 -5.016 7.937 3.774 1.00 25.00 O ATOM 105 CB SER A 6 -2.234 6.761 4.107 1.00 25.00 C ATOM 106 OG SER A 6 -2.395 7.840 5.015 1.00 25.00 O ATOM 0 H SER A 6 -2.337 4.581 3.002 1.00 25.00 H new ATOM 0 HA SER A 6 -4.065 5.765 4.814 1.00 25.00 H new ATOM 0 HB2 SER A 6 -1.495 6.060 4.494 1.00 25.00 H new ATOM 0 HB3 SER A 6 -1.853 7.133 3.156 1.00 25.00 H new ATOM 0 HG SER A 6 -3.320 8.162 4.979 1.00 25.00 H new ATOM 112 N GLN A 7 -4.705 6.832 1.849 1.00 25.00 N ATOM 113 CA GLN A 7 -5.596 7.703 1.076 1.00 25.00 C ATOM 114 C GLN A 7 -6.780 6.910 0.507 1.00 25.00 C ATOM 115 O GLN A 7 -7.663 7.465 -0.144 1.00 25.00 O ATOM 116 CB GLN A 7 -4.811 8.425 -0.029 1.00 25.00 C ATOM 117 CG GLN A 7 -4.055 7.515 -0.979 1.00 25.00 C ATOM 118 CD GLN A 7 -3.170 8.282 -1.934 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.640 9.022 -2.777 1.00 25.00 O ATOM 120 NE2 GLN A 7 -1.881 8.113 -1.794 1.00 25.00 N ATOM 0 H GLN A 7 -4.267 6.090 1.303 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.007 8.461 1.743 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.505 9.034 -0.608 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.101 9.108 0.438 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -3.445 6.820 -0.402 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -4.767 6.918 -1.549 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.524 7.484 -1.075 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.232 8.611 -2.404 1.00 25.00 H new ATOM 129 N HIS A 8 -6.847 5.629 0.843 1.00 25.00 N ATOM 130 CA HIS A 8 -8.006 4.794 0.522 1.00 25.00 C ATOM 131 C HIS A 8 -8.998 5.088 1.645 1.00 25.00 C ATOM 132 O HIS A 8 -9.100 4.343 2.602 1.00 25.00 O ATOM 133 CB HIS A 8 -7.598 3.307 0.486 1.00 25.00 C ATOM 134 CG HIS A 8 -8.146 2.545 -0.681 1.00 25.00 C ATOM 135 ND1 HIS A 8 -7.433 2.338 -1.863 1.00 25.00 N ATOM 136 CD2 HIS A 8 -9.323 1.889 -0.872 1.00 25.00 C ATOM 137 CE1 HIS A 8 -8.161 1.597 -2.683 1.00 25.00 C ATOM 138 NE2 HIS A 8 -9.303 1.321 -2.112 1.00 25.00 N ATOM 0 H HIS A 8 -6.106 5.138 1.343 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.434 5.006 -0.458 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.510 3.241 0.469 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.932 2.828 1.407 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -6.500 2.700 -2.063 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.135 1.828 -0.162 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -7.859 1.272 -3.668 1.00 25.00 H new ATOM 146 N GLU A 9 -9.656 6.233 1.577 1.00 25.00 N ATOM 147 CA GLU A 9 -10.441 6.760 2.703 1.00 25.00 C ATOM 148 C GLU A 9 -11.434 5.782 3.361 1.00 25.00 C ATOM 149 O GLU A 9 -11.683 5.873 4.554 1.00 25.00 O ATOM 150 CB GLU A 9 -11.171 8.032 2.259 1.00 25.00 C ATOM 151 CG GLU A 9 -12.331 7.763 1.316 1.00 25.00 C ATOM 152 CD GLU A 9 -12.980 9.020 0.779 1.00 25.00 C ATOM 153 OE1 GLU A 9 -12.470 10.129 1.010 1.00 25.00 O ATOM 154 OE2 GLU A 9 -14.011 8.869 0.085 1.00 25.00 O ATOM 0 H GLU A 9 -9.667 6.828 0.748 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.710 6.963 3.486 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.542 8.555 3.140 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -10.461 8.698 1.769 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -11.976 7.162 0.479 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -13.083 7.171 1.838 1.00 25.00 H new ATOM 161 N ARG A 10 -11.960 4.819 2.613 1.00 25.00 N ATOM 162 CA ARG A 10 -12.916 3.857 3.189 1.00 25.00 C ATOM 163 C ARG A 10 -12.202 2.899 4.146 1.00 25.00 C ATOM 164 O ARG A 10 -12.736 2.509 5.177 1.00 25.00 O ATOM 165 CB ARG A 10 -13.637 3.073 2.082 1.00 25.00 C ATOM 166 CG ARG A 10 -14.976 3.710 1.637 1.00 25.00 C ATOM 167 CD ARG A 10 -14.806 4.909 0.687 1.00 25.00 C ATOM 168 NE ARG A 10 -14.495 4.490 -0.691 1.00 25.00 N ATOM 169 CZ ARG A 10 -14.266 5.313 -1.713 1.00 25.00 C ATOM 170 NH1 ARG A 10 -14.273 6.615 -1.599 1.00 25.00 N ATOM 171 NH2 ARG A 10 -14.023 4.804 -2.889 1.00 25.00 N ATOM 0 H ARG A 10 -11.752 4.677 1.625 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.663 4.416 3.752 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -12.978 2.994 1.217 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.827 2.058 2.432 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.583 2.951 1.144 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.526 4.033 2.521 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.721 5.502 0.687 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -14.009 5.553 1.057 1.00 25.00 H new ATOM 0 HE ARG A 10 -14.452 3.488 -0.877 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -14.460 7.047 -0.694 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -14.091 7.199 -2.415 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -14.011 3.792 -3.014 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -13.845 5.418 -3.684 1.00 25.00 H new ATOM 185 N TYR A 11 -10.964 2.579 3.817 1.00 25.00 N ATOM 186 CA TYR A 11 -10.116 1.743 4.658 1.00 25.00 C ATOM 187 C TYR A 11 -9.675 2.551 5.872 1.00 25.00 C ATOM 188 O TYR A 11 -9.644 2.050 6.997 1.00 25.00 O ATOM 189 CB TYR A 11 -8.902 1.308 3.838 1.00 25.00 C ATOM 190 CG TYR A 11 -7.907 0.459 4.576 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.200 -0.875 4.904 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.646 0.981 4.932 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.247 -1.681 5.564 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.687 0.172 5.587 1.00 25.00 C ATOM 195 CZ TYR A 11 -5.995 -1.153 5.889 1.00 25.00 C ATOM 196 OH TYR A 11 -5.061 -1.928 6.518 1.00 25.00 O ATOM 0 H TYR A 11 -10.513 2.891 2.957 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.657 0.860 4.999 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.251 0.756 2.965 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.394 2.199 3.469 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.164 -1.289 4.649 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.410 2.009 4.702 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.485 -2.704 5.817 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.722 0.579 5.851 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.112 -2.845 6.176 1.00 25.00 H new ATOM 206 N VAL A 12 -9.375 3.822 5.635 1.00 25.00 N ATOM 207 CA VAL A 12 -8.953 4.737 6.694 1.00 25.00 C ATOM 208 C VAL A 12 -10.030 4.837 7.777 1.00 25.00 C ATOM 209 O VAL A 12 -9.701 4.883 8.952 1.00 25.00 O ATOM 210 CB VAL A 12 -8.622 6.155 6.118 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.226 7.144 7.222 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.467 6.060 5.113 1.00 25.00 C ATOM 0 H VAL A 12 -9.416 4.248 4.709 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.044 4.336 7.142 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.526 6.520 5.630 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.005 8.115 6.779 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.048 7.247 7.930 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.343 6.773 7.743 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.245 7.052 4.719 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.583 5.662 5.611 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.751 5.399 4.294 1.00 25.00 H new ATOM 222 N GLU A 13 -11.303 4.815 7.406 1.00 25.00 N ATOM 223 CA GLU A 13 -12.389 4.892 8.396 1.00 25.00 C ATOM 224 C GLU A 13 -12.328 3.761 9.430 1.00 25.00 C ATOM 225 O GLU A 13 -12.386 4.011 10.636 1.00 25.00 O ATOM 226 CB GLU A 13 -13.758 4.875 7.703 1.00 25.00 C ATOM 227 CG GLU A 13 -14.096 6.167 6.957 1.00 25.00 C ATOM 228 CD GLU A 13 -14.643 7.251 7.878 1.00 25.00 C ATOM 229 OE1 GLU A 13 -13.977 7.569 8.889 1.00 25.00 O ATOM 230 OE2 GLU A 13 -15.695 7.830 7.569 1.00 25.00 O ATOM 0 H GLU A 13 -11.616 4.745 6.438 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.254 5.835 8.926 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.787 4.043 6.999 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.529 4.687 8.450 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.201 6.538 6.457 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.829 5.952 6.180 1.00 25.00 H new ATOM 237 N GLN A 14 -12.150 2.524 8.986 1.00 25.00 N ATOM 238 CA GLN A 14 -12.028 1.411 9.932 1.00 25.00 C ATOM 239 C GLN A 14 -10.699 1.491 10.670 1.00 25.00 C ATOM 240 O GLN A 14 -10.592 1.101 11.830 1.00 25.00 O ATOM 241 CB GLN A 14 -12.135 0.056 9.225 1.00 25.00 C ATOM 242 CG GLN A 14 -13.567 -0.343 8.874 1.00 25.00 C ATOM 243 CD GLN A 14 -14.479 -0.365 10.090 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.472 0.335 10.136 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.132 -1.151 11.080 1.00 25.00 N ATOM 0 H GLN A 14 -12.087 2.264 8.002 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.850 1.494 10.643 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.541 0.085 8.311 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.700 -0.712 9.864 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.965 0.355 8.138 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.563 -1.329 8.409 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.292 -1.724 11.006 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.702 -1.189 11.925 1.00 25.00 H new ATOM 254 N LEU A 15 -9.689 2.034 10.017 1.00 25.00 N ATOM 255 CA LEU A 15 -8.384 2.183 10.648 1.00 25.00 C ATOM 256 C LEU A 15 -8.409 3.245 11.744 1.00 25.00 C ATOM 257 O LEU A 15 -7.608 3.177 12.664 1.00 25.00 O ATOM 258 CB LEU A 15 -7.311 2.499 9.601 1.00 25.00 C ATOM 259 CG LEU A 15 -6.475 1.320 9.061 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.321 1.020 10.012 1.00 25.00 C ATOM 261 CD2 LEU A 15 -7.293 0.046 8.837 1.00 25.00 C ATOM 0 H LEU A 15 -9.742 2.378 9.058 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.133 1.234 11.121 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.799 2.981 8.754 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.625 3.229 10.032 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.099 1.632 8.087 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.736 0.186 9.623 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -4.684 1.900 10.100 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.717 0.759 10.993 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -6.643 -0.742 8.457 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -7.736 -0.273 9.781 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -8.084 0.244 8.114 1.00 25.00 H new ATOM 273 N LYS A 16 -9.341 4.190 11.696 1.00 25.00 N ATOM 274 CA LYS A 16 -9.468 5.181 12.779 1.00 25.00 C ATOM 275 C LYS A 16 -9.841 4.438 14.046 1.00 25.00 C ATOM 276 O LYS A 16 -9.320 4.722 15.124 1.00 25.00 O ATOM 277 CB LYS A 16 -10.553 6.226 12.476 1.00 25.00 C ATOM 278 CG LYS A 16 -10.210 7.214 11.365 1.00 25.00 C ATOM 279 CD LYS A 16 -11.421 8.075 11.026 1.00 25.00 C ATOM 280 CE LYS A 16 -11.159 8.962 9.808 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.395 9.742 9.429 1.00 25.00 N ATOM 0 H LYS A 16 -10.013 4.298 10.936 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.520 5.709 12.884 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.472 5.705 12.206 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.760 6.786 13.388 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.381 7.849 11.678 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -9.881 6.673 10.478 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.281 7.434 10.832 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.676 8.699 11.883 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.342 9.651 10.025 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -10.842 8.346 8.967 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.222 10.257 8.542 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.193 9.087 9.299 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.623 10.420 10.184 1.00 25.00 H new ATOM 295 N GLN A 17 -10.723 3.460 13.903 1.00 25.00 N ATOM 296 CA GLN A 17 -11.153 2.647 15.033 1.00 25.00 C ATOM 297 C GLN A 17 -9.984 1.780 15.497 1.00 25.00 C ATOM 298 O GLN A 17 -9.678 1.728 16.680 1.00 25.00 O ATOM 299 CB GLN A 17 -12.334 1.752 14.633 1.00 25.00 C ATOM 300 CG GLN A 17 -13.550 2.504 14.098 1.00 25.00 C ATOM 301 CD GLN A 17 -14.578 1.568 13.496 1.00 25.00 C ATOM 302 OE1 GLN A 17 -14.648 0.395 13.840 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.352 2.072 12.576 1.00 25.00 N ATOM 0 H GLN A 17 -11.156 3.209 13.014 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.475 3.302 15.843 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -11.997 1.046 13.874 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.638 1.166 15.500 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -14.008 3.074 14.906 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -13.229 3.223 13.344 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.263 3.055 12.317 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -16.046 1.484 12.115 1.00 25.00 H new ATOM 312 N ALA A 18 -9.307 1.137 14.555 1.00 25.00 N ATOM 313 CA ALA A 18 -8.193 0.247 14.877 1.00 25.00 C ATOM 314 C ALA A 18 -7.018 0.964 15.574 1.00 25.00 C ATOM 315 O ALA A 18 -6.474 0.458 16.556 1.00 25.00 O ATOM 316 CB ALA A 18 -7.714 -0.453 13.603 1.00 25.00 C ATOM 0 H ALA A 18 -9.509 1.214 13.558 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.565 -0.487 15.592 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -6.883 -1.117 13.843 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.532 -1.035 13.178 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.385 0.293 12.880 1.00 25.00 H new ATOM 322 N LEU A 19 -6.637 2.142 15.088 1.00 25.00 N ATOM 323 CA LEU A 19 -5.549 2.902 15.713 1.00 25.00 C ATOM 324 C LEU A 19 -5.966 3.278 17.139 1.00 25.00 C ATOM 325 O LEU A 19 -5.170 3.198 18.076 1.00 25.00 O ATOM 326 CB LEU A 19 -5.212 4.181 14.909 1.00 25.00 C ATOM 327 CG LEU A 19 -4.001 4.087 13.949 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.322 3.437 12.602 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.402 5.464 13.670 1.00 25.00 C ATOM 0 H LEU A 19 -7.057 2.590 14.274 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.654 2.280 15.730 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.090 4.460 14.326 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.027 4.991 15.615 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.290 3.450 14.475 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.422 3.409 11.988 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.682 2.421 12.765 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.091 4.017 12.092 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.554 5.362 12.993 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.157 6.103 13.212 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.067 5.911 14.606 1.00 25.00 H new ATOM 341 N LYS A 20 -7.228 3.653 17.308 1.00 25.00 N ATOM 342 CA LYS A 20 -7.750 4.024 18.625 1.00 25.00 C ATOM 343 C LYS A 20 -7.825 2.834 19.581 1.00 25.00 C ATOM 344 O LYS A 20 -7.475 2.969 20.751 1.00 25.00 O ATOM 345 CB LYS A 20 -9.150 4.652 18.466 1.00 25.00 C ATOM 346 CG LYS A 20 -9.929 4.888 19.776 1.00 25.00 C ATOM 347 CD LYS A 20 -9.284 5.943 20.680 1.00 25.00 C ATOM 348 CE LYS A 20 -9.960 5.971 22.055 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.435 6.275 21.972 1.00 25.00 N ATOM 0 H LYS A 20 -7.911 3.709 16.553 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.058 4.745 19.060 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.044 5.607 17.951 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.747 4.007 17.821 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -10.946 5.198 19.536 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -10.003 3.947 20.322 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -8.222 5.728 20.797 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -9.361 6.925 20.212 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -9.819 5.007 22.545 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.473 6.720 22.679 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.822 6.382 22.931 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -11.578 7.157 21.440 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.923 5.495 21.487 1.00 25.00 H new ATOM 363 N THR A 21 -8.316 1.696 19.117 1.00 25.00 N ATOM 364 CA THR A 21 -8.580 0.563 20.009 1.00 25.00 C ATOM 365 C THR A 21 -7.320 -0.081 20.567 1.00 25.00 C ATOM 366 O THR A 21 -7.369 -0.728 21.607 1.00 25.00 O ATOM 367 CB THR A 21 -9.473 -0.516 19.329 1.00 25.00 C ATOM 368 OG1 THR A 21 -10.172 -1.251 20.334 1.00 25.00 O ATOM 369 CG2 THR A 21 -8.670 -1.507 18.487 1.00 25.00 C ATOM 0 H THR A 21 -8.541 1.526 18.137 1.00 25.00 H new ATOM 0 HA THR A 21 -9.121 0.990 20.853 1.00 25.00 H new ATOM 0 HB THR A 21 -10.158 0.013 18.666 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.600 -1.351 21.124 1.00 25.00 H new ATOM 0 HG21 THR A 21 -9.346 -2.235 18.038 1.00 25.00 H new ATOM 0 HG22 THR A 21 -8.140 -0.970 17.700 1.00 25.00 H new ATOM 0 HG23 THR A 21 -7.950 -2.024 19.121 1.00 25.00 H new ATOM 377 N ARG A 22 -6.176 0.116 19.917 1.00 25.00 N ATOM 378 CA ARG A 22 -4.929 -0.434 20.441 1.00 25.00 C ATOM 379 C ARG A 22 -4.469 0.400 21.637 1.00 25.00 C ATOM 380 O ARG A 22 -3.661 -0.049 22.444 1.00 25.00 O ATOM 381 CB ARG A 22 -3.857 -0.500 19.336 1.00 25.00 C ATOM 382 CG ARG A 22 -2.575 -1.270 19.725 1.00 25.00 C ATOM 383 CD ARG A 22 -2.858 -2.723 20.130 1.00 25.00 C ATOM 384 NE ARG A 22 -1.695 -3.373 20.755 1.00 25.00 N ATOM 385 CZ ARG A 22 -1.329 -3.254 22.028 1.00 25.00 C ATOM 386 NH1 ARG A 22 -1.942 -2.467 22.880 1.00 25.00 N ATOM 387 NH2 ARG A 22 -0.316 -3.950 22.450 1.00 25.00 N ATOM 0 H ARG A 22 -6.086 0.640 19.046 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.095 -1.456 20.782 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.293 -0.969 18.454 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.582 0.516 19.054 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.881 -1.260 18.885 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.084 -0.756 20.551 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.699 -2.746 20.824 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.157 -3.290 19.249 1.00 25.00 H new ATOM 0 HE ARG A 22 -1.119 -3.967 20.159 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.740 -1.909 22.576 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.620 -2.413 23.846 1.00 25.00 H new ATOM 0 HH21 ARG A 22 0.179 -4.570 21.809 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.016 -3.876 23.422 1.00 25.00 H new ATOM 401 N GLY A 23 -5.010 1.606 21.755 1.00 25.00 N ATOM 402 CA GLY A 23 -4.700 2.474 22.881 1.00 25.00 C ATOM 403 C GLY A 23 -3.397 3.224 22.710 1.00 25.00 C ATOM 404 O GLY A 23 -2.917 3.875 23.633 1.00 25.00 O ATOM 0 H GLY A 23 -5.666 2.004 21.083 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.510 3.191 23.014 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.651 1.876 23.791 1.00 25.00 H new ATOM 408 N VAL A 24 -2.814 3.137 21.523 1.00 25.00 N ATOM 409 CA VAL A 24 -1.521 3.761 21.257 1.00 25.00 C ATOM 410 C VAL A 24 -1.736 4.909 20.285 1.00 25.00 C ATOM 411 O VAL A 24 -2.239 4.719 19.182 1.00 25.00 O ATOM 412 CB VAL A 24 -0.506 2.735 20.677 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.897 3.354 20.585 1.00 25.00 C ATOM 414 CG2 VAL A 24 -0.450 1.479 21.562 1.00 25.00 C ATOM 0 H VAL A 24 -3.214 2.641 20.727 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.100 4.134 22.191 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.840 2.459 19.677 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.592 2.620 20.177 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.867 4.227 19.934 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.228 3.654 21.579 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.265 0.770 21.143 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.138 1.757 22.569 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -1.437 1.018 21.602 1.00 25.00 H new ATOM 424 N LYS A 25 -1.391 6.115 20.714 1.00 25.00 N ATOM 425 CA LYS A 25 -1.605 7.305 19.887 1.00 25.00 C ATOM 426 C LYS A 25 -0.492 7.441 18.852 1.00 25.00 C ATOM 427 O LYS A 25 0.474 8.167 19.059 1.00 25.00 O ATOM 428 CB LYS A 25 -1.653 8.556 20.775 1.00 25.00 C ATOM 429 CG LYS A 25 -2.819 8.546 21.774 1.00 25.00 C ATOM 430 CD LYS A 25 -2.939 9.866 22.553 1.00 25.00 C ATOM 431 CE LYS A 25 -1.774 10.068 23.533 1.00 25.00 C ATOM 432 NZ LYS A 25 -1.976 11.293 24.389 1.00 25.00 N ATOM 0 H LYS A 25 -0.965 6.300 21.622 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.556 7.202 19.364 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.715 8.641 21.323 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.733 9.440 20.142 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -3.750 8.358 21.239 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -2.684 7.724 22.477 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -2.970 10.699 21.851 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -3.880 9.878 23.103 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -1.678 9.189 24.171 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -0.841 10.162 22.976 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -1.171 11.399 25.039 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -2.043 12.134 23.781 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.853 11.192 24.938 1.00 25.00 H new ATOM 446 N VAL A 26 -0.654 6.758 17.732 1.00 25.00 N ATOM 447 CA VAL A 26 0.307 6.823 16.633 1.00 25.00 C ATOM 448 C VAL A 26 -0.270 7.759 15.577 1.00 25.00 C ATOM 449 O VAL A 26 -1.471 7.742 15.323 1.00 25.00 O ATOM 450 CB VAL A 26 0.549 5.413 15.994 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.718 5.455 14.997 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.858 4.376 17.075 1.00 25.00 C ATOM 0 H VAL A 26 -1.449 6.145 17.554 1.00 25.00 H new ATOM 0 HA VAL A 26 1.264 7.182 17.011 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.363 5.132 15.468 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.866 4.464 14.567 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.493 6.165 14.202 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.626 5.765 15.514 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.023 3.404 16.610 1.00 25.00 H new ATOM 0 HG22 VAL A 26 1.754 4.674 17.620 1.00 25.00 H new ATOM 0 HG23 VAL A 26 0.018 4.310 17.766 1.00 25.00 H new ATOM 462 N LYS A 27 0.571 8.570 14.953 1.00 25.00 N ATOM 463 CA LYS A 27 0.116 9.420 13.854 1.00 25.00 C ATOM 464 C LYS A 27 -0.233 8.472 12.707 1.00 25.00 C ATOM 465 O LYS A 27 0.507 7.543 12.433 1.00 25.00 O ATOM 466 CB LYS A 27 1.232 10.385 13.442 1.00 25.00 C ATOM 467 CG LYS A 27 0.828 11.468 12.442 1.00 25.00 C ATOM 468 CD LYS A 27 2.074 12.214 11.951 1.00 25.00 C ATOM 469 CE LYS A 27 1.738 13.404 11.053 1.00 25.00 C ATOM 470 NZ LYS A 27 1.183 14.566 11.834 1.00 25.00 N ATOM 0 H LYS A 27 1.561 8.660 15.182 1.00 25.00 H new ATOM 0 HA LYS A 27 -0.744 10.026 14.138 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.620 10.869 14.338 1.00 25.00 H new ATOM 0 HB3 LYS A 27 2.050 9.806 13.013 1.00 25.00 H new ATOM 0 HG2 LYS A 27 0.306 11.019 11.597 1.00 25.00 H new ATOM 0 HG3 LYS A 27 0.135 12.167 12.910 1.00 25.00 H new ATOM 0 HD2 LYS A 27 2.645 12.564 12.811 1.00 25.00 H new ATOM 0 HD3 LYS A 27 2.714 11.522 11.404 1.00 25.00 H new ATOM 0 HE2 LYS A 27 2.635 13.721 10.521 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.013 13.095 10.299 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 0.969 15.350 11.185 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 0.312 14.273 12.321 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.884 14.879 12.536 1.00 25.00 H new ATOM 484 N PHE A 28 -1.343 8.710 12.031 1.00 25.00 N ATOM 485 CA PHE A 28 -1.772 7.842 10.928 1.00 25.00 C ATOM 486 C PHE A 28 -0.703 7.681 9.859 1.00 25.00 C ATOM 487 O PHE A 28 -0.395 6.568 9.451 1.00 25.00 O ATOM 488 CB PHE A 28 -3.018 8.453 10.276 1.00 25.00 C ATOM 489 CG PHE A 28 -4.235 7.591 10.364 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.447 6.573 9.423 1.00 25.00 C ATOM 491 CD2 PHE A 28 -5.192 7.805 11.373 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.600 5.768 9.479 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.355 7.007 11.437 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.559 5.992 10.484 1.00 25.00 C ATOM 0 H PHE A 28 -1.968 9.493 12.219 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.976 6.857 11.348 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.230 9.412 10.749 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.804 8.656 9.227 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -3.716 6.405 8.646 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -5.036 8.585 12.104 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -5.748 4.982 8.754 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -7.085 7.175 12.215 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.451 5.385 10.524 1.00 25.00 H new ATOM 504 N ALA A 29 -0.111 8.792 9.445 1.00 25.00 N ATOM 505 CA ALA A 29 0.937 8.768 8.432 1.00 25.00 C ATOM 506 C ALA A 29 2.128 7.925 8.894 1.00 25.00 C ATOM 507 O ALA A 29 2.753 7.243 8.098 1.00 25.00 O ATOM 508 CB ALA A 29 1.388 10.201 8.117 1.00 25.00 C ATOM 0 H ALA A 29 -0.338 9.723 9.795 1.00 25.00 H new ATOM 0 HA ALA A 29 0.534 8.312 7.528 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.171 10.178 7.359 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.540 10.776 7.745 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.773 10.669 9.023 1.00 25.00 H new ATOM 514 N ASP A 30 2.431 7.964 10.184 1.00 25.00 N ATOM 515 CA ASP A 30 3.540 7.182 10.713 1.00 25.00 C ATOM 516 C ASP A 30 3.215 5.706 10.727 1.00 25.00 C ATOM 517 O ASP A 30 4.097 4.891 10.474 1.00 25.00 O ATOM 518 CB ASP A 30 3.910 7.620 12.128 1.00 25.00 C ATOM 519 CG ASP A 30 4.862 8.783 12.132 1.00 25.00 C ATOM 520 OD1 ASP A 30 6.051 8.559 11.823 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.427 9.923 12.387 1.00 25.00 O ATOM 0 H ASP A 30 1.931 8.522 10.877 1.00 25.00 H new ATOM 0 HA ASP A 30 4.388 7.358 10.051 1.00 25.00 H new ATOM 0 HB2 ASP A 30 3.005 7.892 12.671 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.361 6.782 12.660 1.00 25.00 H new ATOM 526 N LEU A 31 1.968 5.350 11.018 1.00 25.00 N ATOM 527 CA LEU A 31 1.604 3.938 11.070 1.00 25.00 C ATOM 528 C LEU A 31 1.596 3.338 9.673 1.00 25.00 C ATOM 529 O LEU A 31 2.274 2.348 9.402 1.00 25.00 O ATOM 530 CB LEU A 31 0.256 3.705 11.755 1.00 25.00 C ATOM 531 CG LEU A 31 0.352 2.504 12.729 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.886 2.378 13.560 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.599 1.176 12.021 1.00 25.00 C ATOM 0 H LEU A 31 1.209 6.001 11.217 1.00 25.00 H new ATOM 0 HA LEU A 31 2.362 3.437 11.673 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.044 4.601 12.299 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.513 3.515 11.006 1.00 25.00 H new ATOM 0 HG LEU A 31 1.212 2.717 13.364 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.787 1.526 14.233 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.026 3.288 14.144 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.747 2.228 12.909 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.656 0.376 12.759 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -0.219 0.975 11.330 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.537 1.227 11.468 1.00 25.00 H new ATOM 545 N LEU A 32 0.867 3.971 8.767 1.00 25.00 N ATOM 546 CA LEU A 32 0.822 3.503 7.372 1.00 25.00 C ATOM 547 C LEU A 32 2.180 3.538 6.682 1.00 25.00 C ATOM 548 O LEU A 32 2.408 2.813 5.725 1.00 25.00 O ATOM 549 CB LEU A 32 -0.155 4.324 6.534 1.00 25.00 C ATOM 550 CG LEU A 32 -1.628 3.897 6.540 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.836 2.439 6.158 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.253 4.169 7.847 1.00 25.00 C ATOM 0 H LEU A 32 0.303 4.799 8.958 1.00 25.00 H new ATOM 0 HA LEU A 32 0.490 2.467 7.436 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.104 5.358 6.875 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.194 4.311 5.502 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.114 4.499 5.772 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.900 2.205 6.183 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.450 2.267 5.153 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.307 1.799 6.864 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.297 3.857 7.823 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.726 3.616 8.624 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.198 5.236 8.061 1.00 25.00 H new ATOM 564 N LYS A 33 3.108 4.326 7.192 1.00 25.00 N ATOM 565 CA LYS A 33 4.476 4.314 6.648 1.00 25.00 C ATOM 566 C LYS A 33 5.091 2.915 6.805 1.00 25.00 C ATOM 567 O LYS A 33 5.787 2.437 5.917 1.00 25.00 O ATOM 568 CB LYS A 33 5.341 5.400 7.309 1.00 25.00 C ATOM 569 CG LYS A 33 6.781 4.982 7.658 1.00 25.00 C ATOM 570 CD LYS A 33 7.680 6.181 7.996 1.00 25.00 C ATOM 571 CE LYS A 33 7.161 7.029 9.162 1.00 25.00 C ATOM 572 NZ LYS A 33 7.043 6.265 10.448 1.00 25.00 N ATOM 0 H LYS A 33 2.957 4.974 7.966 1.00 25.00 H new ATOM 0 HA LYS A 33 4.436 4.546 5.584 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.383 6.261 6.642 1.00 25.00 H new ATOM 0 HB3 LYS A 33 4.845 5.728 8.223 1.00 25.00 H new ATOM 0 HG2 LYS A 33 6.761 4.297 8.506 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.210 4.436 6.818 1.00 25.00 H new ATOM 0 HD2 LYS A 33 8.679 5.818 8.238 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.776 6.813 7.113 1.00 25.00 H new ATOM 0 HE2 LYS A 33 7.830 7.876 9.311 1.00 25.00 H new ATOM 0 HE3 LYS A 33 6.185 7.436 8.899 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 6.720 6.903 11.203 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 6.357 5.492 10.331 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.970 5.869 10.703 1.00 25.00 H new ATOM 586 N PHE A 34 4.781 2.223 7.889 1.00 25.00 N ATOM 587 CA PHE A 34 5.283 0.861 8.074 1.00 25.00 C ATOM 588 C PHE A 34 4.507 -0.136 7.220 1.00 25.00 C ATOM 589 O PHE A 34 5.043 -1.168 6.840 1.00 25.00 O ATOM 590 CB PHE A 34 5.262 0.467 9.549 1.00 25.00 C ATOM 591 CG PHE A 34 6.294 1.197 10.360 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.613 0.712 10.445 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.963 2.390 11.018 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.599 1.422 11.175 1.00 25.00 C ATOM 595 CE2 PHE A 34 6.937 3.110 11.747 1.00 25.00 C ATOM 596 CZ PHE A 34 8.257 2.630 11.821 1.00 25.00 C ATOM 0 H PHE A 34 4.193 2.570 8.647 1.00 25.00 H new ATOM 0 HA PHE A 34 6.320 0.838 7.739 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.273 0.669 9.961 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.430 -0.606 9.636 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.876 -0.210 9.949 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.951 2.764 10.967 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.608 1.041 11.237 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.668 4.029 12.247 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.005 3.183 12.369 1.00 25.00 H new ATOM 606 N PHE A 35 3.276 0.201 6.854 1.00 25.00 N ATOM 607 CA PHE A 35 2.485 -0.639 5.941 1.00 25.00 C ATOM 608 C PHE A 35 3.090 -0.519 4.530 1.00 25.00 C ATOM 609 O PHE A 35 2.897 -1.380 3.682 1.00 25.00 O ATOM 610 CB PHE A 35 1.007 -0.212 5.903 1.00 25.00 C ATOM 611 CG PHE A 35 0.183 -0.646 7.106 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.724 -0.715 8.412 1.00 25.00 C ATOM 613 CD2 PHE A 35 -1.177 -0.971 6.927 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.079 -1.105 9.504 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.986 -1.349 8.028 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.433 -1.415 9.314 1.00 25.00 C ATOM 0 H PHE A 35 2.799 1.045 7.170 1.00 25.00 H new ATOM 0 HA PHE A 35 2.518 -1.669 6.297 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.960 0.874 5.821 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.549 -0.620 5.002 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.762 -0.466 8.574 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.608 -0.931 5.938 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.352 -1.165 10.493 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -3.029 -1.586 7.876 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.047 -1.703 10.155 1.00 25.00 H new ATOM 626 N ASP A 36 3.850 0.541 4.289 1.00 25.00 N ATOM 627 CA ASP A 36 4.565 0.705 3.021 1.00 25.00 C ATOM 628 C ASP A 36 5.885 -0.067 3.097 1.00 25.00 C ATOM 629 O ASP A 36 6.329 -0.678 2.131 1.00 25.00 O ATOM 630 CB ASP A 36 4.841 2.194 2.761 1.00 25.00 C ATOM 631 CG ASP A 36 4.738 2.562 1.290 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.729 2.169 0.658 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.600 3.322 0.786 1.00 25.00 O ATOM 0 H ASP A 36 3.990 1.303 4.952 1.00 25.00 H new ATOM 0 HA ASP A 36 3.958 0.318 2.203 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.134 2.795 3.332 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.838 2.443 3.125 1.00 25.00 H new ATOM 638 N PHE A 37 6.492 -0.060 4.278 1.00 25.00 N ATOM 639 CA PHE A 37 7.771 -0.735 4.506 1.00 25.00 C ATOM 640 C PHE A 37 7.680 -2.261 4.404 1.00 25.00 C ATOM 641 O PHE A 37 8.608 -2.901 3.909 1.00 25.00 O ATOM 642 CB PHE A 37 8.324 -0.341 5.879 1.00 25.00 C ATOM 643 CG PHE A 37 9.714 -0.858 6.142 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.775 -0.540 5.271 1.00 25.00 C ATOM 645 CD2 PHE A 37 9.971 -1.680 7.257 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.080 -1.036 5.508 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.275 -2.180 7.502 1.00 25.00 C ATOM 648 CZ PHE A 37 12.328 -1.856 6.625 1.00 25.00 C ATOM 0 H PHE A 37 6.117 0.410 5.102 1.00 25.00 H new ATOM 0 HA PHE A 37 8.444 -0.408 3.713 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.328 0.746 5.961 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.654 -0.716 6.652 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.591 0.089 4.413 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.166 -1.932 7.932 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.884 -0.785 4.832 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.460 -2.809 8.360 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.322 -2.235 6.809 1.00 25.00 H new ATOM 658 N VAL A 38 6.563 -2.852 4.816 1.00 25.00 N ATOM 659 CA VAL A 38 6.397 -4.305 4.653 1.00 25.00 C ATOM 660 C VAL A 38 6.433 -4.639 3.167 1.00 25.00 C ATOM 661 O VAL A 38 7.042 -5.616 2.782 1.00 25.00 O ATOM 662 CB VAL A 38 5.086 -4.884 5.331 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.900 -3.973 5.152 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.730 -6.274 4.769 1.00 25.00 C ATOM 0 H VAL A 38 5.777 -2.371 5.253 1.00 25.00 H new ATOM 0 HA VAL A 38 7.223 -4.787 5.176 1.00 25.00 H new ATOM 0 HB VAL A 38 5.310 -4.963 6.395 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.027 -4.413 5.634 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.114 -3.004 5.604 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.700 -3.841 4.089 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.826 -6.642 5.255 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.560 -6.200 3.695 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.552 -6.965 4.959 1.00 25.00 H new ATOM 674 N LYS A 39 5.848 -3.800 2.322 1.00 25.00 N ATOM 675 CA LYS A 39 5.874 -4.051 0.878 1.00 25.00 C ATOM 676 C LYS A 39 7.291 -3.930 0.330 1.00 25.00 C ATOM 677 O LYS A 39 7.688 -4.699 -0.537 1.00 25.00 O ATOM 678 CB LYS A 39 4.955 -3.063 0.156 1.00 25.00 C ATOM 679 CG LYS A 39 4.692 -3.420 -1.309 1.00 25.00 C ATOM 680 CD LYS A 39 5.037 -2.273 -2.277 1.00 25.00 C ATOM 681 CE LYS A 39 6.552 -2.038 -2.424 1.00 25.00 C ATOM 682 NZ LYS A 39 7.263 -3.232 -2.996 1.00 25.00 N ATOM 0 H LYS A 39 5.356 -2.951 2.601 1.00 25.00 H new ATOM 0 HA LYS A 39 5.521 -5.067 0.704 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.003 -3.014 0.685 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.398 -2.068 0.204 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.277 -4.301 -1.574 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.642 -3.687 -1.430 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.613 -2.493 -3.257 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.566 -1.355 -1.925 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.722 -1.174 -3.067 1.00 25.00 H new ATOM 0 HE3 LYS A 39 6.976 -1.798 -1.449 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 8.131 -2.921 -3.478 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 7.509 -3.890 -2.229 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.642 -3.712 -3.678 1.00 25.00 H new ATOM 696 N ASP A 40 8.036 -2.949 0.818 1.00 25.00 N ATOM 697 CA ASP A 40 9.409 -2.705 0.351 1.00 25.00 C ATOM 698 C ASP A 40 10.310 -3.898 0.667 1.00 25.00 C ATOM 699 O ASP A 40 11.103 -4.331 -0.159 1.00 25.00 O ATOM 700 CB ASP A 40 9.974 -1.447 1.023 1.00 25.00 C ATOM 701 CG ASP A 40 11.282 -0.980 0.394 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.260 -0.603 -0.798 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.310 -0.906 1.110 1.00 25.00 O ATOM 0 H ASP A 40 7.719 -2.302 1.540 1.00 25.00 H new ATOM 0 HA ASP A 40 9.382 -2.563 -0.729 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.239 -0.645 0.960 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.136 -1.648 2.082 1.00 25.00 H new ATOM 708 N THR A 41 10.155 -4.438 1.867 1.00 25.00 N ATOM 709 CA THR A 41 10.960 -5.579 2.309 1.00 25.00 C ATOM 710 C THR A 41 10.433 -6.899 1.728 1.00 25.00 C ATOM 711 O THR A 41 11.193 -7.817 1.434 1.00 25.00 O ATOM 712 CB THR A 41 10.940 -5.674 3.856 1.00 25.00 C ATOM 713 OG1 THR A 41 11.143 -4.371 4.413 1.00 25.00 O ATOM 714 CG2 THR A 41 12.049 -6.574 4.375 1.00 25.00 C ATOM 0 H THR A 41 9.480 -4.108 2.556 1.00 25.00 H new ATOM 0 HA THR A 41 11.977 -5.420 1.952 1.00 25.00 H new ATOM 0 HB THR A 41 9.975 -6.088 4.148 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.317 -3.850 4.336 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.004 -6.617 5.463 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.924 -7.577 3.967 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.015 -6.175 4.067 1.00 25.00 H new ATOM 722 N CYS A 42 9.119 -6.992 1.589 1.00 25.00 N ATOM 723 CA CYS A 42 8.453 -8.207 1.125 1.00 25.00 C ATOM 724 C CYS A 42 7.646 -7.941 -0.150 1.00 25.00 C ATOM 725 O CYS A 42 6.440 -7.704 -0.079 1.00 25.00 O ATOM 726 CB CYS A 42 7.489 -8.708 2.210 1.00 25.00 C ATOM 727 SG CYS A 42 8.155 -8.649 3.871 1.00 25.00 S ATOM 0 H CYS A 42 8.479 -6.225 1.795 1.00 25.00 H new ATOM 0 HA CYS A 42 9.220 -8.952 0.914 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.578 -8.110 2.175 1.00 25.00 H new ATOM 0 HB3 CYS A 42 7.205 -9.735 1.981 1.00 25.00 H new ATOM 0 HG CYS A 42 9.357 -9.145 3.875 1.00 25.00 H new ATOM 733 N PRO A 43 8.278 -8.018 -1.334 1.00 25.00 N ATOM 734 CA PRO A 43 7.494 -7.750 -2.549 1.00 25.00 C ATOM 735 C PRO A 43 6.477 -8.851 -2.860 1.00 25.00 C ATOM 736 O PRO A 43 5.538 -8.651 -3.620 1.00 25.00 O ATOM 737 CB PRO A 43 8.571 -7.657 -3.632 1.00 25.00 C ATOM 738 CG PRO A 43 9.651 -8.558 -3.147 1.00 25.00 C ATOM 739 CD PRO A 43 9.683 -8.337 -1.654 1.00 25.00 C ATOM 0 HA PRO A 43 6.883 -6.852 -2.459 1.00 25.00 H new ATOM 0 HB2 PRO A 43 8.190 -7.977 -4.602 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.929 -6.634 -3.752 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.439 -9.599 -3.390 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.609 -8.313 -3.606 1.00 25.00 H new ATOM 0 HD2 PRO A 43 10.026 -9.224 -1.122 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.354 -7.522 -1.381 1.00 25.00 H new ATOM 747 N TRP A 44 6.647 -9.997 -2.221 1.00 25.00 N ATOM 748 CA TRP A 44 5.734 -11.126 -2.365 1.00 25.00 C ATOM 749 C TRP A 44 4.544 -11.040 -1.404 1.00 25.00 C ATOM 750 O TRP A 44 3.555 -11.732 -1.578 1.00 25.00 O ATOM 751 CB TRP A 44 6.510 -12.414 -2.126 1.00 25.00 C ATOM 752 CG TRP A 44 7.603 -12.215 -1.131 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.463 -11.993 0.189 1.00 25.00 C ATOM 754 CD2 TRP A 44 9.022 -12.185 -1.379 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.670 -11.836 0.810 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.661 -11.938 -0.128 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.820 -12.329 -2.532 1.00 25.00 C ATOM 758 CZ2 TRP A 44 11.059 -11.830 -0.002 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.230 -12.223 -2.410 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.832 -11.970 -1.142 1.00 25.00 C ATOM 0 H TRP A 44 7.424 -10.174 -1.585 1.00 25.00 H new ATOM 0 HA TRP A 44 5.324 -11.108 -3.375 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.831 -13.189 -1.772 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.933 -12.766 -3.067 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.511 -11.945 0.697 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.809 -11.670 1.807 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.365 -12.517 -3.493 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.516 -11.643 0.958 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.853 -12.335 -3.285 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.906 -11.886 -1.070 1.00 25.00 H new ATOM 771 N PHE A 45 4.608 -10.176 -0.400 1.00 25.00 N ATOM 772 CA PHE A 45 3.472 -10.032 0.520 1.00 25.00 C ATOM 773 C PHE A 45 2.234 -9.433 -0.179 1.00 25.00 C ATOM 774 O PHE A 45 1.145 -9.998 -0.073 1.00 25.00 O ATOM 775 CB PHE A 45 3.851 -9.209 1.755 1.00 25.00 C ATOM 776 CG PHE A 45 2.758 -9.146 2.788 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.545 -10.227 3.666 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.925 -8.015 2.882 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.507 -10.184 4.632 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.886 -7.961 3.844 1.00 25.00 C ATOM 781 CZ PHE A 45 0.678 -9.047 4.718 1.00 25.00 C ATOM 0 H PHE A 45 5.408 -9.576 -0.199 1.00 25.00 H new ATOM 0 HA PHE A 45 3.207 -11.036 0.851 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.745 -9.637 2.208 1.00 25.00 H new ATOM 0 HB3 PHE A 45 4.106 -8.196 1.444 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.179 -11.099 3.603 1.00 25.00 H new ATOM 0 HD2 PHE A 45 2.079 -7.180 2.214 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.352 -11.019 5.299 1.00 25.00 H new ATOM 0 HE2 PHE A 45 0.254 -7.088 3.907 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.114 -9.008 5.451 1.00 25.00 H new ATOM 791 N PRO A 46 2.381 -8.322 -0.942 1.00 25.00 N ATOM 792 CA PRO A 46 1.157 -7.898 -1.631 1.00 25.00 C ATOM 793 C PRO A 46 0.731 -8.850 -2.752 1.00 25.00 C ATOM 794 O PRO A 46 -0.431 -8.886 -3.126 1.00 25.00 O ATOM 795 CB PRO A 46 1.555 -6.537 -2.209 1.00 25.00 C ATOM 796 CG PRO A 46 2.984 -6.654 -2.455 1.00 25.00 C ATOM 797 CD PRO A 46 3.492 -7.400 -1.260 1.00 25.00 C ATOM 0 HA PRO A 46 0.300 -7.875 -0.958 1.00 25.00 H new ATOM 0 HB2 PRO A 46 1.010 -6.320 -3.128 1.00 25.00 H new ATOM 0 HB3 PRO A 46 1.337 -5.729 -1.511 1.00 25.00 H new ATOM 0 HG2 PRO A 46 3.188 -7.194 -3.380 1.00 25.00 H new ATOM 0 HG3 PRO A 46 3.456 -5.676 -2.546 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.412 -7.940 -1.483 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.710 -6.729 -0.429 1.00 25.00 H new ATOM 805 N GLN A 47 1.681 -9.618 -3.271 1.00 25.00 N ATOM 806 CA GLN A 47 1.432 -10.564 -4.357 1.00 25.00 C ATOM 807 C GLN A 47 0.507 -11.698 -3.907 1.00 25.00 C ATOM 808 O GLN A 47 -0.315 -12.178 -4.678 1.00 25.00 O ATOM 809 CB GLN A 47 2.775 -11.129 -4.823 1.00 25.00 C ATOM 810 CG GLN A 47 2.723 -11.935 -6.101 1.00 25.00 C ATOM 811 CD GLN A 47 4.110 -12.317 -6.572 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.996 -12.601 -5.779 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.313 -12.299 -7.860 1.00 25.00 N ATOM 0 H GLN A 47 2.649 -9.604 -2.951 1.00 25.00 H new ATOM 0 HA GLN A 47 0.935 -10.046 -5.177 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.471 -10.302 -4.962 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.181 -11.758 -4.031 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.131 -12.836 -5.940 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.220 -11.357 -6.877 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.551 -12.057 -8.493 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.234 -12.527 -8.234 1.00 25.00 H new ATOM 822 N GLU A 48 0.623 -12.093 -2.646 1.00 25.00 N ATOM 823 CA GLU A 48 -0.247 -13.127 -2.078 1.00 25.00 C ATOM 824 C GLU A 48 -1.695 -12.639 -2.012 1.00 25.00 C ATOM 825 O GLU A 48 -2.630 -13.438 -2.058 1.00 25.00 O ATOM 826 CB GLU A 48 0.216 -13.471 -0.657 1.00 25.00 C ATOM 827 CG GLU A 48 1.470 -14.342 -0.590 1.00 25.00 C ATOM 828 CD GLU A 48 1.203 -15.789 -0.986 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.241 -16.382 -0.440 1.00 25.00 O ATOM 830 OE2 GLU A 48 1.985 -16.357 -1.766 1.00 25.00 O ATOM 0 H GLU A 48 1.310 -11.716 -1.993 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.191 -14.007 -2.718 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.404 -12.544 -0.116 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.595 -13.984 -0.139 1.00 25.00 H new ATOM 0 HG2 GLU A 48 2.233 -13.925 -1.247 1.00 25.00 H new ATOM 0 HG3 GLU A 48 1.872 -14.315 0.423 1.00 25.00 H new ATOM 837 N GLY A 49 -1.872 -11.330 -1.857 1.00 25.00 N ATOM 838 CA GLY A 49 -3.202 -10.735 -1.772 1.00 25.00 C ATOM 839 C GLY A 49 -4.033 -11.255 -0.611 1.00 25.00 C ATOM 840 O GLY A 49 -5.251 -11.133 -0.606 1.00 25.00 O ATOM 0 H GLY A 49 -1.107 -10.659 -1.787 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.101 -9.654 -1.679 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.736 -10.926 -2.703 1.00 25.00 H new ATOM 844 N THR A 50 -3.375 -11.881 0.350 1.00 25.00 N ATOM 845 CA THR A 50 -4.053 -12.546 1.455 1.00 25.00 C ATOM 846 C THR A 50 -3.448 -12.065 2.757 1.00 25.00 C ATOM 847 O THR A 50 -2.222 -12.038 2.907 1.00 25.00 O ATOM 848 CB THR A 50 -3.878 -14.075 1.347 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.308 -14.521 0.057 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.694 -14.810 2.396 1.00 25.00 C ATOM 0 H THR A 50 -2.358 -11.944 0.388 1.00 25.00 H new ATOM 0 HA THR A 50 -5.117 -12.310 1.421 1.00 25.00 H new ATOM 0 HB THR A 50 -2.821 -14.292 1.503 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.688 -14.191 -0.627 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.544 -15.884 2.287 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.374 -14.498 3.390 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.750 -14.576 2.265 1.00 25.00 H new ATOM 858 N ILE A 51 -4.294 -11.692 3.702 1.00 25.00 N ATOM 859 CA ILE A 51 -3.830 -11.206 4.990 1.00 25.00 C ATOM 860 C ILE A 51 -4.160 -12.256 6.016 1.00 25.00 C ATOM 861 O ILE A 51 -5.309 -12.506 6.367 1.00 25.00 O ATOM 862 CB ILE A 51 -4.486 -9.892 5.409 1.00 25.00 C ATOM 863 CG1 ILE A 51 -4.329 -8.811 4.336 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.907 -9.392 6.763 1.00 25.00 C ATOM 865 CD1 ILE A 51 -2.936 -8.354 3.966 1.00 25.00 C ATOM 0 H ILE A 51 -5.309 -11.717 3.601 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.759 -11.016 4.913 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.551 -10.089 5.532 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -4.810 -9.174 3.428 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -4.888 -7.935 4.665 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.389 -8.455 7.041 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.092 -10.138 7.536 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.834 -9.232 6.663 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -2.998 -7.587 3.194 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -2.442 -7.943 4.847 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -2.363 -9.202 3.590 1.00 25.00 H new ATOM 877 N ASP A 52 -3.113 -12.873 6.504 1.00 25.00 N ATOM 878 CA ASP A 52 -3.242 -13.910 7.514 1.00 25.00 C ATOM 879 C ASP A 52 -1.998 -13.926 8.356 1.00 25.00 C ATOM 880 O ASP A 52 -0.957 -13.384 7.984 1.00 25.00 O ATOM 881 CB ASP A 52 -3.516 -15.279 6.878 1.00 25.00 C ATOM 882 CG ASP A 52 -2.486 -16.318 7.239 1.00 25.00 C ATOM 883 OD1 ASP A 52 -2.660 -17.010 8.267 1.00 25.00 O ATOM 884 OD2 ASP A 52 -1.484 -16.447 6.512 1.00 25.00 O ATOM 0 H ASP A 52 -2.153 -12.678 6.220 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.099 -13.690 8.151 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.500 -15.628 7.192 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.547 -15.169 5.794 1.00 25.00 H new ATOM 889 N ILE A 53 -2.140 -14.493 9.533 1.00 25.00 N ATOM 890 CA ILE A 53 -1.089 -14.440 10.533 1.00 25.00 C ATOM 891 C ILE A 53 0.132 -15.247 10.113 1.00 25.00 C ATOM 892 O ILE A 53 1.248 -14.869 10.425 1.00 25.00 O ATOM 893 CB ILE A 53 -1.612 -14.896 11.936 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.642 -14.471 13.043 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.784 -16.427 12.022 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.519 -12.989 13.272 1.00 25.00 C ATOM 0 H ILE A 53 -2.976 -14.999 9.825 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.778 -13.399 10.616 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.582 -14.416 12.070 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.957 -14.939 13.976 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.346 -14.866 12.806 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.149 -16.697 13.013 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.501 -16.755 11.270 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.824 -16.912 11.844 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.193 -12.803 14.076 1.00 25.00 H new ATOM 0 HD12 ILE A 53 -0.169 -12.508 12.359 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -1.492 -12.581 13.547 1.00 25.00 H new ATOM 908 N LYS A 54 -0.059 -16.334 9.377 1.00 25.00 N ATOM 909 CA LYS A 54 1.064 -17.175 8.962 1.00 25.00 C ATOM 910 C LYS A 54 1.923 -16.423 7.954 1.00 25.00 C ATOM 911 O LYS A 54 3.147 -16.504 7.993 1.00 25.00 O ATOM 912 CB LYS A 54 0.563 -18.486 8.347 1.00 25.00 C ATOM 913 CG LYS A 54 -0.232 -19.364 9.328 1.00 25.00 C ATOM 914 CD LYS A 54 -0.937 -20.534 8.625 1.00 25.00 C ATOM 915 CE LYS A 54 -2.140 -20.051 7.801 1.00 25.00 C ATOM 916 NZ LYS A 54 -2.916 -21.179 7.188 1.00 25.00 N ATOM 0 H LYS A 54 -0.972 -16.655 9.055 1.00 25.00 H new ATOM 0 HA LYS A 54 1.662 -17.415 9.841 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.066 -18.257 7.487 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.417 -19.053 7.976 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.442 -19.754 10.091 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.973 -18.752 9.841 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -0.230 -21.048 7.973 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.270 -21.259 9.368 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.801 -19.467 8.441 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -1.790 -19.386 7.012 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -3.715 -20.795 6.644 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -2.296 -21.723 6.555 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -3.276 -21.802 7.939 1.00 25.00 H new ATOM 930 N ARG A 55 1.289 -15.645 7.088 1.00 25.00 N ATOM 931 CA ARG A 55 2.026 -14.825 6.126 1.00 25.00 C ATOM 932 C ARG A 55 2.653 -13.663 6.866 1.00 25.00 C ATOM 933 O ARG A 55 3.752 -13.245 6.547 1.00 25.00 O ATOM 934 CB ARG A 55 1.085 -14.302 5.041 1.00 25.00 C ATOM 935 CG ARG A 55 0.664 -15.373 4.054 1.00 25.00 C ATOM 936 CD ARG A 55 -0.452 -14.877 3.163 1.00 25.00 C ATOM 937 NE ARG A 55 -0.769 -15.849 2.108 1.00 25.00 N ATOM 938 CZ ARG A 55 -1.630 -16.850 2.200 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.294 -17.118 3.300 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.818 -17.593 1.150 1.00 25.00 N ATOM 0 H ARG A 55 0.274 -15.562 7.028 1.00 25.00 H new ATOM 0 HA ARG A 55 2.799 -15.427 5.648 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.197 -13.880 5.511 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.576 -13.492 4.502 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.518 -15.667 3.444 1.00 25.00 H new ATOM 0 HG3 ARG A 55 0.336 -16.262 4.593 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.342 -14.687 3.764 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.164 -13.928 2.711 1.00 25.00 H new ATOM 0 HE ARG A 55 -0.279 -15.742 1.220 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.156 -16.544 4.132 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -2.948 -17.901 3.323 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -1.309 -17.397 0.288 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -2.475 -18.372 1.188 1.00 25.00 H new ATOM 954 N TRP A 56 1.985 -13.178 7.899 1.00 25.00 N ATOM 955 CA TRP A 56 2.546 -12.105 8.706 1.00 25.00 C ATOM 956 C TRP A 56 3.801 -12.566 9.451 1.00 25.00 C ATOM 957 O TRP A 56 4.714 -11.773 9.647 1.00 25.00 O ATOM 958 CB TRP A 56 1.512 -11.551 9.685 1.00 25.00 C ATOM 959 CG TRP A 56 1.906 -10.200 10.202 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.287 -9.876 11.459 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.986 -8.968 9.452 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.594 -8.551 11.568 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.434 -7.957 10.351 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.739 -8.621 8.109 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.656 -6.627 9.941 1.00 25.00 C ATOM 966 CZ3 TRP A 56 1.956 -7.282 7.693 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.417 -6.299 8.618 1.00 25.00 C ATOM 0 H TRP A 56 1.066 -13.504 8.197 1.00 25.00 H new ATOM 0 HA TRP A 56 2.834 -11.303 8.026 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.543 -11.483 9.191 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.396 -12.241 10.521 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.341 -10.580 12.276 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.895 -8.081 12.422 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.390 -9.363 7.407 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.004 -5.882 10.642 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.770 -7.004 6.666 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.582 -5.286 8.282 1.00 25.00 H new ATOM 978 N ARG A 57 3.892 -13.851 9.800 1.00 25.00 N ATOM 979 CA ARG A 57 5.122 -14.374 10.431 1.00 25.00 C ATOM 980 C ARG A 57 6.292 -14.124 9.481 1.00 25.00 C ATOM 981 O ARG A 57 7.342 -13.657 9.889 1.00 25.00 O ATOM 982 CB ARG A 57 5.077 -15.891 10.737 1.00 25.00 C ATOM 983 CG ARG A 57 3.828 -16.459 11.446 1.00 25.00 C ATOM 984 CD ARG A 57 3.416 -15.741 12.719 1.00 25.00 C ATOM 985 NE ARG A 57 2.478 -16.534 13.543 1.00 25.00 N ATOM 986 CZ ARG A 57 1.817 -16.078 14.607 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.967 -14.859 15.055 1.00 25.00 N ATOM 988 NH2 ARG A 57 0.966 -16.850 15.223 1.00 25.00 N ATOM 0 H ARG A 57 3.152 -14.540 9.664 1.00 25.00 H new ATOM 0 HA ARG A 57 5.229 -13.856 11.384 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.195 -16.424 9.793 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.946 -16.132 11.350 1.00 25.00 H new ATOM 0 HG2 ARG A 57 2.992 -16.432 10.748 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.012 -17.507 11.684 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.305 -15.512 13.306 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.951 -14.790 12.461 1.00 25.00 H new ATOM 0 HE ARG A 57 2.325 -17.506 13.276 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.608 -14.219 14.587 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.443 -14.548 15.873 1.00 25.00 H new ATOM 0 HH21 ARG A 57 0.807 -17.801 14.891 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.459 -16.503 16.037 1.00 25.00 H new ATOM 1002 N ARG A 58 6.069 -14.394 8.201 1.00 25.00 N ATOM 1003 CA ARG A 58 7.106 -14.246 7.171 1.00 25.00 C ATOM 1004 C ARG A 58 7.552 -12.813 6.947 1.00 25.00 C ATOM 1005 O ARG A 58 8.670 -12.575 6.526 1.00 25.00 O ATOM 1006 CB ARG A 58 6.613 -14.821 5.844 1.00 25.00 C ATOM 1007 CG ARG A 58 6.291 -16.309 5.903 1.00 25.00 C ATOM 1008 CD ARG A 58 7.263 -17.086 5.050 1.00 25.00 C ATOM 1009 NE ARG A 58 8.636 -16.984 5.588 1.00 25.00 N ATOM 1010 CZ ARG A 58 9.756 -16.964 4.875 1.00 25.00 C ATOM 1011 NH1 ARG A 58 9.768 -17.049 3.566 1.00 25.00 N ATOM 1012 NH2 ARG A 58 10.888 -16.851 5.505 1.00 25.00 N ATOM 0 H ARG A 58 5.172 -14.720 7.842 1.00 25.00 H new ATOM 0 HA ARG A 58 7.971 -14.796 7.542 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.721 -14.277 5.532 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.373 -14.653 5.081 1.00 25.00 H new ATOM 0 HG2 ARG A 58 6.340 -16.659 6.934 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.272 -16.482 5.556 1.00 25.00 H new ATOM 0 HD2 ARG A 58 6.961 -18.133 5.009 1.00 25.00 H new ATOM 0 HD3 ARG A 58 7.240 -16.707 4.028 1.00 25.00 H new ATOM 0 HE ARG A 58 8.732 -16.923 6.602 1.00 25.00 H new ATOM 0 HH11 ARG A 58 8.891 -17.135 3.052 1.00 25.00 H new ATOM 0 HH12 ARG A 58 10.654 -17.029 3.062 1.00 25.00 H new ATOM 0 HH21 ARG A 58 10.901 -16.780 6.522 1.00 25.00 H new ATOM 0 HH22 ARG A 58 11.763 -16.833 4.982 1.00 25.00 H new ATOM 1026 N VAL A 59 6.698 -11.855 7.258 1.00 25.00 N ATOM 1027 CA VAL A 59 7.077 -10.445 7.158 1.00 25.00 C ATOM 1028 C VAL A 59 8.145 -10.170 8.202 1.00 25.00 C ATOM 1029 O VAL A 59 9.104 -9.438 7.969 1.00 25.00 O ATOM 1030 CB VAL A 59 5.863 -9.524 7.418 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.269 -8.064 7.387 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.794 -9.796 6.396 1.00 25.00 C ATOM 0 H VAL A 59 5.744 -12.018 7.580 1.00 25.00 H new ATOM 0 HA VAL A 59 7.448 -10.242 6.153 1.00 25.00 H new ATOM 0 HB VAL A 59 5.471 -9.738 8.412 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.395 -7.439 7.573 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.018 -7.878 8.157 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.686 -7.823 6.409 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.939 -9.145 6.582 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.187 -9.603 5.398 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.480 -10.837 6.467 1.00 25.00 H new ATOM 1042 N GLY A 60 7.990 -10.807 9.349 1.00 25.00 N ATOM 1043 CA GLY A 60 8.952 -10.656 10.414 1.00 25.00 C ATOM 1044 C GLY A 60 10.257 -11.339 10.071 1.00 25.00 C ATOM 1045 O GLY A 60 11.321 -10.795 10.354 1.00 25.00 O ATOM 0 H GLY A 60 7.210 -11.429 9.562 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.130 -9.597 10.599 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.549 -11.077 11.335 1.00 25.00 H new ATOM 1049 N ASP A 61 10.179 -12.488 9.406 1.00 25.00 N ATOM 1050 CA ASP A 61 11.382 -13.200 8.943 1.00 25.00 C ATOM 1051 C ASP A 61 12.141 -12.262 8.010 1.00 25.00 C ATOM 1052 O ASP A 61 13.350 -12.114 8.090 1.00 25.00 O ATOM 1053 CB ASP A 61 11.041 -14.466 8.128 1.00 25.00 C ATOM 1054 CG ASP A 61 10.220 -15.490 8.901 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.107 -15.420 10.136 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.645 -16.378 8.214 1.00 25.00 O ATOM 0 H ASP A 61 9.301 -12.951 9.172 1.00 25.00 H new ATOM 0 HA ASP A 61 11.957 -13.496 9.821 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.492 -14.174 7.233 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.968 -14.933 7.795 1.00 25.00 H new ATOM 1061 N CYS A 62 11.394 -11.607 7.136 1.00 25.00 N ATOM 1062 CA CYS A 62 11.964 -10.688 6.164 1.00 25.00 C ATOM 1063 C CYS A 62 12.668 -9.511 6.827 1.00 25.00 C ATOM 1064 O CYS A 62 13.779 -9.165 6.443 1.00 25.00 O ATOM 1065 CB CYS A 62 10.860 -10.158 5.258 1.00 25.00 C ATOM 1066 SG CYS A 62 11.077 -10.582 3.516 1.00 25.00 S ATOM 0 H CYS A 62 10.379 -11.697 7.080 1.00 25.00 H new ATOM 0 HA CYS A 62 12.705 -11.241 5.588 1.00 25.00 H new ATOM 0 HB2 CYS A 62 9.902 -10.550 5.601 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.813 -9.073 5.355 1.00 25.00 H new ATOM 0 HG CYS A 62 11.130 -9.493 2.808 1.00 25.00 H new ATOM 1072 N PHE A 63 12.045 -8.896 7.825 1.00 25.00 N ATOM 1073 CA PHE A 63 12.691 -7.778 8.509 1.00 25.00 C ATOM 1074 C PHE A 63 13.938 -8.271 9.219 1.00 25.00 C ATOM 1075 O PHE A 63 14.933 -7.571 9.255 1.00 25.00 O ATOM 1076 CB PHE A 63 11.791 -7.123 9.562 1.00 25.00 C ATOM 1077 CG PHE A 63 10.565 -6.430 9.005 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.617 -5.697 7.799 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.350 -6.477 9.716 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.465 -5.033 7.302 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.199 -5.803 9.232 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.258 -5.086 8.021 1.00 25.00 C ATOM 0 H PHE A 63 11.118 -9.142 8.173 1.00 25.00 H new ATOM 0 HA PHE A 63 12.923 -7.039 7.742 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.469 -7.886 10.271 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.380 -6.396 10.122 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.544 -5.641 7.248 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.294 -7.033 10.640 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.516 -4.487 6.372 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.277 -5.840 9.793 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.381 -4.580 7.647 1.00 25.00 H new ATOM 1092 N GLN A 64 13.877 -9.465 9.792 1.00 25.00 N ATOM 1093 CA GLN A 64 15.009 -10.022 10.532 1.00 25.00 C ATOM 1094 C GLN A 64 16.180 -10.268 9.598 1.00 25.00 C ATOM 1095 O GLN A 64 17.310 -9.896 9.894 1.00 25.00 O ATOM 1096 CB GLN A 64 14.594 -11.338 11.198 1.00 25.00 C ATOM 1097 CG GLN A 64 15.692 -11.999 12.014 1.00 25.00 C ATOM 1098 CD GLN A 64 15.295 -13.379 12.475 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.903 -13.576 13.616 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.390 -14.341 11.593 1.00 25.00 N ATOM 0 H GLN A 64 13.056 -10.070 9.761 1.00 25.00 H new ATOM 0 HA GLN A 64 15.314 -9.308 11.297 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.739 -11.149 11.847 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.262 -12.033 10.427 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.601 -12.063 11.416 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.924 -11.379 12.880 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.722 -14.137 10.650 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.132 -15.294 11.848 1.00 25.00 H new ATOM 1109 N ASP A 65 15.914 -10.895 8.469 1.00 25.00 N ATOM 1110 CA ASP A 65 16.972 -11.240 7.531 1.00 25.00 C ATOM 1111 C ASP A 65 17.577 -9.979 6.931 1.00 25.00 C ATOM 1112 O ASP A 65 18.796 -9.862 6.801 1.00 25.00 O ATOM 1113 CB ASP A 65 16.423 -12.135 6.423 1.00 25.00 C ATOM 1114 CG ASP A 65 16.054 -13.533 6.925 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.466 -13.904 8.055 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.360 -14.266 6.184 1.00 25.00 O ATOM 0 H ASP A 65 14.978 -11.177 8.177 1.00 25.00 H new ATOM 0 HA ASP A 65 17.751 -11.782 8.068 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.542 -11.666 5.985 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.165 -12.222 5.630 1.00 25.00 H new ATOM 1121 N TYR A 66 16.735 -9.010 6.602 1.00 25.00 N ATOM 1122 CA TYR A 66 17.216 -7.746 6.049 1.00 25.00 C ATOM 1123 C TYR A 66 18.029 -7.003 7.113 1.00 25.00 C ATOM 1124 O TYR A 66 19.066 -6.419 6.817 1.00 25.00 O ATOM 1125 CB TYR A 66 16.031 -6.896 5.575 1.00 25.00 C ATOM 1126 CG TYR A 66 16.350 -5.939 4.435 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.330 -4.929 4.563 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.660 -6.046 3.209 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.611 -4.045 3.485 1.00 25.00 C ATOM 1130 CE2 TYR A 66 15.932 -5.158 2.137 1.00 25.00 C ATOM 1131 CZ TYR A 66 16.903 -4.169 2.286 1.00 25.00 C ATOM 1132 OH TYR A 66 17.146 -3.317 1.238 1.00 25.00 O ATOM 0 H TYR A 66 15.722 -9.071 6.706 1.00 25.00 H new ATOM 0 HA TYR A 66 17.858 -7.942 5.190 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.228 -7.561 5.259 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.654 -6.320 6.420 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.872 -4.827 5.491 1.00 25.00 H new ATOM 0 HD2 TYR A 66 14.913 -6.816 3.085 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.368 -3.282 3.592 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.388 -5.248 1.208 1.00 25.00 H new ATOM 0 HH TYR A 66 16.564 -3.550 0.485 1.00 25.00 H new ATOM 1142 N PHE A 67 17.586 -7.069 8.362 1.00 25.00 N ATOM 1143 CA PHE A 67 18.307 -6.428 9.470 1.00 25.00 C ATOM 1144 C PHE A 67 19.672 -7.082 9.675 1.00 25.00 C ATOM 1145 O PHE A 67 20.657 -6.398 9.913 1.00 25.00 O ATOM 1146 CB PHE A 67 17.479 -6.533 10.756 1.00 25.00 C ATOM 1147 CG PHE A 67 18.092 -5.840 11.940 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.033 -6.504 12.751 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.711 -4.529 12.271 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.599 -5.860 13.878 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.258 -3.880 13.399 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.210 -4.545 14.201 1.00 25.00 C ATOM 0 H PHE A 67 16.734 -7.557 8.639 1.00 25.00 H new ATOM 0 HA PHE A 67 18.461 -5.378 9.224 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.490 -6.112 10.574 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.337 -7.586 10.999 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.326 -7.515 12.511 1.00 25.00 H new ATOM 0 HD2 PHE A 67 16.991 -4.011 11.655 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.326 -6.375 14.488 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.948 -2.876 13.648 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.639 -4.048 15.059 1.00 25.00 H new ATOM 1162 N ASN A 68 19.742 -8.397 9.547 1.00 25.00 N ATOM 1163 CA ASN A 68 21.013 -9.104 9.715 1.00 25.00 C ATOM 1164 C ASN A 68 21.964 -8.791 8.562 1.00 25.00 C ATOM 1165 O ASN A 68 23.176 -8.760 8.736 1.00 25.00 O ATOM 1166 CB ASN A 68 20.783 -10.619 9.775 1.00 25.00 C ATOM 1167 CG ASN A 68 20.075 -11.052 11.035 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.197 -10.430 12.079 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.351 -12.135 10.951 1.00 25.00 N ATOM 0 H ASN A 68 18.946 -8.996 9.330 1.00 25.00 H new ATOM 0 HA ASN A 68 21.458 -8.766 10.651 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.197 -10.928 8.910 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.743 -11.131 9.709 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.864 -12.488 11.775 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.272 -12.628 10.062 1.00 25.00 H new ATOM 1176 N THR A 69 21.406 -8.574 7.380 1.00 25.00 N ATOM 1177 CA THR A 69 22.204 -8.304 6.184 1.00 25.00 C ATOM 1178 C THR A 69 22.705 -6.856 6.121 1.00 25.00 C ATOM 1179 O THR A 69 23.827 -6.598 5.693 1.00 25.00 O ATOM 1180 CB THR A 69 21.356 -8.573 4.907 1.00 25.00 C ATOM 1181 OG1 THR A 69 20.821 -9.898 4.964 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.190 -8.471 3.638 1.00 25.00 C ATOM 0 H THR A 69 20.399 -8.579 7.219 1.00 25.00 H new ATOM 0 HA THR A 69 23.067 -8.967 6.234 1.00 25.00 H new ATOM 0 HB THR A 69 20.568 -7.820 4.878 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.090 -9.928 5.616 1.00 25.00 H new ATOM 0 HG21 THR A 69 21.559 -8.666 2.771 1.00 25.00 H new ATOM 0 HG22 THR A 69 22.614 -7.470 3.561 1.00 25.00 H new ATOM 0 HG23 THR A 69 22.996 -9.204 3.672 1.00 25.00 H new ATOM 1190 N PHE A 70 21.849 -5.912 6.490 1.00 25.00 N ATOM 1191 CA PHE A 70 22.130 -4.491 6.276 1.00 25.00 C ATOM 1192 C PHE A 70 22.213 -3.631 7.543 1.00 25.00 C ATOM 1193 O PHE A 70 22.436 -2.421 7.471 1.00 25.00 O ATOM 1194 CB PHE A 70 21.059 -3.930 5.349 1.00 25.00 C ATOM 1195 CG PHE A 70 21.602 -3.411 4.050 1.00 25.00 C ATOM 1196 CD1 PHE A 70 22.351 -2.219 4.014 1.00 25.00 C ATOM 1197 CD2 PHE A 70 21.380 -4.116 2.853 1.00 25.00 C ATOM 1198 CE1 PHE A 70 22.876 -1.730 2.792 1.00 25.00 C ATOM 1199 CE2 PHE A 70 21.899 -3.638 1.624 1.00 25.00 C ATOM 1200 CZ PHE A 70 22.649 -2.442 1.595 1.00 25.00 C ATOM 0 H PHE A 70 20.953 -6.101 6.939 1.00 25.00 H new ATOM 0 HA PHE A 70 23.129 -4.442 5.844 1.00 25.00 H new ATOM 0 HB2 PHE A 70 20.325 -4.709 5.141 1.00 25.00 H new ATOM 0 HB3 PHE A 70 20.532 -3.125 5.861 1.00 25.00 H new ATOM 0 HD1 PHE A 70 22.527 -1.671 4.928 1.00 25.00 H new ATOM 0 HD2 PHE A 70 20.808 -5.032 2.871 1.00 25.00 H new ATOM 0 HE1 PHE A 70 23.449 -0.814 2.777 1.00 25.00 H new ATOM 0 HE2 PHE A 70 21.721 -4.187 0.711 1.00 25.00 H new ATOM 0 HZ PHE A 70 23.047 -2.074 0.661 1.00 25.00 H new ATOM 1210 N GLY A 71 22.061 -4.252 8.700 1.00 25.00 N ATOM 1211 CA GLY A 71 22.224 -3.547 9.961 1.00 25.00 C ATOM 1212 C GLY A 71 21.061 -2.663 10.394 1.00 25.00 C ATOM 1213 O GLY A 71 20.066 -2.497 9.669 1.00 25.00 O ATOM 0 H GLY A 71 21.826 -5.240 8.793 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.404 -4.283 10.744 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.118 -2.928 9.894 1.00 25.00 H new ATOM 1217 N PRO A 72 21.173 -2.048 11.590 1.00 25.00 N ATOM 1218 CA PRO A 72 20.113 -1.197 12.148 1.00 25.00 C ATOM 1219 C PRO A 72 19.962 0.155 11.461 1.00 25.00 C ATOM 1220 O PRO A 72 19.004 0.885 11.709 1.00 25.00 O ATOM 1221 CB PRO A 72 20.560 -1.011 13.600 1.00 25.00 C ATOM 1222 CG PRO A 72 22.032 -1.059 13.528 1.00 25.00 C ATOM 1223 CD PRO A 72 22.317 -2.143 12.518 1.00 25.00 C ATOM 0 HA PRO A 72 19.133 -1.657 12.021 1.00 25.00 H new ATOM 0 HB2 PRO A 72 20.211 -0.062 14.007 1.00 25.00 H new ATOM 0 HB3 PRO A 72 20.166 -1.798 14.243 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.447 -0.102 13.213 1.00 25.00 H new ATOM 0 HG3 PRO A 72 22.471 -1.293 14.498 1.00 25.00 H new ATOM 0 HD2 PRO A 72 23.265 -1.978 12.007 1.00 25.00 H new ATOM 0 HD3 PRO A 72 22.375 -3.125 12.987 1.00 25.00 H new ATOM 1231 N GLU A 73 20.919 0.502 10.616 1.00 25.00 N ATOM 1232 CA GLU A 73 20.884 1.773 9.906 1.00 25.00 C ATOM 1233 C GLU A 73 19.900 1.699 8.743 1.00 25.00 C ATOM 1234 O GLU A 73 19.228 2.676 8.421 1.00 25.00 O ATOM 1235 CB GLU A 73 22.281 2.120 9.395 1.00 25.00 C ATOM 1236 CG GLU A 73 23.301 2.274 10.527 1.00 25.00 C ATOM 1237 CD GLU A 73 24.679 2.688 10.032 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.844 2.916 8.814 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.600 2.776 10.870 1.00 25.00 O ATOM 0 H GLU A 73 21.731 -0.078 10.404 1.00 25.00 H new ATOM 0 HA GLU A 73 20.554 2.554 10.591 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.618 1.341 8.711 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.235 3.047 8.824 1.00 25.00 H new ATOM 0 HG2 GLU A 73 22.938 3.016 11.238 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.383 1.330 11.066 1.00 25.00 H new ATOM 1246 N LYS A 74 19.797 0.528 8.125 1.00 25.00 N ATOM 1247 CA LYS A 74 18.872 0.345 7.005 1.00 25.00 C ATOM 1248 C LYS A 74 17.499 -0.088 7.496 1.00 25.00 C ATOM 1249 O LYS A 74 16.484 0.403 7.001 1.00 25.00 O ATOM 1250 CB LYS A 74 19.433 -0.679 6.021 1.00 25.00 C ATOM 1251 CG LYS A 74 19.204 -0.347 4.531 1.00 25.00 C ATOM 1252 CD LYS A 74 17.729 -0.398 4.122 1.00 25.00 C ATOM 1253 CE LYS A 74 17.574 -0.269 2.609 1.00 25.00 C ATOM 1254 NZ LYS A 74 16.126 -0.345 2.185 1.00 25.00 N ATOM 0 H LYS A 74 20.334 -0.302 8.374 1.00 25.00 H new ATOM 0 HA LYS A 74 18.761 1.301 6.494 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.504 -0.778 6.195 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.984 -1.649 6.234 1.00 25.00 H new ATOM 0 HG2 LYS A 74 19.598 0.648 4.322 1.00 25.00 H new ATOM 0 HG3 LYS A 74 19.769 -1.049 3.918 1.00 25.00 H new ATOM 0 HD2 LYS A 74 17.288 -1.337 4.457 1.00 25.00 H new ATOM 0 HD3 LYS A 74 17.183 0.406 4.617 1.00 25.00 H new ATOM 0 HE2 LYS A 74 18.000 0.679 2.279 1.00 25.00 H new ATOM 0 HE3 LYS A 74 18.139 -1.061 2.117 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 16.062 -0.254 1.151 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 15.726 -1.260 2.477 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 15.592 0.426 2.635 1.00 25.00 H new ATOM 1268 N VAL A 75 17.447 -0.990 8.468 1.00 25.00 N ATOM 1269 CA VAL A 75 16.156 -1.396 9.023 1.00 25.00 C ATOM 1270 C VAL A 75 16.126 -0.939 10.475 1.00 25.00 C ATOM 1271 O VAL A 75 17.020 -1.265 11.242 1.00 25.00 O ATOM 1272 CB VAL A 75 16.010 -2.951 8.973 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.660 -3.414 9.559 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.146 -3.446 7.535 1.00 25.00 C ATOM 0 H VAL A 75 18.260 -1.446 8.882 1.00 25.00 H new ATOM 0 HA VAL A 75 15.341 -0.954 8.449 1.00 25.00 H new ATOM 0 HB VAL A 75 16.807 -3.378 9.583 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.594 -4.501 9.507 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.586 -3.095 10.599 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.844 -2.974 8.986 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.043 -4.531 7.512 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.368 -2.994 6.920 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.125 -3.167 7.145 1.00 25.00 H new ATOM 1284 N PRO A 76 15.048 -0.265 10.901 1.00 25.00 N ATOM 1285 CA PRO A 76 15.067 0.127 12.311 1.00 25.00 C ATOM 1286 C PRO A 76 14.618 -0.995 13.233 1.00 25.00 C ATOM 1287 O PRO A 76 13.779 -1.811 12.869 1.00 25.00 O ATOM 1288 CB PRO A 76 14.076 1.285 12.348 1.00 25.00 C ATOM 1289 CG PRO A 76 13.077 0.948 11.298 1.00 25.00 C ATOM 1290 CD PRO A 76 13.853 0.251 10.202 1.00 25.00 C ATOM 0 HA PRO A 76 16.068 0.384 12.658 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.608 1.376 13.328 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.567 2.236 12.139 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.295 0.302 11.695 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.588 1.846 10.921 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.274 -0.554 9.750 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.122 0.939 9.401 1.00 25.00 H new ATOM 1298 N VAL A 77 15.084 -0.978 14.472 1.00 25.00 N ATOM 1299 CA VAL A 77 14.621 -1.955 15.458 1.00 25.00 C ATOM 1300 C VAL A 77 13.135 -1.731 15.774 1.00 25.00 C ATOM 1301 O VAL A 77 12.432 -2.638 16.214 1.00 25.00 O ATOM 1302 CB VAL A 77 15.466 -1.898 16.765 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.917 -2.301 16.473 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.435 -0.489 17.398 1.00 25.00 C ATOM 0 H VAL A 77 15.773 -0.311 14.820 1.00 25.00 H new ATOM 0 HA VAL A 77 14.748 -2.947 15.025 1.00 25.00 H new ATOM 0 HB VAL A 77 15.027 -2.599 17.475 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.499 -2.258 17.394 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.940 -3.316 16.077 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.345 -1.616 15.741 1.00 25.00 H new ATOM 0 HG21 VAL A 77 16.035 -0.486 18.308 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.842 0.236 16.693 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.407 -0.222 17.640 1.00 25.00 H new ATOM 1314 N THR A 78 12.633 -0.535 15.486 1.00 25.00 N ATOM 1315 CA THR A 78 11.220 -0.243 15.712 1.00 25.00 C ATOM 1316 C THR A 78 10.344 -0.934 14.678 1.00 25.00 C ATOM 1317 O THR A 78 9.156 -1.096 14.899 1.00 25.00 O ATOM 1318 CB THR A 78 10.923 1.283 15.725 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.766 1.535 16.523 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.674 1.850 14.343 1.00 25.00 C ATOM 0 H THR A 78 13.174 0.239 15.101 1.00 25.00 H new ATOM 0 HA THR A 78 10.980 -0.635 16.700 1.00 25.00 H new ATOM 0 HB THR A 78 11.808 1.770 16.134 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.579 2.497 16.533 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.473 2.919 14.419 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.554 1.690 13.720 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.816 1.350 13.894 1.00 25.00 H new ATOM 1328 N ALA A 79 10.921 -1.386 13.568 1.00 25.00 N ATOM 1329 CA ALA A 79 10.129 -2.086 12.562 1.00 25.00 C ATOM 1330 C ALA A 79 9.549 -3.356 13.175 1.00 25.00 C ATOM 1331 O ALA A 79 8.416 -3.707 12.907 1.00 25.00 O ATOM 1332 CB ALA A 79 10.981 -2.417 11.344 1.00 25.00 C ATOM 0 H ALA A 79 11.911 -1.284 13.345 1.00 25.00 H new ATOM 0 HA ALA A 79 9.314 -1.442 12.233 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.373 -2.939 10.605 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.368 -1.495 10.910 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.813 -3.054 11.644 1.00 25.00 H new ATOM 1338 N PHE A 80 10.316 -4.012 14.035 1.00 25.00 N ATOM 1339 CA PHE A 80 9.855 -5.228 14.702 1.00 25.00 C ATOM 1340 C PHE A 80 8.791 -4.912 15.750 1.00 25.00 C ATOM 1341 O PHE A 80 7.876 -5.698 15.986 1.00 25.00 O ATOM 1342 CB PHE A 80 11.034 -5.926 15.377 1.00 25.00 C ATOM 1343 CG PHE A 80 12.130 -6.300 14.423 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.073 -7.514 13.717 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.227 -5.441 14.219 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.097 -7.872 12.818 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.255 -5.781 13.313 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.190 -7.000 12.611 1.00 25.00 C ATOM 0 H PHE A 80 11.261 -3.725 14.289 1.00 25.00 H new ATOM 0 HA PHE A 80 9.417 -5.881 13.948 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.441 -5.272 16.148 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.676 -6.825 15.878 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.235 -8.179 13.865 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.283 -4.510 14.763 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.047 -8.812 12.288 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.087 -5.110 13.159 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.973 -7.268 11.917 1.00 25.00 H new ATOM 1358 N SER A 81 8.903 -3.749 16.369 1.00 25.00 N ATOM 1359 CA SER A 81 7.933 -3.325 17.382 1.00 25.00 C ATOM 1360 C SER A 81 6.607 -3.016 16.695 1.00 25.00 C ATOM 1361 O SER A 81 5.547 -3.479 17.108 1.00 25.00 O ATOM 1362 CB SER A 81 8.442 -2.085 18.123 1.00 25.00 C ATOM 1363 OG SER A 81 7.545 -1.705 19.148 1.00 25.00 O ATOM 0 H SER A 81 9.651 -3.078 16.193 1.00 25.00 H new ATOM 0 HA SER A 81 7.795 -4.125 18.110 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.423 -2.290 18.551 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.566 -1.262 17.420 1.00 25.00 H new ATOM 0 HG SER A 81 7.891 -0.912 19.608 1.00 25.00 H new ATOM 1369 N TYR A 82 6.689 -2.289 15.592 1.00 25.00 N ATOM 1370 CA TYR A 82 5.518 -1.968 14.792 1.00 25.00 C ATOM 1371 C TYR A 82 4.910 -3.229 14.221 1.00 25.00 C ATOM 1372 O TYR A 82 3.702 -3.391 14.213 1.00 25.00 O ATOM 1373 CB TYR A 82 5.904 -1.032 13.653 1.00 25.00 C ATOM 1374 CG TYR A 82 5.672 0.411 13.997 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.651 1.176 14.673 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.451 1.022 13.667 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.407 2.534 15.006 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.207 2.385 13.991 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.187 3.125 14.656 1.00 25.00 C ATOM 1380 OH TYR A 82 4.960 4.443 14.960 1.00 25.00 O ATOM 0 H TYR A 82 7.562 -1.907 15.228 1.00 25.00 H new ATOM 0 HA TYR A 82 4.786 -1.477 15.433 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.955 -1.180 13.405 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.328 -1.288 12.764 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.594 0.722 14.939 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.688 0.449 13.161 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.159 3.109 15.527 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.268 2.846 13.724 1.00 25.00 H new ATOM 0 HH TYR A 82 4.357 4.833 14.293 1.00 25.00 H new ATOM 1390 N TRP A 83 5.755 -4.139 13.771 1.00 25.00 N ATOM 1391 CA TRP A 83 5.301 -5.401 13.210 1.00 25.00 C ATOM 1392 C TRP A 83 4.478 -6.178 14.227 1.00 25.00 C ATOM 1393 O TRP A 83 3.435 -6.744 13.892 1.00 25.00 O ATOM 1394 CB TRP A 83 6.520 -6.232 12.804 1.00 25.00 C ATOM 1395 CG TRP A 83 6.204 -7.614 12.344 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.799 -7.999 11.111 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.290 -8.834 13.115 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.618 -9.346 11.042 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.924 -9.900 12.249 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.648 -9.135 14.446 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.920 -11.243 12.666 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.654 -10.487 14.867 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.293 -11.528 13.965 1.00 25.00 C ATOM 0 H TRP A 83 6.769 -4.027 13.783 1.00 25.00 H new ATOM 0 HA TRP A 83 4.675 -5.197 12.341 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.050 -5.710 12.007 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.201 -6.293 13.653 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.639 -7.322 10.285 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.304 -9.859 10.218 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.914 -8.346 15.134 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.632 -12.032 11.987 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.935 -10.731 15.881 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.311 -12.554 14.301 1.00 25.00 H new ATOM 1414 N ASN A 84 4.929 -6.177 15.474 1.00 25.00 N ATOM 1415 CA ASN A 84 4.235 -6.885 16.547 1.00 25.00 C ATOM 1416 C ASN A 84 2.858 -6.283 16.827 1.00 25.00 C ATOM 1417 O ASN A 84 1.949 -6.999 17.240 1.00 25.00 O ATOM 1418 CB ASN A 84 5.065 -6.867 17.834 1.00 25.00 C ATOM 1419 CG ASN A 84 5.951 -8.077 17.967 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.482 -9.171 18.251 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.223 -7.900 17.758 1.00 25.00 N ATOM 0 H ASN A 84 5.776 -5.692 15.771 1.00 25.00 H new ATOM 0 HA ASN A 84 4.101 -7.914 16.213 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.680 -5.967 17.853 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.396 -6.815 18.693 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.866 -8.689 17.829 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.577 -6.973 17.523 1.00 25.00 H new ATOM 1428 N LEU A 85 2.700 -4.990 16.575 1.00 25.00 N ATOM 1429 CA LEU A 85 1.427 -4.311 16.818 1.00 25.00 C ATOM 1430 C LEU A 85 0.349 -4.861 15.889 1.00 25.00 C ATOM 1431 O LEU A 85 -0.768 -5.107 16.309 1.00 25.00 O ATOM 1432 CB LEU A 85 1.600 -2.794 16.630 1.00 25.00 C ATOM 1433 CG LEU A 85 0.448 -1.879 17.085 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.017 -0.506 17.461 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.623 -1.692 15.998 1.00 25.00 C ATOM 0 H LEU A 85 3.435 -4.388 16.203 1.00 25.00 H new ATOM 0 HA LEU A 85 1.111 -4.496 17.845 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.500 -2.491 17.165 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.779 -2.606 15.571 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.029 -2.357 17.940 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.207 0.148 17.784 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.737 -0.620 18.272 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.513 -0.068 16.595 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.411 -1.038 16.372 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.170 -1.244 15.114 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.049 -2.661 15.736 1.00 25.00 H new ATOM 1447 N ILE A 86 0.679 -5.085 14.627 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.307 -5.642 13.702 1.00 25.00 C ATOM 1449 C ILE A 86 -0.384 -7.153 13.903 1.00 25.00 C ATOM 1450 O ILE A 86 -1.435 -7.764 13.733 1.00 25.00 O ATOM 1451 CB ILE A 86 0.028 -5.335 12.228 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.201 -3.822 12.028 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -1.095 -5.840 11.312 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.629 -3.432 11.731 1.00 25.00 C ATOM 0 H ILE A 86 1.596 -4.897 14.223 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.267 -5.174 13.920 1.00 25.00 H new ATOM 0 HB ILE A 86 0.958 -5.843 11.974 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.439 -3.493 11.209 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.135 -3.301 12.924 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.846 -5.617 10.274 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -1.208 -6.917 11.435 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -2.030 -5.345 11.575 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.691 -2.352 11.599 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.269 -3.734 12.560 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.960 -3.929 10.819 1.00 25.00 H new ATOM 1466 N LYS A 87 0.728 -7.752 14.307 1.00 25.00 N ATOM 1467 CA LYS A 87 0.786 -9.193 14.534 1.00 25.00 C ATOM 1468 C LYS A 87 -0.278 -9.616 15.524 1.00 25.00 C ATOM 1469 O LYS A 87 -1.036 -10.525 15.251 1.00 25.00 O ATOM 1470 CB LYS A 87 2.167 -9.571 15.072 1.00 25.00 C ATOM 1471 CG LYS A 87 2.437 -11.046 15.201 1.00 25.00 C ATOM 1472 CD LYS A 87 3.572 -11.253 16.193 1.00 25.00 C ATOM 1473 CE LYS A 87 3.025 -11.539 17.595 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.134 -11.655 18.601 1.00 25.00 N ATOM 0 H LYS A 87 1.605 -7.263 14.485 1.00 25.00 H new ATOM 0 HA LYS A 87 0.608 -9.705 13.588 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.923 -9.138 14.416 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.293 -9.110 16.052 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.541 -11.565 15.540 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.702 -11.467 14.231 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.199 -12.082 15.867 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.205 -10.366 16.219 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.344 -10.741 17.892 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.446 -12.463 17.580 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 3.729 -11.764 19.553 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.721 -12.484 18.377 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.721 -10.797 18.571 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.345 -8.949 16.663 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.317 -9.317 17.691 1.00 25.00 C ATOM 1490 C GLU A 88 -2.746 -9.004 17.239 1.00 25.00 C ATOM 1491 O GLU A 88 -3.691 -9.676 17.650 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.991 -8.609 19.015 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.121 -7.097 18.962 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.555 -6.417 20.190 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.889 -6.826 21.317 1.00 25.00 O ATOM 1496 OE2 GLU A 88 0.177 -5.414 20.030 1.00 25.00 O ATOM 0 H GLU A 88 0.252 -8.158 16.903 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.251 -10.393 17.851 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.653 -8.992 19.791 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.027 -8.865 19.310 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.607 -6.723 18.076 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.173 -6.831 18.857 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.901 -8.023 16.357 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.222 -7.666 15.850 1.00 25.00 C ATOM 1505 C LEU A 89 -4.752 -8.723 14.892 1.00 25.00 C ATOM 1506 O LEU A 89 -5.935 -9.023 14.919 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.206 -6.290 15.177 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.098 -5.084 16.131 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -4.040 -3.797 15.307 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.269 -5.014 17.125 1.00 25.00 C ATOM 0 H LEU A 89 -2.135 -7.464 15.980 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.895 -7.617 16.706 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.368 -6.256 14.480 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.116 -6.183 14.587 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.187 -5.204 16.718 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.964 -2.940 15.976 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.170 -3.824 14.651 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.945 -3.709 14.706 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.144 -4.147 17.774 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.207 -4.925 16.577 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.287 -5.920 17.730 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.891 -9.324 14.080 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.337 -10.411 13.204 1.00 25.00 C ATOM 1524 C ILE A 90 -4.511 -11.686 14.050 1.00 25.00 C ATOM 1525 O ILE A 90 -5.475 -12.429 13.863 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.345 -10.723 12.030 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.073 -9.487 11.152 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.937 -11.841 11.123 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.853 -9.674 10.183 1.00 25.00 C ATOM 0 H ILE A 90 -2.901 -9.088 14.006 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.274 -10.087 12.751 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.406 -11.041 12.484 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.964 -9.263 10.565 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.890 -8.626 11.795 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.244 -12.054 10.309 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.092 -12.744 11.713 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.890 -11.509 10.711 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.715 -8.768 9.593 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.952 -9.869 10.765 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.043 -10.515 9.517 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.592 -11.926 14.985 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.626 -13.139 15.828 1.00 25.00 C ATOM 1543 C ASP A 91 -4.945 -13.216 16.590 1.00 25.00 C ATOM 1544 O ASP A 91 -5.513 -14.285 16.762 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.463 -13.138 16.845 1.00 25.00 C ATOM 1546 CG ASP A 91 -1.584 -14.391 16.756 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.114 -15.515 16.812 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.336 -14.242 16.655 1.00 25.00 O ATOM 0 H ASP A 91 -2.811 -11.301 15.184 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.526 -14.002 15.170 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.845 -12.256 16.680 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.870 -13.058 17.853 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.441 -12.064 17.023 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.697 -11.992 17.770 1.00 25.00 C ATOM 1555 C LYS A 92 -7.772 -11.225 17.010 1.00 25.00 C ATOM 1556 O LYS A 92 -8.599 -10.535 17.612 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.447 -11.354 19.135 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.440 -12.134 19.960 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.694 -11.948 21.437 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.696 -12.750 22.257 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.979 -12.629 23.727 1.00 25.00 N ATOM 0 H LYS A 92 -4.992 -11.161 16.870 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.066 -13.009 17.905 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -6.088 -10.334 18.997 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.388 -11.289 19.681 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -5.499 -13.193 19.707 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.430 -11.804 19.716 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -5.618 -10.891 21.694 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.709 -12.263 21.679 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.737 -13.798 21.961 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -3.685 -12.400 22.049 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.283 -13.186 24.262 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -4.916 -11.631 24.012 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.935 -12.986 23.927 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.782 -11.353 15.688 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.783 -10.653 14.865 1.00 25.00 C ATOM 1577 C LYS A 93 -10.190 -11.164 15.156 1.00 25.00 C ATOM 1578 O LYS A 93 -11.170 -10.477 14.920 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.461 -10.780 13.370 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.633 -12.180 12.784 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.109 -12.216 11.351 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.312 -13.584 10.701 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.769 -13.891 10.477 1.00 25.00 N ATOM 0 H LYS A 93 -7.122 -11.925 15.161 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.744 -9.597 15.131 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.100 -10.091 12.817 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.432 -10.460 13.208 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.096 -12.907 13.394 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.685 -12.464 12.802 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.618 -11.455 10.760 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.048 -11.967 11.347 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.784 -13.614 9.748 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.872 -14.355 11.334 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.869 -14.518 9.653 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -10.158 -14.361 11.319 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.287 -13.006 10.303 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.270 -12.366 15.705 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.543 -12.996 16.055 1.00 25.00 C ATOM 1599 C GLU A 94 -12.335 -12.218 17.111 1.00 25.00 C ATOM 1600 O GLU A 94 -13.555 -12.167 17.050 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.276 -14.421 16.560 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.078 -14.529 17.518 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.937 -15.915 18.114 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.991 -16.903 17.353 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.747 -16.011 19.345 1.00 25.00 O ATOM 0 H GLU A 94 -9.454 -12.938 15.923 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.154 -13.008 15.152 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -12.168 -14.789 17.067 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -11.104 -15.073 15.704 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.164 -14.272 16.983 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.192 -13.801 18.321 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.643 -11.589 18.052 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.306 -10.828 19.118 1.00 25.00 C ATOM 1614 C VAL A 95 -12.179 -9.333 18.846 1.00 25.00 C ATOM 1615 O VAL A 95 -12.578 -8.498 19.649 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.728 -11.185 20.524 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.023 -12.656 20.861 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.211 -10.937 20.588 1.00 25.00 C ATOM 0 H VAL A 95 -10.624 -11.587 18.104 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.361 -11.100 19.123 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.212 -10.537 21.255 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.615 -12.893 21.844 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.101 -12.819 20.867 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.563 -13.300 20.112 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.842 -11.196 21.580 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.710 -11.554 19.842 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.005 -9.886 20.387 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.648 -9.006 17.678 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.521 -7.618 17.240 1.00 25.00 C ATOM 1630 C ASN A 96 -12.185 -7.479 15.868 1.00 25.00 C ATOM 1631 O ASN A 96 -11.502 -7.400 14.843 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.042 -7.229 17.148 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.435 -6.946 18.488 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.632 -5.882 19.046 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.674 -7.873 18.998 1.00 25.00 N ATOM 0 H ASN A 96 -11.294 -9.688 17.008 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.007 -6.957 17.957 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.488 -8.034 16.665 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.941 -6.348 16.514 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.218 -7.720 19.897 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.535 -8.751 18.498 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.527 -7.408 15.824 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.155 -7.367 14.496 1.00 25.00 C ATOM 1644 C PRO A 97 -13.854 -6.099 13.698 1.00 25.00 C ATOM 1645 O PRO A 97 -13.911 -6.103 12.472 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.648 -7.488 14.820 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.776 -6.919 16.188 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.542 -7.411 16.897 1.00 25.00 C ATOM 0 HA PRO A 97 -13.773 -8.156 13.849 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.256 -6.938 14.102 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.979 -8.526 14.789 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.818 -5.830 16.166 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.685 -7.263 16.681 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.261 -6.756 17.722 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.686 -8.407 17.315 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.474 -5.029 14.382 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.130 -3.783 13.712 1.00 25.00 C ATOM 1658 C GLN A 98 -11.859 -3.957 12.887 1.00 25.00 C ATOM 1659 O GLN A 98 -11.758 -3.419 11.785 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.956 -2.644 14.730 1.00 25.00 C ATOM 1661 CG GLN A 98 -12.134 -3.007 15.972 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.980 -1.839 16.908 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.413 -0.828 16.550 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -12.463 -1.981 18.113 1.00 25.00 N ATOM 0 H GLN A 98 -13.396 -4.999 15.399 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.948 -3.519 13.042 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.479 -1.800 14.231 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.943 -2.309 15.050 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.616 -3.831 16.497 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.149 -3.358 15.665 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -12.933 -2.847 18.375 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -12.370 -1.226 18.792 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.898 -4.724 13.395 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.666 -4.936 12.645 1.00 25.00 C ATOM 1675 C VAL A 99 -9.846 -6.076 11.657 1.00 25.00 C ATOM 1676 O VAL A 99 -9.255 -6.057 10.603 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.396 -5.130 13.542 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.428 -4.147 14.726 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.242 -6.572 14.036 1.00 25.00 C ATOM 0 H VAL A 99 -10.945 -5.197 14.298 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.473 -4.016 12.094 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.525 -4.917 12.923 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.541 -4.291 15.342 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.446 -3.124 14.349 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.320 -4.329 15.326 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.347 -6.652 14.653 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.115 -6.850 14.626 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.154 -7.242 13.181 1.00 25.00 H new ATOM 1689 N MET A 100 -10.729 -7.021 11.957 1.00 25.00 N ATOM 1690 CA MET A 100 -11.054 -8.101 11.022 1.00 25.00 C ATOM 1691 C MET A 100 -11.640 -7.501 9.744 1.00 25.00 C ATOM 1692 O MET A 100 -11.315 -7.925 8.641 1.00 25.00 O ATOM 1693 CB MET A 100 -12.047 -9.075 11.670 1.00 25.00 C ATOM 1694 CG MET A 100 -12.632 -10.124 10.730 1.00 25.00 C ATOM 1695 SD MET A 100 -11.378 -11.104 9.889 1.00 25.00 S ATOM 1696 CE MET A 100 -12.017 -11.056 8.189 1.00 25.00 C ATOM 0 H MET A 100 -11.236 -7.065 12.841 1.00 25.00 H new ATOM 0 HA MET A 100 -10.149 -8.655 10.771 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.547 -9.586 12.493 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.866 -8.500 12.103 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.282 -10.789 11.298 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.255 -9.628 9.986 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.188 -11.135 7.486 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.704 -11.888 8.035 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.544 -10.116 8.025 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.445 -6.460 9.878 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.985 -5.790 8.705 1.00 25.00 C ATOM 1708 C ALA A 101 -11.859 -5.153 7.871 1.00 25.00 C ATOM 1709 O ALA A 101 -11.963 -5.055 6.656 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.001 -4.725 9.138 1.00 25.00 C ATOM 0 H ALA A 101 -12.736 -6.065 10.772 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.488 -6.529 8.081 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.403 -4.226 8.256 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.813 -5.200 9.688 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.509 -3.992 9.778 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.779 -4.738 8.522 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.644 -4.146 7.824 1.00 25.00 C ATOM 1718 C ALA A 102 -8.803 -5.243 7.161 1.00 25.00 C ATOM 1719 O ALA A 102 -8.263 -5.035 6.088 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.792 -3.330 8.797 1.00 25.00 C ATOM 0 H ALA A 102 -10.665 -4.801 9.534 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.016 -3.477 7.048 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.948 -2.893 8.263 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.397 -2.535 9.232 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.423 -3.980 9.590 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.732 -6.411 7.786 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.035 -7.572 7.214 1.00 25.00 C ATOM 1728 C VAL A 103 -8.696 -7.889 5.880 1.00 25.00 C ATOM 1729 O VAL A 103 -8.029 -7.924 4.853 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.130 -8.814 8.185 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.615 -10.099 7.544 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.349 -8.540 9.482 1.00 25.00 C ATOM 0 H VAL A 103 -9.151 -6.587 8.699 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.977 -7.348 7.075 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.187 -8.957 8.409 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.703 -10.921 8.255 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -8.204 -10.323 6.655 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.569 -9.972 7.264 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.424 -9.405 10.141 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.302 -8.355 9.244 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.768 -7.666 9.981 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.014 -8.051 5.893 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.757 -8.382 4.678 1.00 25.00 C ATOM 1744 C ALA A 104 -10.643 -7.275 3.628 1.00 25.00 C ATOM 1745 O ALA A 104 -10.491 -7.542 2.440 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.228 -8.633 5.026 1.00 25.00 C ATOM 0 H ALA A 104 -10.591 -7.959 6.729 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.323 -9.286 4.250 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.780 -8.879 4.119 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.299 -9.462 5.730 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.653 -7.736 5.477 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.709 -6.026 4.066 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.583 -4.916 3.132 1.00 25.00 C ATOM 1754 C GLN A 105 -9.214 -4.912 2.478 1.00 25.00 C ATOM 1755 O GLN A 105 -9.120 -4.736 1.279 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.801 -3.574 3.826 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.258 -3.171 3.910 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.423 -1.769 4.437 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.097 -0.801 3.768 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -12.916 -1.652 5.638 1.00 25.00 N ATOM 0 H GLN A 105 -10.846 -5.759 5.041 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.352 -5.053 2.372 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.386 -3.622 4.833 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.248 -2.802 3.290 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.712 -3.243 2.922 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.791 -3.867 4.558 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.177 -2.485 6.166 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.041 -0.727 6.050 1.00 25.00 H new ATOM 1769 N THR A 106 -8.155 -5.094 3.254 1.00 25.00 N ATOM 1770 CA THR A 106 -6.802 -5.044 2.703 1.00 25.00 C ATOM 1771 C THR A 106 -6.639 -6.104 1.622 1.00 25.00 C ATOM 1772 O THR A 106 -6.062 -5.835 0.574 1.00 25.00 O ATOM 1773 CB THR A 106 -5.730 -5.270 3.792 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.956 -4.382 4.885 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.338 -4.986 3.269 1.00 25.00 C ATOM 0 H THR A 106 -8.201 -5.276 4.257 1.00 25.00 H new ATOM 0 HA THR A 106 -6.661 -4.049 2.281 1.00 25.00 H new ATOM 0 HB THR A 106 -5.803 -6.313 4.102 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.708 -4.709 5.422 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.610 -5.155 4.062 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.122 -5.648 2.431 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.278 -3.949 2.937 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.186 -7.291 1.856 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.112 -8.372 0.873 1.00 25.00 C ATOM 1785 C GLU A 107 -7.707 -7.956 -0.463 1.00 25.00 C ATOM 1786 O GLU A 107 -7.049 -8.064 -1.489 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.839 -9.621 1.391 1.00 25.00 C ATOM 1788 CG GLU A 107 -7.130 -10.235 2.561 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.798 -11.472 3.122 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.966 -11.407 3.560 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -7.085 -12.494 3.235 1.00 25.00 O ATOM 0 H GLU A 107 -7.684 -7.532 2.713 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.057 -8.601 0.722 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.856 -9.355 1.681 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.918 -10.354 0.588 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -6.114 -10.491 2.260 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -7.050 -9.490 3.353 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.938 -7.467 -0.458 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.621 -7.121 -1.707 1.00 25.00 C ATOM 1800 C GLU A 108 -9.098 -5.839 -2.342 1.00 25.00 C ATOM 1801 O GLU A 108 -9.071 -5.706 -3.570 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.127 -7.029 -1.471 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.741 -8.387 -1.138 1.00 25.00 C ATOM 1804 CD GLU A 108 -11.406 -9.433 -2.201 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -11.769 -9.230 -3.377 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -10.710 -10.421 -1.875 1.00 25.00 O ATOM 0 H GLU A 108 -9.485 -7.300 0.386 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.409 -7.921 -2.416 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -11.324 -6.333 -0.655 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.609 -6.622 -2.360 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.376 -8.724 -0.168 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -12.823 -8.287 -1.054 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.611 -4.920 -1.523 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.988 -3.705 -2.040 1.00 25.00 C ATOM 1815 C ILE A 109 -6.754 -4.128 -2.828 1.00 25.00 C ATOM 1816 O ILE A 109 -6.520 -3.634 -3.932 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.609 -2.715 -0.895 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.886 -2.067 -0.327 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.653 -1.620 -1.406 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.686 -1.379 1.031 1.00 25.00 C ATOM 0 H ILE A 109 -8.633 -4.988 -0.506 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.690 -3.172 -2.681 1.00 25.00 H new ATOM 0 HB ILE A 109 -7.100 -3.275 -0.110 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -9.258 -1.334 -1.043 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.655 -2.833 -0.225 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.405 -0.943 -0.588 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.741 -2.081 -1.785 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -7.136 -1.060 -2.206 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.630 -0.948 1.363 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.344 -2.111 1.763 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.941 -0.589 0.933 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.988 -5.078 -2.305 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.810 -5.544 -3.020 1.00 25.00 C ATOM 1834 C LEU A 110 -5.134 -6.191 -4.361 1.00 25.00 C ATOM 1835 O LEU A 110 -4.405 -5.977 -5.326 1.00 25.00 O ATOM 1836 CB LEU A 110 -4.013 -6.530 -2.163 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.737 -5.958 -1.513 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -1.758 -5.472 -2.583 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -3.027 -4.805 -0.546 1.00 25.00 C ATOM 0 H LEU A 110 -6.157 -5.532 -1.407 1.00 25.00 H new ATOM 0 HA LEU A 110 -4.214 -4.654 -3.224 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.664 -6.909 -1.375 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.734 -7.382 -2.783 1.00 25.00 H new ATOM 0 HG LEU A 110 -2.297 -6.775 -0.941 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -0.864 -5.072 -2.104 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -1.481 -6.306 -3.229 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -2.230 -4.692 -3.180 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -2.091 -4.444 -0.120 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.518 -3.994 -1.084 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -3.678 -5.156 0.254 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.227 -6.942 -4.445 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.615 -7.587 -5.715 1.00 25.00 C ATOM 1853 C LYS A 111 -6.756 -6.541 -6.811 1.00 25.00 C ATOM 1854 O LYS A 111 -6.275 -6.721 -7.924 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.957 -8.333 -5.582 1.00 25.00 C ATOM 1856 CG LYS A 111 -8.042 -9.301 -4.415 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.162 -10.531 -4.552 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.022 -11.218 -3.195 1.00 25.00 C ATOM 1859 NZ LYS A 111 -8.325 -11.680 -2.602 1.00 25.00 N ATOM 0 H LYS A 111 -6.859 -7.124 -3.665 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.832 -8.302 -5.968 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.756 -7.598 -5.483 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.142 -8.883 -6.505 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -7.768 -8.774 -3.501 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -9.077 -9.622 -4.300 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -7.595 -11.221 -5.277 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -6.180 -10.247 -4.930 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -6.359 -12.077 -3.301 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.543 -10.529 -2.499 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -8.147 -12.135 -1.684 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.954 -10.863 -2.467 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.776 -12.362 -3.244 1.00 25.00 H new