USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 70 HIS : no HE2:sc= -0.137 K(o=-0.78,f=-7.4!) USER MOD Set 1.2: A 95 HIS : no HE2:sc= -0.644 K(o=-0.78,f=-2.1) USER MOD Set 2.1: A 1 SER N :NH3+ 135:sc= 0.444 (180deg=0.027) USER MOD Set 2.2: A 86 MET CE :methyl -166:sc= -0.192 (180deg=-0.486) USER MOD Set 3.1: A 74 MET CE :methyl -130:sc= -0.366 (180deg=-2.96) USER MOD Set 3.2: A 78 LYS NZ :NH3+ -177:sc= 1.97 (180deg=1.86) USER MOD Set 4.1: A 35 ASN : amide:sc= 1.04 K(o=2.3,f=-5.9) USER MOD Set 4.2: A 38 LYS NZ :NH3+ -167:sc= 1.26 (180deg=0) USER MOD Set 5.1: A 7 ASN : amide:sc= 0.376 K(o=-0.026,f=-0.83) USER MOD Set 5.2: A 11 ASN : amide:sc= 0.464 K(o=-0.026,f=-0.83) USER MOD Set 5.3: A 80 HIS : no HE2:sc= -0.866 K(o=-0.026,f=-5.5!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -1.97! K(o=-2!,f=-0.55) USER MOD Single : A 5 MET CE :methyl -125:sc= -0.0941 (180deg=-0.274) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 175:sc= 2.19 (180deg=2.06) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -168:sc= -0.584 (180deg=-0.817) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.757 K(o=0.76,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -29:sc= 0.99 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0816 X(o=-0.082,f=-0.32) USER MOD Single : A 48 THR OG1 : rot -66:sc= 0.541 USER MOD Single : A 53 MET CE :methyl -159:sc= -0.0114 (180deg=-0.308) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00439 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.054) USER MOD Single : A 60 ASN : amide:sc= -0.46 X(o=-0.46,f=-0.76) USER MOD Single : A 61 MET CE :methyl 180:sc= -0.0399 (180deg=-0.0399) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 HIS : no HD1:sc= -0.0383 K(o=-0.038,f=-2.7) USER MOD Single : A 72 ASN : amide:sc= 0.0722 K(o=0.072,f=-0.5) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.51 K(o=-1.5,f=-1) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= -0.094 (180deg=-0.094) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc=-0.00279 USER MOD Single : A 104 ASN : amide:sc= -1.04 K(o=-1,f=-0.31) USER MOD Single : A 107 LYS NZ :NH3+ -109:sc= 1.35 (180deg=-0.978) USER MOD Single : A 111 THR OG1 : rot 84:sc= 1.14 USER MOD Single : A 116 THR OG1 : rot 58:sc= 0.947 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= -0.0937 X(o=-0.094,f=-0.54) USER MOD Single : A 124 LYS NZ :NH3+ -141:sc= 0.708 (180deg=-0.0273) USER MOD Single : A 126 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.989 -6.912 2.282 1.00 0.00 N ATOM 2 CA SER A 1 13.954 -8.375 2.387 1.00 0.00 C ATOM 3 C SER A 1 12.548 -8.858 2.789 1.00 0.00 C ATOM 4 O SER A 1 12.110 -8.480 3.868 1.00 0.00 O ATOM 5 CB SER A 1 15.009 -8.787 3.410 1.00 0.00 C ATOM 6 OG SER A 1 16.295 -8.338 3.010 1.00 0.00 O ATOM 0 H1 SER A 1 14.844 -6.551 2.751 1.00 0.00 H new ATOM 0 H2 SER A 1 14.002 -6.636 1.279 1.00 0.00 H new ATOM 0 H3 SER A 1 13.146 -6.511 2.741 1.00 0.00 H new ATOM 0 HA SER A 1 14.175 -8.838 1.425 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.760 -8.370 4.386 1.00 0.00 H new ATOM 0 HB3 SER A 1 15.014 -9.872 3.519 1.00 0.00 H new ATOM 0 HG SER A 1 16.959 -8.609 3.678 1.00 0.00 H new ATOM 12 N GLN A 2 11.755 -9.504 1.913 1.00 0.00 N ATOM 13 CA GLN A 2 10.590 -10.390 2.151 1.00 0.00 C ATOM 14 C GLN A 2 9.888 -10.238 3.507 1.00 0.00 C ATOM 15 O GLN A 2 8.803 -9.674 3.594 1.00 0.00 O ATOM 16 CB GLN A 2 10.770 -11.875 1.746 1.00 0.00 C ATOM 17 CG GLN A 2 9.443 -12.440 1.161 1.00 0.00 C ATOM 18 CD GLN A 2 9.070 -13.894 1.488 1.00 0.00 C ATOM 19 OE1 GLN A 2 9.765 -14.637 2.183 1.00 0.00 O ATOM 20 NE2 GLN A 2 7.916 -14.346 1.022 1.00 0.00 N ATOM 0 H GLN A 2 11.930 -9.410 0.913 1.00 0.00 H new ATOM 0 HA GLN A 2 9.890 -9.978 1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.567 -11.964 1.008 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.072 -12.462 2.614 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.629 -11.802 1.504 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.489 -12.343 0.076 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.328 -13.744 0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.615 -15.296 1.240 1.00 0.00 H new ATOM 29 N GLU A 3 10.498 -10.780 4.563 1.00 0.00 N ATOM 30 CA GLU A 3 10.007 -10.805 5.940 1.00 0.00 C ATOM 31 C GLU A 3 9.639 -9.389 6.402 1.00 0.00 C ATOM 32 O GLU A 3 8.556 -9.147 6.942 1.00 0.00 O ATOM 33 CB GLU A 3 11.128 -11.415 6.806 1.00 0.00 C ATOM 34 CG GLU A 3 10.683 -12.210 8.033 1.00 0.00 C ATOM 35 CD GLU A 3 11.848 -13.078 8.522 1.00 0.00 C ATOM 36 OE1 GLU A 3 12.759 -12.551 9.201 1.00 0.00 O ATOM 37 OE2 GLU A 3 11.892 -14.290 8.190 1.00 0.00 O ATOM 0 H GLU A 3 11.403 -11.241 4.473 1.00 0.00 H new ATOM 0 HA GLU A 3 9.101 -11.405 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.729 -12.069 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.779 -10.607 7.140 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.362 -11.532 8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 3 9.827 -12.837 7.784 1.00 0.00 H new ATOM 44 N VAL A 4 10.530 -8.433 6.151 1.00 0.00 N ATOM 45 CA VAL A 4 10.322 -7.022 6.421 1.00 0.00 C ATOM 46 C VAL A 4 9.268 -6.441 5.471 1.00 0.00 C ATOM 47 O VAL A 4 8.514 -5.568 5.884 1.00 0.00 O ATOM 48 CB VAL A 4 11.656 -6.262 6.282 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.479 -4.754 6.505 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.767 -6.769 7.212 1.00 0.00 C ATOM 0 H VAL A 4 11.443 -8.630 5.742 1.00 0.00 H new ATOM 0 HA VAL A 4 9.956 -6.908 7.441 1.00 0.00 H new ATOM 0 HB VAL A 4 11.969 -6.456 5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.442 -4.255 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.781 -4.357 5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.088 -4.578 7.507 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.671 -6.182 7.052 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.448 -6.668 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.972 -7.818 6.996 1.00 0.00 H new ATOM 60 N MET A 5 9.178 -6.897 4.216 1.00 0.00 N ATOM 61 CA MET A 5 8.145 -6.444 3.282 1.00 0.00 C ATOM 62 C MET A 5 6.764 -6.777 3.862 1.00 0.00 C ATOM 63 O MET A 5 5.891 -5.913 3.948 1.00 0.00 O ATOM 64 CB MET A 5 8.350 -7.092 1.899 1.00 0.00 C ATOM 65 CG MET A 5 7.990 -6.184 0.720 1.00 0.00 C ATOM 66 SD MET A 5 6.244 -5.734 0.544 1.00 0.00 S ATOM 67 CE MET A 5 6.218 -4.096 1.309 1.00 0.00 C ATOM 0 H MET A 5 9.817 -7.588 3.822 1.00 0.00 H new ATOM 0 HA MET A 5 8.215 -5.365 3.147 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.392 -7.396 1.804 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.747 -7.998 1.842 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.571 -5.266 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.309 -6.676 -0.199 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.469 -4.076 2.101 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.199 -3.876 1.731 1.00 0.00 H new ATOM 0 HE3 MET A 5 5.970 -3.347 0.557 1.00 0.00 H new ATOM 77 N LYS A 6 6.586 -8.020 4.319 1.00 0.00 N ATOM 78 CA LYS A 6 5.364 -8.475 4.967 1.00 0.00 C ATOM 79 C LYS A 6 5.082 -7.612 6.188 1.00 0.00 C ATOM 80 O LYS A 6 3.990 -7.069 6.299 1.00 0.00 O ATOM 81 CB LYS A 6 5.493 -9.966 5.309 1.00 0.00 C ATOM 82 CG LYS A 6 4.123 -10.645 5.466 1.00 0.00 C ATOM 83 CD LYS A 6 4.332 -12.161 5.504 1.00 0.00 C ATOM 84 CE LYS A 6 3.046 -12.975 5.337 1.00 0.00 C ATOM 85 NZ LYS A 6 2.245 -13.094 6.572 1.00 0.00 N ATOM 0 H LYS A 6 7.300 -8.745 4.246 1.00 0.00 H new ATOM 0 HA LYS A 6 4.511 -8.369 4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.059 -10.469 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.060 -10.078 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.636 -10.307 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.469 -10.374 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.031 -12.440 4.715 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.798 -12.429 6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.434 -12.513 4.562 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.304 -13.974 4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.392 -13.657 6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.810 -13.562 7.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.967 -12.146 6.898 1.00 0.00 H new ATOM 99 N ASN A 7 6.062 -7.437 7.077 1.00 0.00 N ATOM 100 CA ASN A 7 5.907 -6.615 8.275 1.00 0.00 C ATOM 101 C ASN A 7 5.538 -5.169 7.950 1.00 0.00 C ATOM 102 O ASN A 7 4.710 -4.570 8.630 1.00 0.00 O ATOM 103 CB ASN A 7 7.208 -6.596 9.074 1.00 0.00 C ATOM 104 CG ASN A 7 6.987 -5.827 10.373 1.00 0.00 C ATOM 105 OD1 ASN A 7 5.923 -5.904 10.982 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.951 -5.041 10.799 1.00 0.00 N ATOM 0 H ASN A 7 6.985 -7.862 6.985 1.00 0.00 H new ATOM 0 HA ASN A 7 5.097 -7.063 8.851 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.531 -7.614 9.291 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.001 -6.128 8.490 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.820 -4.486 11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.830 -4.986 10.284 1.00 0.00 H new ATOM 113 N LEU A 8 6.141 -4.580 6.922 1.00 0.00 N ATOM 114 CA LEU A 8 5.833 -3.226 6.487 1.00 0.00 C ATOM 115 C LEU A 8 4.368 -3.150 6.085 1.00 0.00 C ATOM 116 O LEU A 8 3.641 -2.300 6.591 1.00 0.00 O ATOM 117 CB LEU A 8 6.736 -2.820 5.316 1.00 0.00 C ATOM 118 CG LEU A 8 8.109 -2.288 5.749 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.071 -2.282 4.556 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.980 -0.855 6.272 1.00 0.00 C ATOM 0 H LEU A 8 6.863 -5.035 6.364 1.00 0.00 H new ATOM 0 HA LEU A 8 6.016 -2.533 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.880 -3.682 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.230 -2.055 4.727 1.00 0.00 H new ATOM 0 HG LEU A 8 8.493 -2.937 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.042 -1.903 4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.185 -3.297 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.671 -1.642 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.961 -0.489 6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.582 -0.215 5.485 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.306 -0.839 7.128 1.00 0.00 H new ATOM 132 N SER A 9 3.921 -4.070 5.231 1.00 0.00 N ATOM 133 CA SER A 9 2.531 -4.213 4.820 1.00 0.00 C ATOM 134 C SER A 9 1.609 -4.456 6.035 1.00 0.00 C ATOM 135 O SER A 9 0.441 -4.062 6.021 1.00 0.00 O ATOM 136 CB SER A 9 2.509 -5.354 3.788 1.00 0.00 C ATOM 137 OG SER A 9 1.242 -5.611 3.216 1.00 0.00 O ATOM 0 H SER A 9 4.537 -4.756 4.795 1.00 0.00 H new ATOM 0 HA SER A 9 2.141 -3.302 4.367 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.211 -5.116 2.989 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.868 -6.265 4.267 1.00 0.00 H new ATOM 0 HG SER A 9 1.317 -6.346 2.573 1.00 0.00 H new ATOM 143 N LEU A 10 2.113 -5.058 7.115 1.00 0.00 N ATOM 144 CA LEU A 10 1.378 -5.480 8.296 1.00 0.00 C ATOM 145 C LEU A 10 1.152 -4.294 9.209 1.00 0.00 C ATOM 146 O LEU A 10 0.046 -4.064 9.690 1.00 0.00 O ATOM 147 CB LEU A 10 2.187 -6.591 8.983 1.00 0.00 C ATOM 148 CG LEU A 10 1.407 -7.335 10.069 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.740 -8.826 9.979 1.00 0.00 C ATOM 150 CD2 LEU A 10 1.716 -6.768 11.462 1.00 0.00 C ATOM 0 H LEU A 10 3.107 -5.274 7.186 1.00 0.00 H new ATOM 0 HA LEU A 10 0.395 -5.870 8.031 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.518 -7.307 8.230 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.083 -6.156 9.425 1.00 0.00 H new ATOM 0 HG LEU A 10 0.337 -7.198 9.909 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.190 -9.369 10.748 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.457 -9.203 8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.810 -8.969 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.147 -7.317 12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.781 -6.870 11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.439 -5.714 11.496 1.00 0.00 H new ATOM 162 N ASN A 11 2.215 -3.530 9.439 1.00 0.00 N ATOM 163 CA ASN A 11 2.202 -2.390 10.332 1.00 0.00 C ATOM 164 C ASN A 11 1.655 -1.145 9.655 1.00 0.00 C ATOM 165 O ASN A 11 1.069 -0.293 10.329 1.00 0.00 O ATOM 166 CB ASN A 11 3.604 -2.145 10.884 1.00 0.00 C ATOM 167 CG ASN A 11 3.760 -2.801 12.242 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.358 -2.235 13.259 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.271 -4.018 12.269 1.00 0.00 N ATOM 0 H ASN A 11 3.121 -3.693 9.000 1.00 0.00 H new ATOM 0 HA ASN A 11 1.531 -2.618 11.160 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.348 -2.542 10.194 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.787 -1.074 10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.343 -4.521 13.153 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.594 -4.455 11.406 1.00 0.00 H new ATOM 176 N PHE A 12 1.786 -1.054 8.329 1.00 0.00 N ATOM 177 CA PHE A 12 0.944 -0.203 7.505 1.00 0.00 C ATOM 178 C PHE A 12 -0.505 -0.579 7.796 1.00 0.00 C ATOM 179 O PHE A 12 -1.287 0.271 8.222 1.00 0.00 O ATOM 180 CB PHE A 12 1.293 -0.376 6.017 1.00 0.00 C ATOM 181 CG PHE A 12 0.273 0.187 5.039 1.00 0.00 C ATOM 182 CD1 PHE A 12 -0.836 -0.590 4.645 1.00 0.00 C ATOM 183 CD2 PHE A 12 0.434 1.474 4.495 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.799 -0.063 3.772 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.547 2.014 3.649 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.662 1.246 3.285 1.00 0.00 C ATOM 0 H PHE A 12 2.486 -1.575 7.800 1.00 0.00 H new ATOM 0 HA PHE A 12 1.104 0.850 7.739 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.254 0.102 5.829 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.420 -1.439 5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.945 -1.598 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.317 2.050 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.645 -0.664 3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.443 3.023 3.278 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.414 1.661 2.631 1.00 0.00 H new ATOM 196 N GLY A 13 -0.844 -1.859 7.648 1.00 0.00 N ATOM 197 CA GLY A 13 -2.205 -2.342 7.736 1.00 0.00 C ATOM 198 C GLY A 13 -2.682 -2.595 9.164 1.00 0.00 C ATOM 199 O GLY A 13 -3.233 -3.662 9.435 1.00 0.00 O ATOM 0 H GLY A 13 -0.163 -2.595 7.461 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.868 -1.617 7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.289 -3.267 7.166 1.00 0.00 H new ATOM 203 N LYS A 14 -2.456 -1.653 10.089 1.00 0.00 N ATOM 204 CA LYS A 14 -2.968 -1.723 11.460 1.00 0.00 C ATOM 205 C LYS A 14 -4.205 -0.858 11.686 1.00 0.00 C ATOM 206 O LYS A 14 -5.141 -1.368 12.299 1.00 0.00 O ATOM 207 CB LYS A 14 -1.851 -1.454 12.475 1.00 0.00 C ATOM 208 CG LYS A 14 -1.091 -2.771 12.756 1.00 0.00 C ATOM 209 CD LYS A 14 -0.440 -2.804 14.138 1.00 0.00 C ATOM 210 CE LYS A 14 0.295 -4.136 14.383 1.00 0.00 C ATOM 211 NZ LYS A 14 -0.417 -5.061 15.299 1.00 0.00 N ATOM 0 H LYS A 14 -1.907 -0.814 9.903 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.314 -2.744 11.622 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.165 -0.700 12.088 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.271 -1.058 13.400 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.783 -3.609 12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.323 -2.909 11.996 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.263 -1.977 14.230 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.202 -2.661 14.904 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.448 -4.635 13.426 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.282 -3.924 14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.139 -5.932 15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.541 -4.605 16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.349 -5.295 14.901 1.00 0.00 H new ATOM 225 N ALA A 15 -4.293 0.373 11.161 1.00 0.00 N ATOM 226 CA ALA A 15 -5.479 1.221 11.351 1.00 0.00 C ATOM 227 C ALA A 15 -6.670 0.809 10.454 1.00 0.00 C ATOM 228 O ALA A 15 -7.464 1.667 10.068 1.00 0.00 O ATOM 229 CB ALA A 15 -5.151 2.729 11.226 1.00 0.00 C ATOM 0 H ALA A 15 -3.557 0.804 10.601 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.802 1.051 12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.060 3.312 11.374 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.415 3.005 11.981 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.747 2.932 10.234 1.00 0.00 H new ATOM 235 N LEU A 16 -6.787 -0.465 10.055 1.00 0.00 N ATOM 236 CA LEU A 16 -7.776 -0.927 9.082 1.00 0.00 C ATOM 237 C LEU A 16 -9.186 -0.645 9.561 1.00 0.00 C ATOM 238 O LEU A 16 -9.957 -0.032 8.837 1.00 0.00 O ATOM 239 CB LEU A 16 -7.646 -2.442 8.822 1.00 0.00 C ATOM 240 CG LEU A 16 -8.638 -2.943 7.751 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.436 -2.302 6.374 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.593 -4.466 7.622 1.00 0.00 C ATOM 0 H LEU A 16 -6.187 -1.211 10.406 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.583 -0.381 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.628 -2.667 8.504 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.816 -2.983 9.753 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.621 -2.633 8.105 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.169 -2.704 5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.563 -1.222 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.432 -2.523 6.013 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.303 -4.788 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.588 -4.777 7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.856 -4.920 8.577 1.00 0.00 H new ATOM 254 N ASP A 17 -9.538 -1.141 10.741 1.00 0.00 N ATOM 255 CA ASP A 17 -10.890 -1.087 11.283 1.00 0.00 C ATOM 256 C ASP A 17 -11.314 0.359 11.491 1.00 0.00 C ATOM 257 O ASP A 17 -12.445 0.716 11.187 1.00 0.00 O ATOM 258 CB ASP A 17 -10.909 -1.831 12.619 1.00 0.00 C ATOM 259 CG ASP A 17 -12.305 -2.339 12.934 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.785 -3.215 12.175 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.895 -1.934 13.953 1.00 0.00 O ATOM 0 H ASP A 17 -8.875 -1.603 11.363 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.585 -1.554 10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.212 -2.668 12.584 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.571 -1.167 13.415 1.00 0.00 H new ATOM 266 N GLU A 18 -10.371 1.210 11.896 1.00 0.00 N ATOM 267 CA GLU A 18 -10.576 2.650 11.952 1.00 0.00 C ATOM 268 C GLU A 18 -10.996 3.151 10.574 1.00 0.00 C ATOM 269 O GLU A 18 -12.086 3.690 10.418 1.00 0.00 O ATOM 270 CB GLU A 18 -9.324 3.377 12.445 1.00 0.00 C ATOM 271 CG GLU A 18 -9.059 3.119 13.925 1.00 0.00 C ATOM 272 CD GLU A 18 -10.214 3.586 14.813 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.466 4.810 14.867 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.884 2.742 15.452 1.00 0.00 O ATOM 0 H GLU A 18 -9.441 0.915 12.195 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.368 2.865 12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.463 3.053 11.861 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.437 4.448 12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.892 2.053 14.081 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.145 3.632 14.223 1.00 0.00 H new ATOM 281 N CYS A 19 -10.156 2.924 9.564 1.00 0.00 N ATOM 282 CA CYS A 19 -10.422 3.338 8.195 1.00 0.00 C ATOM 283 C CYS A 19 -11.703 2.715 7.621 1.00 0.00 C ATOM 284 O CYS A 19 -12.355 3.321 6.770 1.00 0.00 O ATOM 285 CB CYS A 19 -9.206 2.975 7.336 1.00 0.00 C ATOM 286 SG CYS A 19 -7.823 4.101 7.590 1.00 0.00 S ATOM 0 H CYS A 19 -9.264 2.442 9.679 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.587 4.415 8.187 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.890 1.958 7.570 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.492 2.986 6.284 1.00 0.00 H new ATOM 291 N LYS A 20 -12.088 1.518 8.069 1.00 0.00 N ATOM 292 CA LYS A 20 -13.328 0.877 7.711 1.00 0.00 C ATOM 293 C LYS A 20 -14.492 1.680 8.273 1.00 0.00 C ATOM 294 O LYS A 20 -15.374 2.061 7.506 1.00 0.00 O ATOM 295 CB LYS A 20 -13.340 -0.554 8.254 1.00 0.00 C ATOM 296 CG LYS A 20 -12.536 -1.620 7.488 1.00 0.00 C ATOM 297 CD LYS A 20 -12.352 -2.949 8.249 1.00 0.00 C ATOM 298 CE LYS A 20 -13.670 -3.350 8.900 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.568 -4.427 9.900 1.00 0.00 N ATOM 0 H LYS A 20 -11.520 0.963 8.709 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.426 0.835 6.626 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.968 -0.526 9.278 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.377 -0.886 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.036 -1.824 6.541 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.553 -1.214 7.248 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.020 -3.729 7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.577 -2.841 9.008 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.104 -2.472 9.377 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -14.363 -3.664 8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.495 -4.573 10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.266 -5.306 9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.871 -4.163 10.625 1.00 0.00 H new ATOM 313 N LYS A 21 -14.534 1.911 9.587 1.00 0.00 N ATOM 314 CA LYS A 21 -15.656 2.610 10.207 1.00 0.00 C ATOM 315 C LYS A 21 -15.716 4.064 9.740 1.00 0.00 C ATOM 316 O LYS A 21 -16.814 4.582 9.561 1.00 0.00 O ATOM 317 CB LYS A 21 -15.594 2.507 11.740 1.00 0.00 C ATOM 318 CG LYS A 21 -16.163 1.186 12.284 1.00 0.00 C ATOM 319 CD LYS A 21 -15.215 -0.017 12.197 1.00 0.00 C ATOM 320 CE LYS A 21 -15.770 -1.225 12.953 1.00 0.00 C ATOM 321 NZ LYS A 21 -16.731 -2.045 12.192 1.00 0.00 N ATOM 0 H LYS A 21 -13.804 1.624 10.239 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.578 2.124 9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.558 2.608 12.062 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.146 3.339 12.176 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.445 1.332 13.327 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.076 0.949 11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.057 -0.282 11.152 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.242 0.255 12.607 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.937 -1.858 13.259 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.255 -0.874 13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.053 -2.839 12.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.548 -1.461 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.271 -2.414 11.336 1.00 0.00 H new ATOM 335 N GLU A 22 -14.573 4.699 9.476 1.00 0.00 N ATOM 336 CA GLU A 22 -14.475 6.055 8.953 1.00 0.00 C ATOM 337 C GLU A 22 -15.209 6.253 7.634 1.00 0.00 C ATOM 338 O GLU A 22 -15.649 7.369 7.352 1.00 0.00 O ATOM 339 CB GLU A 22 -12.993 6.363 8.721 1.00 0.00 C ATOM 340 CG GLU A 22 -12.295 6.777 10.012 1.00 0.00 C ATOM 341 CD GLU A 22 -12.444 8.276 10.230 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.737 9.063 9.568 1.00 0.00 O ATOM 343 OE2 GLU A 22 -13.220 8.691 11.124 1.00 0.00 O ATOM 0 H GLU A 22 -13.662 4.266 9.627 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.938 6.719 9.683 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.499 5.484 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.898 7.160 7.984 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.722 6.235 10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.239 6.512 9.965 1.00 0.00 H new ATOM 350 N MET A 23 -15.279 5.217 6.795 1.00 0.00 N ATOM 351 CA MET A 23 -15.742 5.355 5.423 1.00 0.00 C ATOM 352 C MET A 23 -16.866 4.384 5.053 1.00 0.00 C ATOM 353 O MET A 23 -17.348 4.435 3.921 1.00 0.00 O ATOM 354 CB MET A 23 -14.529 5.223 4.496 1.00 0.00 C ATOM 355 CG MET A 23 -13.405 6.231 4.789 1.00 0.00 C ATOM 356 SD MET A 23 -12.648 6.975 3.321 1.00 0.00 S ATOM 357 CE MET A 23 -11.641 5.564 2.826 1.00 0.00 C ATOM 0 H MET A 23 -15.016 4.265 7.051 1.00 0.00 H new ATOM 0 HA MET A 23 -16.195 6.339 5.306 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.128 4.213 4.581 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.857 5.350 3.464 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.805 7.027 5.417 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.628 5.730 5.366 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.929 5.875 2.062 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.100 5.182 3.692 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.284 4.781 2.425 1.00 0.00 H new ATOM 367 N THR A 24 -17.306 3.528 5.981 1.00 0.00 N ATOM 368 CA THR A 24 -18.040 2.298 5.691 1.00 0.00 C ATOM 369 C THR A 24 -17.295 1.493 4.621 1.00 0.00 C ATOM 370 O THR A 24 -17.645 1.539 3.436 1.00 0.00 O ATOM 371 CB THR A 24 -19.507 2.594 5.311 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.157 3.331 6.329 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.319 1.305 5.085 1.00 0.00 C ATOM 0 H THR A 24 -17.156 3.678 6.979 1.00 0.00 H new ATOM 0 HA THR A 24 -18.086 1.685 6.591 1.00 0.00 H new ATOM 0 HB THR A 24 -19.466 3.168 4.385 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.084 3.507 6.064 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.344 1.563 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.869 0.729 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.319 0.710 5.998 1.00 0.00 H new ATOM 381 N LEU A 25 -16.274 0.738 5.031 1.00 0.00 N ATOM 382 CA LEU A 25 -15.596 -0.226 4.170 1.00 0.00 C ATOM 383 C LEU A 25 -15.903 -1.609 4.702 1.00 0.00 C ATOM 384 O LEU A 25 -15.886 -1.820 5.918 1.00 0.00 O ATOM 385 CB LEU A 25 -14.079 -0.005 4.106 1.00 0.00 C ATOM 386 CG LEU A 25 -13.671 1.460 3.876 1.00 0.00 C ATOM 387 CD1 LEU A 25 -12.152 1.585 3.800 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.284 2.025 2.589 1.00 0.00 C ATOM 0 H LEU A 25 -15.894 0.780 5.977 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.960 -0.102 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.631 -0.355 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.666 -0.617 3.304 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.049 2.034 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.880 2.628 3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.711 1.237 4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.778 0.979 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.972 3.062 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.945 1.437 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.371 1.978 2.653 1.00 0.00 H new ATOM 400 N THR A 26 -16.206 -2.534 3.801 1.00 0.00 N ATOM 401 CA THR A 26 -16.628 -3.880 4.160 1.00 0.00 C ATOM 402 C THR A 26 -15.491 -4.651 4.824 1.00 0.00 C ATOM 403 O THR A 26 -14.327 -4.414 4.509 1.00 0.00 O ATOM 404 CB THR A 26 -17.117 -4.577 2.887 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.127 -4.576 1.869 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.347 -3.838 2.370 1.00 0.00 C ATOM 0 H THR A 26 -16.165 -2.370 2.795 1.00 0.00 H new ATOM 0 HA THR A 26 -17.439 -3.840 4.888 1.00 0.00 H new ATOM 0 HB THR A 26 -17.348 -5.613 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.475 -5.031 1.074 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.708 -4.322 1.463 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.130 -3.859 3.128 1.00 0.00 H new ATOM 0 HG23 THR A 26 -18.084 -2.804 2.149 1.00 0.00 H new ATOM 414 N ASP A 27 -15.818 -5.644 5.648 1.00 0.00 N ATOM 415 CA ASP A 27 -14.833 -6.498 6.300 1.00 0.00 C ATOM 416 C ASP A 27 -14.162 -7.417 5.284 1.00 0.00 C ATOM 417 O ASP A 27 -13.043 -7.852 5.519 1.00 0.00 O ATOM 418 CB ASP A 27 -15.514 -7.315 7.401 1.00 0.00 C ATOM 419 CG ASP A 27 -14.546 -7.812 8.470 1.00 0.00 C ATOM 420 OD1 ASP A 27 -13.839 -6.969 9.066 1.00 0.00 O ATOM 421 OD2 ASP A 27 -14.541 -9.021 8.789 1.00 0.00 O ATOM 0 H ASP A 27 -16.782 -5.879 5.883 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.060 -5.873 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.284 -6.705 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.017 -8.170 6.950 1.00 0.00 H new ATOM 426 N ALA A 28 -14.796 -7.640 4.127 1.00 0.00 N ATOM 427 CA ALA A 28 -14.309 -8.459 3.022 1.00 0.00 C ATOM 428 C ALA A 28 -12.988 -7.968 2.406 1.00 0.00 C ATOM 429 O ALA A 28 -12.398 -8.688 1.597 1.00 0.00 O ATOM 430 CB ALA A 28 -15.399 -8.494 1.945 1.00 0.00 C ATOM 0 H ALA A 28 -15.709 -7.231 3.931 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.094 -9.450 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.061 -9.101 1.105 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.309 -8.926 2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.603 -7.480 1.601 1.00 0.00 H new ATOM 436 N ILE A 29 -12.516 -6.763 2.748 1.00 0.00 N ATOM 437 CA ILE A 29 -11.172 -6.316 2.381 1.00 0.00 C ATOM 438 C ILE A 29 -10.094 -6.998 3.228 1.00 0.00 C ATOM 439 O ILE A 29 -8.937 -6.994 2.812 1.00 0.00 O ATOM 440 CB ILE A 29 -11.038 -4.781 2.450 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.161 -4.249 3.898 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.993 -4.128 1.435 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.541 -2.769 4.001 1.00 0.00 C ATOM 0 H ILE A 29 -13.051 -6.078 3.282 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.016 -6.614 1.344 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.030 -4.490 2.154 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.908 -4.841 4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.211 -4.404 4.410 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.894 -3.044 1.488 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.742 -4.467 0.430 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.020 -4.411 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.605 -2.482 5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.783 -2.163 3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.506 -2.607 3.521 1.00 0.00 H new ATOM 455 N ASN A 30 -10.440 -7.608 4.370 1.00 0.00 N ATOM 456 CA ASN A 30 -9.533 -8.458 5.118 1.00 0.00 C ATOM 457 C ASN A 30 -9.103 -9.590 4.217 1.00 0.00 C ATOM 458 O ASN A 30 -7.904 -9.786 4.080 1.00 0.00 O ATOM 459 CB ASN A 30 -10.196 -9.067 6.352 1.00 0.00 C ATOM 460 CG ASN A 30 -10.243 -8.120 7.531 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.249 -7.914 8.220 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.397 -7.538 7.772 1.00 0.00 N ATOM 0 H ASN A 30 -11.363 -7.519 4.794 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.693 -7.847 5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.211 -9.372 6.098 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.655 -9.969 6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.488 -6.890 8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.201 -7.735 7.177 1.00 0.00 H new ATOM 469 N GLU A 31 -10.044 -10.308 3.594 1.00 0.00 N ATOM 470 CA GLU A 31 -9.741 -11.378 2.656 1.00 0.00 C ATOM 471 C GLU A 31 -8.790 -10.903 1.562 1.00 0.00 C ATOM 472 O GLU A 31 -7.886 -11.647 1.198 1.00 0.00 O ATOM 473 CB GLU A 31 -11.027 -11.902 2.000 1.00 0.00 C ATOM 474 CG GLU A 31 -11.661 -13.096 2.713 1.00 0.00 C ATOM 475 CD GLU A 31 -12.454 -12.783 3.984 1.00 0.00 C ATOM 476 OE1 GLU A 31 -12.583 -11.614 4.397 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.972 -13.768 4.570 1.00 0.00 O ATOM 0 H GLU A 31 -11.043 -10.156 3.732 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.263 -12.177 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.755 -11.092 1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.806 -12.185 0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.325 -13.601 2.011 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.870 -13.802 2.968 1.00 0.00 H new ATOM 484 N ASP A 32 -8.989 -9.696 1.031 1.00 0.00 N ATOM 485 CA ASP A 32 -8.123 -9.168 -0.017 1.00 0.00 C ATOM 486 C ASP A 32 -6.726 -8.883 0.527 1.00 0.00 C ATOM 487 O ASP A 32 -5.752 -9.352 -0.047 1.00 0.00 O ATOM 488 CB ASP A 32 -8.736 -7.917 -0.650 1.00 0.00 C ATOM 489 CG ASP A 32 -7.894 -7.380 -1.783 1.00 0.00 C ATOM 490 OD1 ASP A 32 -6.922 -6.648 -1.503 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.337 -7.637 -2.927 1.00 0.00 O ATOM 0 H ASP A 32 -9.742 -9.068 1.311 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.030 -9.925 -0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.734 -8.151 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.852 -7.146 0.112 1.00 0.00 H new ATOM 496 N PHE A 33 -6.606 -8.184 1.659 1.00 0.00 N ATOM 497 CA PHE A 33 -5.318 -7.888 2.289 1.00 0.00 C ATOM 498 C PHE A 33 -4.591 -9.165 2.719 1.00 0.00 C ATOM 499 O PHE A 33 -3.379 -9.281 2.553 1.00 0.00 O ATOM 500 CB PHE A 33 -5.537 -6.954 3.495 1.00 0.00 C ATOM 501 CG PHE A 33 -5.764 -5.492 3.153 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.885 -4.812 2.283 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.867 -4.805 3.697 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.120 -3.468 1.947 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.110 -3.467 3.342 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.231 -2.794 2.482 1.00 0.00 C ATOM 0 H PHE A 33 -7.406 -7.805 2.167 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.684 -7.390 1.555 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.396 -7.315 4.061 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.669 -7.026 4.151 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.028 -5.327 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.527 -5.308 4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.447 -2.953 1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.977 -2.955 3.733 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.407 -1.759 2.231 1.00 0.00 H new ATOM 516 N TYR A 34 -5.323 -10.136 3.255 1.00 0.00 N ATOM 517 CA TYR A 34 -4.842 -11.440 3.661 1.00 0.00 C ATOM 518 C TYR A 34 -4.270 -12.159 2.447 1.00 0.00 C ATOM 519 O TYR A 34 -3.130 -12.627 2.465 1.00 0.00 O ATOM 520 CB TYR A 34 -6.032 -12.208 4.253 1.00 0.00 C ATOM 521 CG TYR A 34 -5.779 -13.648 4.620 1.00 0.00 C ATOM 522 CD1 TYR A 34 -4.677 -13.983 5.421 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.686 -14.644 4.215 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.502 -15.301 5.858 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.502 -15.975 4.627 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.411 -16.302 5.462 1.00 0.00 C ATOM 527 OH TYR A 34 -5.240 -17.575 5.901 1.00 0.00 O ATOM 0 H TYR A 34 -6.322 -10.022 3.425 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.052 -11.362 4.408 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.370 -11.681 5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.851 -12.176 3.535 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.963 -13.223 5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.525 -14.385 3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.670 -15.551 6.499 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.191 -16.743 4.307 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.951 -18.144 5.539 1.00 0.00 H new ATOM 537 N ASN A 35 -5.059 -12.227 1.376 1.00 0.00 N ATOM 538 CA ASN A 35 -4.716 -12.973 0.181 1.00 0.00 C ATOM 539 C ASN A 35 -3.941 -12.125 -0.827 1.00 0.00 C ATOM 540 O ASN A 35 -3.690 -12.597 -1.926 1.00 0.00 O ATOM 541 CB ASN A 35 -5.979 -13.593 -0.438 1.00 0.00 C ATOM 542 CG ASN A 35 -6.614 -14.639 0.468 1.00 0.00 C ATOM 543 OD1 ASN A 35 -5.928 -15.529 0.965 1.00 0.00 O ATOM 544 ND2 ASN A 35 -7.915 -14.574 0.686 1.00 0.00 N ATOM 0 H ASN A 35 -5.963 -11.758 1.320 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.046 -13.783 0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.704 -12.806 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.725 -14.050 -1.394 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.369 -15.271 1.277 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.466 -13.827 0.264 1.00 0.00 H new ATOM 551 N PHE A 36 -3.516 -10.909 -0.488 1.00 0.00 N ATOM 552 CA PHE A 36 -2.864 -9.951 -1.381 1.00 0.00 C ATOM 553 C PHE A 36 -1.693 -10.607 -2.129 1.00 0.00 C ATOM 554 O PHE A 36 -1.570 -10.462 -3.346 1.00 0.00 O ATOM 555 CB PHE A 36 -2.450 -8.756 -0.494 1.00 0.00 C ATOM 556 CG PHE A 36 -1.600 -7.650 -1.091 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.161 -6.725 -1.986 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.286 -7.446 -0.637 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.394 -5.660 -2.495 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.456 -6.343 -1.096 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.078 -5.463 -2.046 1.00 0.00 C ATOM 0 H PHE A 36 -3.621 -10.548 0.460 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.527 -9.601 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.363 -8.299 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.911 -9.156 0.365 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.193 -6.832 -2.287 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.155 -8.137 0.066 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.818 -4.994 -3.232 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.450 -6.172 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.514 -4.644 -2.428 1.00 0.00 H new ATOM 571 N TRP A 37 -0.896 -11.416 -1.428 1.00 0.00 N ATOM 572 CA TRP A 37 0.258 -12.135 -1.962 1.00 0.00 C ATOM 573 C TRP A 37 -0.067 -13.491 -2.621 1.00 0.00 C ATOM 574 O TRP A 37 0.837 -14.316 -2.775 1.00 0.00 O ATOM 575 CB TRP A 37 1.298 -12.274 -0.839 1.00 0.00 C ATOM 576 CG TRP A 37 1.778 -10.988 -0.230 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.799 -10.694 1.088 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.326 -9.815 -0.902 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.356 -9.444 1.277 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.757 -8.882 0.084 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.494 -9.441 -2.250 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.376 -7.669 -0.257 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.074 -8.216 -2.608 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.522 -7.337 -1.618 1.00 0.00 C ATOM 0 H TRP A 37 -1.044 -11.594 -0.435 1.00 0.00 H new ATOM 0 HA TRP A 37 0.658 -11.546 -2.787 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.871 -12.891 -0.049 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.160 -12.812 -1.233 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.436 -11.338 1.875 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.458 -8.993 2.186 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.167 -10.116 -3.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.735 -7.001 0.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.175 -7.951 -3.650 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.981 -6.400 -1.897 1.00 0.00 H new ATOM 595 N LYS A 38 -1.320 -13.782 -2.996 1.00 0.00 N ATOM 596 CA LYS A 38 -1.677 -14.992 -3.717 1.00 0.00 C ATOM 597 C LYS A 38 -1.057 -15.010 -5.101 1.00 0.00 C ATOM 598 O LYS A 38 -0.637 -13.992 -5.651 1.00 0.00 O ATOM 599 CB LYS A 38 -3.204 -15.066 -3.850 1.00 0.00 C ATOM 600 CG LYS A 38 -3.908 -16.134 -3.025 1.00 0.00 C ATOM 601 CD LYS A 38 -3.553 -16.168 -1.537 1.00 0.00 C ATOM 602 CE LYS A 38 -4.253 -17.400 -0.971 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.153 -17.549 0.491 1.00 0.00 N ATOM 0 H LYS A 38 -2.115 -13.173 -2.801 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.299 -15.849 -3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.617 -14.096 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.447 -15.231 -4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.984 -15.988 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.679 -17.109 -3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.474 -16.231 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.889 -15.261 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.307 -17.361 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.833 -18.288 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.456 -18.506 0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.168 -17.400 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.764 -16.847 0.954 1.00 0.00 H new ATOM 617 N GLU A 39 -1.117 -16.189 -5.695 1.00 0.00 N ATOM 618 CA GLU A 39 -0.400 -16.581 -6.898 1.00 0.00 C ATOM 619 C GLU A 39 -1.208 -16.395 -8.185 1.00 0.00 C ATOM 620 O GLU A 39 -0.933 -17.036 -9.199 1.00 0.00 O ATOM 621 CB GLU A 39 0.081 -18.036 -6.689 1.00 0.00 C ATOM 622 CG GLU A 39 -1.097 -19.026 -6.576 1.00 0.00 C ATOM 623 CD GLU A 39 -0.689 -20.404 -6.056 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.049 -21.132 -6.759 1.00 0.00 O ATOM 625 OE2 GLU A 39 -1.161 -20.803 -4.964 1.00 0.00 O ATOM 0 H GLU A 39 -1.701 -16.942 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 39 0.454 -15.920 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.721 -18.329 -7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.688 -18.091 -5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.852 -18.605 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.561 -19.139 -7.556 1.00 0.00 H new ATOM 632 N GLY A 40 -2.183 -15.492 -8.162 1.00 0.00 N ATOM 633 CA GLY A 40 -3.053 -15.186 -9.292 1.00 0.00 C ATOM 634 C GLY A 40 -4.285 -14.399 -8.858 1.00 0.00 C ATOM 635 O GLY A 40 -5.380 -14.614 -9.386 1.00 0.00 O ATOM 0 H GLY A 40 -2.396 -14.937 -7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.498 -14.613 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.364 -16.113 -9.773 1.00 0.00 H new ATOM 639 N TYR A 41 -4.149 -13.581 -7.813 1.00 0.00 N ATOM 640 CA TYR A 41 -5.251 -12.816 -7.247 1.00 0.00 C ATOM 641 C TYR A 41 -5.455 -11.532 -8.066 1.00 0.00 C ATOM 642 O TYR A 41 -4.492 -10.939 -8.571 1.00 0.00 O ATOM 643 CB TYR A 41 -4.928 -12.597 -5.758 1.00 0.00 C ATOM 644 CG TYR A 41 -5.989 -11.936 -4.906 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.367 -10.613 -5.166 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.605 -12.639 -3.852 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.489 -10.081 -4.523 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.668 -12.062 -3.133 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.143 -10.792 -3.510 1.00 0.00 C ATOM 650 OH TYR A 41 -9.230 -10.234 -2.919 1.00 0.00 O ATOM 0 H TYR A 41 -3.261 -13.433 -7.334 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.208 -13.335 -7.299 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.698 -13.567 -5.317 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.022 -11.995 -5.695 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.797 -10.009 -5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.259 -13.629 -3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.856 -9.107 -4.812 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.114 -12.588 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.151 -9.258 -2.944 1.00 0.00 H new ATOM 660 N GLU A 42 -6.707 -11.078 -8.184 1.00 0.00 N ATOM 661 CA GLU A 42 -7.053 -9.783 -8.739 1.00 0.00 C ATOM 662 C GLU A 42 -7.835 -8.970 -7.729 1.00 0.00 C ATOM 663 O GLU A 42 -8.825 -9.416 -7.146 1.00 0.00 O ATOM 664 CB GLU A 42 -7.903 -9.967 -9.988 1.00 0.00 C ATOM 665 CG GLU A 42 -7.025 -10.227 -11.200 1.00 0.00 C ATOM 666 CD GLU A 42 -7.796 -10.938 -12.302 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.567 -10.277 -13.036 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.613 -12.159 -12.497 1.00 0.00 O ATOM 0 H GLU A 42 -7.519 -11.619 -7.887 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.132 -9.258 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.592 -10.800 -9.846 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.509 -9.077 -10.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.635 -9.282 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.167 -10.831 -10.906 1.00 0.00 H new ATOM 675 N ILE A 43 -7.420 -7.718 -7.612 1.00 0.00 N ATOM 676 CA ILE A 43 -7.940 -6.763 -6.657 1.00 0.00 C ATOM 677 C ILE A 43 -8.879 -5.903 -7.469 1.00 0.00 C ATOM 678 O ILE A 43 -8.500 -5.376 -8.521 1.00 0.00 O ATOM 679 CB ILE A 43 -6.811 -5.981 -5.953 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.855 -6.991 -5.289 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.399 -5.010 -4.910 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.848 -6.432 -4.305 1.00 0.00 C ATOM 0 H ILE A 43 -6.685 -7.329 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.467 -7.230 -5.825 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.260 -5.386 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.456 -7.739 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.309 -7.510 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.590 -4.466 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.064 -4.303 -5.406 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.959 -5.573 -4.164 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.237 -7.243 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.208 -5.709 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.374 -5.941 -3.486 1.00 0.00 H new ATOM 694 N LYS A 44 -10.133 -5.853 -7.033 1.00 0.00 N ATOM 695 CA LYS A 44 -11.191 -5.192 -7.769 1.00 0.00 C ATOM 696 C LYS A 44 -12.164 -4.463 -6.856 1.00 0.00 C ATOM 697 O LYS A 44 -12.896 -3.601 -7.347 1.00 0.00 O ATOM 698 CB LYS A 44 -12.014 -6.233 -8.548 1.00 0.00 C ATOM 699 CG LYS A 44 -11.318 -7.150 -9.555 1.00 0.00 C ATOM 700 CD LYS A 44 -11.308 -6.529 -10.957 1.00 0.00 C ATOM 701 CE LYS A 44 -9.874 -6.460 -11.439 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.801 -5.840 -12.773 1.00 0.00 N ATOM 0 H LYS A 44 -10.440 -6.273 -6.156 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.704 -4.475 -8.430 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.510 -6.870 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.796 -5.695 -9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.295 -7.339 -9.231 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.826 -8.114 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.910 -7.127 -11.641 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.749 -5.532 -10.933 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.275 -5.885 -10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.449 -7.463 -11.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.809 -5.802 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.355 -6.404 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.187 -4.875 -12.729 1.00 0.00 H new ATOM 716 N ASN A 45 -12.235 -4.812 -5.567 1.00 0.00 N ATOM 717 CA ASN A 45 -13.062 -4.083 -4.616 1.00 0.00 C ATOM 718 C ASN A 45 -12.465 -2.696 -4.529 1.00 0.00 C ATOM 719 O ASN A 45 -11.387 -2.545 -3.958 1.00 0.00 O ATOM 720 CB ASN A 45 -13.052 -4.728 -3.216 1.00 0.00 C ATOM 721 CG ASN A 45 -14.404 -5.242 -2.785 1.00 0.00 C ATOM 722 OD1 ASN A 45 -15.413 -4.570 -2.966 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.438 -6.403 -2.165 1.00 0.00 N ATOM 0 H ASN A 45 -11.726 -5.598 -5.163 1.00 0.00 H new ATOM 0 HA ASN A 45 -14.099 -4.081 -4.951 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.339 -5.552 -3.209 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.701 -3.996 -2.489 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.324 -6.770 -1.818 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.578 -6.936 -2.032 1.00 0.00 H new ATOM 730 N ARG A 46 -13.148 -1.669 -5.038 1.00 0.00 N ATOM 731 CA ARG A 46 -12.676 -0.296 -4.883 1.00 0.00 C ATOM 732 C ARG A 46 -12.415 0.011 -3.405 1.00 0.00 C ATOM 733 O ARG A 46 -11.541 0.823 -3.083 1.00 0.00 O ATOM 734 CB ARG A 46 -13.686 0.691 -5.523 1.00 0.00 C ATOM 735 CG ARG A 46 -13.865 2.052 -4.814 1.00 0.00 C ATOM 736 CD ARG A 46 -14.380 3.151 -5.740 1.00 0.00 C ATOM 737 NE ARG A 46 -15.738 2.897 -6.228 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.876 3.329 -5.671 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.893 4.080 -4.572 1.00 0.00 N ATOM 740 NH2 ARG A 46 -18.023 3.009 -6.242 1.00 0.00 N ATOM 0 H ARG A 46 -14.022 -1.762 -5.556 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.729 -0.174 -5.408 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.374 0.880 -6.550 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.658 0.201 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.559 1.932 -3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.910 2.362 -4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.362 4.103 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.706 3.247 -6.591 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.825 2.336 -7.075 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.017 4.347 -4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.782 4.389 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -18.030 2.443 -7.091 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.902 3.328 -5.834 1.00 0.00 H new ATOM 754 N GLU A 47 -13.149 -0.649 -2.513 1.00 0.00 N ATOM 755 CA GLU A 47 -13.053 -0.493 -1.073 1.00 0.00 C ATOM 756 C GLU A 47 -11.640 -0.766 -0.543 1.00 0.00 C ATOM 757 O GLU A 47 -11.246 -0.136 0.437 1.00 0.00 O ATOM 758 CB GLU A 47 -14.125 -1.371 -0.392 1.00 0.00 C ATOM 759 CG GLU A 47 -15.521 -1.033 -0.946 1.00 0.00 C ATOM 760 CD GLU A 47 -16.671 -1.499 -0.054 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.799 -0.954 1.065 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.492 -2.328 -0.507 1.00 0.00 O ATOM 0 H GLU A 47 -13.853 -1.333 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.249 0.549 -0.822 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.904 -2.425 -0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.105 -1.211 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.595 0.046 -1.084 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.630 -1.488 -1.930 1.00 0.00 H new ATOM 769 N THR A 48 -10.845 -1.623 -1.194 1.00 0.00 N ATOM 770 CA THR A 48 -9.472 -1.882 -0.780 1.00 0.00 C ATOM 771 C THR A 48 -8.632 -0.638 -1.063 1.00 0.00 C ATOM 772 O THR A 48 -7.932 -0.139 -0.186 1.00 0.00 O ATOM 773 CB THR A 48 -8.913 -3.140 -1.463 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.670 -2.926 -2.837 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.808 -4.375 -1.347 1.00 0.00 C ATOM 0 H THR A 48 -11.138 -2.150 -2.016 1.00 0.00 H new ATOM 0 HA THR A 48 -9.439 -2.085 0.290 1.00 0.00 H new ATOM 0 HB THR A 48 -7.987 -3.334 -0.923 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.520 -2.773 -3.300 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.336 -5.215 -1.857 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.952 -4.623 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.775 -4.168 -1.806 1.00 0.00 H new ATOM 783 N GLY A 49 -8.767 -0.074 -2.265 1.00 0.00 N ATOM 784 CA GLY A 49 -8.071 1.125 -2.698 1.00 0.00 C ATOM 785 C GLY A 49 -8.312 2.300 -1.756 1.00 0.00 C ATOM 786 O GLY A 49 -7.376 3.026 -1.421 1.00 0.00 O ATOM 0 H GLY A 49 -9.384 -0.456 -2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.002 0.922 -2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.401 1.392 -3.702 1.00 0.00 H new ATOM 790 N CYS A 50 -9.560 2.495 -1.319 1.00 0.00 N ATOM 791 CA CYS A 50 -9.858 3.559 -0.369 1.00 0.00 C ATOM 792 C CYS A 50 -9.400 3.223 1.053 1.00 0.00 C ATOM 793 O CYS A 50 -8.980 4.136 1.762 1.00 0.00 O ATOM 794 CB CYS A 50 -11.330 3.986 -0.435 1.00 0.00 C ATOM 795 SG CYS A 50 -11.463 5.681 -1.066 1.00 0.00 S ATOM 0 H CYS A 50 -10.365 1.938 -1.605 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.269 4.425 -0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.885 3.305 -1.081 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.779 3.923 0.556 1.00 0.00 H new ATOM 800 N ALA A 51 -9.413 1.951 1.478 1.00 0.00 N ATOM 801 CA ALA A 51 -8.792 1.571 2.746 1.00 0.00 C ATOM 802 C ALA A 51 -7.312 1.927 2.718 1.00 0.00 C ATOM 803 O ALA A 51 -6.832 2.562 3.652 1.00 0.00 O ATOM 804 CB ALA A 51 -8.958 0.082 3.062 1.00 0.00 C ATOM 0 H ALA A 51 -9.842 1.180 0.967 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.301 2.126 3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.478 -0.144 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.019 -0.161 3.124 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.496 -0.511 2.273 1.00 0.00 H new ATOM 810 N ILE A 52 -6.607 1.545 1.647 1.00 0.00 N ATOM 811 CA ILE A 52 -5.206 1.869 1.421 1.00 0.00 C ATOM 812 C ILE A 52 -5.038 3.378 1.577 1.00 0.00 C ATOM 813 O ILE A 52 -4.274 3.779 2.442 1.00 0.00 O ATOM 814 CB ILE A 52 -4.701 1.283 0.077 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.632 -0.256 0.198 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.305 1.814 -0.292 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.395 -1.010 -1.114 1.00 0.00 C ATOM 0 H ILE A 52 -7.013 0.986 0.896 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.564 1.396 2.164 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.396 1.586 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.833 -0.513 0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.564 -0.611 0.638 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.989 1.379 -1.240 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.342 2.899 -0.386 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.594 1.541 0.488 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.364 -2.082 -0.917 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.205 -0.792 -1.810 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.447 -0.693 -1.550 1.00 0.00 H new ATOM 829 N MET A 53 -5.779 4.200 0.827 1.00 0.00 N ATOM 830 CA MET A 53 -5.631 5.655 0.878 1.00 0.00 C ATOM 831 C MET A 53 -5.803 6.200 2.303 1.00 0.00 C ATOM 832 O MET A 53 -4.974 6.984 2.765 1.00 0.00 O ATOM 833 CB MET A 53 -6.610 6.315 -0.105 1.00 0.00 C ATOM 834 CG MET A 53 -6.230 7.774 -0.384 1.00 0.00 C ATOM 835 SD MET A 53 -7.298 8.987 0.427 1.00 0.00 S ATOM 836 CE MET A 53 -8.818 8.712 -0.514 1.00 0.00 C ATOM 0 H MET A 53 -6.492 3.877 0.173 1.00 0.00 H new ATOM 0 HA MET A 53 -4.614 5.906 0.575 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.620 5.756 -1.040 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.620 6.273 0.303 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.202 7.938 -0.061 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.257 7.945 -1.460 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.461 9.588 -0.430 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.571 8.542 -1.562 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.338 7.840 -0.118 1.00 0.00 H new ATOM 846 N CYS A 54 -6.833 5.746 3.029 1.00 0.00 N ATOM 847 CA CYS A 54 -7.020 6.112 4.430 1.00 0.00 C ATOM 848 C CYS A 54 -5.796 5.719 5.257 1.00 0.00 C ATOM 849 O CYS A 54 -5.295 6.521 6.036 1.00 0.00 O ATOM 850 CB CYS A 54 -8.296 5.476 4.997 1.00 0.00 C ATOM 851 SG CYS A 54 -8.564 5.798 6.755 1.00 0.00 S ATOM 0 H CYS A 54 -7.551 5.121 2.662 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.134 7.194 4.488 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.154 5.847 4.436 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.253 4.398 4.839 1.00 0.00 H new ATOM 856 N LEU A 55 -5.289 4.496 5.107 1.00 0.00 N ATOM 857 CA LEU A 55 -4.148 4.024 5.879 1.00 0.00 C ATOM 858 C LEU A 55 -2.916 4.878 5.562 1.00 0.00 C ATOM 859 O LEU A 55 -2.237 5.297 6.495 1.00 0.00 O ATOM 860 CB LEU A 55 -3.876 2.539 5.580 1.00 0.00 C ATOM 861 CG LEU A 55 -4.983 1.591 6.080 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.006 0.294 5.269 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.777 1.259 7.558 1.00 0.00 C ATOM 0 H LEU A 55 -5.658 3.810 4.449 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.373 4.119 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.759 2.410 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.930 2.253 6.040 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.937 2.103 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.797 -0.356 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.192 0.524 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.045 -0.212 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.568 0.589 7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.810 0.774 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.806 2.177 8.145 1.00 0.00 H new ATOM 875 N SER A 56 -2.632 5.185 4.290 1.00 0.00 N ATOM 876 CA SER A 56 -1.579 6.114 3.880 1.00 0.00 C ATOM 877 C SER A 56 -1.747 7.462 4.602 1.00 0.00 C ATOM 878 O SER A 56 -0.799 7.943 5.221 1.00 0.00 O ATOM 879 CB SER A 56 -1.576 6.296 2.351 1.00 0.00 C ATOM 880 OG SER A 56 -1.825 5.081 1.663 1.00 0.00 O ATOM 0 H SER A 56 -3.141 4.784 3.502 1.00 0.00 H new ATOM 0 HA SER A 56 -0.614 5.695 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.333 7.030 2.073 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.612 6.698 2.037 1.00 0.00 H new ATOM 0 HG SER A 56 -1.816 5.244 0.697 1.00 0.00 H new ATOM 886 N THR A 57 -2.944 8.055 4.611 1.00 0.00 N ATOM 887 CA THR A 57 -3.228 9.233 5.425 1.00 0.00 C ATOM 888 C THR A 57 -2.836 8.989 6.889 1.00 0.00 C ATOM 889 O THR A 57 -2.062 9.758 7.453 1.00 0.00 O ATOM 890 CB THR A 57 -4.710 9.619 5.293 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.916 10.222 4.039 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.131 10.552 6.429 1.00 0.00 C ATOM 0 H THR A 57 -3.737 7.732 4.057 1.00 0.00 H new ATOM 0 HA THR A 57 -2.628 10.068 5.063 1.00 0.00 H new ATOM 0 HB THR A 57 -5.327 8.723 5.364 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.860 10.470 3.946 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.183 10.812 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.982 10.051 7.385 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.528 11.459 6.397 1.00 0.00 H new ATOM 900 N LYS A 58 -3.360 7.938 7.528 1.00 0.00 N ATOM 901 CA LYS A 58 -3.181 7.701 8.963 1.00 0.00 C ATOM 902 C LYS A 58 -1.710 7.500 9.309 1.00 0.00 C ATOM 903 O LYS A 58 -1.278 7.762 10.430 1.00 0.00 O ATOM 904 CB LYS A 58 -3.989 6.486 9.418 1.00 0.00 C ATOM 905 CG LYS A 58 -5.489 6.550 9.074 1.00 0.00 C ATOM 906 CD LYS A 58 -6.473 6.667 10.239 1.00 0.00 C ATOM 907 CE LYS A 58 -6.606 5.525 11.218 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.089 5.970 12.552 1.00 0.00 N ATOM 0 H LYS A 58 -3.922 7.226 7.062 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.544 8.585 9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.563 5.592 8.964 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.881 6.377 10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.647 7.402 8.413 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.743 5.655 8.507 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.200 7.555 10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.460 6.851 9.815 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.296 4.784 10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -5.640 5.033 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.018 5.182 13.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.506 6.765 12.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.081 6.275 12.478 1.00 0.00 H new ATOM 922 N LEU A 59 -0.916 7.014 8.361 1.00 0.00 N ATOM 923 CA LEU A 59 0.518 6.807 8.496 1.00 0.00 C ATOM 924 C LEU A 59 1.290 8.097 8.190 1.00 0.00 C ATOM 925 O LEU A 59 2.514 8.037 8.062 1.00 0.00 O ATOM 926 CB LEU A 59 0.935 5.614 7.628 1.00 0.00 C ATOM 927 CG LEU A 59 0.293 4.295 8.118 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.305 3.290 6.979 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.997 3.663 9.328 1.00 0.00 C ATOM 0 H LEU A 59 -1.269 6.744 7.443 1.00 0.00 H new ATOM 0 HA LEU A 59 0.771 6.561 9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.644 5.798 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.021 5.517 7.641 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.718 4.548 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.146 2.356 7.314 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.264 3.686 6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.333 3.106 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.484 2.743 9.607 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.032 3.438 9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.975 4.359 10.166 1.00 0.00 H new ATOM 941 N ASN A 60 0.594 9.237 8.074 1.00 0.00 N ATOM 942 CA ASN A 60 1.065 10.549 7.633 1.00 0.00 C ATOM 943 C ASN A 60 1.999 10.403 6.434 1.00 0.00 C ATOM 944 O ASN A 60 3.110 10.928 6.395 1.00 0.00 O ATOM 945 CB ASN A 60 1.668 11.316 8.810 1.00 0.00 C ATOM 946 CG ASN A 60 2.215 12.674 8.386 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.661 13.365 7.533 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.333 13.070 8.954 1.00 0.00 N ATOM 0 H ASN A 60 -0.399 9.262 8.308 1.00 0.00 H new ATOM 0 HA ASN A 60 0.227 11.151 7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.909 11.455 9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.469 10.726 9.256 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.752 13.961 8.688 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.781 12.486 9.660 1.00 0.00 H new ATOM 955 N MET A 61 1.569 9.596 5.468 1.00 0.00 N ATOM 956 CA MET A 61 2.433 9.169 4.374 1.00 0.00 C ATOM 957 C MET A 61 2.272 10.059 3.145 1.00 0.00 C ATOM 958 O MET A 61 2.963 9.842 2.147 1.00 0.00 O ATOM 959 CB MET A 61 2.171 7.684 4.074 1.00 0.00 C ATOM 960 CG MET A 61 3.384 6.811 4.380 1.00 0.00 C ATOM 961 SD MET A 61 4.180 6.285 2.845 1.00 0.00 S ATOM 962 CE MET A 61 4.475 4.541 3.185 1.00 0.00 C ATOM 0 H MET A 61 0.621 9.223 5.422 1.00 0.00 H new ATOM 0 HA MET A 61 3.475 9.277 4.674 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.321 7.341 4.663 1.00 0.00 H new ATOM 0 HB3 MET A 61 1.899 7.570 3.025 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.094 7.365 4.995 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.077 5.938 4.956 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.963 4.080 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 61 5.116 4.445 4.061 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.525 4.041 3.374 1.00 0.00 H new ATOM 972 N LEU A 62 1.380 11.045 3.211 1.00 0.00 N ATOM 973 CA LEU A 62 1.011 11.865 2.080 1.00 0.00 C ATOM 974 C LEU A 62 1.751 13.198 2.146 1.00 0.00 C ATOM 975 O LEU A 62 1.858 13.817 3.211 1.00 0.00 O ATOM 976 CB LEU A 62 -0.517 12.033 2.036 1.00 0.00 C ATOM 977 CG LEU A 62 -1.287 10.738 1.698 1.00 0.00 C ATOM 978 CD1 LEU A 62 -2.792 11.016 1.691 1.00 0.00 C ATOM 979 CD2 LEU A 62 -0.911 10.146 0.335 1.00 0.00 C ATOM 0 H LEU A 62 0.890 11.294 4.070 1.00 0.00 H new ATOM 0 HA LEU A 62 1.307 11.380 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.858 12.404 3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.766 12.794 1.297 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.014 10.015 2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.330 10.099 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.101 11.372 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.018 11.775 0.942 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.489 9.238 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.129 10.871 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.152 9.907 0.323 1.00 0.00 H new ATOM 991 N ASP A 63 2.249 13.621 0.986 1.00 0.00 N ATOM 992 CA ASP A 63 2.765 14.949 0.655 1.00 0.00 C ATOM 993 C ASP A 63 1.698 15.987 1.014 1.00 0.00 C ATOM 994 O ASP A 63 0.510 15.638 1.046 1.00 0.00 O ATOM 995 CB ASP A 63 3.038 15.014 -0.866 1.00 0.00 C ATOM 996 CG ASP A 63 4.350 15.658 -1.314 1.00 0.00 C ATOM 997 OD1 ASP A 63 5.317 15.696 -0.533 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.388 16.153 -2.465 1.00 0.00 O ATOM 0 H ASP A 63 2.307 12.991 0.186 1.00 0.00 H new ATOM 0 HA ASP A 63 3.685 15.147 1.206 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.010 13.997 -1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.218 15.559 -1.333 1.00 0.00 H new ATOM 1003 N PRO A 64 2.025 17.280 1.147 1.00 0.00 N ATOM 1004 CA PRO A 64 1.028 18.322 1.358 1.00 0.00 C ATOM 1005 C PRO A 64 0.156 18.542 0.105 1.00 0.00 C ATOM 1006 O PRO A 64 -0.667 19.451 0.088 1.00 0.00 O ATOM 1007 CB PRO A 64 1.830 19.560 1.776 1.00 0.00 C ATOM 1008 CG PRO A 64 3.226 19.356 1.187 1.00 0.00 C ATOM 1009 CD PRO A 64 3.309 17.874 0.822 1.00 0.00 C ATOM 0 HA PRO A 64 0.305 18.057 2.129 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.372 20.472 1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.871 19.654 2.861 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.376 19.984 0.309 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.998 19.626 1.908 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.533 17.751 -0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.110 17.385 1.376 1.00 0.00 H new ATOM 1017 N GLU A 65 0.305 17.708 -0.924 1.00 0.00 N ATOM 1018 CA GLU A 65 -0.301 17.779 -2.248 1.00 0.00 C ATOM 1019 C GLU A 65 -1.264 16.604 -2.463 1.00 0.00 C ATOM 1020 O GLU A 65 -1.952 16.507 -3.479 1.00 0.00 O ATOM 1021 CB GLU A 65 0.809 17.651 -3.286 1.00 0.00 C ATOM 1022 CG GLU A 65 1.894 18.723 -3.146 1.00 0.00 C ATOM 1023 CD GLU A 65 1.496 20.100 -3.674 1.00 0.00 C ATOM 1024 OE1 GLU A 65 0.584 20.743 -3.110 1.00 0.00 O ATOM 1025 OE2 GLU A 65 2.170 20.566 -4.623 1.00 0.00 O ATOM 0 H GLU A 65 0.910 16.891 -0.841 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.842 18.721 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.267 16.666 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.374 17.712 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.162 18.815 -2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.787 18.389 -3.675 1.00 0.00 H new ATOM 1032 N GLY A 66 -1.250 15.652 -1.533 1.00 0.00 N ATOM 1033 CA GLY A 66 -2.044 14.432 -1.573 1.00 0.00 C ATOM 1034 C GLY A 66 -1.432 13.360 -2.478 1.00 0.00 C ATOM 1035 O GLY A 66 -2.164 12.607 -3.126 1.00 0.00 O ATOM 0 H GLY A 66 -0.663 15.714 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.144 14.035 -0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.049 14.668 -1.924 1.00 0.00 H new ATOM 1039 N ASN A 67 -0.096 13.321 -2.532 1.00 0.00 N ATOM 1040 CA ASN A 67 0.753 12.382 -3.274 1.00 0.00 C ATOM 1041 C ASN A 67 1.715 11.729 -2.268 1.00 0.00 C ATOM 1042 O ASN A 67 1.544 11.921 -1.071 1.00 0.00 O ATOM 1043 CB ASN A 67 1.492 13.126 -4.403 1.00 0.00 C ATOM 1044 CG ASN A 67 0.593 13.402 -5.601 1.00 0.00 C ATOM 1045 OD1 ASN A 67 0.681 12.713 -6.613 1.00 0.00 O ATOM 1046 ND2 ASN A 67 -0.266 14.405 -5.538 1.00 0.00 N ATOM 0 H ASN A 67 0.464 14.000 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 67 0.163 11.600 -3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.881 14.069 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.349 12.534 -4.724 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.866 14.614 -6.336 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.329 14.970 -4.691 1.00 0.00 H new ATOM 1053 N LEU A 68 2.715 10.954 -2.696 1.00 0.00 N ATOM 1054 CA LEU A 68 3.718 10.335 -1.813 1.00 0.00 C ATOM 1055 C LEU A 68 4.650 11.425 -1.246 1.00 0.00 C ATOM 1056 O LEU A 68 5.170 12.220 -2.022 1.00 0.00 O ATOM 1057 CB LEU A 68 4.475 9.281 -2.655 1.00 0.00 C ATOM 1058 CG LEU A 68 5.281 8.163 -1.961 1.00 0.00 C ATOM 1059 CD1 LEU A 68 6.566 8.644 -1.312 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.486 7.368 -0.918 1.00 0.00 C ATOM 0 H LEU A 68 2.856 10.733 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 68 3.262 9.842 -0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.742 8.797 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.165 9.821 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 68 5.526 7.502 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.076 7.801 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.213 9.085 -2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.333 9.392 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.126 6.603 -0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.136 8.042 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.630 6.893 -1.397 1.00 0.00 H new ATOM 1072 N HIS A 69 4.850 11.491 0.080 1.00 0.00 N ATOM 1073 CA HIS A 69 5.660 12.538 0.740 1.00 0.00 C ATOM 1074 C HIS A 69 7.179 12.382 0.535 1.00 0.00 C ATOM 1075 O HIS A 69 7.953 13.294 0.830 1.00 0.00 O ATOM 1076 CB HIS A 69 5.345 12.556 2.252 1.00 0.00 C ATOM 1077 CG HIS A 69 6.096 13.577 3.074 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.308 13.348 3.679 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.739 14.872 3.348 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.686 14.474 4.295 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.757 15.434 4.134 1.00 0.00 N ATOM 0 H HIS A 69 4.453 10.816 0.733 1.00 0.00 H new ATOM 0 HA HIS A 69 5.383 13.480 0.268 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.277 12.732 2.378 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.555 11.567 2.658 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.838 15.369 3.019 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.608 14.595 4.845 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.787 16.382 4.509 1.00 0.00 H new ATOM 1089 N HIS A 70 7.640 11.217 0.078 1.00 0.00 N ATOM 1090 CA HIS A 70 9.014 10.719 0.050 1.00 0.00 C ATOM 1091 C HIS A 70 9.562 10.456 1.452 1.00 0.00 C ATOM 1092 O HIS A 70 9.983 9.337 1.749 1.00 0.00 O ATOM 1093 CB HIS A 70 9.930 11.626 -0.781 1.00 0.00 C ATOM 1094 CG HIS A 70 9.335 11.981 -2.113 1.00 0.00 C ATOM 1095 ND1 HIS A 70 8.550 13.076 -2.402 1.00 0.00 N ATOM 1096 CD2 HIS A 70 9.369 11.185 -3.221 1.00 0.00 C ATOM 1097 CE1 HIS A 70 8.116 12.931 -3.663 1.00 0.00 C ATOM 1098 NE2 HIS A 70 8.598 11.799 -4.202 1.00 0.00 N ATOM 0 H HIS A 70 6.997 10.533 -0.320 1.00 0.00 H new ATOM 0 HA HIS A 70 8.994 9.752 -0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.134 12.540 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.887 11.127 -0.936 1.00 0.00 H new ATOM 0 HD1 HIS A 70 8.338 13.852 -1.774 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.898 10.249 -3.318 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.469 13.628 -4.174 1.00 0.00 H new ATOM 1106 N GLY A 71 9.535 11.474 2.311 1.00 0.00 N ATOM 1107 CA GLY A 71 10.118 11.459 3.640 1.00 0.00 C ATOM 1108 C GLY A 71 9.587 10.325 4.513 1.00 0.00 C ATOM 1109 O GLY A 71 10.301 9.355 4.779 1.00 0.00 O ATOM 0 H GLY A 71 9.088 12.363 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.201 11.367 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.916 12.412 4.130 1.00 0.00 H new ATOM 1113 N ASN A 72 8.332 10.442 4.963 1.00 0.00 N ATOM 1114 CA ASN A 72 7.738 9.502 5.906 1.00 0.00 C ATOM 1115 C ASN A 72 7.762 8.068 5.365 1.00 0.00 C ATOM 1116 O ASN A 72 8.094 7.154 6.115 1.00 0.00 O ATOM 1117 CB ASN A 72 6.315 9.949 6.278 1.00 0.00 C ATOM 1118 CG ASN A 72 5.866 9.372 7.617 1.00 0.00 C ATOM 1119 OD1 ASN A 72 6.318 8.319 8.060 1.00 0.00 O ATOM 1120 ND2 ASN A 72 4.961 10.038 8.300 1.00 0.00 N ATOM 0 H ASN A 72 7.703 11.194 4.680 1.00 0.00 H new ATOM 0 HA ASN A 72 8.341 9.502 6.814 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.277 11.037 6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.621 9.636 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.634 9.680 9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.586 10.912 7.932 1.00 0.00 H new ATOM 1127 N ALA A 73 7.491 7.872 4.063 1.00 0.00 N ATOM 1128 CA ALA A 73 7.678 6.605 3.348 1.00 0.00 C ATOM 1129 C ALA A 73 9.027 5.977 3.729 1.00 0.00 C ATOM 1130 O ALA A 73 9.082 4.878 4.285 1.00 0.00 O ATOM 1131 CB ALA A 73 7.569 6.797 1.829 1.00 0.00 C ATOM 0 H ALA A 73 7.126 8.614 3.465 1.00 0.00 H new ATOM 0 HA ALA A 73 6.880 5.924 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.713 5.839 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.583 7.191 1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.334 7.498 1.495 1.00 0.00 H new ATOM 1137 N MET A 74 10.121 6.697 3.466 1.00 0.00 N ATOM 1138 CA MET A 74 11.463 6.192 3.682 1.00 0.00 C ATOM 1139 C MET A 74 11.755 5.940 5.162 1.00 0.00 C ATOM 1140 O MET A 74 12.363 4.919 5.497 1.00 0.00 O ATOM 1141 CB MET A 74 12.486 7.171 3.097 1.00 0.00 C ATOM 1142 CG MET A 74 13.868 6.529 3.250 1.00 0.00 C ATOM 1143 SD MET A 74 15.045 6.763 1.911 1.00 0.00 S ATOM 1144 CE MET A 74 14.332 5.655 0.671 1.00 0.00 C ATOM 0 H MET A 74 10.092 7.647 3.097 1.00 0.00 H new ATOM 0 HA MET A 74 11.541 5.232 3.172 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.269 7.372 2.048 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.446 8.127 3.620 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.318 6.914 4.165 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.727 5.457 3.391 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.109 4.997 0.281 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.545 5.056 1.128 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.912 6.244 -0.145 1.00 0.00 H new ATOM 1154 N GLU A 75 11.370 6.864 6.045 1.00 0.00 N ATOM 1155 CA GLU A 75 11.611 6.708 7.474 1.00 0.00 C ATOM 1156 C GLU A 75 10.910 5.443 7.977 1.00 0.00 C ATOM 1157 O GLU A 75 11.539 4.633 8.657 1.00 0.00 O ATOM 1158 CB GLU A 75 11.136 7.946 8.257 1.00 0.00 C ATOM 1159 CG GLU A 75 12.070 9.170 8.135 1.00 0.00 C ATOM 1160 CD GLU A 75 11.632 10.375 8.992 1.00 0.00 C ATOM 1161 OE1 GLU A 75 10.963 10.187 10.033 1.00 0.00 O ATOM 1162 OE2 GLU A 75 11.958 11.536 8.636 1.00 0.00 O ATOM 0 H GLU A 75 10.890 7.727 5.791 1.00 0.00 H new ATOM 0 HA GLU A 75 12.684 6.610 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.143 8.225 7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.039 7.681 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.078 8.876 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.117 9.477 7.090 1.00 0.00 H new ATOM 1169 N PHE A 76 9.641 5.242 7.610 1.00 0.00 N ATOM 1170 CA PHE A 76 8.858 4.064 7.966 1.00 0.00 C ATOM 1171 C PHE A 76 9.535 2.794 7.468 1.00 0.00 C ATOM 1172 O PHE A 76 9.600 1.806 8.194 1.00 0.00 O ATOM 1173 CB PHE A 76 7.476 4.162 7.313 1.00 0.00 C ATOM 1174 CG PHE A 76 6.475 3.139 7.808 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.818 3.337 9.034 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.189 1.995 7.042 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.833 2.428 9.465 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.222 1.073 7.482 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.529 1.302 8.680 1.00 0.00 C ATOM 0 H PHE A 76 9.121 5.912 7.044 1.00 0.00 H new ATOM 0 HA PHE A 76 8.772 4.023 9.052 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.074 5.160 7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.589 4.050 6.235 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.069 4.189 9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.713 1.824 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.312 2.595 10.396 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.013 0.189 6.898 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.761 0.613 9.000 1.00 0.00 H new ATOM 1189 N ALA A 77 10.021 2.815 6.230 1.00 0.00 N ATOM 1190 CA ALA A 77 10.691 1.688 5.625 1.00 0.00 C ATOM 1191 C ALA A 77 11.905 1.295 6.474 1.00 0.00 C ATOM 1192 O ALA A 77 11.934 0.201 7.043 1.00 0.00 O ATOM 1193 CB ALA A 77 10.998 2.036 4.172 1.00 0.00 C ATOM 0 H ALA A 77 9.955 3.629 5.619 1.00 0.00 H new ATOM 0 HA ALA A 77 10.064 0.797 5.601 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.505 1.197 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.068 2.245 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.641 2.915 4.137 1.00 0.00 H new ATOM 1199 N LYS A 78 12.885 2.192 6.630 1.00 0.00 N ATOM 1200 CA LYS A 78 14.086 1.923 7.412 1.00 0.00 C ATOM 1201 C LYS A 78 13.753 1.542 8.857 1.00 0.00 C ATOM 1202 O LYS A 78 14.447 0.701 9.428 1.00 0.00 O ATOM 1203 CB LYS A 78 15.019 3.146 7.355 1.00 0.00 C ATOM 1204 CG LYS A 78 16.159 2.979 6.335 1.00 0.00 C ATOM 1205 CD LYS A 78 15.818 3.394 4.897 1.00 0.00 C ATOM 1206 CE LYS A 78 17.068 3.985 4.233 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.870 4.335 2.808 1.00 0.00 N ATOM 0 H LYS A 78 12.863 3.124 6.216 1.00 0.00 H new ATOM 0 HA LYS A 78 14.597 1.065 6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.436 4.031 7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.444 3.319 8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.014 3.565 6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.470 1.934 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.464 2.532 4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.011 4.127 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.372 4.878 4.779 1.00 0.00 H new ATOM 0 HE3 LYS A 78 17.885 3.268 4.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.766 4.681 2.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.559 3.493 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.147 5.078 2.730 1.00 0.00 H new ATOM 1221 N LYS A 79 12.702 2.114 9.449 1.00 0.00 N ATOM 1222 CA LYS A 79 12.241 1.813 10.804 1.00 0.00 C ATOM 1223 C LYS A 79 11.974 0.329 11.013 1.00 0.00 C ATOM 1224 O LYS A 79 12.278 -0.199 12.080 1.00 0.00 O ATOM 1225 CB LYS A 79 10.996 2.667 11.062 1.00 0.00 C ATOM 1226 CG LYS A 79 10.310 2.443 12.407 1.00 0.00 C ATOM 1227 CD LYS A 79 9.256 3.526 12.665 1.00 0.00 C ATOM 1228 CE LYS A 79 7.855 3.059 12.263 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.829 3.905 12.899 1.00 0.00 N ATOM 0 H LYS A 79 12.132 2.820 8.984 1.00 0.00 H new ATOM 0 HA LYS A 79 13.022 2.058 11.524 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.276 3.718 10.988 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.274 2.473 10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.839 1.460 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.052 2.453 13.205 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.261 3.794 13.721 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.514 4.426 12.106 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.748 3.100 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.713 2.020 12.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.884 3.576 12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.922 3.845 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.956 4.892 12.597 1.00 0.00 H new ATOM 1243 N HIS A 80 11.418 -0.350 10.014 1.00 0.00 N ATOM 1244 CA HIS A 80 11.109 -1.776 10.092 1.00 0.00 C ATOM 1245 C HIS A 80 12.357 -2.648 9.884 1.00 0.00 C ATOM 1246 O HIS A 80 12.238 -3.866 9.770 1.00 0.00 O ATOM 1247 CB HIS A 80 9.992 -2.092 9.086 1.00 0.00 C ATOM 1248 CG HIS A 80 8.679 -1.462 9.471 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.485 -0.145 9.792 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.472 -2.088 9.582 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.213 0.007 10.162 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.540 -1.147 10.030 1.00 0.00 N ATOM 0 H HIS A 80 11.167 0.075 9.122 1.00 0.00 H new ATOM 0 HA HIS A 80 10.757 -2.017 11.095 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.286 -1.738 8.098 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.866 -3.172 9.014 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.190 0.591 9.755 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.272 -3.126 9.363 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.783 0.931 10.519 1.00 0.00 H new ATOM 1260 N GLY A 81 13.551 -2.053 9.804 1.00 0.00 N ATOM 1261 CA GLY A 81 14.781 -2.766 9.499 1.00 0.00 C ATOM 1262 C GLY A 81 15.004 -2.916 7.997 1.00 0.00 C ATOM 1263 O GLY A 81 15.951 -3.597 7.598 1.00 0.00 O ATOM 0 H GLY A 81 13.685 -1.053 9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.625 -2.235 9.938 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.750 -3.753 9.960 1.00 0.00 H new ATOM 1267 N ALA A 82 14.149 -2.309 7.160 1.00 0.00 N ATOM 1268 CA ALA A 82 14.239 -2.464 5.720 1.00 0.00 C ATOM 1269 C ALA A 82 15.546 -1.893 5.212 1.00 0.00 C ATOM 1270 O ALA A 82 16.070 -0.911 5.749 1.00 0.00 O ATOM 1271 CB ALA A 82 13.072 -1.783 5.011 1.00 0.00 C ATOM 0 H ALA A 82 13.387 -1.705 7.469 1.00 0.00 H new ATOM 0 HA ALA A 82 14.197 -3.531 5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.171 -1.919 3.934 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.134 -2.225 5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.076 -0.718 5.244 1.00 0.00 H new ATOM 1277 N ASP A 83 16.032 -2.510 4.146 1.00 0.00 N ATOM 1278 CA ASP A 83 17.278 -2.163 3.510 1.00 0.00 C ATOM 1279 C ASP A 83 17.182 -0.746 2.954 1.00 0.00 C ATOM 1280 O ASP A 83 16.114 -0.253 2.585 1.00 0.00 O ATOM 1281 CB ASP A 83 17.731 -3.171 2.408 1.00 0.00 C ATOM 1282 CG ASP A 83 16.874 -4.415 2.043 1.00 0.00 C ATOM 1283 OD1 ASP A 83 15.957 -4.843 2.791 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.084 -4.967 0.936 1.00 0.00 O ATOM 0 H ASP A 83 15.551 -3.287 3.692 1.00 0.00 H new ATOM 0 HA ASP A 83 18.053 -2.215 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.864 -2.598 1.490 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.715 -3.539 2.700 1.00 0.00 H new ATOM 1289 N GLU A 84 18.340 -0.107 2.858 1.00 0.00 N ATOM 1290 CA GLU A 84 18.577 1.202 2.287 1.00 0.00 C ATOM 1291 C GLU A 84 18.024 1.237 0.867 1.00 0.00 C ATOM 1292 O GLU A 84 17.190 2.084 0.531 1.00 0.00 O ATOM 1293 CB GLU A 84 20.098 1.467 2.350 1.00 0.00 C ATOM 1294 CG GLU A 84 20.481 2.774 3.051 1.00 0.00 C ATOM 1295 CD GLU A 84 20.340 4.005 2.161 1.00 0.00 C ATOM 1296 OE1 GLU A 84 19.246 4.203 1.586 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.269 4.837 2.113 1.00 0.00 O ATOM 0 H GLU A 84 19.202 -0.527 3.206 1.00 0.00 H new ATOM 0 HA GLU A 84 18.068 1.992 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.579 0.637 2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.495 1.483 1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.855 2.900 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.512 2.702 3.398 1.00 0.00 H new ATOM 1304 N THR A 85 18.460 0.257 0.074 1.00 0.00 N ATOM 1305 CA THR A 85 18.055 0.039 -1.304 1.00 0.00 C ATOM 1306 C THR A 85 16.577 -0.320 -1.385 1.00 0.00 C ATOM 1307 O THR A 85 15.857 0.290 -2.171 1.00 0.00 O ATOM 1308 CB THR A 85 18.944 -1.071 -1.868 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.287 -0.639 -1.720 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.636 -1.411 -3.329 1.00 0.00 C ATOM 0 H THR A 85 19.136 -0.435 0.396 1.00 0.00 H new ATOM 0 HA THR A 85 18.179 0.947 -1.894 1.00 0.00 H new ATOM 0 HB THR A 85 18.756 -1.994 -1.319 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.892 -1.326 -2.070 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.302 -2.205 -3.666 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.602 -1.744 -3.415 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.785 -0.526 -3.948 1.00 0.00 H new ATOM 1318 N MET A 86 16.109 -1.256 -0.552 1.00 0.00 N ATOM 1319 CA MET A 86 14.704 -1.628 -0.513 1.00 0.00 C ATOM 1320 C MET A 86 13.854 -0.380 -0.340 1.00 0.00 C ATOM 1321 O MET A 86 12.924 -0.172 -1.103 1.00 0.00 O ATOM 1322 CB MET A 86 14.453 -2.659 0.602 1.00 0.00 C ATOM 1323 CG MET A 86 13.032 -2.603 1.171 1.00 0.00 C ATOM 1324 SD MET A 86 12.475 -4.051 2.119 1.00 0.00 S ATOM 1325 CE MET A 86 11.429 -4.845 0.877 1.00 0.00 C ATOM 0 H MET A 86 16.694 -1.770 0.107 1.00 0.00 H new ATOM 0 HA MET A 86 14.421 -2.100 -1.454 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.641 -3.659 0.212 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.167 -2.492 1.409 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.957 -1.726 1.814 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.340 -2.451 0.343 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.812 -5.606 1.354 1.00 0.00 H new ATOM 0 HE2 MET A 86 10.788 -4.098 0.410 1.00 0.00 H new ATOM 0 HE3 MET A 86 12.056 -5.311 0.117 1.00 0.00 H new ATOM 1335 N ALA A 87 14.153 0.446 0.656 1.00 0.00 N ATOM 1336 CA ALA A 87 13.391 1.644 0.938 1.00 0.00 C ATOM 1337 C ALA A 87 13.425 2.620 -0.236 1.00 0.00 C ATOM 1338 O ALA A 87 12.406 3.239 -0.515 1.00 0.00 O ATOM 1339 CB ALA A 87 13.911 2.229 2.234 1.00 0.00 C ATOM 0 H ALA A 87 14.937 0.297 1.291 1.00 0.00 H new ATOM 0 HA ALA A 87 12.334 1.410 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.355 3.135 2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.785 1.503 3.037 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.968 2.470 2.126 1.00 0.00 H new ATOM 1345 N GLN A 88 14.559 2.764 -0.924 1.00 0.00 N ATOM 1346 CA GLN A 88 14.647 3.574 -2.138 1.00 0.00 C ATOM 1347 C GLN A 88 13.651 3.042 -3.174 1.00 0.00 C ATOM 1348 O GLN A 88 12.805 3.793 -3.655 1.00 0.00 O ATOM 1349 CB GLN A 88 16.110 3.569 -2.621 1.00 0.00 C ATOM 1350 CG GLN A 88 16.485 4.673 -3.619 1.00 0.00 C ATOM 1351 CD GLN A 88 15.679 4.611 -4.915 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.577 3.564 -5.562 1.00 0.00 O ATOM 1353 NE2 GLN A 88 15.056 5.718 -5.276 1.00 0.00 N ATOM 0 H GLN A 88 15.439 2.324 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 88 14.372 4.613 -1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.761 3.655 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.318 2.603 -3.081 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.333 5.645 -3.150 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.546 4.596 -3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.161 6.567 -4.720 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.470 5.724 -6.111 1.00 0.00 H new ATOM 1362 N GLN A 89 13.710 1.748 -3.479 1.00 0.00 N ATOM 1363 CA GLN A 89 12.824 1.080 -4.423 1.00 0.00 C ATOM 1364 C GLN A 89 11.352 1.197 -4.008 1.00 0.00 C ATOM 1365 O GLN A 89 10.486 1.430 -4.850 1.00 0.00 O ATOM 1366 CB GLN A 89 13.271 -0.391 -4.523 1.00 0.00 C ATOM 1367 CG GLN A 89 14.173 -0.582 -5.744 1.00 0.00 C ATOM 1368 CD GLN A 89 14.807 -1.955 -5.838 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.257 -2.539 -4.858 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.935 -2.467 -7.044 1.00 0.00 N ATOM 0 H GLN A 89 14.396 1.119 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 89 12.894 1.560 -5.399 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.805 -0.680 -3.618 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.399 -1.040 -4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.588 -0.402 -6.646 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.962 0.170 -5.720 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.556 -1.972 -7.851 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.413 -3.359 -7.171 1.00 0.00 H new ATOM 1379 N LEU A 90 11.055 1.056 -2.715 1.00 0.00 N ATOM 1380 CA LEU A 90 9.710 1.194 -2.169 1.00 0.00 C ATOM 1381 C LEU A 90 9.180 2.618 -2.333 1.00 0.00 C ATOM 1382 O LEU A 90 7.976 2.806 -2.177 1.00 0.00 O ATOM 1383 CB LEU A 90 9.652 0.817 -0.679 1.00 0.00 C ATOM 1384 CG LEU A 90 9.839 -0.669 -0.312 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.043 -0.797 1.205 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.641 -1.536 -0.692 1.00 0.00 C ATOM 0 H LEU A 90 11.757 0.839 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 90 9.084 0.505 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.417 1.391 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.688 1.141 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 90 10.705 -1.019 -0.873 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.175 -1.847 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.928 -0.234 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.170 -0.401 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.835 -2.570 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.753 -1.177 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.478 -1.480 -1.768 1.00 0.00 H new ATOM 1398 N ILE A 91 10.011 3.615 -2.643 1.00 0.00 N ATOM 1399 CA ILE A 91 9.535 4.893 -3.149 1.00 0.00 C ATOM 1400 C ILE A 91 9.552 4.909 -4.659 1.00 0.00 C ATOM 1401 O ILE A 91 8.529 5.285 -5.215 1.00 0.00 O ATOM 1402 CB ILE A 91 10.253 6.101 -2.509 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.618 6.314 -1.117 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.024 7.402 -3.307 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.381 5.588 -0.020 1.00 0.00 C ATOM 0 H ILE A 91 11.025 3.555 -2.549 1.00 0.00 H new ATOM 0 HA ILE A 91 8.495 5.004 -2.842 1.00 0.00 H new ATOM 0 HB ILE A 91 11.323 5.894 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.589 7.380 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.586 5.963 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.548 8.225 -2.820 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.405 7.279 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.957 7.623 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.897 5.768 0.940 1.00 0.00 H new ATOM 0 HD12 ILE A 91 10.388 4.518 -0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.406 5.957 0.016 1.00 0.00 H new ATOM 1417 N ASP A 92 10.643 4.564 -5.338 1.00 0.00 N ATOM 1418 CA ASP A 92 10.719 4.891 -6.761 1.00 0.00 C ATOM 1419 C ASP A 92 9.670 4.138 -7.583 1.00 0.00 C ATOM 1420 O ASP A 92 9.179 4.674 -8.577 1.00 0.00 O ATOM 1421 CB ASP A 92 12.125 4.679 -7.329 1.00 0.00 C ATOM 1422 CG ASP A 92 12.354 5.659 -8.484 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.565 6.867 -8.208 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.274 5.243 -9.662 1.00 0.00 O ATOM 0 H ASP A 92 11.453 4.080 -4.950 1.00 0.00 H new ATOM 0 HA ASP A 92 10.494 5.954 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.872 4.835 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.238 3.653 -7.679 1.00 0.00 H new ATOM 1429 N ILE A 93 9.257 2.943 -7.145 1.00 0.00 N ATOM 1430 CA ILE A 93 8.151 2.217 -7.759 1.00 0.00 C ATOM 1431 C ILE A 93 6.839 2.947 -7.431 1.00 0.00 C ATOM 1432 O ILE A 93 6.030 3.183 -8.325 1.00 0.00 O ATOM 1433 CB ILE A 93 8.136 0.747 -7.272 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.470 0.012 -7.551 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.996 -0.018 -7.964 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.653 -1.278 -6.740 1.00 0.00 C ATOM 0 H ILE A 93 9.683 2.457 -6.356 1.00 0.00 H new ATOM 0 HA ILE A 93 8.271 2.190 -8.842 1.00 0.00 H new ATOM 0 HB ILE A 93 7.988 0.773 -6.192 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.526 -0.228 -8.613 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.298 0.687 -7.332 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.989 -1.052 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 93 6.043 0.452 -7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.147 0.003 -9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.611 -1.733 -6.992 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.631 -1.045 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.847 -1.973 -6.976 1.00 0.00 H new ATOM 1448 N VAL A 94 6.626 3.284 -6.154 1.00 0.00 N ATOM 1449 CA VAL A 94 5.391 3.862 -5.631 1.00 0.00 C ATOM 1450 C VAL A 94 5.136 5.228 -6.258 1.00 0.00 C ATOM 1451 O VAL A 94 4.121 5.433 -6.926 1.00 0.00 O ATOM 1452 CB VAL A 94 5.441 3.906 -4.083 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.217 4.621 -3.525 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.392 2.464 -3.578 1.00 0.00 C ATOM 0 H VAL A 94 7.337 3.156 -5.434 1.00 0.00 H new ATOM 0 HA VAL A 94 4.544 3.232 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 94 6.344 4.429 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.272 4.641 -2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.187 5.642 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.315 4.092 -3.833 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.426 2.459 -2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.469 1.992 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.246 1.912 -3.970 1.00 0.00 H new ATOM 1464 N HIS A 95 6.088 6.141 -6.087 1.00 0.00 N ATOM 1465 CA HIS A 95 6.048 7.462 -6.665 1.00 0.00 C ATOM 1466 C HIS A 95 5.904 7.338 -8.192 1.00 0.00 C ATOM 1467 O HIS A 95 5.147 8.082 -8.813 1.00 0.00 O ATOM 1468 CB HIS A 95 7.321 8.223 -6.291 1.00 0.00 C ATOM 1469 CG HIS A 95 7.323 9.660 -6.746 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.448 10.404 -7.002 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.235 10.473 -6.930 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.055 11.653 -7.295 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.710 11.733 -7.311 1.00 0.00 N ATOM 0 H HIS A 95 6.924 5.969 -5.528 1.00 0.00 H new ATOM 0 HA HIS A 95 5.194 8.018 -6.278 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.447 8.194 -5.209 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.180 7.712 -6.726 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.410 10.067 -6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.200 10.192 -6.804 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.723 12.479 -7.491 1.00 0.00 H new ATOM 1481 N GLY A 96 6.583 6.347 -8.784 1.00 0.00 N ATOM 1482 CA GLY A 96 6.515 5.956 -10.185 1.00 0.00 C ATOM 1483 C GLY A 96 5.181 5.338 -10.605 1.00 0.00 C ATOM 1484 O GLY A 96 5.075 4.880 -11.743 1.00 0.00 O ATOM 0 H GLY A 96 7.234 5.764 -8.258 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.706 6.833 -10.804 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.313 5.242 -10.389 1.00 0.00 H new ATOM 1488 N CYS A 97 4.167 5.346 -9.742 1.00 0.00 N ATOM 1489 CA CYS A 97 2.786 5.011 -10.028 1.00 0.00 C ATOM 1490 C CYS A 97 1.866 6.161 -9.637 1.00 0.00 C ATOM 1491 O CYS A 97 0.952 6.410 -10.414 1.00 0.00 O ATOM 1492 CB CYS A 97 2.395 3.713 -9.337 1.00 0.00 C ATOM 1493 SG CYS A 97 3.065 2.209 -10.080 1.00 0.00 S ATOM 0 H CYS A 97 4.304 5.604 -8.765 1.00 0.00 H new ATOM 0 HA CYS A 97 2.677 4.854 -11.101 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.721 3.761 -8.298 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.308 3.640 -9.327 1.00 0.00 H new ATOM 1498 N GLU A 98 2.105 6.932 -8.563 1.00 0.00 N ATOM 1499 CA GLU A 98 1.258 8.045 -8.128 1.00 0.00 C ATOM 1500 C GLU A 98 0.808 9.001 -9.248 1.00 0.00 C ATOM 1501 O GLU A 98 -0.249 9.623 -9.148 1.00 0.00 O ATOM 1502 CB GLU A 98 1.974 8.840 -7.010 1.00 0.00 C ATOM 1503 CG GLU A 98 1.216 8.774 -5.671 1.00 0.00 C ATOM 1504 CD GLU A 98 1.605 7.699 -4.660 1.00 0.00 C ATOM 1505 OE1 GLU A 98 2.698 7.120 -4.764 1.00 0.00 O ATOM 1506 OE2 GLU A 98 0.787 7.439 -3.739 1.00 0.00 O ATOM 0 H GLU A 98 2.916 6.791 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 98 0.341 7.586 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.981 8.446 -6.875 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.077 9.881 -7.316 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.324 9.742 -5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.157 8.648 -5.897 1.00 0.00 H new ATOM 1513 N LYS A 99 1.568 9.096 -10.338 1.00 0.00 N ATOM 1514 CA LYS A 99 1.221 9.833 -11.548 1.00 0.00 C ATOM 1515 C LYS A 99 1.149 8.925 -12.769 1.00 0.00 C ATOM 1516 O LYS A 99 0.278 9.124 -13.618 1.00 0.00 O ATOM 1517 CB LYS A 99 2.187 11.009 -11.755 1.00 0.00 C ATOM 1518 CG LYS A 99 3.688 10.689 -11.577 1.00 0.00 C ATOM 1519 CD LYS A 99 4.196 10.929 -10.141 1.00 0.00 C ATOM 1520 CE LYS A 99 4.726 12.344 -9.886 1.00 0.00 C ATOM 1521 NZ LYS A 99 3.863 13.431 -10.387 1.00 0.00 N ATOM 0 H LYS A 99 2.479 8.642 -10.403 1.00 0.00 H new ATOM 0 HA LYS A 99 0.220 10.243 -11.418 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.036 11.405 -12.759 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.919 11.801 -11.056 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.865 9.648 -11.849 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.268 11.302 -12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.384 10.727 -9.443 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.988 10.213 -9.924 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.866 12.476 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.708 12.437 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.300 14.349 -10.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.748 13.337 -11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.932 13.374 -9.928 1.00 0.00 H new ATOM 1535 N SER A 100 2.022 7.922 -12.869 1.00 0.00 N ATOM 1536 CA SER A 100 2.110 7.042 -14.025 1.00 0.00 C ATOM 1537 C SER A 100 0.837 6.207 -14.211 1.00 0.00 C ATOM 1538 O SER A 100 0.368 6.052 -15.342 1.00 0.00 O ATOM 1539 CB SER A 100 3.338 6.151 -13.870 1.00 0.00 C ATOM 1540 OG SER A 100 3.904 5.869 -15.127 1.00 0.00 O ATOM 0 H SER A 100 2.696 7.698 -12.136 1.00 0.00 H new ATOM 0 HA SER A 100 2.209 7.650 -14.924 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.074 6.644 -13.235 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.060 5.222 -13.373 1.00 0.00 H new ATOM 0 HG SER A 100 4.692 5.298 -15.010 1.00 0.00 H new ATOM 1546 N THR A 101 0.258 5.710 -13.122 1.00 0.00 N ATOM 1547 CA THR A 101 -0.936 4.886 -13.124 1.00 0.00 C ATOM 1548 C THR A 101 -2.120 5.696 -13.678 1.00 0.00 C ATOM 1549 O THR A 101 -2.453 6.740 -13.108 1.00 0.00 O ATOM 1550 CB THR A 101 -1.139 4.430 -11.676 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.206 3.415 -11.361 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.522 3.842 -11.415 1.00 0.00 C ATOM 0 H THR A 101 0.623 5.878 -12.185 1.00 0.00 H new ATOM 0 HA THR A 101 -0.849 4.011 -13.768 1.00 0.00 H new ATOM 0 HB THR A 101 -1.012 5.323 -11.064 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.436 3.016 -10.496 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.598 3.540 -10.371 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.283 4.592 -11.632 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.675 2.974 -12.056 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.755 5.258 -14.778 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.945 5.897 -15.312 1.00 0.00 C ATOM 1562 C PRO A 102 -5.148 5.524 -14.454 1.00 0.00 C ATOM 1563 O PRO A 102 -5.387 4.343 -14.188 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.066 5.371 -16.738 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.451 3.971 -16.674 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.446 4.048 -15.527 1.00 0.00 C ATOM 0 HA PRO A 102 -3.893 6.986 -15.307 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.106 5.335 -17.062 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.534 6.008 -17.444 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.210 3.212 -16.486 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.963 3.708 -17.613 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.520 3.168 -14.888 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.425 4.079 -15.909 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.912 6.525 -14.025 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.048 6.338 -13.133 1.00 0.00 C ATOM 1576 C ALA A 103 -8.248 7.164 -13.594 1.00 0.00 C ATOM 1577 O ALA A 103 -8.147 7.955 -14.537 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.624 6.701 -11.704 1.00 0.00 C ATOM 0 H ALA A 103 -5.757 7.497 -14.291 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.360 5.294 -13.153 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.468 6.564 -11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.802 6.056 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.300 7.741 -11.674 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.391 6.987 -12.929 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.427 8.018 -12.910 1.00 0.00 C ATOM 1586 C ASN A 104 -10.062 9.007 -11.803 1.00 0.00 C ATOM 1587 O ASN A 104 -9.178 8.726 -10.992 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.864 7.502 -12.701 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.061 6.023 -12.903 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.382 5.548 -13.982 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.848 5.250 -11.858 1.00 0.00 N ATOM 0 H ASN A 104 -9.621 6.145 -12.400 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.445 8.477 -13.898 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.179 7.757 -11.689 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.525 8.035 -13.384 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.950 4.239 -11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.581 5.663 -10.964 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.850 10.071 -11.654 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.777 10.994 -10.511 1.00 0.00 C ATOM 1600 C ASP A 105 -11.123 10.311 -9.182 1.00 0.00 C ATOM 1601 O ASP A 105 -11.060 10.905 -8.111 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.721 12.165 -10.750 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.227 13.483 -10.153 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.937 13.577 -8.943 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -11.116 14.475 -10.914 1.00 0.00 O ATOM 0 H ASP A 105 -11.569 10.324 -12.331 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.747 11.344 -10.433 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.863 12.293 -11.823 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.696 11.927 -10.326 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.553 9.052 -9.237 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.854 8.254 -8.066 1.00 0.00 C ATOM 1612 C ASP A 106 -10.546 7.986 -7.310 1.00 0.00 C ATOM 1613 O ASP A 106 -9.797 7.075 -7.668 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.528 6.946 -8.496 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.233 6.257 -7.336 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.847 6.450 -6.157 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.208 5.535 -7.641 1.00 0.00 O ATOM 0 H ASP A 106 -11.702 8.556 -10.115 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.542 8.782 -7.406 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.249 7.153 -9.287 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.780 6.274 -8.916 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.223 8.783 -6.288 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.982 8.635 -5.511 1.00 0.00 C ATOM 1624 C LYS A 107 -8.838 7.261 -4.872 1.00 0.00 C ATOM 1625 O LYS A 107 -7.705 6.838 -4.623 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.909 9.706 -4.426 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.567 11.075 -5.026 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.093 11.341 -5.318 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.217 11.010 -4.123 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.013 11.874 -4.053 1.00 0.00 N ATOM 0 H LYS A 107 -10.814 9.552 -5.973 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.160 8.753 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.863 9.763 -3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.156 9.430 -3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.125 11.189 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.924 11.846 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.779 10.747 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.959 12.388 -5.589 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.797 11.124 -3.207 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.910 9.966 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.169 11.313 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.107 12.656 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.918 12.260 -3.092 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.945 6.553 -4.630 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.871 5.170 -4.209 1.00 0.00 C ATOM 1646 C CYS A 108 -9.188 4.368 -5.319 1.00 0.00 C ATOM 1647 O CYS A 108 -8.234 3.648 -5.044 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.262 4.591 -3.924 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.406 5.499 -2.853 1.00 0.00 S ATOM 0 H CYS A 108 -10.892 6.920 -4.720 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.300 5.110 -3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.758 4.447 -4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.121 3.603 -3.487 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.690 4.474 -6.557 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.278 3.691 -7.728 1.00 0.00 C ATOM 1656 C ILE A 109 -7.838 4.037 -8.077 1.00 0.00 C ATOM 1657 O ILE A 109 -7.051 3.145 -8.389 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.193 3.960 -8.926 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.642 3.566 -8.583 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.694 3.292 -10.218 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.044 2.108 -8.721 1.00 0.00 C ATOM 0 H ILE A 109 -10.430 5.140 -6.779 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.355 2.631 -7.486 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.170 5.031 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.834 3.868 -7.553 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.305 4.155 -9.216 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.382 3.517 -11.033 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.703 3.672 -10.465 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.643 2.213 -10.074 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.092 1.992 -8.444 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -11.904 1.788 -9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.425 1.496 -8.065 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.513 5.332 -8.032 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.183 5.858 -8.150 1.00 0.00 C ATOM 1675 C TRP A 110 -5.244 5.079 -7.236 1.00 0.00 C ATOM 1676 O TRP A 110 -4.374 4.358 -7.723 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.236 7.363 -7.852 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.907 7.989 -7.937 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.060 7.973 -8.983 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.203 8.589 -6.838 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.900 8.638 -8.623 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.938 9.038 -7.297 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.535 8.755 -5.485 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -2.061 9.722 -6.442 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.600 9.311 -4.596 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.381 9.822 -5.075 1.00 0.00 C ATOM 0 H TRP A 110 -8.214 6.062 -7.906 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.786 5.740 -9.158 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.911 7.849 -8.557 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.648 7.521 -6.855 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.253 7.517 -9.943 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.117 8.811 -9.254 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.509 8.455 -5.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.154 10.165 -6.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.819 9.346 -3.539 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.689 10.292 -4.393 1.00 0.00 H new ATOM 1697 N THR A 111 -5.477 5.155 -5.930 1.00 0.00 N ATOM 1698 CA THR A 111 -4.646 4.500 -4.938 1.00 0.00 C ATOM 1699 C THR A 111 -4.634 2.969 -5.136 1.00 0.00 C ATOM 1700 O THR A 111 -3.577 2.347 -5.015 1.00 0.00 O ATOM 1701 CB THR A 111 -5.132 4.938 -3.549 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.241 6.344 -3.450 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.176 4.441 -2.468 1.00 0.00 C ATOM 0 H THR A 111 -6.256 5.679 -5.531 1.00 0.00 H new ATOM 0 HA THR A 111 -3.604 4.801 -5.047 1.00 0.00 H new ATOM 0 HB THR A 111 -6.120 4.500 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.104 6.632 -3.814 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.535 4.760 -1.490 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.126 3.353 -2.499 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.183 4.855 -2.642 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.771 2.353 -5.497 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.894 0.952 -5.879 1.00 0.00 C ATOM 1713 C LEU A 112 -4.861 0.606 -6.948 1.00 0.00 C ATOM 1714 O LEU A 112 -4.113 -0.353 -6.775 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.337 0.654 -6.323 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.829 -0.755 -5.962 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.337 -0.813 -5.732 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.643 -1.754 -7.086 1.00 0.00 C ATOM 0 H LEU A 112 -6.663 2.846 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.686 0.313 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.004 1.387 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.407 0.786 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.243 -0.992 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.628 -1.833 -5.480 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.606 -0.146 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.856 -0.501 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.010 -2.730 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -8.201 -1.424 -7.962 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.585 -1.828 -7.336 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.770 1.406 -8.012 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.845 1.212 -9.120 1.00 0.00 C ATOM 1732 C GLY A 113 -2.398 1.415 -8.699 1.00 0.00 C ATOM 1733 O GLY A 113 -1.542 0.610 -9.073 1.00 0.00 O ATOM 0 H GLY A 113 -5.358 2.231 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.967 0.206 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.090 1.908 -9.922 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.123 2.448 -7.900 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.788 2.712 -7.365 1.00 0.00 C ATOM 1739 C VAL A 114 -0.312 1.542 -6.484 1.00 0.00 C ATOM 1740 O VAL A 114 0.891 1.313 -6.347 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.789 4.075 -6.636 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.569 4.438 -6.022 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.157 5.226 -7.590 1.00 0.00 C ATOM 0 H VAL A 114 -2.824 3.127 -7.605 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.064 2.782 -8.177 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.530 3.958 -5.845 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.497 5.406 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.854 3.678 -5.294 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.322 4.488 -6.808 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.148 6.169 -7.043 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.432 5.271 -8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.152 5.054 -8.000 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.229 0.756 -5.914 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.898 -0.507 -5.278 1.00 0.00 C ATOM 1755 C ALA A 115 -0.792 -1.649 -6.295 1.00 0.00 C ATOM 1756 O ALA A 115 0.142 -2.438 -6.190 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.920 -0.811 -4.185 1.00 0.00 C ATOM 0 H ALA A 115 -2.223 0.985 -5.884 1.00 0.00 H new ATOM 0 HA ALA A 115 0.087 -0.418 -4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.671 -1.759 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.904 -0.015 -3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.915 -0.876 -4.625 1.00 0.00 H new ATOM 1763 N THR A 116 -1.683 -1.749 -7.287 1.00 0.00 N ATOM 1764 CA THR A 116 -1.728 -2.897 -8.196 1.00 0.00 C ATOM 1765 C THR A 116 -0.403 -3.028 -8.976 1.00 0.00 C ATOM 1766 O THR A 116 0.138 -4.134 -9.098 1.00 0.00 O ATOM 1767 CB THR A 116 -2.937 -2.803 -9.156 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.143 -2.369 -8.555 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.293 -4.189 -9.696 1.00 0.00 C ATOM 0 H THR A 116 -2.390 -1.040 -7.481 1.00 0.00 H new ATOM 0 HA THR A 116 -1.856 -3.798 -7.596 1.00 0.00 H new ATOM 0 HB THR A 116 -2.608 -2.086 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.005 -1.491 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.146 -4.109 -10.370 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.440 -4.599 -10.237 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.548 -4.848 -8.866 1.00 0.00 H new ATOM 1777 N CYS A 117 0.145 -1.910 -9.479 1.00 0.00 N ATOM 1778 CA CYS A 117 1.410 -1.899 -10.218 1.00 0.00 C ATOM 1779 C CYS A 117 2.544 -2.393 -9.318 1.00 0.00 C ATOM 1780 O CYS A 117 3.302 -3.298 -9.675 1.00 0.00 O ATOM 1781 CB CYS A 117 1.726 -0.485 -10.732 1.00 0.00 C ATOM 1782 SG CYS A 117 1.728 0.814 -9.461 1.00 0.00 S ATOM 0 H CYS A 117 -0.281 -0.988 -9.382 1.00 0.00 H new ATOM 0 HA CYS A 117 1.316 -2.565 -11.075 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.703 -0.501 -11.215 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.996 -0.222 -11.497 1.00 0.00 H new ATOM 1787 N PHE A 118 2.630 -1.776 -8.141 1.00 0.00 N ATOM 1788 CA PHE A 118 3.644 -1.956 -7.132 1.00 0.00 C ATOM 1789 C PHE A 118 3.647 -3.397 -6.647 1.00 0.00 C ATOM 1790 O PHE A 118 4.707 -4.013 -6.651 1.00 0.00 O ATOM 1791 CB PHE A 118 3.368 -0.943 -6.020 1.00 0.00 C ATOM 1792 CG PHE A 118 4.171 -1.119 -4.752 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.482 -0.613 -4.645 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.555 -1.722 -3.640 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.149 -0.647 -3.408 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.229 -1.781 -2.414 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.510 -1.220 -2.294 1.00 0.00 C ATOM 0 H PHE A 118 1.934 -1.087 -7.857 1.00 0.00 H new ATOM 0 HA PHE A 118 4.644 -1.774 -7.525 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.557 0.057 -6.411 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.309 -0.991 -5.766 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.974 -0.199 -5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.563 -2.139 -3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.144 -0.237 -3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.764 -2.257 -1.563 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.010 -1.228 -1.337 1.00 0.00 H new ATOM 1807 N LYS A 119 2.484 -3.973 -6.312 1.00 0.00 N ATOM 1808 CA LYS A 119 2.348 -5.369 -5.899 1.00 0.00 C ATOM 1809 C LYS A 119 3.104 -6.268 -6.868 1.00 0.00 C ATOM 1810 O LYS A 119 3.948 -7.052 -6.446 1.00 0.00 O ATOM 1811 CB LYS A 119 0.863 -5.772 -5.823 1.00 0.00 C ATOM 1812 CG LYS A 119 0.692 -7.195 -5.250 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.451 -7.999 -5.880 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.118 -8.450 -7.313 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.099 -9.423 -7.844 1.00 0.00 N ATOM 0 H LYS A 119 1.597 -3.469 -6.322 1.00 0.00 H new ATOM 0 HA LYS A 119 2.777 -5.487 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.323 -5.060 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.420 -5.724 -6.818 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.624 -7.743 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.520 -7.123 -4.176 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.661 -8.874 -5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.357 -7.393 -5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.086 -7.578 -7.966 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.876 -8.897 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.830 -9.695 -8.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.113 -10.268 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.045 -8.991 -7.857 1.00 0.00 H new ATOM 1829 N ALA A 120 2.816 -6.162 -8.163 1.00 0.00 N ATOM 1830 CA ALA A 120 3.445 -7.014 -9.156 1.00 0.00 C ATOM 1831 C ALA A 120 4.963 -6.822 -9.211 1.00 0.00 C ATOM 1832 O ALA A 120 5.676 -7.784 -9.479 1.00 0.00 O ATOM 1833 CB ALA A 120 2.815 -6.727 -10.507 1.00 0.00 C ATOM 0 H ALA A 120 2.149 -5.491 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 120 3.280 -8.055 -8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.277 -7.359 -11.265 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.746 -6.936 -10.462 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.969 -5.679 -10.765 1.00 0.00 H new ATOM 1839 N GLU A 121 5.475 -5.621 -8.957 1.00 0.00 N ATOM 1840 CA GLU A 121 6.906 -5.365 -8.804 1.00 0.00 C ATOM 1841 C GLU A 121 7.469 -6.103 -7.593 1.00 0.00 C ATOM 1842 O GLU A 121 8.520 -6.718 -7.725 1.00 0.00 O ATOM 1843 CB GLU A 121 7.212 -3.865 -8.726 1.00 0.00 C ATOM 1844 CG GLU A 121 6.786 -3.115 -9.993 1.00 0.00 C ATOM 1845 CD GLU A 121 7.859 -3.119 -11.087 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.579 -4.130 -11.254 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.941 -2.133 -11.859 1.00 0.00 O ATOM 0 H GLU A 121 4.900 -4.785 -8.850 1.00 0.00 H new ATOM 0 HA GLU A 121 7.401 -5.750 -9.696 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.700 -3.437 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.281 -3.723 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.875 -3.566 -10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.545 -2.084 -9.733 1.00 0.00 H new ATOM 1854 N ILE A 122 6.775 -6.106 -6.451 1.00 0.00 N ATOM 1855 CA ILE A 122 7.191 -6.870 -5.268 1.00 0.00 C ATOM 1856 C ILE A 122 7.307 -8.351 -5.650 1.00 0.00 C ATOM 1857 O ILE A 122 8.318 -8.989 -5.361 1.00 0.00 O ATOM 1858 CB ILE A 122 6.223 -6.656 -4.075 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.834 -5.190 -3.817 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.768 -7.225 -2.765 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.991 -4.182 -3.886 1.00 0.00 C ATOM 0 H ILE A 122 5.911 -5.581 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 122 8.164 -6.510 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 122 5.331 -7.199 -4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.076 -4.899 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.373 -5.122 -2.832 1.00 0.00 H new ATOM 0 HG21 ILE A 122 6.050 -7.047 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.932 -8.297 -2.874 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.712 -6.737 -2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.612 -3.179 -3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.742 -4.439 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.441 -4.212 -4.878 1.00 0.00 H new ATOM 1873 N HIS A 123 6.297 -8.884 -6.343 1.00 0.00 N ATOM 1874 CA HIS A 123 6.336 -10.237 -6.897 1.00 0.00 C ATOM 1875 C HIS A 123 7.553 -10.432 -7.818 1.00 0.00 C ATOM 1876 O HIS A 123 8.259 -11.432 -7.693 1.00 0.00 O ATOM 1877 CB HIS A 123 5.044 -10.562 -7.662 1.00 0.00 C ATOM 1878 CG HIS A 123 3.806 -10.812 -6.840 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.932 -11.858 -7.033 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.284 -10.017 -5.854 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.900 -11.689 -6.197 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.054 -10.567 -5.478 1.00 0.00 N ATOM 0 H HIS A 123 5.428 -8.387 -6.535 1.00 0.00 H new ATOM 0 HA HIS A 123 6.426 -10.925 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.837 -9.737 -8.343 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.227 -11.444 -8.276 1.00 0.00 H new ATOM 0 HD1 HIS A 123 3.050 -12.625 -7.695 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.739 -9.128 -5.442 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.060 -12.363 -6.113 1.00 0.00 H new ATOM 1890 N LYS A 124 7.814 -9.546 -8.788 1.00 0.00 N ATOM 1891 CA LYS A 124 8.958 -9.633 -9.694 1.00 0.00 C ATOM 1892 C LYS A 124 10.295 -9.609 -8.954 1.00 0.00 C ATOM 1893 O LYS A 124 11.211 -10.342 -9.312 1.00 0.00 O ATOM 1894 CB LYS A 124 8.863 -8.463 -10.683 1.00 0.00 C ATOM 1895 CG LYS A 124 8.137 -8.861 -11.975 1.00 0.00 C ATOM 1896 CD LYS A 124 6.935 -8.023 -12.449 1.00 0.00 C ATOM 1897 CE LYS A 124 7.113 -6.504 -12.472 1.00 0.00 C ATOM 1898 NZ LYS A 124 8.255 -6.047 -13.281 1.00 0.00 N ATOM 0 H LYS A 124 7.222 -8.734 -8.965 1.00 0.00 H new ATOM 0 HA LYS A 124 8.923 -10.588 -10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.337 -7.632 -10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.866 -8.110 -10.924 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.874 -8.862 -12.778 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.794 -9.889 -11.856 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.671 -8.348 -13.455 1.00 0.00 H new ATOM 0 HD3 LYS A 124 6.086 -8.255 -11.806 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.202 -6.048 -12.858 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.239 -6.148 -11.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.724 -5.252 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.932 -6.828 -13.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.917 -5.738 -14.215 1.00 0.00 H new ATOM 1912 N LEU A 125 10.413 -8.760 -7.940 1.00 0.00 N ATOM 1913 CA LEU A 125 11.537 -8.690 -7.006 1.00 0.00 C ATOM 1914 C LEU A 125 11.651 -9.950 -6.134 1.00 0.00 C ATOM 1915 O LEU A 125 12.643 -10.102 -5.428 1.00 0.00 O ATOM 1916 CB LEU A 125 11.388 -7.436 -6.119 1.00 0.00 C ATOM 1917 CG LEU A 125 11.682 -6.108 -6.841 1.00 0.00 C ATOM 1918 CD1 LEU A 125 11.013 -4.920 -6.144 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.192 -5.843 -6.897 1.00 0.00 C ATOM 0 H LEU A 125 9.694 -8.067 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 125 12.455 -8.626 -7.591 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.373 -7.404 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.059 -7.528 -5.265 1.00 0.00 H new ATOM 0 HG LEU A 125 11.277 -6.206 -7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.245 -4.003 -6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.933 -5.068 -6.128 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.383 -4.842 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.377 -4.900 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.590 -5.788 -5.884 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.684 -6.653 -7.436 1.00 0.00 H new ATOM 1931 N ASN A 126 10.681 -10.869 -6.190 1.00 0.00 N ATOM 1932 CA ASN A 126 10.559 -12.060 -5.348 1.00 0.00 C ATOM 1933 C ASN A 126 10.461 -11.704 -3.856 1.00 0.00 C ATOM 1934 O ASN A 126 10.891 -12.467 -2.990 1.00 0.00 O ATOM 1935 CB ASN A 126 11.658 -13.089 -5.681 1.00 0.00 C ATOM 1936 CG ASN A 126 11.284 -14.496 -5.227 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.131 -14.908 -5.337 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.251 -15.307 -4.830 1.00 0.00 N ATOM 0 H ASN A 126 9.918 -10.796 -6.863 1.00 0.00 H new ATOM 0 HA ASN A 126 9.613 -12.548 -5.580 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.838 -13.091 -6.756 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.591 -12.790 -5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.042 -16.282 -4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.205 -14.958 -4.741 1.00 0.00 H new ATOM 1945 N TRP A 127 9.967 -10.501 -3.544 1.00 0.00 N ATOM 1946 CA TRP A 127 9.828 -9.938 -2.202 1.00 0.00 C ATOM 1947 C TRP A 127 8.461 -10.246 -1.561 1.00 0.00 C ATOM 1948 O TRP A 127 8.258 -9.903 -0.394 1.00 0.00 O ATOM 1949 CB TRP A 127 9.985 -8.411 -2.286 1.00 0.00 C ATOM 1950 CG TRP A 127 11.319 -7.772 -2.522 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.496 -8.360 -2.834 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.579 -6.338 -2.536 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.480 -7.391 -2.934 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.962 -6.120 -2.791 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.757 -5.200 -2.401 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.502 -4.826 -2.881 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.281 -3.900 -2.506 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.650 -3.718 -2.752 1.00 0.00 C ATOM 0 H TRP A 127 9.635 -9.860 -4.265 1.00 0.00 H new ATOM 0 HA TRP A 127 10.599 -10.394 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.325 -8.068 -3.082 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.598 -8.001 -1.353 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.645 -9.419 -2.982 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.467 -7.592 -3.094 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.702 -5.330 -2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.560 -4.686 -3.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.632 -3.044 -2.398 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.051 -2.719 -2.843 1.00 0.00 H new ATOM 1969 N ALA A 128 7.503 -10.819 -2.294 1.00 0.00 N ATOM 1970 CA ALA A 128 6.184 -11.160 -1.770 1.00 0.00 C ATOM 1971 C ALA A 128 6.290 -12.484 -1.041 1.00 0.00 C ATOM 1972 O ALA A 128 6.827 -13.450 -1.622 1.00 0.00 O ATOM 1973 CB ALA A 128 5.152 -11.237 -2.901 1.00 0.00 C ATOM 0 H ALA A 128 7.625 -11.060 -3.277 1.00 0.00 H new ATOM 0 HA ALA A 128 5.847 -10.386 -1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.177 -11.492 -2.487 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.091 -10.272 -3.404 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.453 -12.001 -3.617 1.00 0.00 H new TER 1979 ALA A 128