USER MOD reduce.3.24.130724 H: found=0, std=0, add=857, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 857 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 ASN : amide:sc= -1.51! C(o=-1.5!,f=-3.6!) USER MOD Set 1.2: A 84 ASN : amide:sc=0.000255 X(o=-1.5,f=-1.5) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 30:sc= -0.0408 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.996 F(o=-2.3!,f=-1) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.48) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -2.15! C(o=-2.2!,f=-3.9!) USER MOD Single : A 32 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.99!) USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00097 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0671 F(o=-0.74,f=-0.067) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -6.06! C(o=-6.1!,f=-8.2!) USER MOD Single : A 67 MET CE :methyl -138:sc= -2.3 (180deg=-6.78!) USER MOD Single : A 73 ASN :FLIP amide:sc= -0.339 F(o=-2.1,f=-0.34) USER MOD Single : A 89 MET CE :methyl 179:sc= 0 (180deg=-0.000976) USER MOD Single : A 92 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0499) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.3!) USER MOD Single : A 100 ASN : amide:sc= -0.859 X(o=-0.86,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.394 -13.674 2.510 1.00 0.00 N ATOM 2 CA MET A 1 -8.490 -13.411 3.667 1.00 0.00 C ATOM 3 C MET A 1 -7.111 -12.963 3.173 1.00 0.00 C ATOM 4 O MET A 1 -6.337 -13.750 2.666 1.00 0.00 O ATOM 5 CB MET A 1 -8.388 -14.749 4.400 1.00 0.00 C ATOM 6 CG MET A 1 -7.935 -14.511 5.841 1.00 0.00 C ATOM 7 SD MET A 1 -6.445 -15.483 6.174 1.00 0.00 S ATOM 8 CE MET A 1 -6.972 -16.170 7.762 1.00 0.00 C ATOM 0 H1 MET A 1 -10.326 -13.977 2.859 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.501 -12.805 1.948 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.987 -14.423 1.915 1.00 0.00 H new ATOM 0 HA MET A 1 -8.867 -12.618 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.353 -15.255 4.390 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.681 -15.402 3.889 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.734 -13.452 6.000 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.728 -14.792 6.534 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.187 -16.815 8.158 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.163 -15.358 8.464 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.883 -16.751 7.622 1.00 0.00 H new ATOM 20 N ARG A 2 -6.798 -11.704 3.317 1.00 0.00 N ATOM 21 CA ARG A 2 -5.469 -11.206 2.858 1.00 0.00 C ATOM 22 C ARG A 2 -5.329 -9.713 3.170 1.00 0.00 C ATOM 23 O ARG A 2 -6.199 -9.110 3.764 1.00 0.00 O ATOM 24 CB ARG A 2 -5.458 -11.441 1.347 1.00 0.00 C ATOM 25 CG ARG A 2 -4.046 -11.828 0.902 1.00 0.00 C ATOM 26 CD ARG A 2 -4.068 -13.231 0.292 1.00 0.00 C ATOM 27 NE ARG A 2 -3.819 -13.019 -1.161 1.00 0.00 N ATOM 28 CZ ARG A 2 -4.797 -13.145 -2.016 1.00 0.00 C ATOM 29 NH1 ARG A 2 -5.700 -14.069 -1.842 1.00 0.00 N ATOM 30 NH2 ARG A 2 -4.871 -12.345 -3.044 1.00 0.00 N ATOM 0 H ARG A 2 -7.405 -10.998 3.733 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.643 -11.714 3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.163 -12.231 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.781 -10.540 0.826 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.674 -11.109 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.365 -11.801 1.753 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.302 -13.867 0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.027 -13.721 0.462 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.884 -12.775 -1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.642 -14.694 -1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -6.464 -14.167 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.165 -11.622 -3.179 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.635 -12.443 -3.713 1.00 0.00 H new ATOM 44 N ARG A 3 -4.239 -9.114 2.773 1.00 0.00 N ATOM 45 CA ARG A 3 -4.046 -7.660 3.049 1.00 0.00 C ATOM 46 C ARG A 3 -3.815 -6.899 1.741 1.00 0.00 C ATOM 47 O ARG A 3 -3.239 -7.417 0.804 1.00 0.00 O ATOM 48 CB ARG A 3 -2.808 -7.580 3.947 1.00 0.00 C ATOM 49 CG ARG A 3 -1.732 -8.541 3.433 1.00 0.00 C ATOM 50 CD ARG A 3 -0.353 -8.059 3.892 1.00 0.00 C ATOM 51 NE ARG A 3 -0.308 -8.357 5.350 1.00 0.00 N ATOM 52 CZ ARG A 3 0.328 -9.413 5.781 1.00 0.00 C ATOM 53 NH1 ARG A 3 0.070 -10.586 5.268 1.00 0.00 N ATOM 54 NH2 ARG A 3 1.220 -9.296 6.727 1.00 0.00 N ATOM 0 H ARG A 3 -3.475 -9.566 2.271 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.919 -7.213 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -2.422 -6.561 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -3.075 -7.833 4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.920 -9.547 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.767 -8.594 2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.444 -8.577 3.358 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -0.224 -6.993 3.702 1.00 0.00 H new ATOM 0 HE ARG A 3 -0.774 -7.736 6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.629 -10.678 4.530 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.567 -11.411 5.605 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.420 -8.380 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.717 -10.120 7.064 1.00 0.00 H new ATOM 68 N TYR A 4 -4.269 -5.677 1.664 1.00 0.00 N ATOM 69 CA TYR A 4 -4.085 -4.892 0.418 1.00 0.00 C ATOM 70 C TYR A 4 -3.640 -3.470 0.755 1.00 0.00 C ATOM 71 O TYR A 4 -3.723 -3.034 1.885 1.00 0.00 O ATOM 72 CB TYR A 4 -5.460 -4.879 -0.236 1.00 0.00 C ATOM 73 CG TYR A 4 -5.896 -6.295 -0.523 1.00 0.00 C ATOM 74 CD1 TYR A 4 -6.510 -7.057 0.479 1.00 0.00 C ATOM 75 CD2 TYR A 4 -5.684 -6.849 -1.791 1.00 0.00 C ATOM 76 CE1 TYR A 4 -6.913 -8.371 0.211 1.00 0.00 C ATOM 77 CE2 TYR A 4 -6.085 -8.163 -2.058 1.00 0.00 C ATOM 78 CZ TYR A 4 -6.701 -8.924 -1.058 1.00 0.00 C ATOM 79 OH TYR A 4 -7.097 -10.220 -1.320 1.00 0.00 O ATOM 0 H TYR A 4 -4.760 -5.191 2.414 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.323 -5.317 -0.235 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.181 -4.391 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -5.429 -4.303 -1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.673 -6.631 1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -5.211 -6.262 -2.564 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -7.388 -8.958 0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -5.919 -8.590 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.876 -10.442 -0.768 1.00 0.00 H new ATOM 89 N GLU A 5 -3.173 -2.744 -0.218 1.00 0.00 N ATOM 90 CA GLU A 5 -2.729 -1.348 0.048 1.00 0.00 C ATOM 91 C GLU A 5 -3.713 -0.368 -0.589 1.00 0.00 C ATOM 92 O GLU A 5 -4.143 -0.545 -1.711 1.00 0.00 O ATOM 93 CB GLU A 5 -1.354 -1.235 -0.609 1.00 0.00 C ATOM 94 CG GLU A 5 -0.461 -2.378 -0.124 1.00 0.00 C ATOM 95 CD GLU A 5 0.209 -3.049 -1.325 1.00 0.00 C ATOM 96 OE1 GLU A 5 -0.475 -3.276 -2.310 1.00 0.00 O ATOM 97 OE2 GLU A 5 1.394 -3.324 -1.241 1.00 0.00 O ATOM 0 H GLU A 5 -3.079 -3.055 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 5 -2.685 -1.117 1.112 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.453 -1.272 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.900 -0.275 -0.363 1.00 0.00 H new ATOM 0 HG2 GLU A 5 0.296 -1.996 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -1.054 -3.107 0.429 1.00 0.00 H new ATOM 104 N VAL A 6 -4.084 0.657 0.124 1.00 0.00 N ATOM 105 CA VAL A 6 -5.053 1.641 -0.435 1.00 0.00 C ATOM 106 C VAL A 6 -4.326 2.867 -0.990 1.00 0.00 C ATOM 107 O VAL A 6 -3.518 3.479 -0.321 1.00 0.00 O ATOM 108 CB VAL A 6 -5.937 2.034 0.748 1.00 0.00 C ATOM 109 CG1 VAL A 6 -6.840 3.202 0.346 1.00 0.00 C ATOM 110 CG2 VAL A 6 -6.801 0.838 1.153 1.00 0.00 C ATOM 0 H VAL A 6 -3.759 0.857 1.070 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.628 1.223 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.310 2.334 1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.470 3.482 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.225 4.053 0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.469 2.904 -0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.433 1.115 1.997 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.428 0.541 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.158 0.005 1.439 1.00 0.00 H new ATOM 120 N ASN A 7 -4.616 3.236 -2.208 1.00 0.00 N ATOM 121 CA ASN A 7 -3.954 4.425 -2.809 1.00 0.00 C ATOM 122 C ASN A 7 -5.011 5.470 -3.178 1.00 0.00 C ATOM 123 O ASN A 7 -5.697 5.349 -4.174 1.00 0.00 O ATOM 124 CB ASN A 7 -3.255 3.893 -4.061 1.00 0.00 C ATOM 125 CG ASN A 7 -2.915 5.057 -4.991 1.00 0.00 C ATOM 126 OD1 ASN A 7 -2.788 6.255 -4.493 1.00 0.00 O flip ATOM 127 ND2 ASN A 7 -2.761 4.874 -6.182 1.00 0.00 N flip ATOM 0 H ASN A 7 -5.286 2.762 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.251 4.907 -2.129 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.346 3.359 -3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.900 3.180 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.861 3.936 -6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.532 5.658 -6.793 1.00 0.00 H new ATOM 134 N ILE A 8 -5.153 6.492 -2.379 1.00 0.00 N ATOM 135 CA ILE A 8 -6.174 7.537 -2.681 1.00 0.00 C ATOM 136 C ILE A 8 -5.515 8.916 -2.796 1.00 0.00 C ATOM 137 O ILE A 8 -4.708 9.300 -1.972 1.00 0.00 O ATOM 138 CB ILE A 8 -7.130 7.505 -1.489 1.00 0.00 C ATOM 139 CG1 ILE A 8 -7.636 6.076 -1.282 1.00 0.00 C ATOM 140 CG2 ILE A 8 -8.316 8.431 -1.758 1.00 0.00 C ATOM 141 CD1 ILE A 8 -8.227 5.551 -2.590 1.00 0.00 C ATOM 0 H ILE A 8 -4.608 6.649 -1.531 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.683 7.351 -3.627 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.605 7.840 -0.594 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.819 5.433 -0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.391 6.056 -0.496 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -8.997 8.407 -0.907 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.956 9.449 -1.906 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.842 8.098 -2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.588 4.533 -2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.056 6.189 -2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.459 5.556 -3.364 1.00 0.00 H new ATOM 153 N VAL A 9 -5.863 9.667 -3.807 1.00 0.00 N ATOM 154 CA VAL A 9 -5.268 11.025 -3.968 1.00 0.00 C ATOM 155 C VAL A 9 -6.343 12.088 -3.708 1.00 0.00 C ATOM 156 O VAL A 9 -7.344 12.154 -4.393 1.00 0.00 O ATOM 157 CB VAL A 9 -4.768 11.075 -5.417 1.00 0.00 C ATOM 158 CG1 VAL A 9 -5.934 11.355 -6.369 1.00 0.00 C ATOM 159 CG2 VAL A 9 -3.723 12.184 -5.556 1.00 0.00 C ATOM 0 H VAL A 9 -6.533 9.399 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.456 11.219 -3.267 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.323 10.113 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.566 11.388 -7.395 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.678 10.564 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.389 12.313 -6.115 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.366 12.221 -6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.172 13.142 -5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.885 11.980 -4.889 1.00 0.00 H new ATOM 169 N LEU A 10 -6.153 12.908 -2.712 1.00 0.00 N ATOM 170 CA LEU A 10 -7.177 13.949 -2.404 1.00 0.00 C ATOM 171 C LEU A 10 -6.664 15.342 -2.774 1.00 0.00 C ATOM 172 O LEU A 10 -5.477 15.605 -2.754 1.00 0.00 O ATOM 173 CB LEU A 10 -7.400 13.847 -0.895 1.00 0.00 C ATOM 174 CG LEU A 10 -8.381 12.712 -0.601 1.00 0.00 C ATOM 175 CD1 LEU A 10 -7.694 11.652 0.262 1.00 0.00 C ATOM 176 CD2 LEU A 10 -9.594 13.271 0.147 1.00 0.00 C ATOM 0 H LEU A 10 -5.337 12.904 -2.100 1.00 0.00 H new ATOM 0 HA LEU A 10 -8.096 13.795 -2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.453 13.664 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.791 14.789 -0.510 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.706 12.260 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.394 10.843 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.829 11.255 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.368 12.102 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.295 12.464 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.267 13.722 1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.084 14.026 -0.468 1.00 0.00 H new ATOM 188 N ASN A 11 -7.551 16.238 -3.110 1.00 0.00 N ATOM 189 CA ASN A 11 -7.120 17.615 -3.478 1.00 0.00 C ATOM 190 C ASN A 11 -6.354 18.257 -2.316 1.00 0.00 C ATOM 191 O ASN A 11 -6.927 18.573 -1.294 1.00 0.00 O ATOM 192 CB ASN A 11 -8.417 18.380 -3.754 1.00 0.00 C ATOM 193 CG ASN A 11 -9.215 18.521 -2.456 1.00 0.00 C ATOM 194 OD1 ASN A 11 -9.724 17.548 -1.934 1.00 0.00 O ATOM 195 ND2 ASN A 11 -9.346 19.698 -1.910 1.00 0.00 N ATOM 0 H ASN A 11 -8.557 16.075 -3.145 1.00 0.00 H new ATOM 0 HA ASN A 11 -6.454 17.621 -4.341 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -8.190 19.365 -4.162 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.010 17.853 -4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -9.876 19.803 -1.045 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.919 20.514 -2.348 1.00 0.00 H new ATOM 202 N PRO A 12 -5.076 18.422 -2.518 1.00 0.00 N ATOM 203 CA PRO A 12 -4.211 19.028 -1.481 1.00 0.00 C ATOM 204 C PRO A 12 -4.330 20.552 -1.513 1.00 0.00 C ATOM 205 O PRO A 12 -3.346 21.265 -1.504 1.00 0.00 O ATOM 206 CB PRO A 12 -2.811 18.584 -1.883 1.00 0.00 C ATOM 207 CG PRO A 12 -2.881 18.328 -3.359 1.00 0.00 C ATOM 208 CD PRO A 12 -4.324 18.062 -3.719 1.00 0.00 C ATOM 0 HA PRO A 12 -4.475 18.724 -0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.074 19.353 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.514 17.685 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.502 19.187 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.258 17.475 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.635 18.660 -4.576 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.480 17.017 -3.986 1.00 0.00 H new ATOM 216 N ASN A 13 -5.530 21.051 -1.549 1.00 0.00 N ATOM 217 CA ASN A 13 -5.726 22.530 -1.580 1.00 0.00 C ATOM 218 C ASN A 13 -6.225 23.028 -0.221 1.00 0.00 C ATOM 219 O ASN A 13 -6.199 24.209 0.064 1.00 0.00 O ATOM 220 CB ASN A 13 -6.787 22.766 -2.655 1.00 0.00 C ATOM 221 CG ASN A 13 -6.893 24.264 -2.949 1.00 0.00 C ATOM 222 OD1 ASN A 13 -7.854 24.903 -2.572 1.00 0.00 O ATOM 223 ND2 ASN A 13 -5.936 24.856 -3.611 1.00 0.00 N ATOM 0 H ASN A 13 -6.388 20.500 -1.558 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.800 23.063 -1.794 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.526 22.224 -3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.750 22.381 -2.320 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.996 25.854 -3.811 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.128 24.320 -3.928 1.00 0.00 H new ATOM 230 N LEU A 14 -6.682 22.140 0.618 1.00 0.00 N ATOM 231 CA LEU A 14 -7.187 22.568 1.953 1.00 0.00 C ATOM 232 C LEU A 14 -6.081 23.260 2.750 1.00 0.00 C ATOM 233 O LEU A 14 -4.909 22.988 2.579 1.00 0.00 O ATOM 234 CB LEU A 14 -7.624 21.279 2.647 1.00 0.00 C ATOM 235 CG LEU A 14 -9.151 21.220 2.693 1.00 0.00 C ATOM 236 CD1 LEU A 14 -9.717 21.505 1.302 1.00 0.00 C ATOM 237 CD2 LEU A 14 -9.588 19.825 3.145 1.00 0.00 C ATOM 0 H LEU A 14 -6.728 21.137 0.437 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.005 23.283 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.232 20.414 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.217 21.241 3.657 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.524 21.967 3.394 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.806 21.463 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.403 22.497 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.347 20.759 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.676 19.778 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.215 19.081 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.185 19.621 4.137 1.00 0.00 H new ATOM 249 N ASP A 15 -6.453 24.156 3.620 1.00 0.00 N ATOM 250 CA ASP A 15 -5.435 24.879 4.437 1.00 0.00 C ATOM 251 C ASP A 15 -4.952 23.992 5.589 1.00 0.00 C ATOM 252 O ASP A 15 -5.317 22.838 5.691 1.00 0.00 O ATOM 253 CB ASP A 15 -6.162 26.110 4.974 1.00 0.00 C ATOM 254 CG ASP A 15 -7.365 25.670 5.811 1.00 0.00 C ATOM 255 OD1 ASP A 15 -7.154 25.217 6.923 1.00 0.00 O ATOM 256 OD2 ASP A 15 -8.477 25.792 5.324 1.00 0.00 O ATOM 0 H ASP A 15 -7.421 24.421 3.802 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.553 25.148 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.484 26.710 5.581 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.492 26.740 4.148 1.00 0.00 H new ATOM 261 N GLN A 16 -4.132 24.523 6.456 1.00 0.00 N ATOM 262 CA GLN A 16 -3.625 23.709 7.598 1.00 0.00 C ATOM 263 C GLN A 16 -4.776 23.329 8.531 1.00 0.00 C ATOM 264 O GLN A 16 -4.931 22.185 8.909 1.00 0.00 O ATOM 265 CB GLN A 16 -2.629 24.616 8.324 1.00 0.00 C ATOM 266 CG GLN A 16 -1.713 25.299 7.305 1.00 0.00 C ATOM 267 CD GLN A 16 -0.262 24.886 7.565 1.00 0.00 C ATOM 268 OE1 GLN A 16 0.255 25.092 8.646 1.00 0.00 O ATOM 269 NE2 GLN A 16 0.419 24.309 6.615 1.00 0.00 N ATOM 0 H GLN A 16 -3.792 25.484 6.423 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.164 22.779 7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.164 25.366 8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.035 24.031 9.026 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.006 25.020 6.293 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.813 26.382 7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.016 24.137 5.708 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.386 24.030 6.778 1.00 0.00 H new ATOM 278 N SER A 17 -5.586 24.281 8.907 1.00 0.00 N ATOM 279 CA SER A 17 -6.721 23.973 9.816 1.00 0.00 C ATOM 280 C SER A 17 -7.617 22.900 9.194 1.00 0.00 C ATOM 281 O SER A 17 -7.998 21.946 9.843 1.00 0.00 O ATOM 282 CB SER A 17 -7.482 25.289 9.968 1.00 0.00 C ATOM 283 OG SER A 17 -7.107 25.908 11.191 1.00 0.00 O ATOM 0 H SER A 17 -5.509 25.258 8.623 1.00 0.00 H new ATOM 0 HA SER A 17 -6.385 23.588 10.779 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.261 25.950 9.130 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.556 25.105 9.954 1.00 0.00 H new ATOM 0 HG SER A 17 -7.592 26.754 11.292 1.00 0.00 H new ATOM 289 N GLN A 18 -7.949 23.043 7.941 1.00 0.00 N ATOM 290 CA GLN A 18 -8.813 22.024 7.285 1.00 0.00 C ATOM 291 C GLN A 18 -8.065 20.694 7.200 1.00 0.00 C ATOM 292 O GLN A 18 -8.625 19.638 7.411 1.00 0.00 O ATOM 293 CB GLN A 18 -9.090 22.573 5.886 1.00 0.00 C ATOM 294 CG GLN A 18 -10.271 23.545 5.943 1.00 0.00 C ATOM 295 CD GLN A 18 -11.573 22.756 6.084 1.00 0.00 C ATOM 296 OE1 GLN A 18 -11.885 21.923 5.255 1.00 0.00 O ATOM 297 NE2 GLN A 18 -12.350 22.983 7.107 1.00 0.00 N ATOM 0 H GLN A 18 -7.660 23.819 7.345 1.00 0.00 H new ATOM 0 HA GLN A 18 -9.736 21.844 7.836 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.206 23.081 5.502 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.311 21.755 5.200 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -10.154 24.228 6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.298 24.154 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.087 23.682 7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.220 22.461 7.212 1.00 0.00 H new ATOM 306 N LEU A 19 -6.798 20.740 6.898 1.00 0.00 N ATOM 307 CA LEU A 19 -6.008 19.482 6.805 1.00 0.00 C ATOM 308 C LEU A 19 -6.105 18.705 8.121 1.00 0.00 C ATOM 309 O LEU A 19 -6.141 17.491 8.134 1.00 0.00 O ATOM 310 CB LEU A 19 -4.571 19.938 6.556 1.00 0.00 C ATOM 311 CG LEU A 19 -3.648 18.721 6.518 1.00 0.00 C ATOM 312 CD1 LEU A 19 -3.627 18.139 5.104 1.00 0.00 C ATOM 313 CD2 LEU A 19 -2.232 19.145 6.914 1.00 0.00 C ATOM 0 H LEU A 19 -6.275 21.596 6.711 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.368 18.821 6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.510 20.483 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.254 20.623 7.342 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.013 17.967 7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.968 17.271 5.078 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.635 17.838 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.262 18.892 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.572 18.278 6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.869 19.899 6.215 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.245 19.560 7.922 1.00 0.00 H new ATOM 325 N ALA A 20 -6.146 19.398 9.227 1.00 0.00 N ATOM 326 CA ALA A 20 -6.239 18.702 10.535 1.00 0.00 C ATOM 327 C ALA A 20 -7.519 17.864 10.597 1.00 0.00 C ATOM 328 O ALA A 20 -7.530 16.765 11.112 1.00 0.00 O ATOM 329 CB ALA A 20 -6.277 19.821 11.576 1.00 0.00 C ATOM 0 H ALA A 20 -6.119 20.416 9.278 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.406 18.020 10.702 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -6.346 19.388 12.574 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.368 20.418 11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -7.144 20.456 11.396 1.00 0.00 H new ATOM 335 N LEU A 21 -8.600 18.382 10.079 1.00 0.00 N ATOM 336 CA LEU A 21 -9.881 17.627 10.110 1.00 0.00 C ATOM 337 C LEU A 21 -9.746 16.302 9.346 1.00 0.00 C ATOM 338 O LEU A 21 -10.362 15.311 9.685 1.00 0.00 O ATOM 339 CB LEU A 21 -10.904 18.560 9.442 1.00 0.00 C ATOM 340 CG LEU A 21 -10.983 18.287 7.935 1.00 0.00 C ATOM 341 CD1 LEU A 21 -11.904 17.093 7.682 1.00 0.00 C ATOM 342 CD2 LEU A 21 -11.541 19.521 7.221 1.00 0.00 C ATOM 0 H LEU A 21 -8.649 19.299 9.635 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.183 17.360 11.123 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.885 18.416 9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.623 19.599 9.614 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.986 18.066 7.553 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.961 16.898 6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.508 16.214 8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.901 17.315 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -11.597 19.327 6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -12.538 19.742 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.886 20.373 7.402 1.00 0.00 H new ATOM 354 N GLU A 22 -8.949 16.286 8.314 1.00 0.00 N ATOM 355 CA GLU A 22 -8.777 15.027 7.522 1.00 0.00 C ATOM 356 C GLU A 22 -8.215 13.924 8.415 1.00 0.00 C ATOM 357 O GLU A 22 -8.646 12.788 8.365 1.00 0.00 O ATOM 358 CB GLU A 22 -7.776 15.357 6.412 1.00 0.00 C ATOM 359 CG GLU A 22 -8.057 16.748 5.844 1.00 0.00 C ATOM 360 CD GLU A 22 -7.499 16.843 4.423 1.00 0.00 C ATOM 361 OE1 GLU A 22 -6.308 16.638 4.259 1.00 0.00 O ATOM 362 OE2 GLU A 22 -8.274 17.121 3.521 1.00 0.00 O ATOM 0 H GLU A 22 -8.409 17.085 7.982 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.726 14.678 7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.760 15.315 6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -7.843 14.612 5.619 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.130 16.940 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.601 17.509 6.477 1.00 0.00 H new ATOM 369 N LYS A 23 -7.256 14.250 9.234 1.00 0.00 N ATOM 370 CA LYS A 23 -6.665 13.218 10.132 1.00 0.00 C ATOM 371 C LYS A 23 -7.770 12.574 10.968 1.00 0.00 C ATOM 372 O LYS A 23 -7.766 11.384 11.215 1.00 0.00 O ATOM 373 CB LYS A 23 -5.688 13.980 11.028 1.00 0.00 C ATOM 374 CG LYS A 23 -4.334 14.096 10.326 1.00 0.00 C ATOM 375 CD LYS A 23 -4.366 15.268 9.342 1.00 0.00 C ATOM 376 CE LYS A 23 -2.952 15.822 9.162 1.00 0.00 C ATOM 377 NZ LYS A 23 -2.473 15.239 7.877 1.00 0.00 N ATOM 0 H LYS A 23 -6.856 15.184 9.321 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.166 12.420 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.080 14.972 11.250 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.572 13.462 11.980 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.543 14.246 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.106 13.170 9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.764 14.940 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.030 16.049 9.712 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.956 16.911 9.124 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.306 15.534 9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.507 15.573 7.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.474 14.201 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.103 15.536 7.105 1.00 0.00 H new ATOM 391 N GLU A 24 -8.722 13.354 11.397 1.00 0.00 N ATOM 392 CA GLU A 24 -9.838 12.794 12.210 1.00 0.00 C ATOM 393 C GLU A 24 -10.809 12.025 11.310 1.00 0.00 C ATOM 394 O GLU A 24 -11.330 10.991 11.681 1.00 0.00 O ATOM 395 CB GLU A 24 -10.527 14.010 12.828 1.00 0.00 C ATOM 396 CG GLU A 24 -10.038 14.201 14.265 1.00 0.00 C ATOM 397 CD GLU A 24 -9.088 15.400 14.327 1.00 0.00 C ATOM 398 OE1 GLU A 24 -9.140 16.217 13.424 1.00 0.00 O ATOM 399 OE2 GLU A 24 -8.325 15.478 15.276 1.00 0.00 O ATOM 0 H GLU A 24 -8.776 14.357 11.220 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.488 12.096 12.970 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.312 14.901 12.238 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.608 13.873 12.816 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.886 14.361 14.931 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.528 13.301 14.609 1.00 0.00 H new ATOM 406 N ILE A 25 -11.057 12.523 10.129 1.00 0.00 N ATOM 407 CA ILE A 25 -11.994 11.828 9.205 1.00 0.00 C ATOM 408 C ILE A 25 -11.311 10.615 8.564 1.00 0.00 C ATOM 409 O ILE A 25 -11.880 9.546 8.477 1.00 0.00 O ATOM 410 CB ILE A 25 -12.334 12.876 8.147 1.00 0.00 C ATOM 411 CG1 ILE A 25 -13.179 13.982 8.783 1.00 0.00 C ATOM 412 CG2 ILE A 25 -13.118 12.219 7.014 1.00 0.00 C ATOM 413 CD1 ILE A 25 -14.457 13.378 9.368 1.00 0.00 C ATOM 0 H ILE A 25 -10.649 13.384 9.765 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.881 11.452 9.715 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.415 13.305 7.748 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -12.610 14.484 9.566 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.429 14.737 8.037 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.361 12.966 6.259 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -12.515 11.431 6.564 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.039 11.790 7.410 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -15.058 14.167 9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -15.028 12.897 8.574 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -14.196 12.640 10.126 1.00 0.00 H new ATOM 425 N ILE A 26 -10.096 10.774 8.112 1.00 0.00 N ATOM 426 CA ILE A 26 -9.382 9.630 7.474 1.00 0.00 C ATOM 427 C ILE A 26 -9.270 8.457 8.454 1.00 0.00 C ATOM 428 O ILE A 26 -9.373 7.308 8.071 1.00 0.00 O ATOM 429 CB ILE A 26 -7.996 10.175 7.126 1.00 0.00 C ATOM 430 CG1 ILE A 26 -7.312 9.232 6.131 1.00 0.00 C ATOM 431 CG2 ILE A 26 -7.148 10.281 8.395 1.00 0.00 C ATOM 432 CD1 ILE A 26 -7.026 7.888 6.807 1.00 0.00 C ATOM 0 H ILE A 26 -9.568 11.645 8.157 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.906 9.255 6.595 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.100 11.164 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.949 9.083 5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.382 9.676 5.775 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.162 10.670 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.633 10.954 9.102 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.044 9.294 8.847 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.540 7.220 6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.372 8.044 7.665 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.963 7.442 7.141 1.00 0.00 H new ATOM 444 N GLN A 27 -9.060 8.733 9.711 1.00 0.00 N ATOM 445 CA GLN A 27 -8.941 7.628 10.707 1.00 0.00 C ATOM 446 C GLN A 27 -10.245 6.826 10.769 1.00 0.00 C ATOM 447 O GLN A 27 -10.235 5.617 10.886 1.00 0.00 O ATOM 448 CB GLN A 27 -8.674 8.321 12.043 1.00 0.00 C ATOM 449 CG GLN A 27 -7.248 8.006 12.501 1.00 0.00 C ATOM 450 CD GLN A 27 -6.430 9.296 12.547 1.00 0.00 C ATOM 451 OE1 GLN A 27 -6.023 9.809 11.523 1.00 0.00 O ATOM 452 NE2 GLN A 27 -6.169 9.847 13.700 1.00 0.00 N ATOM 0 H GLN A 27 -8.966 9.674 10.093 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.149 6.926 10.448 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.805 9.398 11.940 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.391 7.983 12.791 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.266 7.539 13.486 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.785 7.293 11.819 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.510 9.417 14.560 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.624 10.708 13.742 1.00 0.00 H new ATOM 461 N ARG A 28 -11.366 7.488 10.690 1.00 0.00 N ATOM 462 CA ARG A 28 -12.667 6.762 10.743 1.00 0.00 C ATOM 463 C ARG A 28 -12.882 5.974 9.448 1.00 0.00 C ATOM 464 O ARG A 28 -13.482 4.917 9.443 1.00 0.00 O ATOM 465 CB ARG A 28 -13.724 7.858 10.882 1.00 0.00 C ATOM 466 CG ARG A 28 -13.827 8.292 12.344 1.00 0.00 C ATOM 467 CD ARG A 28 -14.464 9.682 12.419 1.00 0.00 C ATOM 468 NE ARG A 28 -15.929 9.430 12.504 1.00 0.00 N ATOM 469 CZ ARG A 28 -16.733 9.944 11.612 1.00 0.00 C ATOM 470 NH1 ARG A 28 -16.696 11.224 11.359 1.00 0.00 N ATOM 471 NH2 ARG A 28 -17.578 9.178 10.976 1.00 0.00 N ATOM 0 H ARG A 28 -11.438 8.501 10.591 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.710 6.046 11.564 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.461 8.711 10.257 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -14.689 7.492 10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.425 7.575 12.906 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.837 8.308 12.800 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -14.107 10.233 13.289 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -14.216 10.278 11.540 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.305 8.856 13.259 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.039 11.824 11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.324 11.625 10.662 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.610 8.178 11.176 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -18.206 9.579 10.279 1.00 0.00 H new ATOM 485 N ALA A 29 -12.400 6.486 8.348 1.00 0.00 N ATOM 486 CA ALA A 29 -12.578 5.777 7.056 1.00 0.00 C ATOM 487 C ALA A 29 -11.931 4.397 7.114 1.00 0.00 C ATOM 488 O ALA A 29 -12.434 3.444 6.553 1.00 0.00 O ATOM 489 CB ALA A 29 -11.883 6.658 6.019 1.00 0.00 C ATOM 0 H ALA A 29 -11.890 7.367 8.292 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.629 5.620 6.814 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -11.971 6.199 5.034 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.352 7.642 6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.829 6.762 6.278 1.00 0.00 H new ATOM 495 N LEU A 30 -10.831 4.268 7.801 1.00 0.00 N ATOM 496 CA LEU A 30 -10.192 2.926 7.892 1.00 0.00 C ATOM 497 C LEU A 30 -11.243 1.972 8.419 1.00 0.00 C ATOM 498 O LEU A 30 -11.413 0.865 7.945 1.00 0.00 O ATOM 499 CB LEU A 30 -9.034 3.065 8.895 1.00 0.00 C ATOM 500 CG LEU A 30 -8.273 4.383 8.681 1.00 0.00 C ATOM 501 CD1 LEU A 30 -6.813 4.199 9.098 1.00 0.00 C ATOM 502 CD2 LEU A 30 -8.328 4.787 7.207 1.00 0.00 C ATOM 0 H LEU A 30 -10.353 5.020 8.296 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.815 2.559 6.937 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.423 3.027 9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.350 2.224 8.784 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.736 5.164 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.271 5.133 8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.768 3.919 10.150 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.358 3.414 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.786 5.722 7.066 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.871 4.007 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.367 4.920 6.905 1.00 0.00 H new ATOM 514 N GLU A 31 -11.968 2.429 9.390 1.00 0.00 N ATOM 515 CA GLU A 31 -13.052 1.608 9.973 1.00 0.00 C ATOM 516 C GLU A 31 -14.184 1.466 8.955 1.00 0.00 C ATOM 517 O GLU A 31 -14.797 0.424 8.837 1.00 0.00 O ATOM 518 CB GLU A 31 -13.522 2.378 11.207 1.00 0.00 C ATOM 519 CG GLU A 31 -12.476 2.254 12.317 1.00 0.00 C ATOM 520 CD GLU A 31 -12.447 0.814 12.830 1.00 0.00 C ATOM 521 OE1 GLU A 31 -13.119 -0.018 12.242 1.00 0.00 O ATOM 522 OE2 GLU A 31 -11.754 0.566 13.803 1.00 0.00 O ATOM 0 H GLU A 31 -11.854 3.351 9.811 1.00 0.00 H new ATOM 0 HA GLU A 31 -12.724 0.602 10.236 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.678 3.427 10.956 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -14.480 1.986 11.550 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.494 2.537 11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.713 2.937 13.133 1.00 0.00 H new ATOM 529 N ASN A 32 -14.460 2.505 8.206 1.00 0.00 N ATOM 530 CA ASN A 32 -15.538 2.414 7.193 1.00 0.00 C ATOM 531 C ASN A 32 -15.247 1.234 6.276 1.00 0.00 C ATOM 532 O ASN A 32 -16.131 0.516 5.855 1.00 0.00 O ATOM 533 CB ASN A 32 -15.467 3.728 6.416 1.00 0.00 C ATOM 534 CG ASN A 32 -16.772 3.938 5.646 1.00 0.00 C ATOM 535 OD1 ASN A 32 -17.335 3.001 5.116 1.00 0.00 O ATOM 536 ND2 ASN A 32 -17.280 5.137 5.559 1.00 0.00 N ATOM 0 H ASN A 32 -13.984 3.405 8.257 1.00 0.00 H new ATOM 0 HA ASN A 32 -16.525 2.264 7.630 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.299 4.559 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.624 3.709 5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -18.149 5.287 5.046 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.808 5.924 6.004 1.00 0.00 H new ATOM 543 N TYR A 33 -13.995 1.030 5.974 1.00 0.00 N ATOM 544 CA TYR A 33 -13.595 -0.084 5.108 1.00 0.00 C ATOM 545 C TYR A 33 -13.719 -1.414 5.860 1.00 0.00 C ATOM 546 O TYR A 33 -13.423 -2.468 5.331 1.00 0.00 O ATOM 547 CB TYR A 33 -12.139 0.231 4.801 1.00 0.00 C ATOM 548 CG TYR A 33 -11.907 0.128 3.320 1.00 0.00 C ATOM 549 CD1 TYR A 33 -12.384 1.135 2.479 1.00 0.00 C ATOM 550 CD2 TYR A 33 -11.221 -0.968 2.788 1.00 0.00 C ATOM 551 CE1 TYR A 33 -12.177 1.050 1.100 1.00 0.00 C ATOM 552 CE2 TYR A 33 -11.012 -1.054 1.407 1.00 0.00 C ATOM 553 CZ TYR A 33 -11.490 -0.046 0.562 1.00 0.00 C ATOM 554 OH TYR A 33 -11.285 -0.130 -0.800 1.00 0.00 O ATOM 0 H TYR A 33 -13.224 1.609 6.305 1.00 0.00 H new ATOM 0 HA TYR A 33 -14.209 -0.185 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -11.891 1.233 5.150 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -11.486 -0.462 5.331 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -12.913 1.980 2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -10.854 -1.746 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.546 1.829 0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.482 -1.899 0.993 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.792 -0.951 -1.007 1.00 0.00 H new ATOM 564 N GLY A 34 -14.149 -1.372 7.095 1.00 0.00 N ATOM 565 CA GLY A 34 -14.282 -2.625 7.879 1.00 0.00 C ATOM 566 C GLY A 34 -12.937 -3.349 7.891 1.00 0.00 C ATOM 567 O GLY A 34 -12.860 -4.541 8.112 1.00 0.00 O ATOM 0 H GLY A 34 -14.413 -0.520 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.598 -2.400 8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -15.049 -3.263 7.441 1.00 0.00 H new ATOM 571 N ALA A 35 -11.874 -2.630 7.653 1.00 0.00 N ATOM 572 CA ALA A 35 -10.527 -3.267 7.646 1.00 0.00 C ATOM 573 C ALA A 35 -9.687 -2.742 8.811 1.00 0.00 C ATOM 574 O ALA A 35 -9.878 -1.637 9.277 1.00 0.00 O ATOM 575 CB ALA A 35 -9.904 -2.860 6.311 1.00 0.00 C ATOM 0 H ALA A 35 -11.881 -1.628 7.463 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.582 -4.350 7.758 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.906 -3.291 6.229 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.526 -3.225 5.493 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.835 -1.773 6.258 1.00 0.00 H new ATOM 581 N ARG A 36 -8.754 -3.522 9.282 1.00 0.00 N ATOM 582 CA ARG A 36 -7.899 -3.060 10.409 1.00 0.00 C ATOM 583 C ARG A 36 -6.539 -2.623 9.867 1.00 0.00 C ATOM 584 O ARG A 36 -5.977 -3.253 8.996 1.00 0.00 O ATOM 585 CB ARG A 36 -7.730 -4.260 11.339 1.00 0.00 C ATOM 586 CG ARG A 36 -8.979 -5.151 11.305 1.00 0.00 C ATOM 587 CD ARG A 36 -9.355 -5.557 12.731 1.00 0.00 C ATOM 588 NE ARG A 36 -10.300 -4.503 13.193 1.00 0.00 N ATOM 589 CZ ARG A 36 -10.309 -4.138 14.446 1.00 0.00 C ATOM 590 NH1 ARG A 36 -9.186 -4.007 15.095 1.00 0.00 N ATOM 591 NH2 ARG A 36 -11.443 -3.906 15.049 1.00 0.00 N ATOM 0 H ARG A 36 -8.547 -4.459 8.935 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.344 -2.215 10.934 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.856 -4.838 11.040 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.551 -3.915 12.357 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.807 -4.618 10.837 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.789 -6.038 10.701 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.821 -6.542 12.751 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.475 -5.607 13.372 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.940 -4.066 12.530 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.300 -4.190 14.624 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.193 -3.722 16.074 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.321 -4.010 14.541 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.451 -3.621 16.028 1.00 0.00 H new ATOM 605 N VAL A 37 -6.014 -1.550 10.371 1.00 0.00 N ATOM 606 CA VAL A 37 -4.692 -1.066 9.879 1.00 0.00 C ATOM 607 C VAL A 37 -3.552 -1.791 10.597 1.00 0.00 C ATOM 608 O VAL A 37 -3.407 -1.704 11.800 1.00 0.00 O ATOM 609 CB VAL A 37 -4.670 0.428 10.205 1.00 0.00 C ATOM 610 CG1 VAL A 37 -4.805 0.628 11.717 1.00 0.00 C ATOM 611 CG2 VAL A 37 -3.347 1.033 9.731 1.00 0.00 C ATOM 0 H VAL A 37 -6.439 -0.982 11.104 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.558 -1.254 8.814 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.501 0.919 9.699 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.789 1.694 11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.746 0.198 12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.976 0.135 12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.330 2.098 9.963 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.518 0.538 10.238 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.249 0.894 8.654 1.00 0.00 H new ATOM 621 N GLU A 38 -2.737 -2.500 9.865 1.00 0.00 N ATOM 622 CA GLU A 38 -1.601 -3.223 10.504 1.00 0.00 C ATOM 623 C GLU A 38 -0.375 -2.308 10.570 1.00 0.00 C ATOM 624 O GLU A 38 0.480 -2.456 11.419 1.00 0.00 O ATOM 625 CB GLU A 38 -1.326 -4.423 9.596 1.00 0.00 C ATOM 626 CG GLU A 38 -0.959 -5.640 10.449 1.00 0.00 C ATOM 627 CD GLU A 38 -2.236 -6.315 10.953 1.00 0.00 C ATOM 628 OE1 GLU A 38 -3.303 -5.927 10.507 1.00 0.00 O ATOM 629 OE2 GLU A 38 -2.125 -7.208 11.776 1.00 0.00 O ATOM 0 H GLU A 38 -2.808 -2.610 8.853 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.828 -3.534 11.524 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.205 -4.643 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.514 -4.191 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.370 -6.345 9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.340 -5.333 11.292 1.00 0.00 H new ATOM 636 N LYS A 39 -0.292 -1.358 9.678 1.00 0.00 N ATOM 637 CA LYS A 39 0.873 -0.426 9.682 1.00 0.00 C ATOM 638 C LYS A 39 0.491 0.894 9.005 1.00 0.00 C ATOM 639 O LYS A 39 -0.336 0.927 8.116 1.00 0.00 O ATOM 640 CB LYS A 39 1.959 -1.144 8.880 1.00 0.00 C ATOM 641 CG LYS A 39 2.634 -2.203 9.756 1.00 0.00 C ATOM 642 CD LYS A 39 2.089 -3.587 9.397 1.00 0.00 C ATOM 643 CE LYS A 39 3.222 -4.614 9.457 1.00 0.00 C ATOM 644 NZ LYS A 39 2.903 -5.598 8.385 1.00 0.00 N ATOM 0 H LYS A 39 -0.981 -1.187 8.946 1.00 0.00 H new ATOM 0 HA LYS A 39 1.206 -0.184 10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.523 -1.612 7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.699 -0.425 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.714 -2.177 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.450 -1.990 10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.294 -3.867 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.652 -3.570 8.398 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.191 -4.144 9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.268 -5.095 10.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.635 -6.336 8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.978 -6.033 8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.872 -5.112 7.466 1.00 0.00 H new ATOM 658 N VAL A 40 1.086 1.982 9.416 1.00 0.00 N ATOM 659 CA VAL A 40 0.752 3.295 8.789 1.00 0.00 C ATOM 660 C VAL A 40 1.984 3.885 8.096 1.00 0.00 C ATOM 661 O VAL A 40 2.981 4.177 8.726 1.00 0.00 O ATOM 662 CB VAL A 40 0.308 4.191 9.946 1.00 0.00 C ATOM 663 CG1 VAL A 40 -0.050 5.578 9.408 1.00 0.00 C ATOM 664 CG2 VAL A 40 -0.922 3.579 10.622 1.00 0.00 C ATOM 0 H VAL A 40 1.787 2.019 10.156 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.023 3.199 8.028 1.00 0.00 H new ATOM 0 HB VAL A 40 1.119 4.277 10.670 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.367 6.217 10.232 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.822 6.016 8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.861 5.490 8.685 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.239 4.217 11.447 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.731 3.494 9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.672 2.589 11.004 1.00 0.00 H new ATOM 674 N GLU A 41 1.921 4.067 6.805 1.00 0.00 N ATOM 675 CA GLU A 41 3.086 4.645 6.076 1.00 0.00 C ATOM 676 C GLU A 41 2.776 6.082 5.651 1.00 0.00 C ATOM 677 O GLU A 41 1.727 6.366 5.109 1.00 0.00 O ATOM 678 CB GLU A 41 3.273 3.749 4.850 1.00 0.00 C ATOM 679 CG GLU A 41 4.715 3.232 4.810 1.00 0.00 C ATOM 680 CD GLU A 41 5.641 4.337 4.299 1.00 0.00 C ATOM 681 OE1 GLU A 41 5.272 4.998 3.343 1.00 0.00 O ATOM 682 OE2 GLU A 41 6.706 4.502 4.873 1.00 0.00 O ATOM 0 H GLU A 41 1.114 3.841 6.224 1.00 0.00 H new ATOM 0 HA GLU A 41 3.985 4.681 6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.576 2.912 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.050 4.307 3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.026 2.914 5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.781 2.359 4.161 1.00 0.00 H new ATOM 689 N GLU A 42 3.676 6.990 5.900 1.00 0.00 N ATOM 690 CA GLU A 42 3.429 8.409 5.515 1.00 0.00 C ATOM 691 C GLU A 42 4.192 8.752 4.233 1.00 0.00 C ATOM 692 O GLU A 42 5.404 8.682 4.182 1.00 0.00 O ATOM 693 CB GLU A 42 3.955 9.232 6.692 1.00 0.00 C ATOM 694 CG GLU A 42 5.455 8.981 6.858 1.00 0.00 C ATOM 695 CD GLU A 42 5.759 8.649 8.320 1.00 0.00 C ATOM 696 OE1 GLU A 42 4.910 8.050 8.959 1.00 0.00 O ATOM 697 OE2 GLU A 42 6.835 9.001 8.775 1.00 0.00 O ATOM 0 H GLU A 42 4.572 6.813 6.353 1.00 0.00 H new ATOM 0 HA GLU A 42 2.376 8.607 5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.769 10.292 6.520 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.426 8.960 7.605 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.770 8.160 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.018 9.862 6.550 1.00 0.00 H new ATOM 704 N LEU A 43 3.490 9.124 3.197 1.00 0.00 N ATOM 705 CA LEU A 43 4.175 9.473 1.919 1.00 0.00 C ATOM 706 C LEU A 43 4.703 10.909 1.982 1.00 0.00 C ATOM 707 O LEU A 43 5.802 11.197 1.553 1.00 0.00 O ATOM 708 CB LEU A 43 3.095 9.343 0.844 1.00 0.00 C ATOM 709 CG LEU A 43 3.047 7.900 0.342 1.00 0.00 C ATOM 710 CD1 LEU A 43 4.293 7.607 -0.495 1.00 0.00 C ATOM 711 CD2 LEU A 43 3.001 6.946 1.538 1.00 0.00 C ATOM 0 H LEU A 43 2.473 9.201 3.180 1.00 0.00 H new ATOM 0 HA LEU A 43 5.030 8.828 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.125 9.630 1.251 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.307 10.020 0.017 1.00 0.00 H new ATOM 0 HG LEU A 43 2.157 7.759 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.258 6.578 -0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.327 8.286 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.184 7.748 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.967 5.917 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.891 7.088 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.113 7.153 2.135 1.00 0.00 H new ATOM 723 N GLY A 44 3.926 11.811 2.516 1.00 0.00 N ATOM 724 CA GLY A 44 4.382 13.227 2.613 1.00 0.00 C ATOM 725 C GLY A 44 4.762 13.744 1.226 1.00 0.00 C ATOM 726 O GLY A 44 5.832 14.284 1.026 1.00 0.00 O ATOM 0 H GLY A 44 2.995 11.629 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.591 13.845 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.237 13.298 3.285 1.00 0.00 H new ATOM 730 N LEU A 45 3.894 13.589 0.266 1.00 0.00 N ATOM 731 CA LEU A 45 4.207 14.079 -1.106 1.00 0.00 C ATOM 732 C LEU A 45 4.775 15.500 -1.037 1.00 0.00 C ATOM 733 O LEU A 45 4.714 16.153 -0.013 1.00 0.00 O ATOM 734 CB LEU A 45 2.869 14.068 -1.845 1.00 0.00 C ATOM 735 CG LEU A 45 2.959 13.129 -3.050 1.00 0.00 C ATOM 736 CD1 LEU A 45 1.791 12.141 -3.019 1.00 0.00 C ATOM 737 CD2 LEU A 45 2.898 13.949 -4.339 1.00 0.00 C ATOM 0 H LEU A 45 2.982 13.145 0.371 1.00 0.00 H new ATOM 0 HA LEU A 45 4.952 13.462 -1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.074 13.741 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.615 15.076 -2.174 1.00 0.00 H new ATOM 0 HG LEU A 45 3.899 12.579 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.857 11.473 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.834 11.556 -2.100 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.850 12.689 -3.057 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.962 13.281 -5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.958 14.499 -4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.731 14.652 -4.363 1.00 0.00 H new ATOM 749 N ARG A 46 5.328 15.983 -2.114 1.00 0.00 N ATOM 750 CA ARG A 46 5.899 17.361 -2.101 1.00 0.00 C ATOM 751 C ARG A 46 5.108 18.275 -3.039 1.00 0.00 C ATOM 752 O ARG A 46 5.294 18.262 -4.239 1.00 0.00 O ATOM 753 CB ARG A 46 7.337 17.198 -2.595 1.00 0.00 C ATOM 754 CG ARG A 46 8.071 16.189 -1.709 1.00 0.00 C ATOM 755 CD ARG A 46 8.468 14.970 -2.543 1.00 0.00 C ATOM 756 NE ARG A 46 7.702 13.836 -1.957 1.00 0.00 N ATOM 757 CZ ARG A 46 8.276 13.034 -1.102 1.00 0.00 C ATOM 758 NH1 ARG A 46 9.335 12.358 -1.455 1.00 0.00 N ATOM 759 NH2 ARG A 46 7.793 12.910 0.104 1.00 0.00 N ATOM 0 H ARG A 46 5.410 15.486 -3.001 1.00 0.00 H new ATOM 0 HA ARG A 46 5.856 17.815 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.340 16.858 -3.631 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.851 18.159 -2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 46 8.958 16.649 -1.274 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.431 15.883 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.219 15.113 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.542 14.789 -2.492 1.00 0.00 H new ATOM 0 HE ARG A 46 6.729 13.686 -2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.713 12.457 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.785 11.731 -0.789 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.966 13.440 0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.242 12.283 0.771 1.00 0.00 H new ATOM 773 N ARG A 47 4.225 19.071 -2.501 1.00 0.00 N ATOM 774 CA ARG A 47 3.425 19.987 -3.364 1.00 0.00 C ATOM 775 C ARG A 47 4.356 20.936 -4.125 1.00 0.00 C ATOM 776 O ARG A 47 5.228 21.557 -3.552 1.00 0.00 O ATOM 777 CB ARG A 47 2.536 20.768 -2.396 1.00 0.00 C ATOM 778 CG ARG A 47 1.627 19.797 -1.638 1.00 0.00 C ATOM 779 CD ARG A 47 0.255 20.442 -1.428 1.00 0.00 C ATOM 780 NE ARG A 47 0.514 21.616 -0.550 1.00 0.00 N ATOM 781 CZ ARG A 47 0.362 21.512 0.741 1.00 0.00 C ATOM 782 NH1 ARG A 47 -0.835 21.458 1.255 1.00 0.00 N ATOM 783 NH2 ARG A 47 1.410 21.460 1.518 1.00 0.00 N ATOM 0 H ARG A 47 4.023 19.127 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 47 2.839 19.449 -4.109 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.152 21.330 -1.693 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.934 21.494 -2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.522 18.868 -2.198 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.072 19.541 -0.676 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.187 20.748 -2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.442 19.746 -0.961 1.00 0.00 H new ATOM 0 HE ARG A 47 0.811 22.502 -0.958 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.653 21.497 0.647 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.953 21.377 2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.346 21.501 1.115 1.00 0.00 H new ATOM 0 HH22 ARG A 47 1.293 21.379 2.528 1.00 0.00 H new ATOM 797 N LEU A 48 4.179 21.049 -5.413 1.00 0.00 N ATOM 798 CA LEU A 48 5.060 21.956 -6.207 1.00 0.00 C ATOM 799 C LEU A 48 4.604 23.410 -6.061 1.00 0.00 C ATOM 800 O LEU A 48 3.428 23.694 -5.945 1.00 0.00 O ATOM 801 CB LEU A 48 4.906 21.492 -7.655 1.00 0.00 C ATOM 802 CG LEU A 48 5.287 20.016 -7.762 1.00 0.00 C ATOM 803 CD1 LEU A 48 4.062 19.202 -8.184 1.00 0.00 C ATOM 804 CD2 LEU A 48 6.395 19.851 -8.805 1.00 0.00 C ATOM 0 H LEU A 48 3.466 20.555 -5.949 1.00 0.00 H new ATOM 0 HA LEU A 48 6.096 21.915 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.878 21.638 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.540 22.090 -8.309 1.00 0.00 H new ATOM 0 HG LEU A 48 5.642 19.661 -6.795 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.333 18.149 -8.260 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.273 19.320 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.706 19.556 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.668 18.799 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.040 20.206 -9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.267 20.431 -8.504 1.00 0.00 H new ATOM 816 N ALA A 49 5.527 24.332 -6.073 1.00 0.00 N ATOM 817 CA ALA A 49 5.152 25.770 -5.944 1.00 0.00 C ATOM 818 C ALA A 49 4.835 26.351 -7.324 1.00 0.00 C ATOM 819 O ALA A 49 4.564 25.627 -8.262 1.00 0.00 O ATOM 820 CB ALA A 49 6.385 26.449 -5.345 1.00 0.00 C ATOM 0 H ALA A 49 6.527 24.152 -6.167 1.00 0.00 H new ATOM 0 HA ALA A 49 4.268 25.916 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.189 27.514 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.611 26.004 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.235 26.314 -6.013 1.00 0.00 H new ATOM 826 N TYR A 50 4.864 27.649 -7.460 1.00 0.00 N ATOM 827 CA TYR A 50 4.563 28.262 -8.783 1.00 0.00 C ATOM 828 C TYR A 50 5.274 27.482 -9.894 1.00 0.00 C ATOM 829 O TYR A 50 4.635 26.906 -10.751 1.00 0.00 O ATOM 830 CB TYR A 50 5.097 29.694 -8.696 1.00 0.00 C ATOM 831 CG TYR A 50 3.940 30.664 -8.718 1.00 0.00 C ATOM 832 CD1 TYR A 50 3.217 30.865 -9.901 1.00 0.00 C ATOM 833 CD2 TYR A 50 3.590 31.364 -7.557 1.00 0.00 C ATOM 834 CE1 TYR A 50 2.145 31.765 -9.922 1.00 0.00 C ATOM 835 CE2 TYR A 50 2.518 32.264 -7.579 1.00 0.00 C ATOM 836 CZ TYR A 50 1.795 32.464 -8.761 1.00 0.00 C ATOM 837 OH TYR A 50 0.739 33.352 -8.782 1.00 0.00 O ATOM 0 H TYR A 50 5.083 28.309 -6.714 1.00 0.00 H new ATOM 0 HA TYR A 50 3.498 28.247 -9.014 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.676 29.823 -7.782 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.769 29.894 -9.530 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.487 30.326 -10.797 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.147 31.210 -6.645 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.588 31.920 -10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.249 32.804 -6.684 1.00 0.00 H new ATOM 0 HH TYR A 50 0.630 33.751 -7.894 1.00 0.00 H new ATOM 847 N PRO A 51 6.579 27.482 -9.833 1.00 0.00 N ATOM 848 CA PRO A 51 7.390 26.755 -10.841 1.00 0.00 C ATOM 849 C PRO A 51 7.172 25.246 -10.700 1.00 0.00 C ATOM 850 O PRO A 51 7.014 24.734 -9.609 1.00 0.00 O ATOM 851 CB PRO A 51 8.827 27.147 -10.498 1.00 0.00 C ATOM 852 CG PRO A 51 8.778 27.534 -9.056 1.00 0.00 C ATOM 853 CD PRO A 51 7.419 28.141 -8.826 1.00 0.00 C ATOM 0 HA PRO A 51 7.130 27.002 -11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.514 26.317 -10.663 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.171 27.974 -11.119 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.929 26.665 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.567 28.247 -8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 51 7.059 27.950 -7.815 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.434 29.223 -8.960 1.00 0.00 H new ATOM 861 N ILE A 52 7.158 24.529 -11.789 1.00 0.00 N ATOM 862 CA ILE A 52 6.943 23.056 -11.701 1.00 0.00 C ATOM 863 C ILE A 52 8.172 22.303 -12.221 1.00 0.00 C ATOM 864 O ILE A 52 8.737 22.645 -13.241 1.00 0.00 O ATOM 865 CB ILE A 52 5.725 22.773 -12.583 1.00 0.00 C ATOM 866 CG1 ILE A 52 4.651 23.834 -12.330 1.00 0.00 C ATOM 867 CG2 ILE A 52 5.162 21.391 -12.243 1.00 0.00 C ATOM 868 CD1 ILE A 52 3.408 23.513 -13.163 1.00 0.00 C ATOM 0 H ILE A 52 7.285 24.896 -12.732 1.00 0.00 H new ATOM 0 HA ILE A 52 6.785 22.728 -10.674 1.00 0.00 H new ATOM 0 HB ILE A 52 6.022 22.800 -13.631 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.395 23.861 -11.271 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.032 24.821 -12.591 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.294 21.187 -12.870 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.925 20.633 -12.422 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.865 21.367 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.644 24.269 -12.982 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.670 23.508 -14.221 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.023 22.533 -12.880 1.00 0.00 H new ATOM 880 N ALA A 53 8.585 21.280 -11.525 1.00 0.00 N ATOM 881 CA ALA A 53 9.775 20.499 -11.969 1.00 0.00 C ATOM 882 C ALA A 53 9.842 19.176 -11.199 1.00 0.00 C ATOM 883 O ALA A 53 10.050 18.123 -11.769 1.00 0.00 O ATOM 884 CB ALA A 53 10.978 21.379 -11.632 1.00 0.00 C ATOM 0 H ALA A 53 8.148 20.950 -10.664 1.00 0.00 H new ATOM 0 HA ALA A 53 9.741 20.253 -13.030 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.895 20.871 -11.930 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.897 22.326 -12.166 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.001 21.569 -10.559 1.00 0.00 H new ATOM 890 N LYS A 54 9.659 19.225 -9.909 1.00 0.00 N ATOM 891 CA LYS A 54 9.702 17.975 -9.096 1.00 0.00 C ATOM 892 C LYS A 54 8.507 17.087 -9.437 1.00 0.00 C ATOM 893 O LYS A 54 7.880 17.236 -10.468 1.00 0.00 O ATOM 894 CB LYS A 54 9.619 18.446 -7.643 1.00 0.00 C ATOM 895 CG LYS A 54 10.969 18.231 -6.956 1.00 0.00 C ATOM 896 CD LYS A 54 10.791 17.284 -5.767 1.00 0.00 C ATOM 897 CE LYS A 54 11.970 16.309 -5.710 1.00 0.00 C ATOM 898 NZ LYS A 54 11.411 15.061 -5.116 1.00 0.00 N ATOM 0 H LYS A 54 9.481 20.079 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 54 10.601 17.389 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.345 19.500 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.840 17.896 -7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.686 17.814 -7.663 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.373 19.185 -6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.732 17.854 -4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.855 16.734 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.378 16.125 -6.704 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.782 16.707 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.161 14.344 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.036 15.266 -4.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.645 14.702 -5.721 1.00 0.00 H new ATOM 912 N ASP A 55 8.189 16.165 -8.577 1.00 0.00 N ATOM 913 CA ASP A 55 7.032 15.264 -8.843 1.00 0.00 C ATOM 914 C ASP A 55 5.720 16.042 -8.711 1.00 0.00 C ATOM 915 O ASP A 55 5.705 17.153 -8.218 1.00 0.00 O ATOM 916 CB ASP A 55 7.122 14.174 -7.775 1.00 0.00 C ATOM 917 CG ASP A 55 7.826 12.946 -8.356 1.00 0.00 C ATOM 918 OD1 ASP A 55 7.146 12.118 -8.941 1.00 0.00 O ATOM 919 OD2 ASP A 55 9.033 12.853 -8.204 1.00 0.00 O ATOM 0 H ASP A 55 8.679 15.994 -7.699 1.00 0.00 H new ATOM 0 HA ASP A 55 7.055 14.846 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.670 14.544 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.124 13.905 -7.430 1.00 0.00 H new ATOM 924 N PRO A 56 4.661 15.430 -9.163 1.00 0.00 N ATOM 925 CA PRO A 56 3.323 16.071 -9.106 1.00 0.00 C ATOM 926 C PRO A 56 2.826 16.163 -7.660 1.00 0.00 C ATOM 927 O PRO A 56 3.146 15.338 -6.828 1.00 0.00 O ATOM 928 CB PRO A 56 2.443 15.134 -9.931 1.00 0.00 C ATOM 929 CG PRO A 56 3.132 13.808 -9.869 1.00 0.00 C ATOM 930 CD PRO A 56 4.608 14.091 -9.760 1.00 0.00 C ATOM 0 HA PRO A 56 3.322 17.093 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.435 15.075 -9.521 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.349 15.483 -10.959 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.784 13.231 -9.012 1.00 0.00 H new ATOM 0 HG3 PRO A 56 2.916 13.218 -10.759 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.112 13.354 -9.135 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.094 14.068 -10.736 1.00 0.00 H new ATOM 938 N GLN A 57 2.044 17.164 -7.356 1.00 0.00 N ATOM 939 CA GLN A 57 1.523 17.314 -5.966 1.00 0.00 C ATOM 940 C GLN A 57 0.372 16.334 -5.723 1.00 0.00 C ATOM 941 O GLN A 57 -0.342 15.965 -6.633 1.00 0.00 O ATOM 942 CB GLN A 57 1.021 18.756 -5.886 1.00 0.00 C ATOM 943 CG GLN A 57 -0.098 18.962 -6.909 1.00 0.00 C ATOM 944 CD GLN A 57 -1.100 19.984 -6.370 1.00 0.00 C ATOM 945 OE1 GLN A 57 -0.710 20.859 -5.483 1.00 0.00 O flip ATOM 946 NE2 GLN A 57 -2.250 19.989 -6.762 1.00 0.00 N flip ATOM 0 H GLN A 57 1.743 17.885 -8.011 1.00 0.00 H new ATOM 0 HA GLN A 57 2.284 17.103 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.655 18.970 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.839 19.449 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 57 0.319 19.309 -7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.600 18.016 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.556 19.306 -7.455 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.910 20.676 -6.398 1.00 0.00 H new ATOM 955 N GLY A 58 0.181 15.914 -4.501 1.00 0.00 N ATOM 956 CA GLY A 58 -0.928 14.963 -4.207 1.00 0.00 C ATOM 957 C GLY A 58 -0.691 14.293 -2.852 1.00 0.00 C ATOM 958 O GLY A 58 0.292 14.549 -2.185 1.00 0.00 O ATOM 0 H GLY A 58 0.744 16.188 -3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.881 15.492 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.989 14.208 -4.991 1.00 0.00 H new ATOM 962 N TYR A 59 -1.585 13.436 -2.442 1.00 0.00 N ATOM 963 CA TYR A 59 -1.418 12.744 -1.132 1.00 0.00 C ATOM 964 C TYR A 59 -1.652 11.242 -1.302 1.00 0.00 C ATOM 965 O TYR A 59 -2.736 10.808 -1.640 1.00 0.00 O ATOM 966 CB TYR A 59 -2.486 13.355 -0.222 1.00 0.00 C ATOM 967 CG TYR A 59 -2.100 13.148 1.223 1.00 0.00 C ATOM 968 CD1 TYR A 59 -1.855 11.858 1.706 1.00 0.00 C ATOM 969 CD2 TYR A 59 -1.990 14.249 2.081 1.00 0.00 C ATOM 970 CE1 TYR A 59 -1.500 11.667 3.046 1.00 0.00 C ATOM 971 CE2 TYR A 59 -1.634 14.059 3.422 1.00 0.00 C ATOM 972 CZ TYR A 59 -1.389 12.768 3.905 1.00 0.00 C ATOM 973 OH TYR A 59 -1.039 12.580 5.226 1.00 0.00 O ATOM 0 H TYR A 59 -2.427 13.184 -2.959 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.416 12.867 -0.721 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.591 14.419 -0.432 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.454 12.894 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.940 11.009 1.044 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.180 15.245 1.709 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.312 10.671 3.418 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.548 14.908 4.084 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.006 13.447 5.682 1.00 0.00 H new ATOM 983 N PHE A 60 -0.645 10.443 -1.076 1.00 0.00 N ATOM 984 CA PHE A 60 -0.814 8.970 -1.232 1.00 0.00 C ATOM 985 C PHE A 60 -0.645 8.268 0.118 1.00 0.00 C ATOM 986 O PHE A 60 0.390 8.354 0.748 1.00 0.00 O ATOM 987 CB PHE A 60 0.292 8.548 -2.199 1.00 0.00 C ATOM 988 CG PHE A 60 0.402 7.042 -2.217 1.00 0.00 C ATOM 989 CD1 PHE A 60 -0.724 6.254 -1.950 1.00 0.00 C ATOM 990 CD2 PHE A 60 1.630 6.434 -2.501 1.00 0.00 C ATOM 991 CE1 PHE A 60 -0.621 4.859 -1.966 1.00 0.00 C ATOM 992 CE2 PHE A 60 1.733 5.038 -2.518 1.00 0.00 C ATOM 993 CZ PHE A 60 0.607 4.250 -2.250 1.00 0.00 C ATOM 0 H PHE A 60 0.286 10.746 -0.790 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.804 8.705 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.074 8.919 -3.201 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.242 8.988 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.672 6.723 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 60 2.499 7.042 -2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.490 4.251 -1.759 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.681 4.569 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.686 3.173 -2.262 1.00 0.00 H new ATOM 1003 N LEU A 61 -1.655 7.572 0.566 1.00 0.00 N ATOM 1004 CA LEU A 61 -1.549 6.865 1.874 1.00 0.00 C ATOM 1005 C LEU A 61 -1.354 5.362 1.648 1.00 0.00 C ATOM 1006 O LEU A 61 -1.904 4.784 0.733 1.00 0.00 O ATOM 1007 CB LEU A 61 -2.877 7.137 2.583 1.00 0.00 C ATOM 1008 CG LEU A 61 -3.982 6.281 1.963 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -4.098 4.963 2.730 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -5.313 7.031 2.042 1.00 0.00 C ATOM 0 H LEU A 61 -2.547 7.463 0.084 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.698 7.209 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.785 6.913 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.134 8.193 2.501 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.739 6.076 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.886 4.353 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.151 4.427 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.340 5.169 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.101 6.421 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.554 7.235 3.085 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.233 7.972 1.497 1.00 0.00 H new ATOM 1022 N TRP A 62 -0.573 4.725 2.477 1.00 0.00 N ATOM 1023 CA TRP A 62 -0.343 3.261 2.314 1.00 0.00 C ATOM 1024 C TRP A 62 -0.565 2.553 3.652 1.00 0.00 C ATOM 1025 O TRP A 62 0.141 2.792 4.612 1.00 0.00 O ATOM 1026 CB TRP A 62 1.118 3.149 1.875 1.00 0.00 C ATOM 1027 CG TRP A 62 1.406 1.754 1.422 1.00 0.00 C ATOM 1028 CD1 TRP A 62 1.381 1.335 0.136 1.00 0.00 C ATOM 1029 CD2 TRP A 62 1.767 0.593 2.225 1.00 0.00 C ATOM 1030 NE1 TRP A 62 1.704 -0.009 0.098 1.00 0.00 N ATOM 1031 CE2 TRP A 62 1.950 -0.512 1.360 1.00 0.00 C ATOM 1032 CE3 TRP A 62 1.951 0.394 3.605 1.00 0.00 C ATOM 1033 CZ2 TRP A 62 2.303 -1.771 1.848 1.00 0.00 C ATOM 1034 CZ3 TRP A 62 2.308 -0.872 4.099 1.00 0.00 C ATOM 1035 CH2 TRP A 62 2.483 -1.951 3.222 1.00 0.00 C ATOM 0 H TRP A 62 -0.083 5.156 3.261 1.00 0.00 H new ATOM 0 HA TRP A 62 -1.020 2.801 1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.319 3.852 1.067 1.00 0.00 H new ATOM 0 HB3 TRP A 62 1.777 3.416 2.701 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.147 1.950 -0.721 1.00 0.00 H new ATOM 0 HE1 TRP A 62 1.754 -0.561 -0.758 1.00 0.00 H new ATOM 0 HE3 TRP A 62 1.817 1.219 4.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.436 -2.600 1.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 2.448 -1.014 5.160 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.757 -2.922 3.608 1.00 0.00 H new ATOM 1046 N TYR A 63 -1.544 1.692 3.732 1.00 0.00 N ATOM 1047 CA TYR A 63 -1.810 0.990 5.014 1.00 0.00 C ATOM 1048 C TYR A 63 -2.016 -0.506 4.779 1.00 0.00 C ATOM 1049 O TYR A 63 -2.532 -0.921 3.760 1.00 0.00 O ATOM 1050 CB TYR A 63 -3.106 1.613 5.528 1.00 0.00 C ATOM 1051 CG TYR A 63 -2.896 3.076 5.845 1.00 0.00 C ATOM 1052 CD1 TYR A 63 -1.659 3.525 6.318 1.00 0.00 C ATOM 1053 CD2 TYR A 63 -3.948 3.982 5.669 1.00 0.00 C ATOM 1054 CE1 TYR A 63 -1.472 4.881 6.614 1.00 0.00 C ATOM 1055 CE2 TYR A 63 -3.764 5.338 5.965 1.00 0.00 C ATOM 1056 CZ TYR A 63 -2.525 5.788 6.438 1.00 0.00 C ATOM 1057 OH TYR A 63 -2.341 7.125 6.730 1.00 0.00 O ATOM 0 H TYR A 63 -2.169 1.447 2.964 1.00 0.00 H new ATOM 0 HA TYR A 63 -0.981 1.091 5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.891 1.505 4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.442 1.085 6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.847 2.826 6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.903 3.635 5.304 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -0.516 5.227 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.577 6.036 5.829 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.170 7.616 6.551 1.00 0.00 H new ATOM 1067 N GLN A 64 -1.644 -1.318 5.729 1.00 0.00 N ATOM 1068 CA GLN A 64 -1.850 -2.783 5.575 1.00 0.00 C ATOM 1069 C GLN A 64 -3.195 -3.141 6.199 1.00 0.00 C ATOM 1070 O GLN A 64 -3.470 -2.801 7.333 1.00 0.00 O ATOM 1071 CB GLN A 64 -0.699 -3.436 6.339 1.00 0.00 C ATOM 1072 CG GLN A 64 0.624 -3.081 5.661 1.00 0.00 C ATOM 1073 CD GLN A 64 0.748 -3.857 4.349 1.00 0.00 C ATOM 1074 OE1 GLN A 64 0.050 -3.575 3.395 1.00 0.00 O ATOM 1075 NE2 GLN A 64 1.615 -4.827 4.259 1.00 0.00 N ATOM 0 H GLN A 64 -1.207 -1.030 6.604 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.860 -3.114 4.537 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.694 -3.094 7.374 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.830 -4.518 6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.670 -2.009 5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.459 -3.322 6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.201 -5.063 5.060 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.707 -5.349 3.388 1.00 0.00 H new ATOM 1084 N VAL A 65 -4.055 -3.778 5.463 1.00 0.00 N ATOM 1085 CA VAL A 65 -5.396 -4.093 6.014 1.00 0.00 C ATOM 1086 C VAL A 65 -5.682 -5.595 5.997 1.00 0.00 C ATOM 1087 O VAL A 65 -4.937 -6.383 5.452 1.00 0.00 O ATOM 1088 CB VAL A 65 -6.343 -3.363 5.069 1.00 0.00 C ATOM 1089 CG1 VAL A 65 -5.941 -1.894 4.988 1.00 0.00 C ATOM 1090 CG2 VAL A 65 -6.236 -3.975 3.672 1.00 0.00 C ATOM 0 H VAL A 65 -3.889 -4.093 4.507 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.495 -3.790 7.056 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.364 -3.453 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.616 -1.369 4.313 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.998 -1.446 5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.920 -1.816 4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.912 -3.455 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.213 -3.877 3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.506 -5.030 3.715 1.00 0.00 H new ATOM 1100 N GLU A 66 -6.780 -5.981 6.584 1.00 0.00 N ATOM 1101 CA GLU A 66 -7.169 -7.417 6.609 1.00 0.00 C ATOM 1102 C GLU A 66 -8.632 -7.530 6.188 1.00 0.00 C ATOM 1103 O GLU A 66 -9.517 -7.690 7.005 1.00 0.00 O ATOM 1104 CB GLU A 66 -6.992 -7.866 8.057 1.00 0.00 C ATOM 1105 CG GLU A 66 -7.593 -9.261 8.220 1.00 0.00 C ATOM 1106 CD GLU A 66 -6.535 -10.212 8.782 1.00 0.00 C ATOM 1107 OE1 GLU A 66 -6.425 -10.294 9.994 1.00 0.00 O ATOM 1108 OE2 GLU A 66 -5.853 -10.841 7.991 1.00 0.00 O ATOM 0 H GLU A 66 -7.433 -5.353 7.054 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.572 -8.031 5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.935 -7.878 8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.481 -7.164 8.732 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.453 -9.222 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.953 -9.628 7.259 1.00 0.00 H new ATOM 1115 N MET A 67 -8.892 -7.423 4.919 1.00 0.00 N ATOM 1116 CA MET A 67 -10.299 -7.495 4.434 1.00 0.00 C ATOM 1117 C MET A 67 -10.406 -8.415 3.219 1.00 0.00 C ATOM 1118 O MET A 67 -9.438 -8.649 2.524 1.00 0.00 O ATOM 1119 CB MET A 67 -10.654 -6.058 4.049 1.00 0.00 C ATOM 1120 CG MET A 67 -9.546 -5.475 3.169 1.00 0.00 C ATOM 1121 SD MET A 67 -10.272 -4.766 1.672 1.00 0.00 S ATOM 1122 CE MET A 67 -8.766 -4.774 0.666 1.00 0.00 C ATOM 0 H MET A 67 -8.190 -7.288 4.192 1.00 0.00 H new ATOM 0 HA MET A 67 -10.972 -7.899 5.190 1.00 0.00 H new ATOM 0 HB2 MET A 67 -11.605 -6.038 3.516 1.00 0.00 H new ATOM 0 HB3 MET A 67 -10.778 -5.450 4.945 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.997 -4.709 3.717 1.00 0.00 H new ATOM 0 HG3 MET A 67 -8.830 -6.253 2.905 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.698 -3.842 0.105 1.00 0.00 H new ATOM 0 HE2 MET A 67 -7.896 -4.871 1.315 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.796 -5.614 -0.028 1.00 0.00 H new ATOM 1132 N PRO A 68 -11.597 -8.903 3.005 1.00 0.00 N ATOM 1133 CA PRO A 68 -11.859 -9.810 1.861 1.00 0.00 C ATOM 1134 C PRO A 68 -11.725 -9.043 0.541 1.00 0.00 C ATOM 1135 O PRO A 68 -11.949 -7.851 0.478 1.00 0.00 O ATOM 1136 CB PRO A 68 -13.295 -10.275 2.096 1.00 0.00 C ATOM 1137 CG PRO A 68 -13.908 -9.202 2.936 1.00 0.00 C ATOM 1138 CD PRO A 68 -12.804 -8.653 3.797 1.00 0.00 C ATOM 0 HA PRO A 68 -11.161 -10.644 1.795 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.831 -10.396 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.321 -11.239 2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.339 -8.419 2.312 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.716 -9.602 3.549 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -12.941 -7.590 3.996 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -12.761 -9.155 4.764 1.00 0.00 H new ATOM 1146 N GLU A 69 -11.342 -9.718 -0.507 1.00 0.00 N ATOM 1147 CA GLU A 69 -11.167 -9.034 -1.821 1.00 0.00 C ATOM 1148 C GLU A 69 -12.516 -8.684 -2.460 1.00 0.00 C ATOM 1149 O GLU A 69 -12.585 -7.881 -3.368 1.00 0.00 O ATOM 1150 CB GLU A 69 -10.417 -10.043 -2.687 1.00 0.00 C ATOM 1151 CG GLU A 69 -11.202 -11.355 -2.742 1.00 0.00 C ATOM 1152 CD GLU A 69 -10.370 -12.475 -2.112 1.00 0.00 C ATOM 1153 OE1 GLU A 69 -9.403 -12.161 -1.439 1.00 0.00 O ATOM 1154 OE2 GLU A 69 -10.715 -13.628 -2.314 1.00 0.00 O ATOM 0 H GLU A 69 -11.142 -10.718 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.632 -8.091 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -10.283 -9.645 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.422 -10.220 -2.279 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.148 -11.248 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.443 -11.604 -3.775 1.00 0.00 H new ATOM 1161 N ASP A 70 -13.585 -9.287 -2.019 1.00 0.00 N ATOM 1162 CA ASP A 70 -14.909 -8.979 -2.639 1.00 0.00 C ATOM 1163 C ASP A 70 -15.511 -7.694 -2.058 1.00 0.00 C ATOM 1164 O ASP A 70 -16.120 -6.914 -2.763 1.00 0.00 O ATOM 1165 CB ASP A 70 -15.792 -10.191 -2.320 1.00 0.00 C ATOM 1166 CG ASP A 70 -16.342 -10.077 -0.895 1.00 0.00 C ATOM 1167 OD1 ASP A 70 -15.557 -10.166 0.031 1.00 0.00 O ATOM 1168 OD2 ASP A 70 -17.542 -9.902 -0.758 1.00 0.00 O ATOM 0 H ASP A 70 -13.603 -9.973 -1.264 1.00 0.00 H new ATOM 0 HA ASP A 70 -14.821 -8.809 -3.712 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.615 -10.250 -3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -15.214 -11.110 -2.423 1.00 0.00 H new ATOM 1173 N ARG A 71 -15.352 -7.465 -0.787 1.00 0.00 N ATOM 1174 CA ARG A 71 -15.918 -6.237 -0.184 1.00 0.00 C ATOM 1175 C ARG A 71 -15.052 -5.027 -0.541 1.00 0.00 C ATOM 1176 O ARG A 71 -15.377 -3.903 -0.217 1.00 0.00 O ATOM 1177 CB ARG A 71 -15.898 -6.487 1.325 1.00 0.00 C ATOM 1178 CG ARG A 71 -16.918 -7.573 1.676 1.00 0.00 C ATOM 1179 CD ARG A 71 -18.259 -6.923 2.025 1.00 0.00 C ATOM 1180 NE ARG A 71 -19.256 -7.607 1.154 1.00 0.00 N ATOM 1181 CZ ARG A 71 -20.153 -8.395 1.682 1.00 0.00 C ATOM 1182 NH1 ARG A 71 -20.670 -8.107 2.844 1.00 0.00 N ATOM 1183 NH2 ARG A 71 -20.534 -9.469 1.046 1.00 0.00 N ATOM 0 H ARG A 71 -14.854 -8.078 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.924 -6.025 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.901 -6.794 1.640 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -16.132 -5.567 1.860 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -17.041 -8.256 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.559 -8.165 2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -18.499 -7.056 3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -18.239 -5.850 1.835 1.00 0.00 H new ATOM 0 HE ARG A 71 -19.238 -7.459 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -20.374 -7.266 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -21.371 -8.722 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -20.131 -9.693 0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.235 -10.085 1.459 1.00 0.00 H new ATOM 1197 N VAL A 72 -13.948 -5.248 -1.203 1.00 0.00 N ATOM 1198 CA VAL A 72 -13.063 -4.104 -1.568 1.00 0.00 C ATOM 1199 C VAL A 72 -13.773 -3.163 -2.541 1.00 0.00 C ATOM 1200 O VAL A 72 -13.736 -1.958 -2.392 1.00 0.00 O ATOM 1201 CB VAL A 72 -11.838 -4.744 -2.222 1.00 0.00 C ATOM 1202 CG1 VAL A 72 -12.164 -5.164 -3.657 1.00 0.00 C ATOM 1203 CG2 VAL A 72 -10.696 -3.731 -2.242 1.00 0.00 C ATOM 0 H VAL A 72 -13.622 -6.166 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 72 -12.792 -3.501 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 72 -11.547 -5.626 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.284 -5.618 -4.112 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -12.981 -5.885 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -12.459 -4.288 -4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.819 -4.181 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.999 -2.853 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.454 -3.435 -1.221 1.00 0.00 H new ATOM 1213 N ASN A 73 -14.420 -3.699 -3.534 1.00 0.00 N ATOM 1214 CA ASN A 73 -15.131 -2.830 -4.510 1.00 0.00 C ATOM 1215 C ASN A 73 -16.231 -2.044 -3.797 1.00 0.00 C ATOM 1216 O ASN A 73 -16.505 -0.905 -4.119 1.00 0.00 O ATOM 1217 CB ASN A 73 -15.734 -3.791 -5.534 1.00 0.00 C ATOM 1218 CG ASN A 73 -16.356 -2.992 -6.679 1.00 0.00 C ATOM 1219 OD1 ASN A 73 -17.431 -2.286 -6.457 1.00 0.00 O flip ATOM 1220 ND2 ASN A 73 -15.859 -3.008 -7.788 1.00 0.00 N flip ATOM 0 H ASN A 73 -14.488 -4.701 -3.713 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.469 -2.103 -4.981 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -14.964 -4.459 -5.919 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -16.490 -4.416 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.019 -3.559 -7.962 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -16.282 -2.470 -8.544 1.00 0.00 H new ATOM 1227 N ASP A 74 -16.869 -2.649 -2.832 1.00 0.00 N ATOM 1228 CA ASP A 74 -17.955 -1.952 -2.100 1.00 0.00 C ATOM 1229 C ASP A 74 -17.401 -0.767 -1.307 1.00 0.00 C ATOM 1230 O ASP A 74 -17.889 0.342 -1.404 1.00 0.00 O ATOM 1231 CB ASP A 74 -18.517 -3.005 -1.147 1.00 0.00 C ATOM 1232 CG ASP A 74 -19.666 -2.400 -0.339 1.00 0.00 C ATOM 1233 OD1 ASP A 74 -20.691 -2.107 -0.933 1.00 0.00 O ATOM 1234 OD2 ASP A 74 -19.502 -2.237 0.859 1.00 0.00 O ATOM 0 H ASP A 74 -16.681 -3.602 -2.520 1.00 0.00 H new ATOM 0 HA ASP A 74 -18.711 -1.552 -2.776 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -18.870 -3.869 -1.710 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -17.734 -3.359 -0.477 1.00 0.00 H new ATOM 1239 N LEU A 75 -16.385 -0.996 -0.523 1.00 0.00 N ATOM 1240 CA LEU A 75 -15.798 0.119 0.279 1.00 0.00 C ATOM 1241 C LEU A 75 -15.072 1.096 -0.646 1.00 0.00 C ATOM 1242 O LEU A 75 -15.077 2.292 -0.437 1.00 0.00 O ATOM 1243 CB LEU A 75 -14.805 -0.540 1.238 1.00 0.00 C ATOM 1244 CG LEU A 75 -15.444 -1.763 1.903 1.00 0.00 C ATOM 1245 CD1 LEU A 75 -14.427 -2.901 1.930 1.00 0.00 C ATOM 1246 CD2 LEU A 75 -15.855 -1.414 3.335 1.00 0.00 C ATOM 0 H LEU A 75 -15.935 -1.903 -0.401 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.561 0.681 0.817 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.908 -0.839 0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.494 0.176 1.999 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.327 -2.067 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.873 -3.776 2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.132 -3.149 0.911 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -13.549 -2.591 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.309 -2.286 3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.975 -1.112 3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -16.574 -0.595 3.318 1.00 0.00 H new ATOM 1258 N ALA A 76 -14.460 0.585 -1.678 1.00 0.00 N ATOM 1259 CA ALA A 76 -13.742 1.468 -2.641 1.00 0.00 C ATOM 1260 C ALA A 76 -14.761 2.354 -3.338 1.00 0.00 C ATOM 1261 O ALA A 76 -14.538 3.520 -3.598 1.00 0.00 O ATOM 1262 CB ALA A 76 -13.075 0.518 -3.636 1.00 0.00 C ATOM 0 H ALA A 76 -14.426 -0.411 -1.897 1.00 0.00 H new ATOM 0 HA ALA A 76 -13.006 2.116 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.525 1.096 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.386 -0.139 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.837 -0.081 -4.134 1.00 0.00 H new ATOM 1268 N ARG A 77 -15.883 1.779 -3.639 1.00 0.00 N ATOM 1269 CA ARG A 77 -16.970 2.518 -4.323 1.00 0.00 C ATOM 1270 C ARG A 77 -17.355 3.766 -3.522 1.00 0.00 C ATOM 1271 O ARG A 77 -17.698 4.790 -4.078 1.00 0.00 O ATOM 1272 CB ARG A 77 -18.110 1.508 -4.328 1.00 0.00 C ATOM 1273 CG ARG A 77 -18.372 1.034 -5.759 1.00 0.00 C ATOM 1274 CD ARG A 77 -19.878 0.901 -5.987 1.00 0.00 C ATOM 1275 NE ARG A 77 -20.253 2.099 -6.788 1.00 0.00 N ATOM 1276 CZ ARG A 77 -20.115 2.088 -8.085 1.00 0.00 C ATOM 1277 NH1 ARG A 77 -20.484 1.041 -8.771 1.00 0.00 N ATOM 1278 NH2 ARG A 77 -19.609 3.124 -8.696 1.00 0.00 N ATOM 0 H ARG A 77 -16.098 0.803 -3.435 1.00 0.00 H new ATOM 0 HA ARG A 77 -16.700 2.870 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.859 0.658 -3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -19.011 1.960 -3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -17.947 1.742 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.882 0.076 -5.931 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -20.117 -0.020 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.420 0.873 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.618 2.929 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -20.880 0.232 -8.293 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.376 1.032 -9.785 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.321 3.942 -8.159 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.501 3.115 -9.710 1.00 0.00 H new ATOM 1292 N GLU A 78 -17.295 3.689 -2.222 1.00 0.00 N ATOM 1293 CA GLU A 78 -17.649 4.873 -1.386 1.00 0.00 C ATOM 1294 C GLU A 78 -16.562 5.942 -1.505 1.00 0.00 C ATOM 1295 O GLU A 78 -16.840 7.121 -1.597 1.00 0.00 O ATOM 1296 CB GLU A 78 -17.714 4.344 0.047 1.00 0.00 C ATOM 1297 CG GLU A 78 -18.536 3.057 0.084 1.00 0.00 C ATOM 1298 CD GLU A 78 -18.917 2.737 1.531 1.00 0.00 C ATOM 1299 OE1 GLU A 78 -19.950 3.214 1.971 1.00 0.00 O ATOM 1300 OE2 GLU A 78 -18.167 2.021 2.175 1.00 0.00 O ATOM 0 H GLU A 78 -17.016 2.858 -1.701 1.00 0.00 H new ATOM 0 HA GLU A 78 -18.589 5.330 -1.696 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.708 4.155 0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -18.162 5.092 0.701 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -19.434 3.169 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -17.963 2.234 -0.343 1.00 0.00 H new ATOM 1307 N LEU A 79 -15.325 5.532 -1.495 1.00 0.00 N ATOM 1308 CA LEU A 79 -14.208 6.516 -1.597 1.00 0.00 C ATOM 1309 C LEU A 79 -14.334 7.350 -2.877 1.00 0.00 C ATOM 1310 O LEU A 79 -14.232 8.560 -2.850 1.00 0.00 O ATOM 1311 CB LEU A 79 -12.938 5.664 -1.640 1.00 0.00 C ATOM 1312 CG LEU A 79 -12.660 5.087 -0.251 1.00 0.00 C ATOM 1313 CD1 LEU A 79 -11.567 4.021 -0.348 1.00 0.00 C ATOM 1314 CD2 LEU A 79 -12.196 6.207 0.682 1.00 0.00 C ATOM 0 H LEU A 79 -15.037 4.556 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 79 -14.207 7.220 -0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -13.054 4.857 -2.364 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.093 6.269 -1.969 1.00 0.00 H new ATOM 0 HG LEU A 79 -13.571 4.637 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.370 3.611 0.642 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -11.896 3.222 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.655 4.469 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.998 5.797 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.285 6.656 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.974 6.967 0.753 1.00 0.00 H new ATOM 1326 N ARG A 80 -14.548 6.712 -3.995 1.00 0.00 N ATOM 1327 CA ARG A 80 -14.670 7.469 -5.276 1.00 0.00 C ATOM 1328 C ARG A 80 -15.935 8.332 -5.272 1.00 0.00 C ATOM 1329 O ARG A 80 -16.026 9.318 -5.976 1.00 0.00 O ATOM 1330 CB ARG A 80 -14.751 6.400 -6.367 1.00 0.00 C ATOM 1331 CG ARG A 80 -14.386 7.022 -7.716 1.00 0.00 C ATOM 1332 CD ARG A 80 -15.649 7.552 -8.398 1.00 0.00 C ATOM 1333 NE ARG A 80 -16.418 6.335 -8.779 1.00 0.00 N ATOM 1334 CZ ARG A 80 -17.708 6.290 -8.584 1.00 0.00 C ATOM 1335 NH1 ARG A 80 -18.520 6.804 -9.468 1.00 0.00 N ATOM 1336 NH2 ARG A 80 -18.186 5.731 -7.507 1.00 0.00 N ATOM 0 H ARG A 80 -14.644 5.700 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.830 8.146 -5.431 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -14.073 5.578 -6.137 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -15.757 5.981 -6.407 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.671 7.832 -7.572 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.903 6.279 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -16.224 8.188 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.403 8.154 -9.273 1.00 0.00 H new ATOM 0 HE ARG A 80 -15.937 5.536 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -18.146 7.241 -10.311 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -19.528 6.769 -9.316 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -17.552 5.329 -6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -19.194 5.696 -7.355 1.00 0.00 H new ATOM 1350 N ILE A 81 -16.912 7.962 -4.495 1.00 0.00 N ATOM 1351 CA ILE A 81 -18.172 8.754 -4.455 1.00 0.00 C ATOM 1352 C ILE A 81 -17.994 10.023 -3.616 1.00 0.00 C ATOM 1353 O ILE A 81 -18.784 10.943 -3.698 1.00 0.00 O ATOM 1354 CB ILE A 81 -19.193 7.823 -3.803 1.00 0.00 C ATOM 1355 CG1 ILE A 81 -19.609 6.742 -4.806 1.00 0.00 C ATOM 1356 CG2 ILE A 81 -20.420 8.630 -3.379 1.00 0.00 C ATOM 1357 CD1 ILE A 81 -20.523 7.351 -5.871 1.00 0.00 C ATOM 0 H ILE A 81 -16.893 7.145 -3.885 1.00 0.00 H new ATOM 0 HA ILE A 81 -18.480 9.082 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 81 -18.750 7.352 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.726 6.309 -5.276 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -20.125 5.933 -4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -21.149 7.966 -2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -20.121 9.398 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -20.866 9.102 -4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -20.817 6.579 -6.583 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -21.413 7.763 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -19.992 8.145 -6.396 1.00 0.00 H new ATOM 1369 N ARG A 82 -16.976 10.083 -2.798 1.00 0.00 N ATOM 1370 CA ARG A 82 -16.783 11.298 -1.955 1.00 0.00 C ATOM 1371 C ARG A 82 -16.364 12.494 -2.798 1.00 0.00 C ATOM 1372 O ARG A 82 -15.876 12.369 -3.903 1.00 0.00 O ATOM 1373 CB ARG A 82 -15.684 10.952 -0.961 1.00 0.00 C ATOM 1374 CG ARG A 82 -15.441 12.136 -0.025 1.00 0.00 C ATOM 1375 CD ARG A 82 -14.998 11.618 1.345 1.00 0.00 C ATOM 1376 NE ARG A 82 -16.064 12.060 2.288 1.00 0.00 N ATOM 1377 CZ ARG A 82 -17.311 11.757 2.053 1.00 0.00 C ATOM 1378 NH1 ARG A 82 -17.613 10.616 1.495 1.00 0.00 N ATOM 1379 NH2 ARG A 82 -18.256 12.594 2.380 1.00 0.00 N ATOM 0 H ARG A 82 -16.276 9.351 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.712 11.572 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.967 10.072 -0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.766 10.702 -1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.678 12.793 -0.442 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.351 12.728 0.075 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.898 10.533 1.343 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.028 12.027 1.627 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.818 12.600 3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.874 9.960 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -18.588 10.380 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.020 13.484 2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.231 12.359 2.197 1.00 0.00 H new ATOM 1393 N ASP A 83 -16.563 13.652 -2.259 1.00 0.00 N ATOM 1394 CA ASP A 83 -16.200 14.911 -2.975 1.00 0.00 C ATOM 1395 C ASP A 83 -14.681 15.124 -2.998 1.00 0.00 C ATOM 1396 O ASP A 83 -14.111 15.497 -4.004 1.00 0.00 O ATOM 1397 CB ASP A 83 -16.884 16.023 -2.182 1.00 0.00 C ATOM 1398 CG ASP A 83 -18.354 16.113 -2.597 1.00 0.00 C ATOM 1399 OD1 ASP A 83 -18.610 16.181 -3.788 1.00 0.00 O ATOM 1400 OD2 ASP A 83 -19.199 16.110 -1.717 1.00 0.00 O ATOM 0 H ASP A 83 -16.970 13.791 -1.334 1.00 0.00 H new ATOM 0 HA ASP A 83 -16.517 14.886 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -16.808 15.822 -1.113 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -16.384 16.975 -2.364 1.00 0.00 H new ATOM 1405 N ASN A 84 -14.028 14.923 -1.885 1.00 0.00 N ATOM 1406 CA ASN A 84 -12.552 15.146 -1.829 1.00 0.00 C ATOM 1407 C ASN A 84 -11.786 14.033 -2.549 1.00 0.00 C ATOM 1408 O ASN A 84 -10.655 14.214 -2.952 1.00 0.00 O ATOM 1409 CB ASN A 84 -12.213 15.145 -0.339 1.00 0.00 C ATOM 1410 CG ASN A 84 -12.847 16.365 0.330 1.00 0.00 C ATOM 1411 OD1 ASN A 84 -13.934 16.282 0.868 1.00 0.00 O ATOM 1412 ND2 ASN A 84 -12.209 17.503 0.320 1.00 0.00 N ATOM 0 H ASN A 84 -14.452 14.614 -1.011 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.270 16.075 -2.324 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.579 14.230 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -11.132 15.162 -0.201 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -12.622 18.323 0.764 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -11.297 17.572 -0.131 1.00 0.00 H new ATOM 1419 N VAL A 85 -12.378 12.884 -2.709 1.00 0.00 N ATOM 1420 CA VAL A 85 -11.660 11.776 -3.393 1.00 0.00 C ATOM 1421 C VAL A 85 -11.745 11.938 -4.912 1.00 0.00 C ATOM 1422 O VAL A 85 -12.791 12.230 -5.458 1.00 0.00 O ATOM 1423 CB VAL A 85 -12.388 10.512 -2.948 1.00 0.00 C ATOM 1424 CG1 VAL A 85 -11.711 9.297 -3.577 1.00 0.00 C ATOM 1425 CG2 VAL A 85 -12.327 10.403 -1.422 1.00 0.00 C ATOM 0 H VAL A 85 -13.324 12.665 -2.397 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.600 11.753 -3.141 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.430 10.554 -3.266 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.227 8.390 -3.263 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.751 9.380 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -10.671 9.253 -3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.847 9.500 -1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.286 10.356 -1.102 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.805 11.275 -0.976 1.00 0.00 H new ATOM 1435 N ARG A 86 -10.650 11.751 -5.598 1.00 0.00 N ATOM 1436 CA ARG A 86 -10.666 11.891 -7.082 1.00 0.00 C ATOM 1437 C ARG A 86 -10.750 10.511 -7.737 1.00 0.00 C ATOM 1438 O ARG A 86 -11.389 10.334 -8.756 1.00 0.00 O ATOM 1439 CB ARG A 86 -9.343 12.572 -7.433 1.00 0.00 C ATOM 1440 CG ARG A 86 -9.407 13.105 -8.866 1.00 0.00 C ATOM 1441 CD ARG A 86 -8.159 12.661 -9.631 1.00 0.00 C ATOM 1442 NE ARG A 86 -7.926 13.733 -10.638 1.00 0.00 N ATOM 1443 CZ ARG A 86 -8.190 13.513 -11.896 1.00 0.00 C ATOM 1444 NH1 ARG A 86 -9.416 13.609 -12.331 1.00 0.00 N ATOM 1445 NH2 ARG A 86 -7.227 13.197 -12.718 1.00 0.00 N ATOM 0 H ARG A 86 -9.745 11.507 -5.195 1.00 0.00 H new ATOM 0 HA ARG A 86 -11.523 12.465 -7.434 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.147 13.389 -6.738 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.520 11.864 -7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -10.303 12.734 -9.364 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -9.474 14.193 -8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.304 12.553 -8.964 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.313 11.695 -10.111 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.560 14.639 -10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.168 13.856 -11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.623 13.437 -13.315 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.269 13.122 -12.376 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -7.432 13.025 -13.702 1.00 0.00 H new ATOM 1459 N ARG A 87 -10.107 9.531 -7.161 1.00 0.00 N ATOM 1460 CA ARG A 87 -10.150 8.166 -7.754 1.00 0.00 C ATOM 1461 C ARG A 87 -9.840 7.114 -6.685 1.00 0.00 C ATOM 1462 O ARG A 87 -9.463 7.433 -5.575 1.00 0.00 O ATOM 1463 CB ARG A 87 -9.060 8.172 -8.825 1.00 0.00 C ATOM 1464 CG ARG A 87 -9.433 9.160 -9.931 1.00 0.00 C ATOM 1465 CD ARG A 87 -8.538 8.925 -11.151 1.00 0.00 C ATOM 1466 NE ARG A 87 -9.460 8.961 -12.319 1.00 0.00 N ATOM 1467 CZ ARG A 87 -9.900 10.103 -12.769 1.00 0.00 C ATOM 1468 NH1 ARG A 87 -10.896 10.701 -12.174 1.00 0.00 N ATOM 1469 NH2 ARG A 87 -9.344 10.650 -13.815 1.00 0.00 N ATOM 0 H ARG A 87 -9.555 9.618 -6.307 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.130 7.923 -8.164 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -8.103 8.450 -8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.940 7.172 -9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.480 9.036 -10.206 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -9.317 10.183 -9.573 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.770 9.694 -11.231 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.023 7.966 -11.084 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.748 8.091 -12.768 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.331 10.275 -11.356 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.239 11.594 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.565 10.184 -14.281 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.688 11.543 -14.167 1.00 0.00 H new ATOM 1483 N VAL A 88 -9.991 5.863 -7.017 1.00 0.00 N ATOM 1484 CA VAL A 88 -9.700 4.787 -6.028 1.00 0.00 C ATOM 1485 C VAL A 88 -8.785 3.737 -6.661 1.00 0.00 C ATOM 1486 O VAL A 88 -9.110 3.146 -7.672 1.00 0.00 O ATOM 1487 CB VAL A 88 -11.062 4.187 -5.683 1.00 0.00 C ATOM 1488 CG1 VAL A 88 -10.885 3.080 -4.644 1.00 0.00 C ATOM 1489 CG2 VAL A 88 -11.963 5.281 -5.108 1.00 0.00 C ATOM 0 H VAL A 88 -10.304 5.538 -7.932 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.190 5.159 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.515 3.771 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.857 2.653 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -10.238 2.302 -5.048 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.433 3.495 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.936 4.858 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.506 5.693 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.089 6.073 -5.846 1.00 0.00 H new ATOM 1499 N MET A 89 -7.641 3.504 -6.079 1.00 0.00 N ATOM 1500 CA MET A 89 -6.707 2.498 -6.658 1.00 0.00 C ATOM 1501 C MET A 89 -6.528 1.321 -5.697 1.00 0.00 C ATOM 1502 O MET A 89 -6.017 1.470 -4.604 1.00 0.00 O ATOM 1503 CB MET A 89 -5.386 3.249 -6.833 1.00 0.00 C ATOM 1504 CG MET A 89 -4.998 3.270 -8.313 1.00 0.00 C ATOM 1505 SD MET A 89 -4.110 1.749 -8.728 1.00 0.00 S ATOM 1506 CE MET A 89 -5.286 1.125 -9.954 1.00 0.00 C ATOM 0 H MET A 89 -7.313 3.965 -5.230 1.00 0.00 H new ATOM 0 HA MET A 89 -7.075 2.085 -7.597 1.00 0.00 H new ATOM 0 HB2 MET A 89 -5.483 4.268 -6.458 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.602 2.767 -6.248 1.00 0.00 H new ATOM 0 HG2 MET A 89 -5.890 3.363 -8.932 1.00 0.00 H new ATOM 0 HG3 MET A 89 -4.372 4.137 -8.523 1.00 0.00 H new ATOM 0 HE1 MET A 89 -4.920 0.183 -10.362 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.254 0.964 -9.480 1.00 0.00 H new ATOM 0 HE3 MET A 89 -5.393 1.852 -10.759 1.00 0.00 H new ATOM 1516 N VAL A 90 -6.933 0.149 -6.100 1.00 0.00 N ATOM 1517 CA VAL A 90 -6.777 -1.039 -5.215 1.00 0.00 C ATOM 1518 C VAL A 90 -5.755 -2.001 -5.822 1.00 0.00 C ATOM 1519 O VAL A 90 -5.918 -2.480 -6.928 1.00 0.00 O ATOM 1520 CB VAL A 90 -8.162 -1.683 -5.158 1.00 0.00 C ATOM 1521 CG1 VAL A 90 -8.451 -2.406 -6.475 1.00 0.00 C ATOM 1522 CG2 VAL A 90 -8.204 -2.690 -4.006 1.00 0.00 C ATOM 0 H VAL A 90 -7.366 -0.038 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 90 -6.420 -0.775 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.914 -0.910 -4.999 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.439 -2.864 -6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.419 -1.691 -7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.700 -3.179 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.190 -3.152 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.450 -3.460 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -8.002 -2.176 -3.066 1.00 0.00 H new ATOM 1532 N VAL A 91 -4.698 -2.285 -5.115 1.00 0.00 N ATOM 1533 CA VAL A 91 -3.666 -3.212 -5.660 1.00 0.00 C ATOM 1534 C VAL A 91 -3.424 -4.366 -4.693 1.00 0.00 C ATOM 1535 O VAL A 91 -3.634 -4.256 -3.502 1.00 0.00 O ATOM 1536 CB VAL A 91 -2.393 -2.369 -5.838 1.00 0.00 C ATOM 1537 CG1 VAL A 91 -2.283 -1.335 -4.714 1.00 0.00 C ATOM 1538 CG2 VAL A 91 -1.156 -3.275 -5.810 1.00 0.00 C ATOM 0 H VAL A 91 -4.503 -1.916 -4.184 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.981 -3.654 -6.605 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.449 -1.856 -6.798 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.377 -0.744 -4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.152 -0.678 -4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.241 -1.846 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.259 -2.669 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.109 -3.797 -4.855 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.220 -4.003 -6.619 1.00 0.00 H new ATOM 1548 N LYS A 92 -2.981 -5.473 -5.208 1.00 0.00 N ATOM 1549 CA LYS A 92 -2.714 -6.649 -4.334 1.00 0.00 C ATOM 1550 C LYS A 92 -1.346 -6.498 -3.663 1.00 0.00 C ATOM 1551 O LYS A 92 -0.394 -6.050 -4.269 1.00 0.00 O ATOM 1552 CB LYS A 92 -2.726 -7.855 -5.273 1.00 0.00 C ATOM 1553 CG LYS A 92 -4.107 -8.513 -5.243 1.00 0.00 C ATOM 1554 CD LYS A 92 -4.709 -8.504 -6.650 1.00 0.00 C ATOM 1555 CE LYS A 92 -6.234 -8.576 -6.554 1.00 0.00 C ATOM 1556 NZ LYS A 92 -6.532 -9.992 -6.205 1.00 0.00 N ATOM 0 H LYS A 92 -2.791 -5.618 -6.200 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.451 -6.753 -3.538 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.483 -7.541 -6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.963 -8.572 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.026 -9.537 -4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.761 -7.979 -4.553 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -4.410 -7.599 -7.179 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.330 -9.349 -7.224 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.614 -7.894 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -6.702 -8.295 -7.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -7.558 -10.153 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -6.050 -10.624 -6.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -6.196 -10.190 -5.241 1.00 0.00 H new ATOM 1570 N SER A 93 -1.242 -6.863 -2.415 1.00 0.00 N ATOM 1571 CA SER A 93 0.065 -6.734 -1.710 1.00 0.00 C ATOM 1572 C SER A 93 0.948 -7.950 -2.003 1.00 0.00 C ATOM 1573 O SER A 93 0.740 -9.023 -1.473 1.00 0.00 O ATOM 1574 CB SER A 93 -0.291 -6.670 -0.226 1.00 0.00 C ATOM 1575 OG SER A 93 0.847 -6.244 0.511 1.00 0.00 O ATOM 0 H SER A 93 -2.004 -7.244 -1.854 1.00 0.00 H new ATOM 0 HA SER A 93 0.624 -5.855 -2.032 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.120 -5.980 -0.068 1.00 0.00 H new ATOM 0 HB3 SER A 93 -0.620 -7.649 0.124 1.00 0.00 H new ATOM 0 HG SER A 93 0.622 -6.200 1.464 1.00 0.00 H new ATOM 1581 N GLN A 94 1.936 -7.789 -2.842 1.00 0.00 N ATOM 1582 CA GLN A 94 2.834 -8.934 -3.168 1.00 0.00 C ATOM 1583 C GLN A 94 4.230 -8.423 -3.533 1.00 0.00 C ATOM 1584 O GLN A 94 4.519 -7.248 -3.429 1.00 0.00 O ATOM 1585 CB GLN A 94 2.184 -9.625 -4.367 1.00 0.00 C ATOM 1586 CG GLN A 94 1.793 -8.578 -5.413 1.00 0.00 C ATOM 1587 CD GLN A 94 1.813 -9.214 -6.804 1.00 0.00 C ATOM 1588 OE1 GLN A 94 2.543 -10.154 -7.045 1.00 0.00 O ATOM 1589 NE2 GLN A 94 1.034 -8.738 -7.736 1.00 0.00 N ATOM 0 H GLN A 94 2.160 -6.914 -3.316 1.00 0.00 H new ATOM 0 HA GLN A 94 2.955 -9.615 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.875 -10.348 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 94 1.302 -10.180 -4.046 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.800 -8.185 -5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.484 -7.736 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.421 -7.948 -7.534 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.038 -9.155 -8.667 1.00 0.00 H new ATOM 1598 N GLU A 95 5.099 -9.298 -3.960 1.00 0.00 N ATOM 1599 CA GLU A 95 6.478 -8.864 -4.330 1.00 0.00 C ATOM 1600 C GLU A 95 6.436 -7.943 -5.552 1.00 0.00 C ATOM 1601 O GLU A 95 5.510 -7.993 -6.338 1.00 0.00 O ATOM 1602 CB GLU A 95 7.223 -10.157 -4.661 1.00 0.00 C ATOM 1603 CG GLU A 95 6.592 -10.810 -5.893 1.00 0.00 C ATOM 1604 CD GLU A 95 7.691 -11.400 -6.780 1.00 0.00 C ATOM 1605 OE1 GLU A 95 8.615 -10.674 -7.105 1.00 0.00 O ATOM 1606 OE2 GLU A 95 7.587 -12.568 -7.120 1.00 0.00 O ATOM 0 H GLU A 95 4.914 -10.295 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 95 6.963 -8.305 -3.529 1.00 0.00 H new ATOM 0 HB2 GLU A 95 8.276 -9.945 -4.848 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.181 -10.840 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 95 5.898 -11.593 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 95 6.015 -10.073 -6.452 1.00 0.00 H new ATOM 1613 N PRO A 96 7.451 -7.131 -5.670 1.00 0.00 N ATOM 1614 CA PRO A 96 7.544 -6.185 -6.809 1.00 0.00 C ATOM 1615 C PRO A 96 7.882 -6.940 -8.097 1.00 0.00 C ATOM 1616 O PRO A 96 8.227 -8.105 -8.072 1.00 0.00 O ATOM 1617 CB PRO A 96 8.684 -5.254 -6.409 1.00 0.00 C ATOM 1618 CG PRO A 96 9.521 -6.050 -5.459 1.00 0.00 C ATOM 1619 CD PRO A 96 8.599 -7.018 -4.762 1.00 0.00 C ATOM 0 HA PRO A 96 6.614 -5.650 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.263 -4.943 -7.279 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.306 -4.347 -5.937 1.00 0.00 H new ATOM 0 HG2 PRO A 96 10.308 -6.583 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 96 10.011 -5.397 -4.737 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.079 -7.984 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 96 8.298 -6.647 -3.782 1.00 0.00 H new ATOM 1627 N PHE A 97 7.787 -6.289 -9.223 1.00 0.00 N ATOM 1628 CA PHE A 97 8.105 -6.978 -10.507 1.00 0.00 C ATOM 1629 C PHE A 97 8.733 -5.996 -11.499 1.00 0.00 C ATOM 1630 O PHE A 97 8.213 -4.925 -11.743 1.00 0.00 O ATOM 1631 CB PHE A 97 6.761 -7.482 -11.031 1.00 0.00 C ATOM 1632 CG PHE A 97 6.998 -8.446 -12.168 1.00 0.00 C ATOM 1633 CD1 PHE A 97 7.445 -9.745 -11.902 1.00 0.00 C ATOM 1634 CD2 PHE A 97 6.772 -8.040 -13.489 1.00 0.00 C ATOM 1635 CE1 PHE A 97 7.669 -10.639 -12.955 1.00 0.00 C ATOM 1636 CE2 PHE A 97 6.995 -8.934 -14.543 1.00 0.00 C ATOM 1637 CZ PHE A 97 7.442 -10.234 -14.276 1.00 0.00 C ATOM 0 H PHE A 97 7.504 -5.313 -9.311 1.00 0.00 H new ATOM 0 HA PHE A 97 8.820 -7.789 -10.371 1.00 0.00 H new ATOM 0 HB2 PHE A 97 6.207 -7.974 -10.231 1.00 0.00 H new ATOM 0 HB3 PHE A 97 6.153 -6.644 -11.371 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.617 -10.058 -10.883 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.426 -7.038 -13.695 1.00 0.00 H new ATOM 0 HE1 PHE A 97 8.017 -11.641 -12.749 1.00 0.00 H new ATOM 0 HE2 PHE A 97 6.822 -8.621 -15.562 1.00 0.00 H new ATOM 0 HZ PHE A 97 7.612 -10.924 -15.089 1.00 0.00 H new ATOM 1647 N LEU A 98 9.848 -6.355 -12.075 1.00 0.00 N ATOM 1648 CA LEU A 98 10.511 -5.447 -13.056 1.00 0.00 C ATOM 1649 C LEU A 98 11.527 -6.231 -13.892 1.00 0.00 C ATOM 1650 O LEU A 98 12.162 -7.150 -13.412 1.00 0.00 O ATOM 1651 CB LEU A 98 11.217 -4.390 -12.205 1.00 0.00 C ATOM 1652 CG LEU A 98 12.144 -5.078 -11.202 1.00 0.00 C ATOM 1653 CD1 LEU A 98 13.583 -4.609 -11.431 1.00 0.00 C ATOM 1654 CD2 LEU A 98 11.709 -4.716 -9.781 1.00 0.00 C ATOM 0 H LEU A 98 10.329 -7.239 -11.909 1.00 0.00 H new ATOM 0 HA LEU A 98 9.802 -4.999 -13.752 1.00 0.00 H new ATOM 0 HB2 LEU A 98 11.790 -3.717 -12.843 1.00 0.00 H new ATOM 0 HB3 LEU A 98 10.482 -3.781 -11.679 1.00 0.00 H new ATOM 0 HG LEU A 98 12.090 -6.158 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 98 14.244 -5.099 -10.716 1.00 0.00 H new ATOM 0 HD12 LEU A 98 13.892 -4.864 -12.445 1.00 0.00 H new ATOM 0 HD13 LEU A 98 13.640 -3.529 -11.296 1.00 0.00 H new ATOM 0 HD21 LEU A 98 12.368 -5.205 -9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 98 11.765 -3.636 -9.648 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.684 -5.049 -9.618 1.00 0.00 H new ATOM 1666 N ALA A 99 11.683 -5.878 -15.139 1.00 0.00 N ATOM 1667 CA ALA A 99 12.656 -6.608 -16.004 1.00 0.00 C ATOM 1668 C ALA A 99 14.013 -5.897 -15.996 1.00 0.00 C ATOM 1669 O ALA A 99 14.149 -4.793 -16.483 1.00 0.00 O ATOM 1670 CB ALA A 99 12.043 -6.576 -17.405 1.00 0.00 C ATOM 0 H ALA A 99 11.180 -5.117 -15.596 1.00 0.00 H new ATOM 0 HA ALA A 99 12.831 -7.627 -15.658 1.00 0.00 H new ATOM 0 HB1 ALA A 99 12.701 -7.094 -18.102 1.00 0.00 H new ATOM 0 HB2 ALA A 99 11.071 -7.069 -17.388 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.919 -5.541 -17.724 1.00 0.00 H new ATOM 1676 N ASN A 100 15.018 -6.526 -15.450 1.00 0.00 N ATOM 1677 CA ASN A 100 16.366 -5.888 -15.415 1.00 0.00 C ATOM 1678 C ASN A 100 17.448 -6.950 -15.211 1.00 0.00 C ATOM 1679 O ASN A 100 18.458 -6.709 -14.580 1.00 0.00 O ATOM 1680 CB ASN A 100 16.323 -4.932 -14.222 1.00 0.00 C ATOM 1681 CG ASN A 100 15.947 -3.531 -14.705 1.00 0.00 C ATOM 1682 OD1 ASN A 100 14.894 -3.023 -14.372 1.00 0.00 O ATOM 1683 ND2 ASN A 100 16.767 -2.879 -15.484 1.00 0.00 N ATOM 0 H ASN A 100 14.965 -7.453 -15.027 1.00 0.00 H new ATOM 0 HA ASN A 100 16.600 -5.369 -16.344 1.00 0.00 H new ATOM 0 HB2 ASN A 100 15.597 -5.282 -13.488 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.293 -4.909 -13.726 1.00 0.00 H new ATOM 0 HD21 ASN A 100 16.524 -1.944 -15.812 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.651 -3.304 -15.764 1.00 0.00 H new ATOM 1690 N ALA A 101 17.245 -8.127 -15.738 1.00 0.00 N ATOM 1691 CA ALA A 101 18.263 -9.203 -15.573 1.00 0.00 C ATOM 1692 C ALA A 101 18.413 -9.995 -16.876 1.00 0.00 C ATOM 1693 O ALA A 101 17.776 -11.029 -16.994 1.00 0.00 O ATOM 1694 CB ALA A 101 17.716 -10.097 -14.461 1.00 0.00 C ATOM 1695 OXT ALA A 101 19.161 -9.552 -17.732 1.00 0.00 O ATOM 0 H ALA A 101 16.419 -8.390 -16.275 1.00 0.00 H new ATOM 0 HA ALA A 101 19.248 -8.806 -15.329 1.00 0.00 H new ATOM 0 HB1 ALA A 101 18.411 -10.917 -14.279 1.00 0.00 H new ATOM 0 HB2 ALA A 101 17.598 -9.512 -13.549 1.00 0.00 H new ATOM 0 HB3 ALA A 101 16.749 -10.501 -14.761 1.00 0.00 H new TER 1701 ALA A 101