USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 761 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 84 HIS : no HD1:sc= -0.665 K(o=-0.66,f=-0.16) USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 CYS SG : rot -70:sc= -2.97! USER MOD Set 2.2: A 69 TYR OH : rot 169:sc= -0.207 USER MOD Single : A 3 LYS NZ :NH3+ 143:sc= 0.454 (180deg=-0.0918) USER MOD Single : A 5 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.97) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.141) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.646 K(o=-0.65,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -149:sc= 1.19 (180deg=-0.0421) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.616 X(o=-0.62,f=-0.45) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.05) USER MOD Single : A 45 GLN : amide:sc=-0.00196 X(o=-0.002,f=-0.076) USER MOD Single : A 47 HIS : no HD1:sc= -0.481 K(o=-0.48,f=-2.4) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.022) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -1.96 X(o=-2,f=-2.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 152:sc= 1.09 (180deg=0.693) USER MOD Single : A 83 SER OG : rot -68:sc= 0.0368 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -11.842 -3.726 9.183 1.00 0.00 N ATOM 21 CA LEU A 2 -12.315 -3.817 7.805 1.00 0.00 C ATOM 22 C LEU A 2 -11.743 -5.048 7.111 1.00 0.00 C ATOM 23 O LEU A 2 -10.936 -5.780 7.685 1.00 0.00 O ATOM 24 CB LEU A 2 -11.934 -2.555 7.028 1.00 0.00 C ATOM 25 CG LEU A 2 -12.336 -1.236 7.696 1.00 0.00 C ATOM 26 CD1 LEU A 2 -11.105 -0.456 8.131 1.00 0.00 C ATOM 27 CD2 LEU A 2 -13.191 -0.400 6.754 1.00 0.00 C ATOM 0 HA LEU A 2 -13.401 -3.908 7.827 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.855 -2.553 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -12.396 -2.601 6.042 1.00 0.00 H new ATOM 0 HG LEU A 2 -12.925 -1.468 8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -11.413 0.477 8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -10.531 -1.050 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -10.488 -0.235 7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.467 0.533 7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -12.626 -0.180 5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -14.093 -0.954 6.493 1.00 0.00 H new ATOM 39 N LYS A 3 -12.167 -5.271 5.871 1.00 0.00 N ATOM 40 CA LYS A 3 -11.699 -6.414 5.096 1.00 0.00 C ATOM 41 C LYS A 3 -10.456 -6.048 4.288 1.00 0.00 C ATOM 42 O LYS A 3 -10.064 -4.884 4.228 1.00 0.00 O ATOM 43 CB LYS A 3 -12.806 -6.907 4.159 1.00 0.00 C ATOM 44 CG LYS A 3 -13.076 -8.399 4.266 1.00 0.00 C ATOM 45 CD LYS A 3 -12.678 -9.134 2.994 1.00 0.00 C ATOM 46 CE LYS A 3 -13.408 -8.585 1.778 1.00 0.00 C ATOM 47 NZ LYS A 3 -14.010 -9.671 0.954 1.00 0.00 N ATOM 0 H LYS A 3 -12.834 -4.675 5.381 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.438 -7.213 5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -13.725 -6.364 4.379 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -12.533 -6.669 3.131 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -12.524 -8.809 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -14.135 -8.564 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.602 -9.046 2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -12.899 -10.196 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.191 -7.900 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -12.713 -8.008 1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.926 -9.353 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.372 -9.903 0.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.153 -10.516 1.544 1.00 0.00 H new ATOM 61 N LEU A 4 -9.842 -7.050 3.669 1.00 0.00 N ATOM 62 CA LEU A 4 -8.645 -6.832 2.866 1.00 0.00 C ATOM 63 C LEU A 4 -8.709 -7.628 1.567 1.00 0.00 C ATOM 64 O LEU A 4 -9.382 -8.656 1.490 1.00 0.00 O ATOM 65 CB LEU A 4 -7.394 -7.224 3.656 1.00 0.00 C ATOM 66 CG LEU A 4 -6.067 -6.851 2.991 1.00 0.00 C ATOM 67 CD1 LEU A 4 -5.088 -6.305 4.020 1.00 0.00 C ATOM 68 CD2 LEU A 4 -5.473 -8.055 2.275 1.00 0.00 C ATOM 0 H LEU A 4 -10.153 -8.021 3.708 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.593 -5.771 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.438 -6.750 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.410 -8.301 3.822 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.259 -6.072 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.150 -6.045 3.528 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.510 -5.416 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.901 -7.062 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.530 -7.772 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.296 -8.855 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.167 -8.402 1.510 1.00 0.00 H new ATOM 80 N ASN A 5 -8.007 -7.145 0.547 1.00 0.00 N ATOM 81 CA ASN A 5 -7.986 -7.813 -0.750 1.00 0.00 C ATOM 82 C ASN A 5 -6.630 -7.645 -1.427 1.00 0.00 C ATOM 83 O ASN A 5 -5.748 -6.957 -0.914 1.00 0.00 O ATOM 84 CB ASN A 5 -9.095 -7.259 -1.648 1.00 0.00 C ATOM 85 CG ASN A 5 -9.932 -8.354 -2.275 1.00 0.00 C ATOM 86 OD1 ASN A 5 -10.182 -9.390 -1.659 1.00 0.00 O ATOM 87 ND2 ASN A 5 -10.373 -8.132 -3.508 1.00 0.00 N ATOM 0 H ASN A 5 -7.446 -6.295 0.593 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.158 -8.877 -0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.739 -6.603 -1.062 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -8.651 -6.649 -2.435 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -10.942 -8.834 -3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.142 -7.259 -3.983 1.00 0.00 H new ATOM 94 N LEU A 6 -6.472 -8.280 -2.586 1.00 0.00 N ATOM 95 CA LEU A 6 -5.224 -8.203 -3.335 1.00 0.00 C ATOM 96 C LEU A 6 -5.495 -8.029 -4.826 1.00 0.00 C ATOM 97 O LEU A 6 -6.298 -8.758 -5.409 1.00 0.00 O ATOM 98 CB LEU A 6 -4.386 -9.461 -3.100 1.00 0.00 C ATOM 99 CG LEU A 6 -4.059 -9.758 -1.634 1.00 0.00 C ATOM 100 CD1 LEU A 6 -4.374 -11.208 -1.297 1.00 0.00 C ATOM 101 CD2 LEU A 6 -2.599 -9.447 -1.339 1.00 0.00 C ATOM 0 H LEU A 6 -7.193 -8.853 -3.025 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.669 -7.334 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.917 -10.316 -3.518 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.451 -9.365 -3.653 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.681 -9.118 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.135 -11.399 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.433 -11.399 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.780 -11.866 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.385 -9.664 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.961 -10.060 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.404 -8.393 -1.538 1.00 0.00 H new ATOM 113 N LYS A 7 -4.820 -7.062 -5.437 1.00 0.00 N ATOM 114 CA LYS A 7 -4.988 -6.794 -6.860 1.00 0.00 C ATOM 115 C LYS A 7 -3.813 -7.345 -7.660 1.00 0.00 C ATOM 116 O LYS A 7 -2.774 -7.693 -7.098 1.00 0.00 O ATOM 117 CB LYS A 7 -5.127 -5.290 -7.106 1.00 0.00 C ATOM 118 CG LYS A 7 -6.537 -4.766 -6.886 1.00 0.00 C ATOM 119 CD LYS A 7 -7.469 -5.180 -8.014 1.00 0.00 C ATOM 120 CE LYS A 7 -7.608 -4.079 -9.054 1.00 0.00 C ATOM 121 NZ LYS A 7 -8.593 -3.044 -8.637 1.00 0.00 N ATOM 0 H LYS A 7 -4.151 -6.451 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.897 -7.294 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.443 -4.757 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.821 -5.067 -8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.922 -5.142 -5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.515 -3.679 -6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -7.088 -6.084 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.450 -5.423 -7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.638 -3.611 -9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.918 -4.514 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.525 -2.224 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.553 -3.440 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.389 -2.744 -7.662 1.00 0.00 H new ATOM 135 N LYS A 8 -3.981 -7.420 -8.976 1.00 0.00 N ATOM 136 CA LYS A 8 -2.934 -7.929 -9.854 1.00 0.00 C ATOM 137 C LYS A 8 -1.667 -7.089 -9.733 1.00 0.00 C ATOM 138 O LYS A 8 -0.556 -7.595 -9.896 1.00 0.00 O ATOM 139 CB LYS A 8 -3.418 -7.937 -11.306 1.00 0.00 C ATOM 140 CG LYS A 8 -4.068 -9.247 -11.724 1.00 0.00 C ATOM 141 CD LYS A 8 -3.223 -9.990 -12.747 1.00 0.00 C ATOM 142 CE LYS A 8 -2.381 -11.075 -12.093 1.00 0.00 C ATOM 143 NZ LYS A 8 -0.958 -10.661 -11.946 1.00 0.00 N ATOM 0 H LYS A 8 -4.833 -7.134 -9.458 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.702 -8.949 -9.549 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.132 -7.126 -11.447 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.572 -7.735 -11.963 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.215 -9.877 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.054 -9.047 -12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.872 -10.436 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.572 -9.285 -13.264 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.793 -11.313 -11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.434 -11.985 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.418 -11.428 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.557 -10.459 -12.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.904 -9.807 -11.355 1.00 0.00 H new ATOM 157 N SER A 9 -1.839 -5.803 -9.445 1.00 0.00 N ATOM 158 CA SER A 9 -0.710 -4.892 -9.301 1.00 0.00 C ATOM 159 C SER A 9 -0.015 -5.096 -7.958 1.00 0.00 C ATOM 160 O SER A 9 1.213 -5.092 -7.877 1.00 0.00 O ATOM 161 CB SER A 9 -1.176 -3.442 -9.434 1.00 0.00 C ATOM 162 OG SER A 9 -1.778 -3.213 -10.695 1.00 0.00 O ATOM 0 H SER A 9 -2.751 -5.368 -9.307 1.00 0.00 H new ATOM 0 HA SER A 9 0.004 -5.109 -10.096 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.887 -3.211 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.327 -2.771 -9.306 1.00 0.00 H new ATOM 0 HG SER A 9 -2.069 -2.279 -10.754 1.00 0.00 H new ATOM 168 N PHE A 10 -0.810 -5.274 -6.909 1.00 0.00 N ATOM 169 CA PHE A 10 -0.271 -5.479 -5.568 1.00 0.00 C ATOM 170 C PHE A 10 0.370 -6.857 -5.445 1.00 0.00 C ATOM 171 O PHE A 10 1.370 -7.027 -4.748 1.00 0.00 O ATOM 172 CB PHE A 10 -1.376 -5.322 -4.521 1.00 0.00 C ATOM 173 CG PHE A 10 -0.857 -5.103 -3.129 1.00 0.00 C ATOM 174 CD1 PHE A 10 -0.500 -6.177 -2.332 1.00 0.00 C ATOM 175 CD2 PHE A 10 -0.723 -3.820 -2.620 1.00 0.00 C ATOM 176 CE1 PHE A 10 -0.023 -5.978 -1.050 1.00 0.00 C ATOM 177 CE2 PHE A 10 -0.245 -3.615 -1.340 1.00 0.00 C ATOM 178 CZ PHE A 10 0.106 -4.696 -0.553 1.00 0.00 C ATOM 0 H PHE A 10 -1.829 -5.281 -6.960 1.00 0.00 H new ATOM 0 HA PHE A 10 0.495 -4.724 -5.392 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.012 -4.482 -4.799 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.003 -6.213 -4.530 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.595 -7.182 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.995 -2.972 -3.231 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.249 -6.825 -0.437 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.146 -2.611 -0.955 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.480 -4.538 0.448 1.00 0.00 H new ATOM 188 N GLN A 11 -0.211 -7.837 -6.129 1.00 0.00 N ATOM 189 CA GLN A 11 0.306 -9.202 -6.097 1.00 0.00 C ATOM 190 C GLN A 11 1.740 -9.250 -6.612 1.00 0.00 C ATOM 191 O GLN A 11 2.583 -9.960 -6.064 1.00 0.00 O ATOM 192 CB GLN A 11 -0.582 -10.125 -6.936 1.00 0.00 C ATOM 193 CG GLN A 11 -1.876 -10.520 -6.242 1.00 0.00 C ATOM 194 CD GLN A 11 -2.746 -11.416 -7.101 1.00 0.00 C ATOM 195 OE1 GLN A 11 -2.639 -12.641 -7.048 1.00 0.00 O ATOM 196 NE2 GLN A 11 -3.615 -10.807 -7.900 1.00 0.00 N ATOM 0 H GLN A 11 -1.039 -7.713 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 11 0.298 -9.545 -5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.821 -9.629 -7.877 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.022 -11.027 -7.184 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.642 -11.033 -5.309 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.433 -9.621 -5.980 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.670 -9.789 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.227 -11.358 -8.502 1.00 0.00 H new ATOM 205 N LYS A 12 2.009 -8.491 -7.671 1.00 0.00 N ATOM 206 CA LYS A 12 3.342 -8.448 -8.261 1.00 0.00 C ATOM 207 C LYS A 12 4.196 -7.352 -7.623 1.00 0.00 C ATOM 208 O LYS A 12 5.416 -7.333 -7.775 1.00 0.00 O ATOM 209 CB LYS A 12 3.246 -8.221 -9.770 1.00 0.00 C ATOM 210 CG LYS A 12 2.642 -6.878 -10.148 1.00 0.00 C ATOM 211 CD LYS A 12 3.255 -6.332 -11.427 1.00 0.00 C ATOM 212 CE LYS A 12 4.402 -5.377 -11.134 1.00 0.00 C ATOM 213 NZ LYS A 12 3.983 -3.954 -11.248 1.00 0.00 N ATOM 0 H LYS A 12 1.322 -7.898 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 12 3.822 -9.408 -8.071 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.243 -8.296 -10.204 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.645 -9.017 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.565 -6.985 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.797 -6.167 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.616 -7.158 -12.040 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.490 -5.816 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.782 -5.564 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.221 -5.571 -11.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.790 -3.379 -11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.210 -3.874 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.656 -3.613 -10.322 1.00 0.00 H new ATOM 227 N ASP A 13 3.547 -6.441 -6.908 1.00 0.00 N ATOM 228 CA ASP A 13 4.246 -5.344 -6.244 1.00 0.00 C ATOM 229 C ASP A 13 4.657 -5.730 -4.826 1.00 0.00 C ATOM 230 O ASP A 13 5.422 -5.020 -4.176 1.00 0.00 O ATOM 231 CB ASP A 13 3.363 -4.096 -6.210 1.00 0.00 C ATOM 232 CG ASP A 13 3.422 -3.310 -7.504 1.00 0.00 C ATOM 233 OD1 ASP A 13 3.627 -3.932 -8.569 1.00 0.00 O ATOM 234 OD2 ASP A 13 3.263 -2.072 -7.455 1.00 0.00 O ATOM 0 H ASP A 13 2.536 -6.439 -6.772 1.00 0.00 H new ATOM 0 HA ASP A 13 5.149 -5.128 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.332 -4.389 -6.013 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.675 -3.456 -5.385 1.00 0.00 H new ATOM 239 N PHE A 14 4.136 -6.858 -4.348 1.00 0.00 N ATOM 240 CA PHE A 14 4.445 -7.335 -3.009 1.00 0.00 C ATOM 241 C PHE A 14 5.658 -8.259 -3.025 1.00 0.00 C ATOM 242 O PHE A 14 6.706 -7.931 -2.476 1.00 0.00 O ATOM 243 CB PHE A 14 3.236 -8.064 -2.416 1.00 0.00 C ATOM 244 CG PHE A 14 3.462 -8.589 -1.026 1.00 0.00 C ATOM 245 CD1 PHE A 14 4.235 -9.718 -0.812 1.00 0.00 C ATOM 246 CD2 PHE A 14 2.897 -7.951 0.067 1.00 0.00 C ATOM 247 CE1 PHE A 14 4.442 -10.202 0.467 1.00 0.00 C ATOM 248 CE2 PHE A 14 3.099 -8.429 1.347 1.00 0.00 C ATOM 249 CZ PHE A 14 3.872 -9.556 1.547 1.00 0.00 C ATOM 0 H PHE A 14 3.497 -7.457 -4.872 1.00 0.00 H new ATOM 0 HA PHE A 14 4.681 -6.472 -2.387 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.385 -7.383 -2.403 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.969 -8.895 -3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 14 4.681 -10.226 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.292 -7.070 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 14 5.048 -11.083 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.653 -7.922 2.190 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.031 -9.932 2.547 1.00 0.00 H new ATOM 259 N ASP A 15 5.498 -9.423 -3.647 1.00 0.00 N ATOM 260 CA ASP A 15 6.572 -10.406 -3.724 1.00 0.00 C ATOM 261 C ASP A 15 7.430 -10.225 -4.974 1.00 0.00 C ATOM 262 O ASP A 15 8.636 -10.477 -4.943 1.00 0.00 O ATOM 263 CB ASP A 15 5.991 -11.821 -3.695 1.00 0.00 C ATOM 264 CG ASP A 15 5.895 -12.377 -2.288 1.00 0.00 C ATOM 265 OD1 ASP A 15 6.955 -12.601 -1.665 1.00 0.00 O ATOM 266 OD2 ASP A 15 4.761 -12.589 -1.810 1.00 0.00 O ATOM 0 H ASP A 15 4.633 -9.708 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 15 7.215 -10.253 -2.858 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.000 -11.813 -4.148 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.614 -12.479 -4.301 1.00 0.00 H new ATOM 271 N LYS A 16 6.814 -9.808 -6.078 1.00 0.00 N ATOM 272 CA LYS A 16 7.551 -9.625 -7.326 1.00 0.00 C ATOM 273 C LYS A 16 8.377 -8.342 -7.305 1.00 0.00 C ATOM 274 O LYS A 16 9.324 -8.196 -8.078 1.00 0.00 O ATOM 275 CB LYS A 16 6.597 -9.624 -8.522 1.00 0.00 C ATOM 276 CG LYS A 16 6.906 -10.706 -9.545 1.00 0.00 C ATOM 277 CD LYS A 16 6.436 -12.072 -9.071 1.00 0.00 C ATOM 278 CE LYS A 16 7.459 -12.726 -8.158 1.00 0.00 C ATOM 279 NZ LYS A 16 7.295 -14.206 -8.111 1.00 0.00 N ATOM 0 H LYS A 16 5.819 -9.593 -6.135 1.00 0.00 H new ATOM 0 HA LYS A 16 8.239 -10.464 -7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.576 -9.756 -8.163 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.640 -8.650 -9.010 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.423 -10.462 -10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.979 -10.734 -9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.488 -11.969 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.252 -12.714 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.463 -12.483 -8.505 1.00 0.00 H new ATOM 0 HE3 LYS A 16 7.362 -12.318 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.011 -14.615 -7.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.346 -14.439 -7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.413 -14.599 -9.067 1.00 0.00 H new ATOM 293 N LEU A 17 8.027 -7.420 -6.414 1.00 0.00 N ATOM 294 CA LEU A 17 8.752 -6.167 -6.301 1.00 0.00 C ATOM 295 C LEU A 17 9.996 -6.363 -5.447 1.00 0.00 C ATOM 296 O LEU A 17 11.030 -5.739 -5.684 1.00 0.00 O ATOM 297 CB LEU A 17 7.858 -5.092 -5.682 1.00 0.00 C ATOM 298 CG LEU A 17 8.576 -3.805 -5.283 1.00 0.00 C ATOM 299 CD1 LEU A 17 9.229 -3.159 -6.495 1.00 0.00 C ATOM 300 CD2 LEU A 17 7.608 -2.840 -4.616 1.00 0.00 C ATOM 0 H LEU A 17 7.248 -7.520 -5.763 1.00 0.00 H new ATOM 0 HA LEU A 17 9.051 -5.843 -7.298 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.069 -4.845 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.373 -5.508 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 17 9.359 -4.055 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.736 -2.243 -6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.954 -3.848 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.466 -2.922 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.137 -1.928 -4.338 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.803 -2.596 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.190 -3.304 -3.722 1.00 0.00 H new ATOM 312 N LEU A 18 9.884 -7.237 -4.450 1.00 0.00 N ATOM 313 CA LEU A 18 11.000 -7.521 -3.551 1.00 0.00 C ATOM 314 C LEU A 18 12.264 -7.854 -4.340 1.00 0.00 C ATOM 315 O LEU A 18 13.336 -7.309 -4.073 1.00 0.00 O ATOM 316 CB LEU A 18 10.656 -8.685 -2.616 1.00 0.00 C ATOM 317 CG LEU A 18 9.813 -8.338 -1.377 1.00 0.00 C ATOM 318 CD1 LEU A 18 9.049 -7.033 -1.567 1.00 0.00 C ATOM 319 CD2 LEU A 18 8.855 -9.476 -1.052 1.00 0.00 C ATOM 0 H LEU A 18 9.033 -7.760 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 18 11.183 -6.627 -2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.122 -9.440 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.587 -9.140 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 18 10.495 -8.201 -0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.465 -6.820 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.754 -6.221 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.381 -7.124 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.266 -9.216 -0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.189 -9.644 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.423 -10.384 -0.852 1.00 0.00 H new ATOM 331 N LEU A 19 12.130 -8.751 -5.312 1.00 0.00 N ATOM 332 CA LEU A 19 13.261 -9.159 -6.141 1.00 0.00 C ATOM 333 C LEU A 19 13.393 -8.275 -7.382 1.00 0.00 C ATOM 334 O LEU A 19 14.132 -8.604 -8.308 1.00 0.00 O ATOM 335 CB LEU A 19 13.110 -10.622 -6.559 1.00 0.00 C ATOM 336 CG LEU A 19 13.114 -11.629 -5.408 1.00 0.00 C ATOM 337 CD1 LEU A 19 12.490 -12.944 -5.848 1.00 0.00 C ATOM 338 CD2 LEU A 19 14.530 -11.851 -4.901 1.00 0.00 C ATOM 0 H LEU A 19 11.249 -9.210 -5.546 1.00 0.00 H new ATOM 0 HA LEU A 19 14.167 -9.045 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 19 12.178 -10.731 -7.113 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.920 -10.873 -7.244 1.00 0.00 H new ATOM 0 HG LEU A 19 12.517 -11.223 -4.592 1.00 0.00 H new ATOM 0 HD11 LEU A 19 12.501 -13.648 -5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.461 -12.771 -6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.060 -13.356 -6.681 1.00 0.00 H new ATOM 0 HD21 LEU A 19 14.515 -12.570 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 19 15.150 -12.236 -5.711 1.00 0.00 H new ATOM 0 HD23 LEU A 19 14.942 -10.906 -4.546 1.00 0.00 H new ATOM 350 N ASN A 20 12.677 -7.152 -7.397 1.00 0.00 N ATOM 351 CA ASN A 20 12.726 -6.232 -8.527 1.00 0.00 C ATOM 352 C ASN A 20 13.418 -4.931 -8.138 1.00 0.00 C ATOM 353 O ASN A 20 13.091 -3.862 -8.655 1.00 0.00 O ATOM 354 CB ASN A 20 11.313 -5.938 -9.035 1.00 0.00 C ATOM 355 CG ASN A 20 11.317 -5.234 -10.377 1.00 0.00 C ATOM 356 OD1 ASN A 20 10.702 -4.179 -10.540 1.00 0.00 O ATOM 357 ND2 ASN A 20 12.009 -5.816 -11.350 1.00 0.00 N ATOM 0 H ASN A 20 12.058 -6.860 -6.641 1.00 0.00 H new ATOM 0 HA ASN A 20 13.300 -6.705 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.758 -6.873 -9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 20 10.788 -5.321 -8.305 1.00 0.00 H new ATOM 0 HD21 ASN A 20 12.045 -5.389 -12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 20 12.504 -6.690 -11.172 1.00 0.00 H new ATOM 364 N GLY A 21 14.374 -5.030 -7.220 1.00 0.00 N ATOM 365 CA GLY A 21 15.098 -3.855 -6.772 1.00 0.00 C ATOM 366 C GLY A 21 14.507 -3.256 -5.510 1.00 0.00 C ATOM 367 O GLY A 21 14.701 -2.074 -5.226 1.00 0.00 O ATOM 0 H GLY A 21 14.660 -5.904 -6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 21 16.140 -4.121 -6.591 1.00 0.00 H new ATOM 0 HA3 GLY A 21 15.093 -3.105 -7.563 1.00 0.00 H new ATOM 371 N PHE A 22 13.783 -4.075 -4.752 1.00 0.00 N ATOM 372 CA PHE A 22 13.161 -3.622 -3.514 1.00 0.00 C ATOM 373 C PHE A 22 13.729 -4.374 -2.314 1.00 0.00 C ATOM 374 O PHE A 22 14.034 -5.563 -2.402 1.00 0.00 O ATOM 375 CB PHE A 22 11.645 -3.816 -3.582 1.00 0.00 C ATOM 376 CG PHE A 22 10.928 -3.359 -2.344 1.00 0.00 C ATOM 377 CD1 PHE A 22 10.901 -4.159 -1.215 1.00 0.00 C ATOM 378 CD2 PHE A 22 10.288 -2.131 -2.311 1.00 0.00 C ATOM 379 CE1 PHE A 22 10.244 -3.743 -0.071 1.00 0.00 C ATOM 380 CE2 PHE A 22 9.629 -1.711 -1.172 1.00 0.00 C ATOM 381 CZ PHE A 22 9.608 -2.517 -0.050 1.00 0.00 C ATOM 0 H PHE A 22 13.613 -5.056 -4.975 1.00 0.00 H new ATOM 0 HA PHE A 22 13.380 -2.561 -3.392 1.00 0.00 H new ATOM 0 HB2 PHE A 22 11.255 -3.270 -4.441 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.429 -4.871 -3.749 1.00 0.00 H new ATOM 0 HD1 PHE A 22 11.398 -5.118 -1.227 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.304 -1.496 -3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.228 -4.376 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.130 -0.753 -1.158 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.095 -2.189 0.842 1.00 0.00 H new ATOM 391 N ASP A 23 13.869 -3.671 -1.194 1.00 0.00 N ATOM 392 CA ASP A 23 14.398 -4.274 0.026 1.00 0.00 C ATOM 393 C ASP A 23 13.269 -4.820 0.896 1.00 0.00 C ATOM 394 O ASP A 23 12.484 -4.058 1.459 1.00 0.00 O ATOM 395 CB ASP A 23 15.216 -3.248 0.812 1.00 0.00 C ATOM 396 CG ASP A 23 16.286 -3.894 1.668 1.00 0.00 C ATOM 397 OD1 ASP A 23 15.939 -4.471 2.720 1.00 0.00 O ATOM 398 OD2 ASP A 23 17.474 -3.826 1.285 1.00 0.00 O ATOM 0 H ASP A 23 13.624 -2.685 -1.105 1.00 0.00 H new ATOM 0 HA ASP A 23 15.046 -5.103 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 23 15.683 -2.551 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.549 -2.666 1.448 1.00 0.00 H new ATOM 403 N ASP A 24 13.199 -6.143 1.001 1.00 0.00 N ATOM 404 CA ASP A 24 12.167 -6.795 1.802 1.00 0.00 C ATOM 405 C ASP A 24 12.153 -6.255 3.230 1.00 0.00 C ATOM 406 O ASP A 24 11.120 -6.271 3.899 1.00 0.00 O ATOM 407 CB ASP A 24 12.387 -8.308 1.820 1.00 0.00 C ATOM 408 CG ASP A 24 13.716 -8.693 2.441 1.00 0.00 C ATOM 409 OD1 ASP A 24 14.610 -7.823 2.515 1.00 0.00 O ATOM 410 OD2 ASP A 24 13.863 -9.863 2.852 1.00 0.00 O ATOM 0 H ASP A 24 13.844 -6.786 0.542 1.00 0.00 H new ATOM 0 HA ASP A 24 11.202 -6.578 1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 24 11.579 -8.783 2.376 1.00 0.00 H new ATOM 0 HB3 ASP A 24 12.341 -8.691 0.801 1.00 0.00 H new ATOM 415 N SER A 25 13.304 -5.779 3.692 1.00 0.00 N ATOM 416 CA SER A 25 13.417 -5.234 5.041 1.00 0.00 C ATOM 417 C SER A 25 12.493 -4.034 5.232 1.00 0.00 C ATOM 418 O SER A 25 12.179 -3.657 6.362 1.00 0.00 O ATOM 419 CB SER A 25 14.864 -4.830 5.327 1.00 0.00 C ATOM 420 OG SER A 25 15.140 -4.872 6.717 1.00 0.00 O ATOM 0 H SER A 25 14.170 -5.759 3.154 1.00 0.00 H new ATOM 0 HA SER A 25 13.115 -6.011 5.744 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.543 -5.499 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.046 -3.825 4.947 1.00 0.00 H new ATOM 0 HG SER A 25 16.072 -4.611 6.874 1.00 0.00 H new ATOM 426 N VAL A 26 12.063 -3.431 4.127 1.00 0.00 N ATOM 427 CA VAL A 26 11.181 -2.271 4.183 1.00 0.00 C ATOM 428 C VAL A 26 9.713 -2.686 4.212 1.00 0.00 C ATOM 429 O VAL A 26 8.908 -2.099 4.936 1.00 0.00 O ATOM 430 CB VAL A 26 11.413 -1.333 2.984 1.00 0.00 C ATOM 431 CG1 VAL A 26 10.629 -0.041 3.156 1.00 0.00 C ATOM 432 CG2 VAL A 26 12.896 -1.046 2.809 1.00 0.00 C ATOM 0 H VAL A 26 12.311 -3.727 3.183 1.00 0.00 H new ATOM 0 HA VAL A 26 11.420 -1.741 5.105 1.00 0.00 H new ATOM 0 HB VAL A 26 11.054 -1.831 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 10.806 0.609 2.299 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.565 -0.268 3.226 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.953 0.463 4.066 1.00 0.00 H new ATOM 0 HG21 VAL A 26 13.040 -0.382 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.283 -0.570 3.710 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.429 -1.980 2.635 1.00 0.00 H new ATOM 442 N LEU A 27 9.367 -3.694 3.417 1.00 0.00 N ATOM 443 CA LEU A 27 7.990 -4.177 3.353 1.00 0.00 C ATOM 444 C LEU A 27 7.496 -4.615 4.730 1.00 0.00 C ATOM 445 O LEU A 27 6.330 -4.422 5.072 1.00 0.00 O ATOM 446 CB LEU A 27 7.878 -5.335 2.353 1.00 0.00 C ATOM 447 CG LEU A 27 8.247 -6.717 2.900 1.00 0.00 C ATOM 448 CD1 LEU A 27 7.014 -7.418 3.450 1.00 0.00 C ATOM 449 CD2 LEU A 27 8.903 -7.560 1.818 1.00 0.00 C ATOM 0 H LEU A 27 10.018 -4.191 2.810 1.00 0.00 H new ATOM 0 HA LEU A 27 7.359 -3.356 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.854 -5.373 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 27 8.520 -5.118 1.499 1.00 0.00 H new ATOM 0 HG LEU A 27 8.960 -6.587 3.714 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.294 -8.399 3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.585 -6.821 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.278 -7.537 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.159 -8.539 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.213 -7.683 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.809 -7.064 1.469 1.00 0.00 H new ATOM 461 N ASN A 28 8.390 -5.206 5.514 1.00 0.00 N ATOM 462 CA ASN A 28 8.043 -5.673 6.853 1.00 0.00 C ATOM 463 C ASN A 28 7.629 -4.509 7.748 1.00 0.00 C ATOM 464 O ASN A 28 6.846 -4.681 8.683 1.00 0.00 O ATOM 465 CB ASN A 28 9.225 -6.417 7.477 1.00 0.00 C ATOM 466 CG ASN A 28 8.785 -7.611 8.302 1.00 0.00 C ATOM 467 OD1 ASN A 28 7.803 -7.542 9.040 1.00 0.00 O ATOM 468 ND2 ASN A 28 9.512 -8.714 8.177 1.00 0.00 N ATOM 0 H ASN A 28 9.360 -5.374 5.247 1.00 0.00 H new ATOM 0 HA ASN A 28 7.198 -6.355 6.764 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.898 -6.752 6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.791 -5.731 8.108 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.264 -9.551 8.705 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.319 -8.725 7.553 1.00 0.00 H new ATOM 475 N GLU A 29 8.160 -3.325 7.457 1.00 0.00 N ATOM 476 CA GLU A 29 7.846 -2.136 8.239 1.00 0.00 C ATOM 477 C GLU A 29 6.448 -1.616 7.915 1.00 0.00 C ATOM 478 O GLU A 29 5.753 -1.092 8.785 1.00 0.00 O ATOM 479 CB GLU A 29 8.880 -1.040 7.976 1.00 0.00 C ATOM 480 CG GLU A 29 10.283 -1.406 8.434 1.00 0.00 C ATOM 481 CD GLU A 29 11.003 -0.244 9.091 1.00 0.00 C ATOM 482 OE1 GLU A 29 10.347 0.522 9.828 1.00 0.00 O ATOM 483 OE2 GLU A 29 12.224 -0.099 8.867 1.00 0.00 O ATOM 0 H GLU A 29 8.809 -3.165 6.686 1.00 0.00 H new ATOM 0 HA GLU A 29 7.874 -2.412 9.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.901 -0.820 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.567 -0.127 8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.227 -2.238 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.863 -1.751 7.578 1.00 0.00 H new ATOM 490 N VAL A 30 6.041 -1.761 6.658 1.00 0.00 N ATOM 491 CA VAL A 30 4.727 -1.302 6.224 1.00 0.00 C ATOM 492 C VAL A 30 3.674 -2.396 6.384 1.00 0.00 C ATOM 493 O VAL A 30 2.592 -2.152 6.916 1.00 0.00 O ATOM 494 CB VAL A 30 4.752 -0.821 4.757 1.00 0.00 C ATOM 495 CG1 VAL A 30 5.148 -1.951 3.822 1.00 0.00 C ATOM 496 CG2 VAL A 30 3.403 -0.241 4.361 1.00 0.00 C ATOM 0 H VAL A 30 6.602 -2.192 5.923 1.00 0.00 H new ATOM 0 HA VAL A 30 4.461 -0.461 6.864 1.00 0.00 H new ATOM 0 HB VAL A 30 5.502 -0.035 4.670 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.158 -1.587 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.141 -2.313 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.429 -2.766 3.911 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.441 0.092 3.324 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.633 -1.005 4.469 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.167 0.606 5.006 1.00 0.00 H new ATOM 506 N ILE A 31 3.997 -3.603 5.927 1.00 0.00 N ATOM 507 CA ILE A 31 3.074 -4.730 6.031 1.00 0.00 C ATOM 508 C ILE A 31 2.693 -4.984 7.490 1.00 0.00 C ATOM 509 O ILE A 31 1.635 -5.542 7.778 1.00 0.00 O ATOM 510 CB ILE A 31 3.686 -6.013 5.409 1.00 0.00 C ATOM 511 CG1 ILE A 31 3.308 -6.118 3.931 1.00 0.00 C ATOM 512 CG2 ILE A 31 3.238 -7.264 6.156 1.00 0.00 C ATOM 513 CD1 ILE A 31 3.746 -4.932 3.103 1.00 0.00 C ATOM 0 H ILE A 31 4.888 -3.826 5.483 1.00 0.00 H new ATOM 0 HA ILE A 31 2.174 -4.474 5.473 1.00 0.00 H new ATOM 0 HB ILE A 31 4.770 -5.941 5.497 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.752 -7.023 3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.227 -6.227 3.849 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.685 -8.144 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.556 -7.200 7.197 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.152 -7.344 6.113 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.442 -5.080 2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.282 -4.026 3.492 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.830 -4.834 3.153 1.00 0.00 H new ATOM 525 N LEU A 32 3.566 -4.576 8.404 1.00 0.00 N ATOM 526 CA LEU A 32 3.327 -4.763 9.830 1.00 0.00 C ATOM 527 C LEU A 32 2.207 -3.850 10.329 1.00 0.00 C ATOM 528 O LEU A 32 1.259 -4.308 10.967 1.00 0.00 O ATOM 529 CB LEU A 32 4.624 -4.500 10.611 1.00 0.00 C ATOM 530 CG LEU A 32 4.445 -3.977 12.041 1.00 0.00 C ATOM 531 CD1 LEU A 32 5.599 -4.430 12.922 1.00 0.00 C ATOM 532 CD2 LEU A 32 4.333 -2.458 12.040 1.00 0.00 C ATOM 0 H LEU A 32 4.447 -4.113 8.182 1.00 0.00 H new ATOM 0 HA LEU A 32 3.011 -5.793 9.995 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.196 -5.427 10.652 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.223 -3.780 10.053 1.00 0.00 H new ATOM 0 HG LEU A 32 3.522 -4.389 12.449 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.456 -4.050 13.933 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.633 -5.519 12.945 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.536 -4.046 12.520 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.206 -2.102 13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.239 -2.027 11.615 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.473 -2.157 11.442 1.00 0.00 H new ATOM 544 N THR A 33 2.329 -2.557 10.048 1.00 0.00 N ATOM 545 CA THR A 33 1.335 -1.579 10.480 1.00 0.00 C ATOM 546 C THR A 33 -0.009 -1.787 9.785 1.00 0.00 C ATOM 547 O THR A 33 -1.049 -1.375 10.299 1.00 0.00 O ATOM 548 CB THR A 33 1.841 -0.159 10.214 1.00 0.00 C ATOM 549 OG1 THR A 33 3.076 0.064 10.871 1.00 0.00 O ATOM 550 CG2 THR A 33 0.879 0.917 10.667 1.00 0.00 C ATOM 0 H THR A 33 3.108 -2.161 9.522 1.00 0.00 H new ATOM 0 HA THR A 33 1.183 -1.720 11.550 1.00 0.00 H new ATOM 0 HB THR A 33 1.950 -0.091 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.384 0.976 10.688 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.301 1.898 10.448 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.068 0.804 10.140 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.710 0.826 11.740 1.00 0.00 H new ATOM 558 N LEU A 34 0.015 -2.414 8.615 1.00 0.00 N ATOM 559 CA LEU A 34 -1.208 -2.655 7.857 1.00 0.00 C ATOM 560 C LEU A 34 -1.845 -3.990 8.229 1.00 0.00 C ATOM 561 O LEU A 34 -3.067 -4.131 8.210 1.00 0.00 O ATOM 562 CB LEU A 34 -0.914 -2.619 6.356 1.00 0.00 C ATOM 563 CG LEU A 34 -0.299 -1.315 5.848 1.00 0.00 C ATOM 564 CD1 LEU A 34 -0.110 -1.366 4.339 1.00 0.00 C ATOM 565 CD2 LEU A 34 -1.169 -0.130 6.238 1.00 0.00 C ATOM 0 H LEU A 34 0.864 -2.764 8.171 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.914 -1.864 8.108 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.239 -3.440 6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.843 -2.800 5.815 1.00 0.00 H new ATOM 0 HG LEU A 34 0.680 -1.191 6.312 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.329 -0.429 3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.553 -2.193 4.083 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.076 -1.513 3.856 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.717 0.790 5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.161 -0.248 5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.254 -0.082 7.324 1.00 0.00 H new ATOM 577 N ARG A 35 -1.012 -4.974 8.552 1.00 0.00 N ATOM 578 CA ARG A 35 -1.502 -6.300 8.911 1.00 0.00 C ATOM 579 C ARG A 35 -1.555 -6.504 10.424 1.00 0.00 C ATOM 580 O ARG A 35 -1.584 -7.639 10.899 1.00 0.00 O ATOM 581 CB ARG A 35 -0.621 -7.371 8.270 1.00 0.00 C ATOM 582 CG ARG A 35 -0.560 -7.274 6.756 1.00 0.00 C ATOM 583 CD ARG A 35 -0.477 -8.648 6.110 1.00 0.00 C ATOM 584 NE ARG A 35 -0.170 -8.563 4.685 1.00 0.00 N ATOM 585 CZ ARG A 35 -0.365 -9.558 3.824 1.00 0.00 C ATOM 586 NH1 ARG A 35 -0.867 -10.715 4.238 1.00 0.00 N ATOM 587 NH2 ARG A 35 -0.059 -9.396 2.543 1.00 0.00 N ATOM 0 H ARG A 35 0.003 -4.879 8.573 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.521 -6.387 8.534 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.389 -7.290 8.673 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.997 -8.355 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.443 -6.751 6.388 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.306 -6.681 6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.289 -9.239 6.612 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.423 -9.171 6.247 1.00 0.00 H new ATOM 0 HE ARG A 35 0.217 -7.689 4.329 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.106 -10.845 5.221 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.014 -11.474 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.326 -8.509 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.208 -10.159 1.883 1.00 0.00 H new ATOM 601 N LYS A 36 -1.572 -5.410 11.180 1.00 0.00 N ATOM 602 CA LYS A 36 -1.628 -5.502 12.637 1.00 0.00 C ATOM 603 C LYS A 36 -2.993 -5.067 13.161 1.00 0.00 C ATOM 604 O LYS A 36 -3.662 -5.824 13.863 1.00 0.00 O ATOM 605 CB LYS A 36 -0.529 -4.643 13.269 1.00 0.00 C ATOM 606 CG LYS A 36 0.691 -5.440 13.699 1.00 0.00 C ATOM 607 CD LYS A 36 1.291 -4.893 14.984 1.00 0.00 C ATOM 608 CE LYS A 36 2.524 -4.046 14.709 1.00 0.00 C ATOM 609 NZ LYS A 36 2.903 -3.215 15.884 1.00 0.00 N ATOM 0 H LYS A 36 -1.548 -4.458 10.814 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.469 -6.544 12.913 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.221 -3.879 12.556 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.938 -4.124 14.136 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.413 -6.484 13.842 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.440 -5.416 12.908 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.546 -4.294 15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.556 -5.720 15.643 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.357 -4.695 14.440 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.335 -3.398 13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.748 -2.654 15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.118 -2.577 16.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.108 -3.833 16.695 1.00 0.00 H new ATOM 623 N LYS A 37 -3.396 -3.843 12.803 1.00 0.00 N ATOM 624 CA LYS A 37 -4.687 -3.270 13.213 1.00 0.00 C ATOM 625 C LYS A 37 -4.599 -1.748 13.309 1.00 0.00 C ATOM 626 O LYS A 37 -5.618 -1.057 13.271 1.00 0.00 O ATOM 627 CB LYS A 37 -5.160 -3.824 14.564 1.00 0.00 C ATOM 628 CG LYS A 37 -4.144 -3.662 15.685 1.00 0.00 C ATOM 629 CD LYS A 37 -4.540 -4.462 16.916 1.00 0.00 C ATOM 630 CE LYS A 37 -5.419 -3.648 17.852 1.00 0.00 C ATOM 631 NZ LYS A 37 -4.747 -3.382 19.153 1.00 0.00 N ATOM 0 H LYS A 37 -2.837 -3.220 12.220 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.410 -3.553 12.448 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.084 -3.321 14.849 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.395 -4.882 14.450 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.163 -3.987 15.338 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.056 -2.608 15.948 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.070 -5.364 16.610 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.643 -4.784 17.446 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.677 -2.702 17.376 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.353 -4.181 18.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.379 -2.825 19.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.523 -4.284 19.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.868 -2.851 18.988 1.00 0.00 H new ATOM 645 N GLU A 38 -3.382 -1.229 13.438 1.00 0.00 N ATOM 646 CA GLU A 38 -3.171 0.210 13.546 1.00 0.00 C ATOM 647 C GLU A 38 -3.617 0.926 12.271 1.00 0.00 C ATOM 648 O GLU A 38 -3.181 0.578 11.173 1.00 0.00 O ATOM 649 CB GLU A 38 -1.698 0.511 13.825 1.00 0.00 C ATOM 650 CG GLU A 38 -1.483 1.712 14.729 1.00 0.00 C ATOM 651 CD GLU A 38 -1.358 1.326 16.192 1.00 0.00 C ATOM 652 OE1 GLU A 38 -1.981 0.323 16.595 1.00 0.00 O ATOM 653 OE2 GLU A 38 -0.638 2.028 16.931 1.00 0.00 O ATOM 0 H GLU A 38 -2.527 -1.784 13.470 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.774 0.578 14.376 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.237 -0.365 14.283 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.185 0.683 12.879 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.581 2.240 14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.315 2.406 14.610 1.00 0.00 H new ATOM 660 N PRO A 39 -4.493 1.941 12.398 1.00 0.00 N ATOM 661 CA PRO A 39 -4.988 2.700 11.248 1.00 0.00 C ATOM 662 C PRO A 39 -3.946 3.672 10.705 1.00 0.00 C ATOM 663 O PRO A 39 -2.911 3.900 11.331 1.00 0.00 O ATOM 664 CB PRO A 39 -6.183 3.462 11.820 1.00 0.00 C ATOM 665 CG PRO A 39 -5.853 3.645 13.260 1.00 0.00 C ATOM 666 CD PRO A 39 -5.068 2.427 13.669 1.00 0.00 C ATOM 0 HA PRO A 39 -5.239 2.054 10.407 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -6.319 4.420 11.319 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.109 2.901 11.693 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -5.270 4.553 13.413 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.759 3.743 13.858 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -4.291 2.675 14.392 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -5.707 1.676 14.133 1.00 0.00 H new ATOM 674 N LEU A 40 -4.225 4.242 9.537 1.00 0.00 N ATOM 675 CA LEU A 40 -3.310 5.188 8.912 1.00 0.00 C ATOM 676 C LEU A 40 -3.705 6.624 9.244 1.00 0.00 C ATOM 677 O LEU A 40 -4.845 7.032 9.026 1.00 0.00 O ATOM 678 CB LEU A 40 -3.291 4.987 7.395 1.00 0.00 C ATOM 679 CG LEU A 40 -3.005 3.557 6.936 1.00 0.00 C ATOM 680 CD1 LEU A 40 -3.741 3.254 5.641 1.00 0.00 C ATOM 681 CD2 LEU A 40 -1.508 3.343 6.765 1.00 0.00 C ATOM 0 H LEU A 40 -5.077 4.065 9.005 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.310 5.005 9.306 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.255 5.296 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.538 5.648 6.965 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.365 2.870 7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.525 2.232 5.330 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.814 3.367 5.797 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.413 3.946 4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.322 2.320 6.438 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.124 4.038 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.005 3.517 7.716 1.00 0.00 H new ATOM 693 N ASP A 41 -2.753 7.386 9.774 1.00 0.00 N ATOM 694 CA ASP A 41 -3.001 8.776 10.139 1.00 0.00 C ATOM 695 C ASP A 41 -3.128 9.655 8.897 1.00 0.00 C ATOM 696 O ASP A 41 -2.707 9.265 7.806 1.00 0.00 O ATOM 697 CB ASP A 41 -1.873 9.298 11.032 1.00 0.00 C ATOM 698 CG ASP A 41 -2.126 9.023 12.502 1.00 0.00 C ATOM 699 OD1 ASP A 41 -3.225 9.359 12.990 1.00 0.00 O ATOM 700 OD2 ASP A 41 -1.223 8.469 13.166 1.00 0.00 O ATOM 0 H ASP A 41 -1.803 7.064 9.960 1.00 0.00 H new ATOM 0 HA ASP A 41 -3.942 8.818 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.933 8.833 10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.760 10.371 10.880 1.00 0.00 H new ATOM 705 N PRO A 42 -3.710 10.857 9.046 1.00 0.00 N ATOM 706 CA PRO A 42 -3.890 11.792 7.930 1.00 0.00 C ATOM 707 C PRO A 42 -2.565 12.365 7.435 1.00 0.00 C ATOM 708 O PRO A 42 -2.434 12.732 6.267 1.00 0.00 O ATOM 709 CB PRO A 42 -4.762 12.899 8.527 1.00 0.00 C ATOM 710 CG PRO A 42 -4.493 12.846 9.990 1.00 0.00 C ATOM 711 CD PRO A 42 -4.239 11.399 10.311 1.00 0.00 C ATOM 0 HA PRO A 42 -4.333 11.307 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -4.504 13.873 8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.817 12.731 8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.632 13.461 10.251 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -5.342 13.229 10.557 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.524 11.288 11.126 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -5.152 10.889 10.616 1.00 0.00 H new ATOM 719 N GLN A 43 -1.586 12.437 8.331 1.00 0.00 N ATOM 720 CA GLN A 43 -0.269 12.963 7.986 1.00 0.00 C ATOM 721 C GLN A 43 0.431 12.077 6.959 1.00 0.00 C ATOM 722 O GLN A 43 1.409 12.491 6.335 1.00 0.00 O ATOM 723 CB GLN A 43 0.594 13.087 9.242 1.00 0.00 C ATOM 724 CG GLN A 43 0.019 14.032 10.285 1.00 0.00 C ATOM 725 CD GLN A 43 -0.123 15.451 9.769 1.00 0.00 C ATOM 726 OE1 GLN A 43 -1.179 16.070 9.903 1.00 0.00 O ATOM 727 NE2 GLN A 43 0.942 15.976 9.174 1.00 0.00 N ATOM 0 H GLN A 43 -1.679 12.138 9.302 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.408 13.950 7.544 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.717 12.100 9.687 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.587 13.434 8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.957 13.666 10.604 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.662 14.032 11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.798 15.428 9.084 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.904 16.927 8.807 1.00 0.00 H new ATOM 736 N PHE A 44 -0.072 10.856 6.784 1.00 0.00 N ATOM 737 CA PHE A 44 0.511 9.918 5.830 1.00 0.00 C ATOM 738 C PHE A 44 0.075 10.230 4.397 1.00 0.00 C ATOM 739 O PHE A 44 0.474 9.540 3.459 1.00 0.00 O ATOM 740 CB PHE A 44 0.115 8.486 6.192 1.00 0.00 C ATOM 741 CG PHE A 44 0.827 7.955 7.403 1.00 0.00 C ATOM 742 CD1 PHE A 44 0.559 8.469 8.662 1.00 0.00 C ATOM 743 CD2 PHE A 44 1.763 6.942 7.283 1.00 0.00 C ATOM 744 CE1 PHE A 44 1.213 7.981 9.777 1.00 0.00 C ATOM 745 CE2 PHE A 44 2.420 6.450 8.394 1.00 0.00 C ATOM 746 CZ PHE A 44 2.144 6.970 9.643 1.00 0.00 C ATOM 0 H PHE A 44 -0.881 10.495 7.290 1.00 0.00 H new ATOM 0 HA PHE A 44 1.595 10.021 5.883 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.960 8.448 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.323 7.834 5.343 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.169 9.259 8.773 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.982 6.531 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.996 8.390 10.753 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.148 5.660 8.286 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.655 6.587 10.514 1.00 0.00 H new ATOM 756 N GLN A 45 -0.744 11.268 4.231 1.00 0.00 N ATOM 757 CA GLN A 45 -1.226 11.659 2.910 1.00 0.00 C ATOM 758 C GLN A 45 -2.168 10.602 2.341 1.00 0.00 C ATOM 759 O GLN A 45 -2.027 10.180 1.193 1.00 0.00 O ATOM 760 CB GLN A 45 -0.050 11.882 1.954 1.00 0.00 C ATOM 761 CG GLN A 45 1.045 12.762 2.534 1.00 0.00 C ATOM 762 CD GLN A 45 0.981 14.187 2.019 1.00 0.00 C ATOM 763 OE1 GLN A 45 1.031 14.426 0.813 1.00 0.00 O ATOM 764 NE2 GLN A 45 0.872 15.142 2.935 1.00 0.00 N ATOM 0 H GLN A 45 -1.086 11.851 4.994 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.777 12.594 3.015 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.376 10.916 1.684 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.421 12.335 1.035 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.964 12.768 3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.017 12.334 2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.834 14.898 3.925 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.826 16.120 2.649 1.00 0.00 H new ATOM 773 N ASP A 46 -3.131 10.180 3.154 1.00 0.00 N ATOM 774 CA ASP A 46 -4.099 9.175 2.734 1.00 0.00 C ATOM 775 C ASP A 46 -5.307 9.831 2.070 1.00 0.00 C ATOM 776 O ASP A 46 -6.292 10.156 2.733 1.00 0.00 O ATOM 777 CB ASP A 46 -4.550 8.338 3.933 1.00 0.00 C ATOM 778 CG ASP A 46 -5.181 9.182 5.024 1.00 0.00 C ATOM 779 OD1 ASP A 46 -4.859 10.386 5.104 1.00 0.00 O ATOM 780 OD2 ASP A 46 -5.996 8.639 5.798 1.00 0.00 O ATOM 0 H ASP A 46 -3.261 10.519 4.107 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.617 8.521 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.266 7.587 3.599 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.693 7.803 4.342 1.00 0.00 H new ATOM 785 N HIS A 47 -5.223 10.024 0.758 1.00 0.00 N ATOM 786 CA HIS A 47 -6.307 10.645 0.006 1.00 0.00 C ATOM 787 C HIS A 47 -6.325 10.152 -1.437 1.00 0.00 C ATOM 788 O HIS A 47 -5.495 9.333 -1.835 1.00 0.00 O ATOM 789 CB HIS A 47 -6.168 12.167 0.035 1.00 0.00 C ATOM 790 CG HIS A 47 -4.790 12.652 -0.297 1.00 0.00 C ATOM 791 ND1 HIS A 47 -3.860 11.881 -0.965 1.00 0.00 N ATOM 792 CD2 HIS A 47 -4.186 13.837 -0.052 1.00 0.00 C ATOM 793 CE1 HIS A 47 -2.744 12.572 -1.115 1.00 0.00 C ATOM 794 NE2 HIS A 47 -2.915 13.761 -0.569 1.00 0.00 N ATOM 0 H HIS A 47 -4.416 9.759 0.194 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.249 10.363 0.477 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -6.876 12.601 -0.671 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -6.442 12.529 1.026 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.621 14.685 0.455 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.845 12.223 -1.602 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -2.217 14.504 -0.536 1.00 0.00 H new ATOM 803 N ALA A 48 -7.275 10.657 -2.217 1.00 0.00 N ATOM 804 CA ALA A 48 -7.400 10.270 -3.616 1.00 0.00 C ATOM 805 C ALA A 48 -6.473 11.098 -4.500 1.00 0.00 C ATOM 806 O ALA A 48 -6.518 12.329 -4.481 1.00 0.00 O ATOM 807 CB ALA A 48 -8.844 10.418 -4.076 1.00 0.00 C ATOM 0 H ALA A 48 -7.969 11.335 -1.903 1.00 0.00 H new ATOM 0 HA ALA A 48 -7.106 9.224 -3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.924 10.126 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.486 9.778 -3.471 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.157 11.456 -3.964 1.00 0.00 H new ATOM 813 N LEU A 49 -5.634 10.417 -5.272 1.00 0.00 N ATOM 814 CA LEU A 49 -4.696 11.090 -6.162 1.00 0.00 C ATOM 815 C LEU A 49 -5.423 11.707 -7.353 1.00 0.00 C ATOM 816 O LEU A 49 -6.647 11.624 -7.455 1.00 0.00 O ATOM 817 CB LEU A 49 -3.630 10.109 -6.652 1.00 0.00 C ATOM 818 CG LEU A 49 -2.719 9.542 -5.560 1.00 0.00 C ATOM 819 CD1 LEU A 49 -1.849 8.427 -6.117 1.00 0.00 C ATOM 820 CD2 LEU A 49 -1.860 10.643 -4.959 1.00 0.00 C ATOM 0 H LEU A 49 -5.584 9.399 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.212 11.889 -5.601 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.126 9.280 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.011 10.611 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.345 9.126 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.208 8.036 -5.327 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.483 7.627 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.231 8.817 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.219 10.222 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.243 11.089 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.502 11.408 -4.522 1.00 0.00 H new ATOM 832 N LYS A 50 -4.661 12.324 -8.250 1.00 0.00 N ATOM 833 CA LYS A 50 -5.234 12.955 -9.434 1.00 0.00 C ATOM 834 C LYS A 50 -4.866 12.181 -10.696 1.00 0.00 C ATOM 835 O LYS A 50 -4.063 11.248 -10.653 1.00 0.00 O ATOM 836 CB LYS A 50 -4.752 14.401 -9.551 1.00 0.00 C ATOM 837 CG LYS A 50 -5.527 15.374 -8.675 1.00 0.00 C ATOM 838 CD LYS A 50 -5.891 16.641 -9.432 1.00 0.00 C ATOM 839 CE LYS A 50 -7.292 17.117 -9.082 1.00 0.00 C ATOM 840 NZ LYS A 50 -7.418 17.459 -7.638 1.00 0.00 N ATOM 0 H LYS A 50 -3.646 12.401 -8.180 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.319 12.948 -9.329 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.696 14.446 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.831 14.719 -10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.435 14.893 -8.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.930 15.631 -7.800 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.171 17.425 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.826 16.457 -10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.540 17.991 -9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.013 16.340 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.355 17.874 -7.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.307 16.597 -7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.680 18.145 -7.378 1.00 0.00 H new ATOM 854 N GLY A 51 -5.456 12.578 -11.819 1.00 0.00 N ATOM 855 CA GLY A 51 -5.177 11.914 -13.079 1.00 0.00 C ATOM 856 C GLY A 51 -5.915 10.596 -13.219 1.00 0.00 C ATOM 857 O GLY A 51 -7.146 10.564 -13.226 1.00 0.00 O ATOM 0 H GLY A 51 -6.122 13.348 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.456 12.572 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.105 11.737 -13.163 1.00 0.00 H new ATOM 861 N LYS A 52 -5.161 9.508 -13.333 1.00 0.00 N ATOM 862 CA LYS A 52 -5.747 8.180 -13.477 1.00 0.00 C ATOM 863 C LYS A 52 -5.983 7.527 -12.116 1.00 0.00 C ATOM 864 O LYS A 52 -6.754 6.573 -12.004 1.00 0.00 O ATOM 865 CB LYS A 52 -4.839 7.290 -14.329 1.00 0.00 C ATOM 866 CG LYS A 52 -4.681 7.776 -15.762 1.00 0.00 C ATOM 867 CD LYS A 52 -5.160 6.736 -16.763 1.00 0.00 C ATOM 868 CE LYS A 52 -5.298 7.327 -18.156 1.00 0.00 C ATOM 869 NZ LYS A 52 -6.621 7.981 -18.354 1.00 0.00 N ATOM 0 H LYS A 52 -4.141 9.520 -13.328 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.711 8.293 -13.973 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.856 7.236 -13.862 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.243 6.278 -14.340 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.245 8.699 -15.898 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.634 8.011 -15.954 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.458 5.903 -16.788 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.120 6.334 -16.440 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.505 8.056 -18.321 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.167 6.540 -18.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.675 8.371 -19.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.378 7.280 -18.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.736 8.749 -17.662 1.00 0.00 H new ATOM 883 N TRP A 53 -5.318 8.042 -11.085 1.00 0.00 N ATOM 884 CA TRP A 53 -5.462 7.501 -9.739 1.00 0.00 C ATOM 885 C TRP A 53 -6.488 8.295 -8.935 1.00 0.00 C ATOM 886 O TRP A 53 -6.311 8.524 -7.739 1.00 0.00 O ATOM 887 CB TRP A 53 -4.114 7.512 -9.016 1.00 0.00 C ATOM 888 CG TRP A 53 -3.065 6.691 -9.701 1.00 0.00 C ATOM 889 CD1 TRP A 53 -2.920 5.335 -9.646 1.00 0.00 C ATOM 890 CD2 TRP A 53 -2.011 7.175 -10.541 1.00 0.00 C ATOM 891 NE1 TRP A 53 -1.841 4.945 -10.402 1.00 0.00 N ATOM 892 CE2 TRP A 53 -1.265 6.057 -10.962 1.00 0.00 C ATOM 893 CE3 TRP A 53 -1.626 8.445 -10.981 1.00 0.00 C ATOM 894 CZ2 TRP A 53 -0.159 6.172 -11.800 1.00 0.00 C ATOM 895 CZ3 TRP A 53 -0.526 8.558 -11.811 1.00 0.00 C ATOM 896 CH2 TRP A 53 0.195 7.426 -12.214 1.00 0.00 C ATOM 0 H TRP A 53 -4.676 8.831 -11.157 1.00 0.00 H new ATOM 0 HA TRP A 53 -5.814 6.473 -9.826 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.763 8.541 -8.933 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.251 7.139 -8.001 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.560 4.666 -9.090 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.520 3.985 -10.527 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.178 9.322 -10.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.399 5.302 -12.112 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.217 9.534 -12.154 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.048 7.547 -12.865 1.00 0.00 H new ATOM 907 N LYS A 54 -7.561 8.711 -9.599 1.00 0.00 N ATOM 908 CA LYS A 54 -8.614 9.478 -8.943 1.00 0.00 C ATOM 909 C LYS A 54 -9.605 8.556 -8.237 1.00 0.00 C ATOM 910 O LYS A 54 -9.905 8.743 -7.059 1.00 0.00 O ATOM 911 CB LYS A 54 -9.344 10.363 -9.958 1.00 0.00 C ATOM 912 CG LYS A 54 -8.970 11.833 -9.863 1.00 0.00 C ATOM 913 CD LYS A 54 -9.552 12.635 -11.017 1.00 0.00 C ATOM 914 CE LYS A 54 -10.643 13.583 -10.544 1.00 0.00 C ATOM 915 NZ LYS A 54 -10.890 14.678 -11.522 1.00 0.00 N ATOM 0 H LYS A 54 -7.724 8.530 -10.589 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.148 10.116 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.124 10.005 -10.964 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.419 10.260 -9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.330 12.240 -8.918 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.885 11.933 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.759 13.204 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.959 11.955 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.565 13.024 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -10.360 14.012 -9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.640 15.302 -11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.017 15.227 -11.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.185 14.271 -12.432 1.00 0.00 H new ATOM 929 N PRO A 55 -10.126 7.540 -8.949 1.00 0.00 N ATOM 930 CA PRO A 55 -11.083 6.587 -8.378 1.00 0.00 C ATOM 931 C PRO A 55 -10.460 5.715 -7.290 1.00 0.00 C ATOM 932 O PRO A 55 -11.162 4.976 -6.599 1.00 0.00 O ATOM 933 CB PRO A 55 -11.505 5.721 -9.576 1.00 0.00 C ATOM 934 CG PRO A 55 -11.035 6.456 -10.787 1.00 0.00 C ATOM 935 CD PRO A 55 -9.827 7.234 -10.355 1.00 0.00 C ATOM 0 HA PRO A 55 -11.915 7.100 -7.895 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.056 4.729 -9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.586 5.581 -9.597 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.786 5.764 -11.592 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.812 7.120 -11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.912 6.651 -10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.695 8.139 -10.947 1.00 0.00 H new ATOM 943 N PHE A 56 -9.140 5.800 -7.140 1.00 0.00 N ATOM 944 CA PHE A 56 -8.434 5.012 -6.136 1.00 0.00 C ATOM 945 C PHE A 56 -8.002 5.883 -4.959 1.00 0.00 C ATOM 946 O PHE A 56 -8.385 7.048 -4.861 1.00 0.00 O ATOM 947 CB PHE A 56 -7.214 4.331 -6.758 1.00 0.00 C ATOM 948 CG PHE A 56 -7.507 3.647 -8.061 1.00 0.00 C ATOM 949 CD1 PHE A 56 -7.577 4.373 -9.239 1.00 0.00 C ATOM 950 CD2 PHE A 56 -7.713 2.278 -8.109 1.00 0.00 C ATOM 951 CE1 PHE A 56 -7.847 3.746 -10.441 1.00 0.00 C ATOM 952 CE2 PHE A 56 -7.984 1.645 -9.308 1.00 0.00 C ATOM 953 CZ PHE A 56 -8.051 2.380 -10.475 1.00 0.00 C ATOM 0 H PHE A 56 -8.540 6.406 -7.700 1.00 0.00 H new ATOM 0 HA PHE A 56 -9.118 4.249 -5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -6.434 5.076 -6.916 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.819 3.599 -6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.419 5.441 -9.218 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.661 1.698 -7.199 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -7.898 4.323 -11.352 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -8.143 0.577 -9.332 1.00 0.00 H new ATOM 0 HZ PHE A 56 -8.263 1.888 -11.413 1.00 0.00 H new ATOM 963 N ARG A 57 -7.202 5.305 -4.068 1.00 0.00 N ATOM 964 CA ARG A 57 -6.716 6.023 -2.896 1.00 0.00 C ATOM 965 C ARG A 57 -5.247 5.701 -2.632 1.00 0.00 C ATOM 966 O ARG A 57 -4.833 4.544 -2.709 1.00 0.00 O ATOM 967 CB ARG A 57 -7.559 5.661 -1.672 1.00 0.00 C ATOM 968 CG ARG A 57 -7.424 6.647 -0.520 1.00 0.00 C ATOM 969 CD ARG A 57 -8.559 6.488 0.481 1.00 0.00 C ATOM 970 NE ARG A 57 -9.530 7.577 0.388 1.00 0.00 N ATOM 971 CZ ARG A 57 -9.440 8.717 1.072 1.00 0.00 C ATOM 972 NH1 ARG A 57 -8.412 8.937 1.882 1.00 0.00 N ATOM 973 NH2 ARG A 57 -10.379 9.644 0.939 1.00 0.00 N ATOM 0 H ARG A 57 -6.877 4.341 -4.136 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.804 7.092 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -8.606 5.603 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -7.271 4.669 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.469 6.493 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.419 7.665 -0.909 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.063 5.537 0.309 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -8.149 6.453 1.491 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.325 7.457 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.683 8.231 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.351 9.812 2.402 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.169 9.484 0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.311 10.517 1.462 1.00 0.00 H new ATOM 987 N GLU A 58 -4.465 6.730 -2.327 1.00 0.00 N ATOM 988 CA GLU A 58 -3.042 6.554 -2.056 1.00 0.00 C ATOM 989 C GLU A 58 -2.745 6.694 -0.567 1.00 0.00 C ATOM 990 O GLU A 58 -3.557 7.224 0.192 1.00 0.00 O ATOM 991 CB GLU A 58 -2.220 7.573 -2.849 1.00 0.00 C ATOM 992 CG GLU A 58 -0.719 7.343 -2.764 1.00 0.00 C ATOM 993 CD GLU A 58 -0.315 5.951 -3.212 1.00 0.00 C ATOM 994 OE1 GLU A 58 -0.575 4.988 -2.462 1.00 0.00 O ATOM 995 OE2 GLU A 58 0.262 5.827 -4.313 1.00 0.00 O ATOM 0 H GLU A 58 -4.791 7.694 -2.261 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.763 5.548 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.526 7.539 -3.895 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.447 8.574 -2.483 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.207 8.082 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.389 7.500 -1.737 1.00 0.00 H new ATOM 1002 N CYS A 59 -1.575 6.213 -0.154 1.00 0.00 N ATOM 1003 CA CYS A 59 -1.170 6.284 1.245 1.00 0.00 C ATOM 1004 C CYS A 59 0.333 6.069 1.388 1.00 0.00 C ATOM 1005 O CYS A 59 0.852 5.004 1.055 1.00 0.00 O ATOM 1006 CB CYS A 59 -1.926 5.243 2.072 1.00 0.00 C ATOM 1007 SG CYS A 59 -2.115 5.680 3.815 1.00 0.00 S ATOM 0 H CYS A 59 -0.892 5.770 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.414 7.279 1.617 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.914 5.097 1.636 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.402 4.290 2.002 1.00 0.00 H new ATOM 0 HG CYS A 59 -0.960 5.610 4.408 1.00 0.00 H new ATOM 1013 N HIS A 60 1.026 7.086 1.889 1.00 0.00 N ATOM 1014 CA HIS A 60 2.470 7.008 2.077 1.00 0.00 C ATOM 1015 C HIS A 60 2.811 6.473 3.465 1.00 0.00 C ATOM 1016 O HIS A 60 2.962 7.239 4.417 1.00 0.00 O ATOM 1017 CB HIS A 60 3.105 8.387 1.879 1.00 0.00 C ATOM 1018 CG HIS A 60 2.896 8.951 0.509 1.00 0.00 C ATOM 1019 ND1 HIS A 60 3.910 9.511 -0.238 1.00 0.00 N ATOM 1020 CD2 HIS A 60 1.778 9.037 -0.251 1.00 0.00 C ATOM 1021 CE1 HIS A 60 3.426 9.921 -1.398 1.00 0.00 C ATOM 1022 NE2 HIS A 60 2.135 9.644 -1.431 1.00 0.00 N ATOM 0 H HIS A 60 0.611 7.974 2.172 1.00 0.00 H new ATOM 0 HA HIS A 60 2.872 6.319 1.334 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.691 9.077 2.614 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.175 8.317 2.075 1.00 0.00 H new ATOM 0 HD2 HIS A 60 0.791 8.693 0.020 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.990 10.401 -2.184 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.505 9.848 -2.207 1.00 0.00 H new ATOM 1031 N ILE A 61 2.927 5.153 3.573 1.00 0.00 N ATOM 1032 CA ILE A 61 3.250 4.514 4.843 1.00 0.00 C ATOM 1033 C ILE A 61 4.604 4.986 5.366 1.00 0.00 C ATOM 1034 O ILE A 61 4.821 5.061 6.575 1.00 0.00 O ATOM 1035 CB ILE A 61 3.266 2.978 4.711 1.00 0.00 C ATOM 1036 CG1 ILE A 61 1.965 2.488 4.070 1.00 0.00 C ATOM 1037 CG2 ILE A 61 3.472 2.327 6.072 1.00 0.00 C ATOM 1038 CD1 ILE A 61 2.080 2.241 2.581 1.00 0.00 C ATOM 0 H ILE A 61 2.802 4.505 2.795 1.00 0.00 H new ATOM 0 HA ILE A 61 2.472 4.800 5.550 1.00 0.00 H new ATOM 0 HB ILE A 61 4.098 2.693 4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.653 1.566 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.182 3.225 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.481 1.243 5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.422 2.656 6.492 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.661 2.616 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.121 1.896 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.362 3.167 2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.840 1.482 2.396 1.00 0.00 H new ATOM 1050 N LYS A 62 5.508 5.302 4.446 1.00 0.00 N ATOM 1051 CA LYS A 62 6.841 5.766 4.811 1.00 0.00 C ATOM 1052 C LYS A 62 7.306 6.871 3.868 1.00 0.00 C ATOM 1053 O LYS A 62 6.645 7.165 2.871 1.00 0.00 O ATOM 1054 CB LYS A 62 7.830 4.599 4.781 1.00 0.00 C ATOM 1055 CG LYS A 62 7.990 3.901 6.122 1.00 0.00 C ATOM 1056 CD LYS A 62 9.432 3.489 6.368 1.00 0.00 C ATOM 1057 CE LYS A 62 9.727 3.356 7.853 1.00 0.00 C ATOM 1058 NZ LYS A 62 10.319 4.600 8.418 1.00 0.00 N ATOM 0 H LYS A 62 5.342 5.245 3.441 1.00 0.00 H new ATOM 0 HA LYS A 62 6.799 6.172 5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.498 3.872 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.803 4.967 4.454 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.659 4.565 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.349 3.020 6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.630 2.540 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.103 4.227 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.806 3.118 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.412 2.523 8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.505 4.466 9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.211 4.814 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.655 5.390 8.289 1.00 0.00 H new ATOM 1072 N PRO A 63 8.457 7.503 4.166 1.00 0.00 N ATOM 1073 CA PRO A 63 9.006 8.582 3.338 1.00 0.00 C ATOM 1074 C PRO A 63 9.453 8.098 1.963 1.00 0.00 C ATOM 1075 O PRO A 63 9.828 8.897 1.103 1.00 0.00 O ATOM 1076 CB PRO A 63 10.210 9.094 4.143 1.00 0.00 C ATOM 1077 CG PRO A 63 10.050 8.517 5.510 1.00 0.00 C ATOM 1078 CD PRO A 63 9.308 7.225 5.331 1.00 0.00 C ATOM 0 HA PRO A 63 8.257 9.349 3.139 1.00 0.00 H new ATOM 0 HB2 PRO A 63 11.149 8.776 3.690 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.225 10.183 4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.020 8.348 5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.498 9.197 6.158 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.985 6.391 5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.719 6.971 6.212 1.00 0.00 H new ATOM 1086 N ASP A 64 9.410 6.789 1.761 1.00 0.00 N ATOM 1087 CA ASP A 64 9.804 6.194 0.491 1.00 0.00 C ATOM 1088 C ASP A 64 8.898 5.018 0.137 1.00 0.00 C ATOM 1089 O ASP A 64 9.300 4.108 -0.588 1.00 0.00 O ATOM 1090 CB ASP A 64 11.261 5.730 0.553 1.00 0.00 C ATOM 1091 CG ASP A 64 11.518 4.785 1.711 1.00 0.00 C ATOM 1092 OD1 ASP A 64 11.213 3.581 1.574 1.00 0.00 O ATOM 1093 OD2 ASP A 64 12.024 5.249 2.754 1.00 0.00 O ATOM 0 H ASP A 64 9.105 6.115 2.464 1.00 0.00 H new ATOM 0 HA ASP A 64 9.704 6.953 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.522 5.234 -0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.913 6.599 0.645 1.00 0.00 H new ATOM 1098 N VAL A 65 7.672 5.045 0.653 1.00 0.00 N ATOM 1099 CA VAL A 65 6.709 3.982 0.391 1.00 0.00 C ATOM 1100 C VAL A 65 5.306 4.545 0.199 1.00 0.00 C ATOM 1101 O VAL A 65 4.896 5.476 0.893 1.00 0.00 O ATOM 1102 CB VAL A 65 6.685 2.949 1.534 1.00 0.00 C ATOM 1103 CG1 VAL A 65 5.672 1.848 1.248 1.00 0.00 C ATOM 1104 CG2 VAL A 65 8.069 2.361 1.746 1.00 0.00 C ATOM 0 H VAL A 65 7.323 5.791 1.254 1.00 0.00 H new ATOM 0 HA VAL A 65 7.027 3.488 -0.527 1.00 0.00 H new ATOM 0 HB VAL A 65 6.382 3.458 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.673 1.131 2.069 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.678 2.285 1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.939 1.340 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.035 1.633 2.557 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.400 1.870 0.831 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.767 3.158 2.003 1.00 0.00 H new ATOM 1114 N LEU A 66 4.575 3.969 -0.747 1.00 0.00 N ATOM 1115 CA LEU A 66 3.214 4.405 -1.036 1.00 0.00 C ATOM 1116 C LEU A 66 2.437 3.309 -1.756 1.00 0.00 C ATOM 1117 O LEU A 66 2.713 2.998 -2.916 1.00 0.00 O ATOM 1118 CB LEU A 66 3.225 5.682 -1.884 1.00 0.00 C ATOM 1119 CG LEU A 66 4.534 5.968 -2.624 1.00 0.00 C ATOM 1120 CD1 LEU A 66 4.252 6.601 -3.980 1.00 0.00 C ATOM 1121 CD2 LEU A 66 5.436 6.868 -1.789 1.00 0.00 C ATOM 0 H LEU A 66 4.902 3.197 -1.328 1.00 0.00 H new ATOM 0 HA LEU A 66 2.720 4.617 -0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.420 5.618 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.001 6.530 -1.236 1.00 0.00 H new ATOM 0 HG LEU A 66 5.051 5.022 -2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.194 6.798 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.647 5.921 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.713 7.538 -3.839 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.362 7.060 -2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.928 7.812 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.665 6.377 -0.843 1.00 0.00 H new ATOM 1133 N LEU A 67 1.465 2.724 -1.064 1.00 0.00 N ATOM 1134 CA LEU A 67 0.650 1.662 -1.640 1.00 0.00 C ATOM 1135 C LEU A 67 -0.765 2.162 -1.927 1.00 0.00 C ATOM 1136 O LEU A 67 -1.400 2.786 -1.077 1.00 0.00 O ATOM 1137 CB LEU A 67 0.629 0.445 -0.700 1.00 0.00 C ATOM 1138 CG LEU A 67 -0.709 0.142 -0.017 1.00 0.00 C ATOM 1139 CD1 LEU A 67 -1.655 -0.559 -0.980 1.00 0.00 C ATOM 1140 CD2 LEU A 67 -0.489 -0.705 1.229 1.00 0.00 C ATOM 0 H LEU A 67 1.223 2.968 -0.104 1.00 0.00 H new ATOM 0 HA LEU A 67 1.091 1.355 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.930 -0.434 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.382 0.596 0.073 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.165 1.086 0.283 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.599 -0.766 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.836 0.082 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.208 -1.496 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.449 -0.912 1.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.012 -1.645 0.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.151 -0.166 1.927 1.00 0.00 H new ATOM 1152 N VAL A 68 -1.251 1.884 -3.132 1.00 0.00 N ATOM 1153 CA VAL A 68 -2.587 2.304 -3.534 1.00 0.00 C ATOM 1154 C VAL A 68 -3.626 1.253 -3.158 1.00 0.00 C ATOM 1155 O VAL A 68 -3.383 0.053 -3.282 1.00 0.00 O ATOM 1156 CB VAL A 68 -2.660 2.563 -5.052 1.00 0.00 C ATOM 1157 CG1 VAL A 68 -4.028 3.106 -5.442 1.00 0.00 C ATOM 1158 CG2 VAL A 68 -1.558 3.519 -5.482 1.00 0.00 C ATOM 0 H VAL A 68 -0.738 1.369 -3.848 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.803 3.232 -3.004 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.513 1.615 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.057 3.281 -6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.797 2.383 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.211 4.043 -4.917 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.624 3.691 -6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.672 4.466 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.587 3.086 -5.243 1.00 0.00 H new ATOM 1168 N TYR A 69 -4.786 1.714 -2.698 1.00 0.00 N ATOM 1169 CA TYR A 69 -5.861 0.813 -2.303 1.00 0.00 C ATOM 1170 C TYR A 69 -7.225 1.430 -2.598 1.00 0.00 C ATOM 1171 O TYR A 69 -7.349 2.646 -2.740 1.00 0.00 O ATOM 1172 CB TYR A 69 -5.751 0.477 -0.815 1.00 0.00 C ATOM 1173 CG TYR A 69 -5.546 1.687 0.068 1.00 0.00 C ATOM 1174 CD1 TYR A 69 -6.518 2.675 0.163 1.00 0.00 C ATOM 1175 CD2 TYR A 69 -4.380 1.841 0.807 1.00 0.00 C ATOM 1176 CE1 TYR A 69 -6.333 3.783 0.970 1.00 0.00 C ATOM 1177 CE2 TYR A 69 -4.188 2.945 1.617 1.00 0.00 C ATOM 1178 CZ TYR A 69 -5.168 3.913 1.694 1.00 0.00 C ATOM 1179 OH TYR A 69 -4.982 5.013 2.498 1.00 0.00 O ATOM 0 H TYR A 69 -5.004 2.705 -2.590 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.765 -0.104 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -6.657 -0.042 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.921 -0.214 -0.668 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.433 2.576 -0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.610 1.086 0.748 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.098 4.543 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.276 3.049 2.186 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.199 4.871 3.070 1.00 0.00 H new ATOM 1189 N LEU A 70 -8.245 0.582 -2.688 1.00 0.00 N ATOM 1190 CA LEU A 70 -9.600 1.045 -2.965 1.00 0.00 C ATOM 1191 C LEU A 70 -10.485 0.905 -1.730 1.00 0.00 C ATOM 1192 O LEU A 70 -10.078 0.320 -0.727 1.00 0.00 O ATOM 1193 CB LEU A 70 -10.200 0.256 -4.132 1.00 0.00 C ATOM 1194 CG LEU A 70 -10.998 1.090 -5.135 1.00 0.00 C ATOM 1195 CD1 LEU A 70 -10.068 1.959 -5.967 1.00 0.00 C ATOM 1196 CD2 LEU A 70 -11.832 0.188 -6.033 1.00 0.00 C ATOM 0 H LEU A 70 -8.159 -0.428 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.551 2.100 -3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.393 -0.248 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -10.850 -0.520 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.672 1.743 -4.581 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.654 2.545 -6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.514 2.630 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.369 1.325 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.394 0.798 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.175 -0.489 -6.579 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.525 -0.392 -5.423 1.00 0.00 H new ATOM 1208 N VAL A 71 -11.696 1.447 -1.811 1.00 0.00 N ATOM 1209 CA VAL A 71 -12.637 1.381 -0.699 1.00 0.00 C ATOM 1210 C VAL A 71 -13.947 0.727 -1.124 1.00 0.00 C ATOM 1211 O VAL A 71 -14.774 1.347 -1.793 1.00 0.00 O ATOM 1212 CB VAL A 71 -12.935 2.783 -0.130 1.00 0.00 C ATOM 1213 CG1 VAL A 71 -13.793 2.683 1.122 1.00 0.00 C ATOM 1214 CG2 VAL A 71 -11.642 3.530 0.160 1.00 0.00 C ATOM 0 H VAL A 71 -12.048 1.936 -2.634 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.168 0.775 0.076 1.00 0.00 H new ATOM 0 HB VAL A 71 -13.492 3.345 -0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.992 3.683 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -14.736 2.194 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.267 2.100 1.878 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -11.874 4.517 0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.055 2.971 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.070 3.638 -0.761 1.00 0.00 H new ATOM 1224 N LYS A 72 -14.130 -0.529 -0.730 1.00 0.00 N ATOM 1225 CA LYS A 72 -15.339 -1.269 -1.069 1.00 0.00 C ATOM 1226 C LYS A 72 -16.372 -1.159 0.050 1.00 0.00 C ATOM 1227 O LYS A 72 -16.063 -0.698 1.148 1.00 0.00 O ATOM 1228 CB LYS A 72 -15.004 -2.741 -1.331 1.00 0.00 C ATOM 1229 CG LYS A 72 -15.526 -3.256 -2.662 1.00 0.00 C ATOM 1230 CD LYS A 72 -15.005 -4.654 -2.959 1.00 0.00 C ATOM 1231 CE LYS A 72 -15.850 -5.722 -2.281 1.00 0.00 C ATOM 1232 NZ LYS A 72 -15.040 -6.572 -1.366 1.00 0.00 N ATOM 0 H LYS A 72 -13.455 -1.056 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.763 -0.835 -1.975 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.922 -2.870 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.420 -3.348 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.616 -3.268 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.225 -2.577 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.002 -4.821 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.972 -4.737 -2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.654 -5.246 -1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.319 -6.349 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.646 -6.937 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.636 -7.369 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.271 -6.005 -0.955 1.00 0.00 H new ATOM 1246 N ASP A 73 -17.599 -1.586 -0.237 1.00 0.00 N ATOM 1247 CA ASP A 73 -18.672 -1.534 0.748 1.00 0.00 C ATOM 1248 C ASP A 73 -18.306 -2.338 1.992 1.00 0.00 C ATOM 1249 O ASP A 73 -18.347 -3.568 1.984 1.00 0.00 O ATOM 1250 CB ASP A 73 -19.973 -2.069 0.148 1.00 0.00 C ATOM 1251 CG ASP A 73 -20.556 -1.136 -0.895 1.00 0.00 C ATOM 1252 OD1 ASP A 73 -20.605 0.084 -0.637 1.00 0.00 O ATOM 1253 OD2 ASP A 73 -20.963 -1.627 -1.969 1.00 0.00 O ATOM 0 H ASP A 73 -17.873 -1.970 -1.141 1.00 0.00 H new ATOM 0 HA ASP A 73 -18.815 -0.493 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -19.788 -3.044 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -20.702 -2.220 0.944 1.00 0.00 H new ATOM 1258 N ASP A 74 -17.943 -1.632 3.058 1.00 0.00 N ATOM 1259 CA ASP A 74 -17.563 -2.277 4.310 1.00 0.00 C ATOM 1260 C ASP A 74 -16.406 -3.252 4.098 1.00 0.00 C ATOM 1261 O ASP A 74 -16.202 -4.170 4.893 1.00 0.00 O ATOM 1262 CB ASP A 74 -18.762 -3.012 4.912 1.00 0.00 C ATOM 1263 CG ASP A 74 -19.503 -2.171 5.934 1.00 0.00 C ATOM 1264 OD1 ASP A 74 -19.459 -0.928 5.823 1.00 0.00 O ATOM 1265 OD2 ASP A 74 -20.126 -2.756 6.844 1.00 0.00 O ATOM 0 H ASP A 74 -17.904 -0.613 3.080 1.00 0.00 H new ATOM 0 HA ASP A 74 -17.234 -1.502 5.002 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -19.448 -3.297 4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -18.420 -3.934 5.383 1.00 0.00 H new ATOM 1270 N GLU A 75 -15.652 -3.048 3.021 1.00 0.00 N ATOM 1271 CA GLU A 75 -14.518 -3.909 2.704 1.00 0.00 C ATOM 1272 C GLU A 75 -13.426 -3.122 1.986 1.00 0.00 C ATOM 1273 O GLU A 75 -13.711 -2.305 1.112 1.00 0.00 O ATOM 1274 CB GLU A 75 -14.970 -5.084 1.833 1.00 0.00 C ATOM 1275 CG GLU A 75 -15.886 -6.062 2.551 1.00 0.00 C ATOM 1276 CD GLU A 75 -16.638 -6.966 1.594 1.00 0.00 C ATOM 1277 OE1 GLU A 75 -15.980 -7.654 0.786 1.00 0.00 O ATOM 1278 OE2 GLU A 75 -17.886 -6.985 1.653 1.00 0.00 O ATOM 0 H GLU A 75 -15.807 -2.293 2.353 1.00 0.00 H new ATOM 0 HA GLU A 75 -14.112 -4.294 3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -15.485 -4.696 0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.090 -5.619 1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -15.296 -6.673 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.601 -5.506 3.158 1.00 0.00 H new ATOM 1285 N LEU A 76 -12.176 -3.374 2.360 1.00 0.00 N ATOM 1286 CA LEU A 76 -11.045 -2.689 1.746 1.00 0.00 C ATOM 1287 C LEU A 76 -10.262 -3.634 0.840 1.00 0.00 C ATOM 1288 O LEU A 76 -10.122 -4.819 1.138 1.00 0.00 O ATOM 1289 CB LEU A 76 -10.121 -2.116 2.825 1.00 0.00 C ATOM 1290 CG LEU A 76 -9.113 -1.077 2.328 1.00 0.00 C ATOM 1291 CD1 LEU A 76 -9.721 0.317 2.365 1.00 0.00 C ATOM 1292 CD2 LEU A 76 -7.842 -1.130 3.163 1.00 0.00 C ATOM 0 H LEU A 76 -11.921 -4.046 3.084 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.434 -1.872 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.734 -1.662 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.575 -2.938 3.288 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.856 -1.310 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.990 1.042 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.603 0.346 1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.006 0.563 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.135 -0.385 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -8.082 -0.921 4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.397 -2.122 3.085 1.00 0.00 H new ATOM 1304 N ILE A 77 -9.756 -3.100 -0.266 1.00 0.00 N ATOM 1305 CA ILE A 77 -8.990 -3.899 -1.216 1.00 0.00 C ATOM 1306 C ILE A 77 -7.687 -3.203 -1.598 1.00 0.00 C ATOM 1307 O ILE A 77 -7.685 -2.024 -1.959 1.00 0.00 O ATOM 1308 CB ILE A 77 -9.805 -4.190 -2.494 1.00 0.00 C ATOM 1309 CG1 ILE A 77 -10.044 -2.902 -3.287 1.00 0.00 C ATOM 1310 CG2 ILE A 77 -11.130 -4.851 -2.138 1.00 0.00 C ATOM 1311 CD1 ILE A 77 -9.034 -2.678 -4.391 1.00 0.00 C ATOM 0 H ILE A 77 -9.862 -2.120 -0.527 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.759 -4.843 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.232 -4.875 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.044 -2.931 -3.720 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -10.018 -2.053 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -11.694 -5.050 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.940 -5.789 -1.617 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.706 -4.187 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -9.264 -1.748 -4.911 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -8.034 -2.616 -3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.076 -3.508 -5.096 1.00 0.00 H new ATOM 1323 N LEU A 78 -6.583 -3.936 -1.519 1.00 0.00 N ATOM 1324 CA LEU A 78 -5.276 -3.387 -1.860 1.00 0.00 C ATOM 1325 C LEU A 78 -5.109 -3.289 -3.374 1.00 0.00 C ATOM 1326 O LEU A 78 -5.448 -4.218 -4.105 1.00 0.00 O ATOM 1327 CB LEU A 78 -4.164 -4.254 -1.267 1.00 0.00 C ATOM 1328 CG LEU A 78 -4.250 -4.470 0.246 1.00 0.00 C ATOM 1329 CD1 LEU A 78 -3.134 -5.387 0.718 1.00 0.00 C ATOM 1330 CD2 LEU A 78 -4.191 -3.137 0.976 1.00 0.00 C ATOM 0 H LEU A 78 -6.566 -4.912 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.208 -2.384 -1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.180 -5.226 -1.759 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.203 -3.795 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.204 -4.946 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.211 -5.529 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.220 -6.352 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.169 -4.939 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.253 -3.308 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.252 -2.635 0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.025 -2.511 0.659 1.00 0.00 H new ATOM 1342 N LEU A 79 -4.587 -2.157 -3.836 1.00 0.00 N ATOM 1343 CA LEU A 79 -4.381 -1.940 -5.262 1.00 0.00 C ATOM 1344 C LEU A 79 -2.961 -2.318 -5.677 1.00 0.00 C ATOM 1345 O LEU A 79 -2.763 -3.226 -6.482 1.00 0.00 O ATOM 1346 CB LEU A 79 -4.667 -0.480 -5.626 1.00 0.00 C ATOM 1347 CG LEU A 79 -5.644 -0.282 -6.787 1.00 0.00 C ATOM 1348 CD1 LEU A 79 -5.142 -0.989 -8.036 1.00 0.00 C ATOM 1349 CD2 LEU A 79 -7.030 -0.784 -6.407 1.00 0.00 C ATOM 0 H LEU A 79 -4.300 -1.378 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.075 -2.582 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.064 0.027 -4.746 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.725 0.007 -5.877 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.711 0.784 -7.003 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.851 -0.836 -8.850 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.171 -0.582 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.044 -2.056 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.713 -0.636 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.979 -1.845 -6.164 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.392 -0.231 -5.541 1.00 0.00 H new ATOM 1361 N ARG A 80 -1.974 -1.614 -5.124 1.00 0.00 N ATOM 1362 CA ARG A 80 -0.579 -1.887 -5.447 1.00 0.00 C ATOM 1363 C ARG A 80 0.366 -1.216 -4.454 1.00 0.00 C ATOM 1364 O ARG A 80 -0.033 -0.328 -3.703 1.00 0.00 O ATOM 1365 CB ARG A 80 -0.263 -1.416 -6.870 1.00 0.00 C ATOM 1366 CG ARG A 80 -0.261 0.097 -7.027 1.00 0.00 C ATOM 1367 CD ARG A 80 1.153 0.650 -7.137 1.00 0.00 C ATOM 1368 NE ARG A 80 1.351 1.404 -8.373 1.00 0.00 N ATOM 1369 CZ ARG A 80 2.545 1.675 -8.893 1.00 0.00 C ATOM 1370 NH1 ARG A 80 3.651 1.258 -8.290 1.00 0.00 N ATOM 1371 NH2 ARG A 80 2.634 2.367 -10.021 1.00 0.00 N ATOM 0 H ARG A 80 -2.115 -0.857 -4.456 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.427 -2.964 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.712 -1.804 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.995 -1.843 -7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.829 0.371 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.764 0.552 -6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.358 1.295 -6.282 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.868 -0.172 -7.095 1.00 0.00 H new ATOM 0 HE ARG A 80 0.525 1.743 -8.866 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.589 0.726 -7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.563 1.469 -8.695 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.787 2.691 -10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.549 2.575 -10.421 1.00 0.00 H new ATOM 1385 N LEU A 81 1.622 -1.651 -4.462 1.00 0.00 N ATOM 1386 CA LEU A 81 2.634 -1.099 -3.567 1.00 0.00 C ATOM 1387 C LEU A 81 3.841 -0.604 -4.361 1.00 0.00 C ATOM 1388 O LEU A 81 4.415 -1.345 -5.158 1.00 0.00 O ATOM 1389 CB LEU A 81 3.071 -2.160 -2.551 1.00 0.00 C ATOM 1390 CG LEU A 81 4.144 -1.719 -1.547 1.00 0.00 C ATOM 1391 CD1 LEU A 81 5.515 -1.685 -2.206 1.00 0.00 C ATOM 1392 CD2 LEU A 81 3.803 -0.361 -0.949 1.00 0.00 C ATOM 0 H LEU A 81 1.964 -2.386 -5.080 1.00 0.00 H new ATOM 0 HA LEU A 81 2.201 -0.253 -3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.192 -2.488 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.445 -3.027 -3.096 1.00 0.00 H new ATOM 0 HG LEU A 81 4.170 -2.449 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.261 -1.370 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.766 -2.679 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.501 -0.981 -3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.579 -0.070 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 81 3.741 0.382 -1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.845 -0.421 -0.433 1.00 0.00 H new ATOM 1404 N GLY A 82 4.220 0.651 -4.137 1.00 0.00 N ATOM 1405 CA GLY A 82 5.355 1.215 -4.841 1.00 0.00 C ATOM 1406 C GLY A 82 6.130 2.207 -3.995 1.00 0.00 C ATOM 1407 O GLY A 82 5.835 2.389 -2.813 1.00 0.00 O ATOM 0 H GLY A 82 3.762 1.285 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.021 0.410 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.007 1.710 -5.747 1.00 0.00 H new ATOM 1411 N SER A 83 7.124 2.849 -4.600 1.00 0.00 N ATOM 1412 CA SER A 83 7.945 3.828 -3.898 1.00 0.00 C ATOM 1413 C SER A 83 7.675 5.236 -4.411 1.00 0.00 C ATOM 1414 O SER A 83 6.928 5.427 -5.371 1.00 0.00 O ATOM 1415 CB SER A 83 9.428 3.488 -4.058 1.00 0.00 C ATOM 1416 OG SER A 83 9.790 2.385 -3.246 1.00 0.00 O ATOM 0 H SER A 83 7.381 2.708 -5.577 1.00 0.00 H new ATOM 0 HA SER A 83 7.683 3.793 -2.841 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.641 3.260 -5.102 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.034 4.354 -3.791 1.00 0.00 H new ATOM 0 HG SER A 83 9.745 2.645 -2.302 1.00 0.00 H new ATOM 1422 N HIS A 84 8.286 6.218 -3.762 1.00 0.00 N ATOM 1423 CA HIS A 84 8.114 7.612 -4.145 1.00 0.00 C ATOM 1424 C HIS A 84 8.739 7.885 -5.515 1.00 0.00 C ATOM 1425 O HIS A 84 8.334 8.810 -6.219 1.00 0.00 O ATOM 1426 CB HIS A 84 8.718 8.528 -3.071 1.00 0.00 C ATOM 1427 CG HIS A 84 10.014 9.176 -3.456 1.00 0.00 C ATOM 1428 ND1 HIS A 84 11.236 8.773 -2.959 1.00 0.00 N ATOM 1429 CD2 HIS A 84 10.274 10.205 -4.298 1.00 0.00 C ATOM 1430 CE1 HIS A 84 12.189 9.525 -3.476 1.00 0.00 C ATOM 1431 NE2 HIS A 84 11.633 10.402 -4.292 1.00 0.00 N ATOM 0 H HIS A 84 8.907 6.074 -2.966 1.00 0.00 H new ATOM 0 HA HIS A 84 7.048 7.824 -4.223 1.00 0.00 H new ATOM 0 HB2 HIS A 84 7.995 9.308 -2.830 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.874 7.946 -2.163 1.00 0.00 H new ATOM 0 HD2 HIS A 84 9.548 10.766 -4.868 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.245 9.438 -3.267 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.132 11.110 -4.830 1.00 0.00 H new ATOM 1440 N SER A 85 9.727 7.075 -5.884 1.00 0.00 N ATOM 1441 CA SER A 85 10.404 7.229 -7.166 1.00 0.00 C ATOM 1442 C SER A 85 9.673 6.471 -8.274 1.00 0.00 C ATOM 1443 O SER A 85 9.909 6.708 -9.458 1.00 0.00 O ATOM 1444 CB SER A 85 11.848 6.735 -7.065 1.00 0.00 C ATOM 1445 OG SER A 85 12.597 7.526 -6.158 1.00 0.00 O ATOM 0 H SER A 85 10.076 6.305 -5.313 1.00 0.00 H new ATOM 0 HA SER A 85 10.402 8.289 -7.419 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.858 5.695 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.315 6.765 -8.049 1.00 0.00 H new ATOM 0 HG SER A 85 13.516 7.188 -6.111 1.00 0.00 H new ATOM 1451 N GLU A 86 8.785 5.559 -7.884 1.00 0.00 N ATOM 1452 CA GLU A 86 8.028 4.771 -8.848 1.00 0.00 C ATOM 1453 C GLU A 86 6.760 5.503 -9.278 1.00 0.00 C ATOM 1454 O GLU A 86 6.646 5.946 -10.420 1.00 0.00 O ATOM 1455 CB GLU A 86 7.666 3.409 -8.251 1.00 0.00 C ATOM 1456 CG GLU A 86 8.875 2.571 -7.869 1.00 0.00 C ATOM 1457 CD GLU A 86 9.314 1.641 -8.982 1.00 0.00 C ATOM 1458 OE1 GLU A 86 9.052 1.961 -10.161 1.00 0.00 O ATOM 1459 OE2 GLU A 86 9.919 0.592 -8.675 1.00 0.00 O ATOM 0 H GLU A 86 8.574 5.349 -6.908 1.00 0.00 H new ATOM 0 HA GLU A 86 8.654 4.622 -9.728 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.047 3.562 -7.367 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.063 2.855 -8.971 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.701 3.231 -7.605 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.640 1.984 -6.981 1.00 0.00 H new ATOM 1466 N LEU A 87 5.811 5.625 -8.356 1.00 0.00 N ATOM 1467 CA LEU A 87 4.551 6.303 -8.640 1.00 0.00 C ATOM 1468 C LEU A 87 4.782 7.774 -8.971 1.00 0.00 C ATOM 1469 O LEU A 87 4.160 8.320 -9.882 1.00 0.00 O ATOM 1470 CB LEU A 87 3.602 6.179 -7.446 1.00 0.00 C ATOM 1471 CG LEU A 87 3.060 4.772 -7.192 1.00 0.00 C ATOM 1472 CD1 LEU A 87 4.098 3.922 -6.474 1.00 0.00 C ATOM 1473 CD2 LEU A 87 1.771 4.836 -6.387 1.00 0.00 C ATOM 0 H LEU A 87 5.890 5.263 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 87 4.099 5.824 -9.508 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.123 6.518 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.760 6.854 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 87 2.842 4.307 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.695 2.924 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.996 3.850 -7.087 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.347 4.383 -5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.399 3.826 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.964 5.320 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.025 5.408 -6.939 1.00 0.00 H new ATOM 1485 N PHE A 88 5.680 8.410 -8.226 1.00 0.00 N ATOM 1486 CA PHE A 88 5.992 9.818 -8.443 1.00 0.00 C ATOM 1487 C PHE A 88 7.338 9.977 -9.143 1.00 0.00 C ATOM 1488 O PHE A 88 7.374 10.617 -10.215 1.00 0.00 O ATOM 1489 CB PHE A 88 6.006 10.569 -7.110 1.00 0.00 C ATOM 1490 CG PHE A 88 4.646 11.025 -6.663 1.00 0.00 C ATOM 1491 CD1 PHE A 88 4.119 12.222 -7.117 1.00 0.00 C ATOM 1492 CD2 PHE A 88 3.898 10.255 -5.787 1.00 0.00 C ATOM 1493 CE1 PHE A 88 2.868 12.645 -6.707 1.00 0.00 C ATOM 1494 CE2 PHE A 88 2.646 10.672 -5.374 1.00 0.00 C ATOM 1495 CZ PHE A 88 2.132 11.869 -5.833 1.00 0.00 C ATOM 1496 OXT PHE A 88 8.344 9.460 -8.614 1.00 0.00 O ATOM 0 H PHE A 88 6.204 7.973 -7.468 1.00 0.00 H new ATOM 0 HA PHE A 88 5.218 10.241 -9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.434 9.923 -6.343 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.660 11.436 -7.198 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.692 12.833 -7.799 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.297 9.320 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.467 13.580 -7.069 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.071 10.062 -4.693 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.156 12.198 -5.509 1.00 0.00 H new