USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 523 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.0514 (180deg=-0.489) USER MOD Single : A 5 SER OG : rot 180:sc=-0.00532 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 144:sc= -0.64 (180deg=-3.49!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= 0.817 (180deg=-0.145) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.27) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= -0.216 USER MOD Single : A 32 ASN : amide:sc= -0.0866 X(o=-0.087,f=-0.087) USER MOD Single : A 35 ASN : amide:sc= -1.53 K(o=-1.5,f=-4.3!) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.0779 (180deg=-1) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0422 USER MOD Single : A 54 THR OG1 : rot 73:sc= 0.695 USER MOD Single : A 56 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.66) USER MOD Single : A 58 MET CE :methyl -171:sc= -2.34 (180deg=-2.9!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00107 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 70 SER OG : rot -167:sc= -0.61 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.27) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.948 7.101 1.807 1.00 0.00 N ATOM 2 CA MET A 1 -13.961 6.669 0.850 1.00 0.00 C ATOM 3 C MET A 1 -13.321 6.262 -0.473 1.00 0.00 C ATOM 4 O MET A 1 -12.466 6.970 -1.003 1.00 0.00 O ATOM 5 CB MET A 1 -14.980 7.786 0.616 1.00 0.00 C ATOM 6 CG MET A 1 -15.496 8.417 1.898 1.00 0.00 C ATOM 7 SD MET A 1 -16.327 7.232 2.970 1.00 0.00 S ATOM 8 CE MET A 1 -17.753 8.185 3.489 1.00 0.00 C ATOM 0 H1 MET A 1 -13.361 7.129 2.761 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.151 6.433 1.794 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.609 8.050 1.549 1.00 0.00 H new ATOM 0 HA MET A 1 -14.473 5.801 1.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.523 8.559 -0.002 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.823 7.385 0.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.663 8.867 2.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.187 9.223 1.649 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.367 7.584 4.160 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.421 9.084 4.009 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.340 8.467 2.615 1.00 0.00 H new ATOM 16 N ALA A 2 -13.740 5.116 -1.000 1.00 0.00 N ATOM 17 CA ALA A 2 -13.209 4.616 -2.263 1.00 0.00 C ATOM 18 C ALA A 2 -13.932 3.346 -2.698 1.00 0.00 C ATOM 19 O ALA A 2 -14.864 2.893 -2.034 1.00 0.00 O ATOM 20 CB ALA A 2 -11.714 4.360 -2.141 1.00 0.00 C ATOM 0 H ALA A 2 -14.445 4.516 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.376 5.376 -3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.330 3.987 -3.091 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.206 5.289 -1.884 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.534 3.620 -1.361 1.00 0.00 H new ATOM 26 N ARG A 3 -13.497 2.779 -3.819 1.00 0.00 N ATOM 27 CA ARG A 3 -14.105 1.562 -4.344 1.00 0.00 C ATOM 28 C ARG A 3 -13.302 0.331 -3.930 1.00 0.00 C ATOM 29 O ARG A 3 -13.731 -0.444 -3.077 1.00 0.00 O ATOM 30 CB ARG A 3 -14.202 1.632 -5.869 1.00 0.00 C ATOM 31 CG ARG A 3 -15.246 2.618 -6.367 1.00 0.00 C ATOM 32 CD ARG A 3 -15.195 2.765 -7.880 1.00 0.00 C ATOM 33 NE ARG A 3 -16.051 1.791 -8.554 1.00 0.00 N ATOM 34 CZ ARG A 3 -16.417 1.890 -9.826 1.00 0.00 C ATOM 35 NH1 ARG A 3 -16.006 2.915 -10.560 1.00 0.00 N ATOM 36 NH2 ARG A 3 -17.198 0.964 -10.368 1.00 0.00 N ATOM 0 H ARG A 3 -12.727 3.142 -4.380 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.108 1.477 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -13.229 1.910 -6.274 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -14.437 0.640 -6.256 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.238 2.282 -6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.083 3.589 -5.900 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.505 3.773 -8.157 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -14.167 2.642 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.386 0.991 -8.017 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.407 3.630 -10.147 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.289 2.988 -11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.518 0.175 -9.807 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -17.478 1.042 -11.346 1.00 0.00 H new ATOM 47 N GLY A 4 -12.135 0.159 -4.543 1.00 0.00 N ATOM 48 CA GLY A 4 -11.292 -0.979 -4.227 1.00 0.00 C ATOM 49 C GLY A 4 -11.023 -1.856 -5.434 1.00 0.00 C ATOM 50 O GLY A 4 -11.642 -1.684 -6.484 1.00 0.00 O ATOM 0 H GLY A 4 -11.758 0.787 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.345 -0.624 -3.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.768 -1.575 -3.448 1.00 0.00 H new ATOM 54 N SER A 5 -10.098 -2.797 -5.286 1.00 0.00 N ATOM 55 CA SER A 5 -9.744 -3.701 -6.374 1.00 0.00 C ATOM 56 C SER A 5 -9.502 -5.113 -5.851 1.00 0.00 C ATOM 57 O SER A 5 -10.036 -6.085 -6.384 1.00 0.00 O ATOM 58 CB SER A 5 -8.499 -3.193 -7.103 1.00 0.00 C ATOM 59 OG SER A 5 -8.371 -1.787 -6.976 1.00 0.00 O ATOM 0 H SER A 5 -9.579 -2.954 -4.422 1.00 0.00 H new ATOM 0 HA SER A 5 -10.579 -3.731 -7.074 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.612 -3.680 -6.697 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.556 -3.462 -8.158 1.00 0.00 H new ATOM 0 HG SER A 5 -7.567 -1.488 -7.449 1.00 0.00 H new ATOM 64 N VAL A 6 -8.690 -5.217 -4.803 1.00 0.00 N ATOM 65 CA VAL A 6 -8.376 -6.510 -4.205 1.00 0.00 C ATOM 66 C VAL A 6 -9.645 -7.298 -3.902 1.00 0.00 C ATOM 67 O VAL A 6 -10.731 -6.729 -3.794 1.00 0.00 O ATOM 68 CB VAL A 6 -7.564 -6.346 -2.907 1.00 0.00 C ATOM 69 CG1 VAL A 6 -6.141 -5.907 -3.218 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.244 -5.352 -1.976 1.00 0.00 C ATOM 0 H VAL A 6 -8.238 -4.422 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.777 -7.058 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.519 -7.312 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.583 -5.796 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.658 -6.657 -3.844 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.161 -4.953 -3.744 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.657 -5.248 -1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.320 -4.384 -2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.242 -5.712 -1.726 1.00 0.00 H new ATOM 80 N SER A 7 -9.500 -8.613 -3.766 1.00 0.00 N ATOM 81 CA SER A 7 -10.635 -9.481 -3.477 1.00 0.00 C ATOM 82 C SER A 7 -11.148 -9.253 -2.059 1.00 0.00 C ATOM 83 O SER A 7 -10.490 -8.603 -1.247 1.00 0.00 O ATOM 84 CB SER A 7 -10.241 -10.948 -3.661 1.00 0.00 C ATOM 85 OG SER A 7 -10.819 -11.489 -4.836 1.00 0.00 O ATOM 0 H SER A 7 -8.608 -9.100 -3.851 1.00 0.00 H new ATOM 0 HA SER A 7 -11.435 -9.237 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.156 -11.032 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 7 -10.563 -11.526 -2.795 1.00 0.00 H new ATOM 0 HG SER A 7 -10.550 -12.427 -4.931 1.00 0.00 H new ATOM 90 N ASP A 8 -12.326 -9.794 -1.768 1.00 0.00 N ATOM 91 CA ASP A 8 -12.928 -9.651 -0.448 1.00 0.00 C ATOM 92 C ASP A 8 -11.951 -10.079 0.644 1.00 0.00 C ATOM 93 O ASP A 8 -11.754 -9.365 1.626 1.00 0.00 O ATOM 94 CB ASP A 8 -14.210 -10.480 -0.356 1.00 0.00 C ATOM 95 CG ASP A 8 -15.458 -9.635 -0.514 1.00 0.00 C ATOM 96 OD1 ASP A 8 -15.685 -8.747 0.335 1.00 0.00 O ATOM 97 OD2 ASP A 8 -16.208 -9.860 -1.487 1.00 0.00 O ATOM 0 H ASP A 8 -12.883 -10.336 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.173 -8.599 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.197 -11.251 -1.126 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.240 -10.991 0.606 1.00 0.00 H new ATOM 101 N GLU A 9 -11.344 -11.248 0.463 1.00 0.00 N ATOM 102 CA GLU A 9 -10.390 -11.771 1.434 1.00 0.00 C ATOM 103 C GLU A 9 -9.315 -10.736 1.751 1.00 0.00 C ATOM 104 O GLU A 9 -9.164 -10.314 2.897 1.00 0.00 O ATOM 105 CB GLU A 9 -9.742 -13.052 0.905 1.00 0.00 C ATOM 106 CG GLU A 9 -10.451 -14.320 1.347 1.00 0.00 C ATOM 107 CD GLU A 9 -9.967 -14.822 2.694 1.00 0.00 C ATOM 108 OE1 GLU A 9 -9.062 -15.681 2.715 1.00 0.00 O ATOM 109 OE2 GLU A 9 -10.493 -14.355 3.725 1.00 0.00 O ATOM 0 H GLU A 9 -11.496 -11.850 -0.346 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.931 -11.999 2.352 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.724 -13.017 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.705 -13.090 1.240 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.524 -14.133 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.298 -15.097 0.598 1.00 0.00 H new ATOM 114 N GLU A 10 -8.570 -10.332 0.727 1.00 0.00 N ATOM 115 CA GLU A 10 -7.507 -9.349 0.897 1.00 0.00 C ATOM 116 C GLU A 10 -8.068 -8.024 1.404 1.00 0.00 C ATOM 117 O GLU A 10 -7.684 -7.543 2.469 1.00 0.00 O ATOM 118 CB GLU A 10 -6.768 -9.130 -0.425 1.00 0.00 C ATOM 119 CG GLU A 10 -5.284 -9.449 -0.354 1.00 0.00 C ATOM 120 CD GLU A 10 -4.902 -10.640 -1.212 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.019 -11.416 -0.789 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.485 -10.796 -2.305 1.00 0.00 O ATOM 0 H GLU A 10 -8.683 -10.670 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.806 -9.734 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.228 -9.750 -1.195 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.893 -8.092 -0.734 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.713 -8.577 -0.674 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.008 -9.648 0.681 1.00 0.00 H new ATOM 127 N MET A 11 -8.979 -7.440 0.632 1.00 0.00 N ATOM 128 CA MET A 11 -9.594 -6.171 1.003 1.00 0.00 C ATOM 129 C MET A 11 -9.833 -6.102 2.508 1.00 0.00 C ATOM 130 O MET A 11 -9.565 -5.081 3.142 1.00 0.00 O ATOM 131 CB MET A 11 -10.916 -5.982 0.255 1.00 0.00 C ATOM 132 CG MET A 11 -11.340 -4.528 0.128 1.00 0.00 C ATOM 133 SD MET A 11 -11.337 -3.951 -1.580 1.00 0.00 S ATOM 134 CE MET A 11 -10.288 -2.505 -1.448 1.00 0.00 C ATOM 0 H MET A 11 -9.307 -7.825 -0.254 1.00 0.00 H new ATOM 0 HA MET A 11 -8.910 -5.369 0.725 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.825 -6.414 -0.742 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.699 -6.536 0.772 1.00 0.00 H new ATOM 0 HG2 MET A 11 -12.339 -4.407 0.547 1.00 0.00 H new ATOM 0 HG3 MET A 11 -10.669 -3.905 0.719 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.683 -2.411 -2.350 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.907 -1.616 -1.333 1.00 0.00 H new ATOM 0 HE3 MET A 11 -9.635 -2.607 -0.581 1.00 0.00 H new ATOM 142 N MET A 12 -10.338 -7.193 3.073 1.00 0.00 N ATOM 143 CA MET A 12 -10.612 -7.255 4.504 1.00 0.00 C ATOM 144 C MET A 12 -9.315 -7.250 5.306 1.00 0.00 C ATOM 145 O MET A 12 -9.163 -6.475 6.250 1.00 0.00 O ATOM 146 CB MET A 12 -11.425 -8.508 4.835 1.00 0.00 C ATOM 147 CG MET A 12 -11.736 -8.657 6.315 1.00 0.00 C ATOM 148 SD MET A 12 -13.301 -9.501 6.615 1.00 0.00 S ATOM 149 CE MET A 12 -13.847 -8.682 8.112 1.00 0.00 C ATOM 0 H MET A 12 -10.566 -8.046 2.562 1.00 0.00 H new ATOM 0 HA MET A 12 -11.191 -6.372 4.777 1.00 0.00 H new ATOM 0 HB2 MET A 12 -12.361 -8.482 4.276 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.876 -9.387 4.497 1.00 0.00 H new ATOM 0 HG2 MET A 12 -10.931 -9.211 6.797 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.765 -7.670 6.777 1.00 0.00 H new ATOM 0 HE1 MET A 12 -14.806 -9.096 8.424 1.00 0.00 H new ATOM 0 HE2 MET A 12 -13.111 -8.837 8.901 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.957 -7.614 7.923 1.00 0.00 H new ATOM 157 N GLU A 13 -8.385 -8.119 4.925 1.00 0.00 N ATOM 158 CA GLU A 13 -7.101 -8.213 5.610 1.00 0.00 C ATOM 159 C GLU A 13 -6.274 -6.950 5.394 1.00 0.00 C ATOM 160 O GLU A 13 -5.931 -6.248 6.347 1.00 0.00 O ATOM 161 CB GLU A 13 -6.323 -9.436 5.118 1.00 0.00 C ATOM 162 CG GLU A 13 -5.830 -10.335 6.239 1.00 0.00 C ATOM 163 CD GLU A 13 -4.602 -11.134 5.849 1.00 0.00 C ATOM 164 OE1 GLU A 13 -3.810 -11.484 6.749 1.00 0.00 O ATOM 165 OE2 GLU A 13 -4.432 -11.409 4.642 1.00 0.00 O ATOM 0 H GLU A 13 -8.496 -8.768 4.146 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.296 -8.320 6.677 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.960 -10.017 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.469 -9.100 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.600 -9.726 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.627 -11.020 6.528 1.00 0.00 H new ATOM 170 N LEU A 14 -5.957 -6.666 4.135 1.00 0.00 N ATOM 171 CA LEU A 14 -5.170 -5.486 3.793 1.00 0.00 C ATOM 172 C LEU A 14 -5.685 -4.255 4.529 1.00 0.00 C ATOM 173 O LEU A 14 -4.908 -3.501 5.118 1.00 0.00 O ATOM 174 CB LEU A 14 -5.208 -5.245 2.283 1.00 0.00 C ATOM 175 CG LEU A 14 -5.041 -6.482 1.400 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.899 -6.082 -0.060 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.838 -7.299 1.850 1.00 0.00 C ATOM 0 H LEU A 14 -6.232 -7.236 3.335 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.140 -5.665 4.101 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.158 -4.772 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.422 -4.534 2.029 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.934 -7.099 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.781 -6.976 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.790 -5.540 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.024 -5.443 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.734 -8.176 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.937 -6.689 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.980 -7.618 2.883 1.00 0.00 H new ATOM 188 N ARG A 15 -6.998 -4.056 4.495 1.00 0.00 N ATOM 189 CA ARG A 15 -7.618 -2.916 5.160 1.00 0.00 C ATOM 190 C ARG A 15 -7.425 -3.000 6.672 1.00 0.00 C ATOM 191 O ARG A 15 -7.081 -2.010 7.318 1.00 0.00 O ATOM 192 CB ARG A 15 -9.109 -2.853 4.828 1.00 0.00 C ATOM 193 CG ARG A 15 -9.864 -1.797 5.618 1.00 0.00 C ATOM 194 CD ARG A 15 -11.192 -2.330 6.134 1.00 0.00 C ATOM 195 NE ARG A 15 -12.329 -1.626 5.549 1.00 0.00 N ATOM 196 CZ ARG A 15 -12.821 -1.896 4.345 1.00 0.00 C ATOM 197 NH1 ARG A 15 -12.278 -2.851 3.603 1.00 0.00 N ATOM 198 NH2 ARG A 15 -13.859 -1.211 3.883 1.00 0.00 N ATOM 0 H ARG A 15 -7.654 -4.670 4.013 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.135 -2.008 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.227 -2.652 3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.557 -3.828 5.020 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.254 -1.464 6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.041 -0.926 4.987 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.268 -3.393 5.907 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.225 -2.232 7.219 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.770 -0.886 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.481 -3.380 3.956 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.657 -3.057 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.280 -0.477 4.452 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.236 -1.419 2.958 1.00 0.00 H new ATOM 209 N GLU A 16 -7.651 -4.185 7.228 1.00 0.00 N ATOM 210 CA GLU A 16 -7.504 -4.396 8.663 1.00 0.00 C ATOM 211 C GLU A 16 -6.157 -3.875 9.154 1.00 0.00 C ATOM 212 O GLU A 16 -6.095 -2.993 10.011 1.00 0.00 O ATOM 213 CB GLU A 16 -7.642 -5.883 9.000 1.00 0.00 C ATOM 214 CG GLU A 16 -7.084 -6.252 10.365 1.00 0.00 C ATOM 215 CD GLU A 16 -7.833 -5.583 11.501 1.00 0.00 C ATOM 216 OE1 GLU A 16 -7.465 -5.816 12.671 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.787 -4.827 11.220 1.00 0.00 O ATOM 0 H GLU A 16 -7.937 -5.014 6.707 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.295 -3.842 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.696 -6.160 8.961 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.130 -6.469 8.237 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.130 -7.334 10.492 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.032 -5.970 10.412 1.00 0.00 H new ATOM 222 N ALA A 17 -5.079 -4.427 8.605 1.00 0.00 N ATOM 223 CA ALA A 17 -3.733 -4.017 8.986 1.00 0.00 C ATOM 224 C ALA A 17 -3.500 -2.542 8.677 1.00 0.00 C ATOM 225 O ALA A 17 -3.122 -1.766 9.555 1.00 0.00 O ATOM 226 CB ALA A 17 -2.699 -4.877 8.274 1.00 0.00 C ATOM 0 H ALA A 17 -5.112 -5.159 7.895 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.628 -4.157 10.062 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.698 -4.560 8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.844 -5.922 8.548 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.813 -4.766 7.196 1.00 0.00 H new ATOM 232 N PHE A 18 -3.727 -2.162 7.424 1.00 0.00 N ATOM 233 CA PHE A 18 -3.540 -0.779 6.999 1.00 0.00 C ATOM 234 C PHE A 18 -4.084 0.189 8.044 1.00 0.00 C ATOM 235 O PHE A 18 -3.521 1.261 8.267 1.00 0.00 O ATOM 236 CB PHE A 18 -4.232 -0.538 5.656 1.00 0.00 C ATOM 237 CG PHE A 18 -4.166 0.890 5.195 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.251 1.279 4.231 1.00 0.00 C ATOM 239 CD2 PHE A 18 -5.020 1.843 5.728 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.189 2.592 3.804 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.962 3.157 5.305 1.00 0.00 C ATOM 242 CZ PHE A 18 -4.045 3.533 4.343 1.00 0.00 C ATOM 0 H PHE A 18 -4.041 -2.792 6.685 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.470 -0.601 6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.774 -1.177 4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.277 -0.838 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.578 0.548 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.738 1.555 6.482 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.472 2.882 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.634 3.890 5.727 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.997 4.560 4.013 1.00 0.00 H new ATOM 251 N ALA A 19 -5.184 -0.195 8.683 1.00 0.00 N ATOM 252 CA ALA A 19 -5.805 0.637 9.706 1.00 0.00 C ATOM 253 C ALA A 19 -4.866 0.843 10.890 1.00 0.00 C ATOM 254 O ALA A 19 -4.602 1.975 11.297 1.00 0.00 O ATOM 255 CB ALA A 19 -7.114 0.016 10.171 1.00 0.00 C ATOM 0 H ALA A 19 -5.664 -1.078 8.510 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.015 1.612 9.267 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.566 0.649 10.935 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.795 -0.074 9.325 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.920 -0.973 10.587 1.00 0.00 H new ATOM 261 N LYS A 20 -4.364 -0.257 11.440 1.00 0.00 N ATOM 262 CA LYS A 20 -3.453 -0.198 12.578 1.00 0.00 C ATOM 263 C LYS A 20 -2.238 0.666 12.257 1.00 0.00 C ATOM 264 O LYS A 20 -1.567 1.169 13.158 1.00 0.00 O ATOM 265 CB LYS A 20 -3.002 -1.607 12.969 1.00 0.00 C ATOM 266 CG LYS A 20 -3.933 -2.291 13.956 1.00 0.00 C ATOM 267 CD LYS A 20 -5.194 -2.794 13.276 1.00 0.00 C ATOM 268 CE LYS A 20 -4.944 -4.095 12.527 1.00 0.00 C ATOM 269 NZ LYS A 20 -4.835 -5.256 13.453 1.00 0.00 N ATOM 0 H LYS A 20 -4.573 -1.201 11.116 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.985 0.252 13.416 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.927 -2.218 12.070 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.003 -1.553 13.402 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.415 -3.126 14.427 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.200 -1.593 14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.974 -2.947 14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.560 -2.038 12.581 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.756 -4.269 11.820 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.027 -4.008 11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.055 -5.872 13.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.649 -4.914 14.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.725 -5.793 13.442 1.00 0.00 H new ATOM 279 N VAL A 21 -1.961 0.835 10.968 1.00 0.00 N ATOM 280 CA VAL A 21 -0.828 1.640 10.529 1.00 0.00 C ATOM 281 C VAL A 21 -1.294 2.951 9.906 1.00 0.00 C ATOM 282 O VAL A 21 -0.486 3.737 9.409 1.00 0.00 O ATOM 283 CB VAL A 21 0.039 0.880 9.509 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.375 0.492 10.127 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.696 -0.349 8.995 1.00 0.00 C ATOM 0 H VAL A 21 -2.506 0.425 10.210 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.230 1.854 11.415 1.00 0.00 H new ATOM 0 HB VAL A 21 0.234 1.539 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.974 -0.044 9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.905 1.391 10.441 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.203 -0.149 10.992 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.068 -0.874 8.275 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.924 -1.012 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.624 -0.043 8.512 1.00 0.00 H new ATOM 295 N ASP A 22 -2.602 3.182 9.936 1.00 0.00 N ATOM 296 CA ASP A 22 -3.176 4.400 9.376 1.00 0.00 C ATOM 297 C ASP A 22 -3.782 5.269 10.473 1.00 0.00 C ATOM 298 O ASP A 22 -4.901 5.768 10.338 1.00 0.00 O ATOM 299 CB ASP A 22 -4.241 4.054 8.335 1.00 0.00 C ATOM 300 CG ASP A 22 -4.782 5.282 7.630 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.047 5.864 6.803 1.00 0.00 O ATOM 302 OD2 ASP A 22 -5.940 5.661 7.902 1.00 0.00 O ATOM 0 H ASP A 22 -3.285 2.542 10.342 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.376 4.962 8.893 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.816 3.373 7.598 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.062 3.526 8.821 1.00 0.00 H new ATOM 306 N THR A 23 -3.038 5.447 11.560 1.00 0.00 N ATOM 307 CA THR A 23 -3.504 6.253 12.681 1.00 0.00 C ATOM 308 C THR A 23 -3.247 7.735 12.435 1.00 0.00 C ATOM 309 O THR A 23 -3.476 8.568 13.312 1.00 0.00 O ATOM 310 CB THR A 23 -2.817 5.837 13.997 1.00 0.00 C ATOM 311 OG1 THR A 23 -1.397 5.969 13.871 1.00 0.00 O ATOM 312 CG2 THR A 23 -3.166 4.401 14.358 1.00 0.00 C ATOM 0 H THR A 23 -2.110 5.044 11.688 1.00 0.00 H new ATOM 0 HA THR A 23 -4.577 6.081 12.770 1.00 0.00 H new ATOM 0 HB THR A 23 -3.174 6.493 14.791 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.968 5.705 14.712 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.670 4.129 15.290 1.00 0.00 H new ATOM 0 HG22 THR A 23 -4.245 4.309 14.481 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.833 3.735 13.562 1.00 0.00 H new ATOM 320 N ASP A 24 -2.773 8.058 11.237 1.00 0.00 N ATOM 321 CA ASP A 24 -2.489 9.442 10.875 1.00 0.00 C ATOM 322 C ASP A 24 -3.759 10.286 10.911 1.00 0.00 C ATOM 323 O ASP A 24 -3.700 11.515 10.919 1.00 0.00 O ATOM 324 CB ASP A 24 -1.857 9.507 9.484 1.00 0.00 C ATOM 325 CG ASP A 24 -0.810 8.431 9.271 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.190 7.293 8.928 1.00 0.00 O ATOM 327 OD2 ASP A 24 0.390 8.729 9.448 1.00 0.00 O ATOM 0 H ASP A 24 -2.577 7.381 10.500 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.787 9.846 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.637 9.405 8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.401 10.487 9.341 1.00 0.00 H new ATOM 331 N GLY A 25 -4.907 9.617 10.931 1.00 0.00 N ATOM 332 CA GLY A 25 -6.176 10.321 10.965 1.00 0.00 C ATOM 333 C GLY A 25 -6.466 11.054 9.670 1.00 0.00 C ATOM 334 O GLY A 25 -7.403 11.848 9.595 1.00 0.00 O ATOM 0 H GLY A 25 -4.981 8.600 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.978 9.610 11.164 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.171 11.034 11.789 1.00 0.00 H new ATOM 338 N ASN A 26 -5.660 10.788 8.647 1.00 0.00 N ATOM 339 CA ASN A 26 -5.834 11.430 7.349 1.00 0.00 C ATOM 340 C ASN A 26 -6.383 10.443 6.323 1.00 0.00 C ATOM 341 O ASN A 26 -6.928 10.840 5.295 1.00 0.00 O ATOM 342 CB ASN A 26 -4.504 12.005 6.859 1.00 0.00 C ATOM 343 CG ASN A 26 -3.785 12.798 7.933 1.00 0.00 C ATOM 344 OD1 ASN A 26 -4.264 13.845 8.372 1.00 0.00 O ATOM 345 ND2 ASN A 26 -2.631 12.302 8.362 1.00 0.00 N ATOM 0 H ASN A 26 -4.880 10.132 8.692 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.552 12.242 7.466 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.862 11.191 6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.685 12.647 5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.103 12.791 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.273 11.431 7.970 1.00 0.00 H new ATOM 351 N GLY A 27 -6.235 9.153 6.612 1.00 0.00 N ATOM 352 CA GLY A 27 -6.721 8.129 5.707 1.00 0.00 C ATOM 353 C GLY A 27 -5.597 7.416 4.981 1.00 0.00 C ATOM 354 O GLY A 27 -5.794 6.333 4.429 1.00 0.00 O ATOM 0 H GLY A 27 -5.787 8.800 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.307 7.401 6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.391 8.582 4.977 1.00 0.00 H new ATOM 358 N TYR A 28 -4.417 8.025 4.978 1.00 0.00 N ATOM 359 CA TYR A 28 -3.258 7.444 4.311 1.00 0.00 C ATOM 360 C TYR A 28 -2.121 7.207 5.300 1.00 0.00 C ATOM 361 O TYR A 28 -2.003 7.907 6.306 1.00 0.00 O ATOM 362 CB TYR A 28 -2.782 8.357 3.180 1.00 0.00 C ATOM 363 CG TYR A 28 -2.814 9.827 3.535 1.00 0.00 C ATOM 364 CD1 TYR A 28 -1.976 10.343 4.515 1.00 0.00 C ATOM 365 CD2 TYR A 28 -3.684 10.698 2.890 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.003 11.685 4.844 1.00 0.00 C ATOM 367 CE2 TYR A 28 -3.715 12.042 3.211 1.00 0.00 C ATOM 368 CZ TYR A 28 -2.874 12.530 4.188 1.00 0.00 C ATOM 369 OH TYR A 28 -2.903 13.867 4.511 1.00 0.00 O ATOM 0 H TYR A 28 -4.238 8.921 5.430 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.557 6.483 3.892 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.764 8.080 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -3.406 8.190 2.302 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.292 9.684 5.029 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.346 10.319 2.126 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.346 12.070 5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.395 12.707 2.699 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.570 14.323 3.957 1.00 0.00 H new ATOM 378 N ILE A 29 -1.287 6.216 5.007 1.00 0.00 N ATOM 379 CA ILE A 29 -0.158 5.886 5.868 1.00 0.00 C ATOM 380 C ILE A 29 1.149 6.412 5.287 1.00 0.00 C ATOM 381 O ILE A 29 1.170 6.988 4.199 1.00 0.00 O ATOM 382 CB ILE A 29 -0.038 4.366 6.082 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.364 3.676 4.777 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.349 3.799 6.606 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.356 2.166 4.865 1.00 0.00 C ATOM 0 H ILE A 29 -1.372 5.627 4.179 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.344 6.366 6.829 1.00 0.00 H new ATOM 0 HB ILE A 29 0.738 4.179 6.824 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.316 3.989 3.985 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.361 4.010 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.248 2.724 6.752 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.596 4.273 7.556 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.144 3.994 5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.651 1.744 3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.058 1.843 5.634 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.646 1.822 5.120 1.00 0.00 H new ATOM 396 N SER A 30 2.241 6.208 6.017 1.00 0.00 N ATOM 397 CA SER A 30 3.554 6.663 5.575 1.00 0.00 C ATOM 398 C SER A 30 4.348 5.514 4.960 1.00 0.00 C ATOM 399 O SER A 30 4.021 4.343 5.156 1.00 0.00 O ATOM 400 CB SER A 30 4.330 7.264 6.748 1.00 0.00 C ATOM 401 OG SER A 30 5.699 7.428 6.422 1.00 0.00 O ATOM 0 H SER A 30 2.242 5.730 6.918 1.00 0.00 H new ATOM 0 HA SER A 30 3.409 7.430 4.814 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.899 8.228 7.018 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.235 6.617 7.620 1.00 0.00 H new ATOM 0 HG SER A 30 6.173 7.815 7.187 1.00 0.00 H new ATOM 406 N PHE A 31 5.393 5.858 4.215 1.00 0.00 N ATOM 407 CA PHE A 31 6.234 4.857 3.570 1.00 0.00 C ATOM 408 C PHE A 31 6.555 3.716 4.529 1.00 0.00 C ATOM 409 O PHE A 31 6.256 2.555 4.251 1.00 0.00 O ATOM 410 CB PHE A 31 7.531 5.497 3.069 1.00 0.00 C ATOM 411 CG PHE A 31 7.559 5.711 1.582 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.811 6.721 1.001 1.00 0.00 C ATOM 413 CD2 PHE A 31 8.334 4.902 0.767 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.834 6.921 -0.366 1.00 0.00 C ATOM 415 CE2 PHE A 31 8.361 5.097 -0.600 1.00 0.00 C ATOM 416 CZ PHE A 31 7.610 6.108 -1.168 1.00 0.00 C ATOM 0 H PHE A 31 5.678 6.822 4.043 1.00 0.00 H new ATOM 0 HA PHE A 31 5.685 4.450 2.721 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.670 6.456 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.372 4.864 3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.202 7.360 1.624 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.923 4.110 1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.246 7.712 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.969 4.459 -1.225 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.630 6.262 -2.237 1.00 0.00 H new ATOM 425 N ASN A 32 7.164 4.054 5.661 1.00 0.00 N ATOM 426 CA ASN A 32 7.526 3.058 6.662 1.00 0.00 C ATOM 427 C ASN A 32 6.319 2.207 7.045 1.00 0.00 C ATOM 428 O ASN A 32 6.406 0.982 7.105 1.00 0.00 O ATOM 429 CB ASN A 32 8.098 3.740 7.907 1.00 0.00 C ATOM 430 CG ASN A 32 9.215 4.710 7.572 1.00 0.00 C ATOM 431 OD1 ASN A 32 9.029 5.926 7.615 1.00 0.00 O ATOM 432 ND2 ASN A 32 10.384 4.174 7.239 1.00 0.00 N ATOM 0 H ASN A 32 7.417 5.011 5.908 1.00 0.00 H new ATOM 0 HA ASN A 32 8.286 2.406 6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.301 4.273 8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.473 2.981 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 32 11.173 4.776 7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.492 3.160 7.217 1.00 0.00 H new ATOM 438 N GLU A 33 5.194 2.867 7.302 1.00 0.00 N ATOM 439 CA GLU A 33 3.970 2.171 7.679 1.00 0.00 C ATOM 440 C GLU A 33 3.554 1.178 6.597 1.00 0.00 C ATOM 441 O GLU A 33 3.129 0.060 6.895 1.00 0.00 O ATOM 442 CB GLU A 33 2.841 3.174 7.926 1.00 0.00 C ATOM 443 CG GLU A 33 3.157 4.191 9.010 1.00 0.00 C ATOM 444 CD GLU A 33 4.262 3.728 9.940 1.00 0.00 C ATOM 445 OE1 GLU A 33 3.988 2.866 10.802 1.00 0.00 O ATOM 446 OE2 GLU A 33 5.399 4.226 9.807 1.00 0.00 O ATOM 0 H GLU A 33 5.105 3.882 7.256 1.00 0.00 H new ATOM 0 HA GLU A 33 4.165 1.620 8.599 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.625 3.701 6.997 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.937 2.630 8.202 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.449 5.133 8.545 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.256 4.388 9.592 1.00 0.00 H new ATOM 451 N LEU A 34 3.679 1.593 5.341 1.00 0.00 N ATOM 452 CA LEU A 34 3.316 0.741 4.214 1.00 0.00 C ATOM 453 C LEU A 34 4.067 -0.586 4.271 1.00 0.00 C ATOM 454 O LEU A 34 3.460 -1.649 4.390 1.00 0.00 O ATOM 455 CB LEU A 34 3.615 1.453 2.894 1.00 0.00 C ATOM 456 CG LEU A 34 3.840 0.551 1.680 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.610 -0.306 1.418 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.184 1.382 0.454 1.00 0.00 C ATOM 0 H LEU A 34 4.029 2.514 5.078 1.00 0.00 H new ATOM 0 HA LEU A 34 2.247 0.536 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.787 2.127 2.672 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.502 2.072 3.031 1.00 0.00 H new ATOM 0 HG LEU A 34 4.680 -0.110 1.893 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.788 -0.942 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.408 -0.929 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.752 0.338 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.341 0.723 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.365 2.068 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.094 1.952 0.644 1.00 0.00 H new ATOM 469 N ASN A 35 5.391 -0.514 4.188 1.00 0.00 N ATOM 470 CA ASN A 35 6.226 -1.710 4.231 1.00 0.00 C ATOM 471 C ASN A 35 5.821 -2.614 5.391 1.00 0.00 C ATOM 472 O ASN A 35 5.684 -3.827 5.229 1.00 0.00 O ATOM 473 CB ASN A 35 7.700 -1.323 4.361 1.00 0.00 C ATOM 474 CG ASN A 35 8.152 -0.390 3.255 1.00 0.00 C ATOM 475 OD1 ASN A 35 7.547 0.657 3.024 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.223 -0.766 2.565 1.00 0.00 N ATOM 0 H ASN A 35 5.909 0.359 4.091 1.00 0.00 H new ATOM 0 HA ASN A 35 6.082 -2.258 3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.863 -0.844 5.326 1.00 0.00 H new ATOM 0 HB3 ASN A 35 8.312 -2.225 4.345 1.00 0.00 H new ATOM 0 HD21 ASN A 35 9.575 -0.178 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.693 -1.642 2.791 1.00 0.00 H new ATOM 482 N ASP A 36 5.630 -2.014 6.561 1.00 0.00 N ATOM 483 CA ASP A 36 5.238 -2.764 7.749 1.00 0.00 C ATOM 484 C ASP A 36 3.875 -3.421 7.554 1.00 0.00 C ATOM 485 O ASP A 36 3.643 -4.541 8.010 1.00 0.00 O ATOM 486 CB ASP A 36 5.204 -1.844 8.971 1.00 0.00 C ATOM 487 CG ASP A 36 6.588 -1.381 9.385 1.00 0.00 C ATOM 488 OD1 ASP A 36 7.567 -1.754 8.706 1.00 0.00 O ATOM 489 OD2 ASP A 36 6.690 -0.643 10.388 1.00 0.00 O ATOM 0 H ASP A 36 5.740 -1.011 6.712 1.00 0.00 H new ATOM 0 HA ASP A 36 5.978 -3.547 7.913 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.584 -0.975 8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.735 -2.368 9.804 1.00 0.00 H new ATOM 493 N LEU A 37 2.977 -2.717 6.874 1.00 0.00 N ATOM 494 CA LEU A 37 1.637 -3.230 6.618 1.00 0.00 C ATOM 495 C LEU A 37 1.688 -4.466 5.726 1.00 0.00 C ATOM 496 O LEU A 37 0.975 -5.442 5.957 1.00 0.00 O ATOM 497 CB LEU A 37 0.771 -2.151 5.965 1.00 0.00 C ATOM 498 CG LEU A 37 -0.331 -2.649 5.030 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.234 -3.638 5.750 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.142 -1.479 4.491 1.00 0.00 C ATOM 0 H LEU A 37 3.153 -1.789 6.490 1.00 0.00 H new ATOM 0 HA LEU A 37 1.195 -3.512 7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.309 -1.557 6.754 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.422 -1.482 5.402 1.00 0.00 H new ATOM 0 HG LEU A 37 0.136 -3.160 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.013 -3.982 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.644 -4.490 6.087 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.693 -3.152 6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.922 -1.852 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.599 -0.940 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.487 -0.806 3.938 1.00 0.00 H new ATOM 511 N PHE A 38 2.538 -4.417 4.704 1.00 0.00 N ATOM 512 CA PHE A 38 2.683 -5.534 3.777 1.00 0.00 C ATOM 513 C PHE A 38 3.056 -6.813 4.520 1.00 0.00 C ATOM 514 O PHE A 38 2.390 -7.840 4.385 1.00 0.00 O ATOM 515 CB PHE A 38 3.746 -5.214 2.724 1.00 0.00 C ATOM 516 CG PHE A 38 3.178 -4.942 1.361 1.00 0.00 C ATOM 517 CD1 PHE A 38 3.185 -5.925 0.385 1.00 0.00 C ATOM 518 CD2 PHE A 38 2.635 -3.705 1.056 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.663 -5.680 -0.871 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.110 -3.453 -0.198 1.00 0.00 C ATOM 521 CZ PHE A 38 2.125 -4.441 -1.163 1.00 0.00 C ATOM 0 H PHE A 38 3.136 -3.617 4.497 1.00 0.00 H new ATOM 0 HA PHE A 38 1.725 -5.690 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.319 -4.346 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.443 -6.049 2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.604 -6.895 0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.621 -2.928 1.806 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.676 -6.455 -1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.689 -2.484 -0.423 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.717 -4.246 -2.144 1.00 0.00 H new ATOM 530 N LYS A 39 4.125 -6.744 5.305 1.00 0.00 N ATOM 531 CA LYS A 39 4.588 -7.895 6.072 1.00 0.00 C ATOM 532 C LYS A 39 3.618 -8.221 7.204 1.00 0.00 C ATOM 533 O LYS A 39 3.413 -9.386 7.541 1.00 0.00 O ATOM 534 CB LYS A 39 5.982 -7.626 6.642 1.00 0.00 C ATOM 535 CG LYS A 39 6.943 -7.015 5.637 1.00 0.00 C ATOM 536 CD LYS A 39 8.388 -7.179 6.076 1.00 0.00 C ATOM 537 CE LYS A 39 8.961 -8.513 5.621 1.00 0.00 C ATOM 538 NZ LYS A 39 8.812 -9.564 6.666 1.00 0.00 N ATOM 0 H LYS A 39 4.688 -5.902 5.427 1.00 0.00 H new ATOM 0 HA LYS A 39 4.636 -8.752 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.892 -6.958 7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.402 -8.562 7.010 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.802 -7.486 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.717 -5.956 5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.988 -6.366 5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.450 -7.107 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.457 -8.833 4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.016 -8.391 5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.592 -10.247 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.835 -9.123 7.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.905 -10.056 6.536 1.00 0.00 H new ATOM 548 N ALA A 40 3.024 -7.183 7.785 1.00 0.00 N ATOM 549 CA ALA A 40 2.075 -7.360 8.877 1.00 0.00 C ATOM 550 C ALA A 40 0.819 -8.082 8.399 1.00 0.00 C ATOM 551 O ALA A 40 0.176 -8.801 9.164 1.00 0.00 O ATOM 552 CB ALA A 40 1.713 -6.013 9.485 1.00 0.00 C ATOM 0 H ALA A 40 3.183 -6.212 7.518 1.00 0.00 H new ATOM 0 HA ALA A 40 2.548 -7.976 9.642 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.004 -6.160 10.299 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.613 -5.534 9.870 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.263 -5.379 8.722 1.00 0.00 H new ATOM 558 N ALA A 41 0.474 -7.883 7.131 1.00 0.00 N ATOM 559 CA ALA A 41 -0.705 -8.516 6.553 1.00 0.00 C ATOM 560 C ALA A 41 -0.333 -9.800 5.817 1.00 0.00 C ATOM 561 O ALA A 41 -1.101 -10.298 4.993 1.00 0.00 O ATOM 562 CB ALA A 41 -1.412 -7.553 5.611 1.00 0.00 C ATOM 0 H ALA A 41 0.994 -7.289 6.485 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.383 -8.776 7.366 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.291 -8.039 5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.719 -6.664 6.162 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.733 -7.265 4.808 1.00 0.00 H new ATOM 568 N CYS A 42 0.847 -10.329 6.121 1.00 0.00 N ATOM 569 CA CYS A 42 1.320 -11.555 5.487 1.00 0.00 C ATOM 570 C CYS A 42 1.206 -11.462 3.969 1.00 0.00 C ATOM 571 O CYS A 42 0.532 -12.275 3.336 1.00 0.00 O ATOM 572 CB CYS A 42 0.525 -12.758 5.998 1.00 0.00 C ATOM 573 SG CYS A 42 1.393 -14.336 5.841 1.00 0.00 S ATOM 0 H CYS A 42 1.493 -9.929 6.801 1.00 0.00 H new ATOM 0 HA CYS A 42 2.371 -11.686 5.746 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.275 -12.596 7.046 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.416 -12.817 5.451 1.00 0.00 H new ATOM 0 HG CYS A 42 0.642 -15.292 6.301 1.00 0.00 H new ATOM 578 N LEU A 43 1.867 -10.465 3.392 1.00 0.00 N ATOM 579 CA LEU A 43 1.838 -10.263 1.947 1.00 0.00 C ATOM 580 C LEU A 43 2.806 -11.211 1.246 1.00 0.00 C ATOM 581 O LEU A 43 3.824 -11.621 1.803 1.00 0.00 O ATOM 582 CB LEU A 43 2.190 -8.814 1.607 1.00 0.00 C ATOM 583 CG LEU A 43 1.021 -7.829 1.582 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.444 -7.721 0.178 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.055 -8.250 2.572 1.00 0.00 C ATOM 0 H LEU A 43 2.430 -9.784 3.902 1.00 0.00 H new ATOM 0 HA LEU A 43 0.829 -10.477 1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.923 -8.459 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.674 -8.798 0.630 1.00 0.00 H new ATOM 0 HG LEU A 43 1.392 -6.848 1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.387 -7.016 0.179 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.216 -7.371 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.089 -8.699 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.878 -7.537 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.423 -9.242 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.365 -8.274 3.578 1.00 0.00 H new ATOM 596 N PRO A 44 2.484 -11.567 -0.006 1.00 0.00 N ATOM 597 CA PRO A 44 3.313 -12.468 -0.812 1.00 0.00 C ATOM 598 C PRO A 44 4.631 -11.825 -1.230 1.00 0.00 C ATOM 599 O PRO A 44 5.696 -12.431 -1.106 1.00 0.00 O ATOM 600 CB PRO A 44 2.443 -12.749 -2.039 1.00 0.00 C ATOM 601 CG PRO A 44 1.542 -11.567 -2.144 1.00 0.00 C ATOM 602 CD PRO A 44 1.285 -11.116 -0.733 1.00 0.00 C ATOM 0 HA PRO A 44 3.596 -13.364 -0.259 1.00 0.00 H new ATOM 0 HB2 PRO A 44 3.050 -12.865 -2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.874 -13.671 -1.918 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.006 -10.773 -2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.611 -11.830 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 44 1.162 -10.035 -0.673 1.00 0.00 H new ATOM 0 HD3 PRO A 44 0.377 -11.563 -0.327 1.00 0.00 H new ATOM 607 N LEU A 45 4.552 -10.593 -1.723 1.00 0.00 N ATOM 608 CA LEU A 45 5.740 -9.867 -2.159 1.00 0.00 C ATOM 609 C LEU A 45 6.755 -9.754 -1.026 1.00 0.00 C ATOM 610 O LEU A 45 6.402 -9.630 0.147 1.00 0.00 O ATOM 611 CB LEU A 45 5.355 -8.472 -2.655 1.00 0.00 C ATOM 612 CG LEU A 45 4.324 -8.422 -3.784 1.00 0.00 C ATOM 613 CD1 LEU A 45 4.602 -7.247 -4.708 1.00 0.00 C ATOM 614 CD2 LEU A 45 4.324 -9.728 -4.564 1.00 0.00 C ATOM 0 H LEU A 45 3.679 -10.077 -1.831 1.00 0.00 H new ATOM 0 HA LEU A 45 6.197 -10.424 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.967 -7.902 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.259 -7.966 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 45 3.336 -8.286 -3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.859 -7.227 -5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.550 -6.318 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.596 -7.353 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.585 -9.675 -5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.312 -9.895 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.076 -10.552 -3.895 1.00 0.00 H new ATOM 625 N PRO A 46 8.048 -9.796 -1.383 1.00 0.00 N ATOM 626 CA PRO A 46 9.141 -9.697 -0.411 1.00 0.00 C ATOM 627 C PRO A 46 9.252 -8.302 0.196 1.00 0.00 C ATOM 628 O PRO A 46 8.358 -7.472 0.037 1.00 0.00 O ATOM 629 CB PRO A 46 10.385 -10.019 -1.243 1.00 0.00 C ATOM 630 CG PRO A 46 10.012 -9.655 -2.639 1.00 0.00 C ATOM 631 CD PRO A 46 8.541 -9.942 -2.763 1.00 0.00 C ATOM 0 HA PRO A 46 8.994 -10.365 0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.248 -9.447 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.651 -11.073 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 46 10.223 -8.604 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 46 10.585 -10.237 -3.361 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.051 -9.243 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.358 -10.944 -3.151 1.00 0.00 H new ATOM 636 N GLY A 47 10.357 -8.051 0.892 1.00 0.00 N ATOM 637 CA GLY A 47 10.565 -6.755 1.512 1.00 0.00 C ATOM 638 C GLY A 47 11.093 -5.724 0.536 1.00 0.00 C ATOM 639 O GLY A 47 10.668 -4.568 0.551 1.00 0.00 O ATOM 0 H GLY A 47 11.112 -8.722 1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.624 -6.403 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.266 -6.860 2.340 1.00 0.00 H new ATOM 643 N TYR A 48 12.025 -6.140 -0.315 1.00 0.00 N ATOM 644 CA TYR A 48 12.616 -5.242 -1.300 1.00 0.00 C ATOM 645 C TYR A 48 11.592 -4.844 -2.359 1.00 0.00 C ATOM 646 O TYR A 48 11.570 -3.702 -2.819 1.00 0.00 O ATOM 647 CB TYR A 48 13.823 -5.904 -1.966 1.00 0.00 C ATOM 648 CG TYR A 48 13.478 -7.164 -2.728 1.00 0.00 C ATOM 649 CD1 TYR A 48 13.126 -7.112 -4.072 1.00 0.00 C ATOM 650 CD2 TYR A 48 13.503 -8.406 -2.106 1.00 0.00 C ATOM 651 CE1 TYR A 48 12.809 -8.260 -4.772 1.00 0.00 C ATOM 652 CE2 TYR A 48 13.190 -9.559 -2.798 1.00 0.00 C ATOM 653 CZ TYR A 48 12.843 -9.481 -4.131 1.00 0.00 C ATOM 654 OH TYR A 48 12.528 -10.627 -4.825 1.00 0.00 O ATOM 0 H TYR A 48 12.387 -7.093 -0.342 1.00 0.00 H new ATOM 0 HA TYR A 48 12.944 -4.341 -0.781 1.00 0.00 H new ATOM 0 HB2 TYR A 48 14.287 -5.192 -2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.564 -6.142 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.100 -6.158 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.772 -8.471 -1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.536 -8.202 -5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.217 -10.516 -2.299 1.00 0.00 H new ATOM 0 HH TYR A 48 12.601 -11.401 -4.229 1.00 0.00 H new ATOM 663 N ARG A 49 10.745 -5.795 -2.740 1.00 0.00 N ATOM 664 CA ARG A 49 9.718 -5.546 -3.744 1.00 0.00 C ATOM 665 C ARG A 49 8.817 -4.388 -3.323 1.00 0.00 C ATOM 666 O ARG A 49 8.595 -3.449 -4.089 1.00 0.00 O ATOM 667 CB ARG A 49 8.878 -6.804 -3.969 1.00 0.00 C ATOM 668 CG ARG A 49 9.399 -7.692 -5.087 1.00 0.00 C ATOM 669 CD ARG A 49 8.634 -7.465 -6.382 1.00 0.00 C ATOM 670 NE ARG A 49 9.405 -6.681 -7.343 1.00 0.00 N ATOM 671 CZ ARG A 49 8.918 -6.259 -8.505 1.00 0.00 C ATOM 672 NH1 ARG A 49 7.670 -6.544 -8.848 1.00 0.00 N ATOM 673 NH2 ARG A 49 9.682 -5.551 -9.327 1.00 0.00 N ATOM 0 H ARG A 49 10.750 -6.745 -2.368 1.00 0.00 H new ATOM 0 HA ARG A 49 10.214 -5.278 -4.677 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.846 -7.380 -3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.853 -6.511 -4.197 1.00 0.00 H new ATOM 0 HG2 ARG A 49 10.458 -7.491 -5.249 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.314 -8.738 -4.792 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.375 -8.427 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.697 -6.952 -6.164 1.00 0.00 H new ATOM 0 HE ARG A 49 10.369 -6.445 -7.110 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.080 -7.089 -8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.299 -6.218 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.643 -5.331 -9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.308 -5.227 -10.219 1.00 0.00 H new ATOM 684 N VAL A 50 8.297 -4.462 -2.102 1.00 0.00 N ATOM 685 CA VAL A 50 7.421 -3.421 -1.580 1.00 0.00 C ATOM 686 C VAL A 50 8.148 -2.084 -1.489 1.00 0.00 C ATOM 687 O VAL A 50 7.700 -1.083 -2.049 1.00 0.00 O ATOM 688 CB VAL A 50 6.875 -3.792 -0.188 1.00 0.00 C ATOM 689 CG1 VAL A 50 5.938 -2.710 0.325 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.173 -5.140 -0.234 1.00 0.00 C ATOM 0 H VAL A 50 8.468 -5.233 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 50 6.588 -3.331 -2.277 1.00 0.00 H new ATOM 0 HB VAL A 50 7.714 -3.868 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.563 -2.990 1.309 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.478 -1.766 0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.101 -2.597 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.793 -5.387 0.758 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.343 -5.094 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.879 -5.907 -0.553 1.00 0.00 H new ATOM 700 N ARG A 51 9.272 -2.076 -0.780 1.00 0.00 N ATOM 701 CA ARG A 51 10.062 -0.861 -0.616 1.00 0.00 C ATOM 702 C ARG A 51 10.442 -0.272 -1.970 1.00 0.00 C ATOM 703 O ARG A 51 10.437 0.946 -2.152 1.00 0.00 O ATOM 704 CB ARG A 51 11.324 -1.155 0.197 1.00 0.00 C ATOM 705 CG ARG A 51 12.177 0.074 0.463 1.00 0.00 C ATOM 706 CD ARG A 51 13.626 -0.156 0.063 1.00 0.00 C ATOM 707 NE ARG A 51 14.143 0.928 -0.770 1.00 0.00 N ATOM 708 CZ ARG A 51 14.562 2.091 -0.285 1.00 0.00 C ATOM 709 NH1 ARG A 51 14.527 2.320 1.021 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.019 3.028 -1.105 1.00 0.00 N ATOM 0 H ARG A 51 9.656 -2.896 -0.310 1.00 0.00 H new ATOM 0 HA ARG A 51 9.454 -0.132 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.037 -1.601 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.923 -1.895 -0.333 1.00 0.00 H new ATOM 0 HG2 ARG A 51 11.776 0.923 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.127 0.331 1.521 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.239 -0.248 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.708 -1.099 -0.478 1.00 0.00 H new ATOM 0 HE ARG A 51 14.184 0.783 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.178 1.602 1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.849 3.214 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.049 2.856 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.340 3.921 -0.731 1.00 0.00 H new ATOM 721 N GLU A 52 10.772 -1.144 -2.918 1.00 0.00 N ATOM 722 CA GLU A 52 11.156 -0.708 -4.256 1.00 0.00 C ATOM 723 C GLU A 52 9.965 -0.104 -4.993 1.00 0.00 C ATOM 724 O GLU A 52 10.051 0.999 -5.535 1.00 0.00 O ATOM 725 CB GLU A 52 11.723 -1.883 -5.055 1.00 0.00 C ATOM 726 CG GLU A 52 11.974 -1.559 -6.518 1.00 0.00 C ATOM 727 CD GLU A 52 12.753 -2.645 -7.231 1.00 0.00 C ATOM 728 OE1 GLU A 52 13.810 -2.329 -7.819 1.00 0.00 O ATOM 729 OE2 GLU A 52 12.309 -3.812 -7.204 1.00 0.00 O ATOM 0 H GLU A 52 10.781 -2.155 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 52 11.925 0.058 -4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.658 -2.205 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.031 -2.723 -4.991 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.019 -1.412 -7.022 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.521 -0.619 -6.589 1.00 0.00 H new ATOM 734 N ILE A 53 8.855 -0.834 -5.013 1.00 0.00 N ATOM 735 CA ILE A 53 7.647 -0.371 -5.683 1.00 0.00 C ATOM 736 C ILE A 53 7.267 1.033 -5.224 1.00 0.00 C ATOM 737 O ILE A 53 6.930 1.894 -6.037 1.00 0.00 O ATOM 738 CB ILE A 53 6.461 -1.320 -5.428 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.706 -2.671 -6.105 1.00 0.00 C ATOM 740 CG2 ILE A 53 5.167 -0.697 -5.927 1.00 0.00 C ATOM 741 CD1 ILE A 53 6.045 -3.831 -5.396 1.00 0.00 C ATOM 0 H ILE A 53 8.768 -1.750 -4.572 1.00 0.00 H new ATOM 0 HA ILE A 53 7.866 -0.356 -6.751 1.00 0.00 H new ATOM 0 HB ILE A 53 6.370 -1.485 -4.354 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.339 -2.626 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.780 -2.852 -6.158 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.338 -1.380 -5.740 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.989 0.242 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.244 -0.506 -6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.261 -4.756 -5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.429 -3.902 -4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.967 -3.673 -5.366 1.00 0.00 H new ATOM 752 N THR A 54 7.326 1.258 -3.916 1.00 0.00 N ATOM 753 CA THR A 54 6.990 2.557 -3.347 1.00 0.00 C ATOM 754 C THR A 54 7.998 3.620 -3.769 1.00 0.00 C ATOM 755 O THR A 54 7.642 4.607 -4.410 1.00 0.00 O ATOM 756 CB THR A 54 6.934 2.501 -1.809 1.00 0.00 C ATOM 757 OG1 THR A 54 6.670 1.161 -1.377 1.00 0.00 O ATOM 758 CG2 THR A 54 5.858 3.432 -1.273 1.00 0.00 C ATOM 0 H THR A 54 7.604 0.557 -3.230 1.00 0.00 H new ATOM 0 HA THR A 54 6.004 2.823 -3.729 1.00 0.00 H new ATOM 0 HB THR A 54 7.899 2.825 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.467 0.609 -1.519 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.837 3.375 -0.185 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.077 4.455 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.888 3.134 -1.670 1.00 0.00 H new ATOM 766 N GLU A 55 9.259 3.409 -3.404 1.00 0.00 N ATOM 767 CA GLU A 55 10.320 4.350 -3.746 1.00 0.00 C ATOM 768 C GLU A 55 10.343 4.623 -5.247 1.00 0.00 C ATOM 769 O GLU A 55 10.769 5.689 -5.689 1.00 0.00 O ATOM 770 CB GLU A 55 11.677 3.809 -3.294 1.00 0.00 C ATOM 771 CG GLU A 55 12.382 4.700 -2.284 1.00 0.00 C ATOM 772 CD GLU A 55 13.505 5.509 -2.902 1.00 0.00 C ATOM 773 OE1 GLU A 55 13.460 5.746 -4.128 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.429 5.905 -2.162 1.00 0.00 O ATOM 0 H GLU A 55 9.571 2.596 -2.872 1.00 0.00 H new ATOM 0 HA GLU A 55 10.120 5.287 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.537 2.820 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.318 3.685 -4.167 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.656 5.378 -1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.784 4.084 -1.480 1.00 0.00 H new ATOM 779 N ASN A 56 9.881 3.651 -6.026 1.00 0.00 N ATOM 780 CA ASN A 56 9.850 3.784 -7.478 1.00 0.00 C ATOM 781 C ASN A 56 8.560 4.459 -7.935 1.00 0.00 C ATOM 782 O ASN A 56 8.511 5.072 -9.001 1.00 0.00 O ATOM 783 CB ASN A 56 9.981 2.411 -8.141 1.00 0.00 C ATOM 784 CG ASN A 56 11.412 1.907 -8.148 1.00 0.00 C ATOM 785 OD1 ASN A 56 12.036 1.762 -7.097 1.00 0.00 O ATOM 786 ND2 ASN A 56 11.939 1.640 -9.337 1.00 0.00 N ATOM 0 H ASN A 56 9.523 2.762 -5.676 1.00 0.00 H new ATOM 0 HA ASN A 56 10.693 4.407 -7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.349 1.695 -7.616 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.614 2.469 -9.166 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.898 1.300 -9.405 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.385 1.775 -10.182 1.00 0.00 H new ATOM 792 N LEU A 57 7.518 4.344 -7.119 1.00 0.00 N ATOM 793 CA LEU A 57 6.227 4.944 -7.437 1.00 0.00 C ATOM 794 C LEU A 57 6.326 6.466 -7.466 1.00 0.00 C ATOM 795 O LEU A 57 6.092 7.093 -8.500 1.00 0.00 O ATOM 796 CB LEU A 57 5.175 4.510 -6.415 1.00 0.00 C ATOM 797 CG LEU A 57 3.868 3.961 -6.989 1.00 0.00 C ATOM 798 CD1 LEU A 57 4.084 2.576 -7.580 1.00 0.00 C ATOM 799 CD2 LEU A 57 2.789 3.922 -5.917 1.00 0.00 C ATOM 0 H LEU A 57 7.542 3.841 -6.232 1.00 0.00 H new ATOM 0 HA LEU A 57 5.928 4.599 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.615 3.747 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.939 5.365 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 57 3.537 4.626 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.143 2.202 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.824 2.632 -8.378 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.440 1.900 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.866 3.529 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.113 3.280 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.614 4.930 -5.540 1.00 0.00 H new ATOM 810 N MET A 58 6.676 7.053 -6.327 1.00 0.00 N ATOM 811 CA MET A 58 6.810 8.502 -6.224 1.00 0.00 C ATOM 812 C MET A 58 8.098 8.978 -6.889 1.00 0.00 C ATOM 813 O MET A 58 8.276 10.171 -7.135 1.00 0.00 O ATOM 814 CB MET A 58 6.791 8.934 -4.756 1.00 0.00 C ATOM 815 CG MET A 58 7.767 8.162 -3.883 1.00 0.00 C ATOM 816 SD MET A 58 9.190 9.153 -3.390 1.00 0.00 S ATOM 817 CE MET A 58 9.244 8.817 -1.632 1.00 0.00 C ATOM 0 H MET A 58 6.872 6.549 -5.462 1.00 0.00 H new ATOM 0 HA MET A 58 5.965 8.957 -6.741 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.024 9.997 -4.695 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.783 8.806 -4.361 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.249 7.808 -2.992 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.112 7.280 -4.423 1.00 0.00 H new ATOM 0 HE1 MET A 58 9.968 9.479 -1.157 1.00 0.00 H new ATOM 0 HE2 MET A 58 8.258 8.987 -1.199 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.539 7.780 -1.469 1.00 0.00 H new ATOM 825 N ALA A 59 8.992 8.038 -7.177 1.00 0.00 N ATOM 826 CA ALA A 59 10.263 8.362 -7.815 1.00 0.00 C ATOM 827 C ALA A 59 10.053 9.254 -9.033 1.00 0.00 C ATOM 828 O ALA A 59 10.947 10.001 -9.431 1.00 0.00 O ATOM 829 CB ALA A 59 10.994 7.087 -8.209 1.00 0.00 C ATOM 0 H ALA A 59 8.860 7.046 -6.979 1.00 0.00 H new ATOM 0 HA ALA A 59 10.874 8.911 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.941 7.343 -8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 59 11.185 6.487 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.381 6.517 -8.906 1.00 0.00 H new ATOM 835 N THR A 60 8.865 9.169 -9.625 1.00 0.00 N ATOM 836 CA THR A 60 8.539 9.967 -10.801 1.00 0.00 C ATOM 837 C THR A 60 7.537 11.064 -10.460 1.00 0.00 C ATOM 838 O THR A 60 7.807 12.248 -10.654 1.00 0.00 O ATOM 839 CB THR A 60 7.962 9.093 -11.931 1.00 0.00 C ATOM 840 OG1 THR A 60 7.095 8.095 -11.383 1.00 0.00 O ATOM 841 CG2 THR A 60 9.077 8.425 -12.720 1.00 0.00 C ATOM 0 H THR A 60 8.113 8.556 -9.309 1.00 0.00 H new ATOM 0 HA THR A 60 9.469 10.421 -11.143 1.00 0.00 H new ATOM 0 HB THR A 60 7.396 9.736 -12.605 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.731 7.544 -12.107 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.646 7.813 -13.512 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.719 9.188 -13.160 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.666 7.794 -12.054 1.00 0.00 H new ATOM 849 N GLY A 61 6.377 10.662 -9.948 1.00 0.00 N ATOM 850 CA GLY A 61 5.351 11.623 -9.588 1.00 0.00 C ATOM 851 C GLY A 61 4.047 10.959 -9.193 1.00 0.00 C ATOM 852 O GLY A 61 2.971 11.403 -9.594 1.00 0.00 O ATOM 0 H GLY A 61 6.130 9.687 -9.776 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.707 12.237 -8.761 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.174 12.293 -10.429 1.00 0.00 H new ATOM 856 N ASP A 62 4.142 9.891 -8.408 1.00 0.00 N ATOM 857 CA ASP A 62 2.961 9.164 -7.960 1.00 0.00 C ATOM 858 C ASP A 62 2.444 9.728 -6.640 1.00 0.00 C ATOM 859 O ASP A 62 1.268 10.075 -6.518 1.00 0.00 O ATOM 860 CB ASP A 62 3.280 7.676 -7.804 1.00 0.00 C ATOM 861 CG ASP A 62 3.236 6.934 -9.125 1.00 0.00 C ATOM 862 OD1 ASP A 62 4.013 7.295 -10.034 1.00 0.00 O ATOM 863 OD2 ASP A 62 2.427 5.991 -9.249 1.00 0.00 O ATOM 0 H ASP A 62 5.025 9.510 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 62 2.183 9.283 -8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.269 7.564 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.568 7.225 -7.113 1.00 0.00 H new ATOM 867 N LEU A 63 3.329 9.814 -5.653 1.00 0.00 N ATOM 868 CA LEU A 63 2.963 10.334 -4.340 1.00 0.00 C ATOM 869 C LEU A 63 3.304 11.817 -4.228 1.00 0.00 C ATOM 870 O LEU A 63 3.503 12.337 -3.129 1.00 0.00 O ATOM 871 CB LEU A 63 3.680 9.550 -3.241 1.00 0.00 C ATOM 872 CG LEU A 63 3.442 8.039 -3.230 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.134 7.537 -4.632 1.00 0.00 C ATOM 874 CD2 LEU A 63 4.650 7.314 -2.655 1.00 0.00 C ATOM 0 H LEU A 63 4.305 9.530 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 63 1.886 10.217 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.751 9.728 -3.335 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.373 9.953 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 63 2.581 7.830 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.968 6.460 -4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.239 8.033 -5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.974 7.758 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.464 6.240 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.528 7.530 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.825 7.652 -1.634 1.00 0.00 H new ATOM 885 N ASP A 64 3.368 12.492 -5.370 1.00 0.00 N ATOM 886 CA ASP A 64 3.681 13.916 -5.399 1.00 0.00 C ATOM 887 C ASP A 64 2.695 14.708 -4.546 1.00 0.00 C ATOM 888 O ASP A 64 2.977 15.834 -4.137 1.00 0.00 O ATOM 889 CB ASP A 64 3.659 14.435 -6.838 1.00 0.00 C ATOM 890 CG ASP A 64 4.559 15.640 -7.032 1.00 0.00 C ATOM 891 OD1 ASP A 64 4.370 16.367 -8.030 1.00 0.00 O ATOM 892 OD2 ASP A 64 5.452 15.855 -6.186 1.00 0.00 O ATOM 0 H ASP A 64 3.207 12.076 -6.288 1.00 0.00 H new ATOM 0 HA ASP A 64 4.681 14.051 -4.986 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.972 13.639 -7.513 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.637 14.700 -7.110 1.00 0.00 H new ATOM 896 N GLN A 65 1.536 14.111 -4.282 1.00 0.00 N ATOM 897 CA GLN A 65 0.508 14.761 -3.478 1.00 0.00 C ATOM 898 C GLN A 65 1.086 15.267 -2.160 1.00 0.00 C ATOM 899 O GLN A 65 0.650 16.289 -1.632 1.00 0.00 O ATOM 900 CB GLN A 65 -0.645 13.794 -3.206 1.00 0.00 C ATOM 901 CG GLN A 65 -0.492 13.014 -1.911 1.00 0.00 C ATOM 902 CD GLN A 65 -1.690 12.134 -1.614 1.00 0.00 C ATOM 903 OE1 GLN A 65 -2.802 12.408 -2.065 1.00 0.00 O ATOM 904 NE2 GLN A 65 -1.469 11.070 -0.851 1.00 0.00 N ATOM 0 H GLN A 65 1.286 13.179 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 65 0.130 15.616 -4.039 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -1.579 14.355 -3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.723 13.092 -4.036 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.403 12.395 -1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -0.345 13.712 -1.086 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.531 10.881 -0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.238 10.442 -0.617 1.00 0.00 H new ATOM 911 N ASP A 66 2.068 14.543 -1.635 1.00 0.00 N ATOM 912 CA ASP A 66 2.706 14.917 -0.378 1.00 0.00 C ATOM 913 C ASP A 66 3.781 13.907 0.009 1.00 0.00 C ATOM 914 O ASP A 66 4.722 14.232 0.733 1.00 0.00 O ATOM 915 CB ASP A 66 1.663 15.024 0.736 1.00 0.00 C ATOM 916 CG ASP A 66 1.499 16.443 1.242 1.00 0.00 C ATOM 917 OD1 ASP A 66 1.138 16.613 2.426 1.00 0.00 O ATOM 918 OD2 ASP A 66 1.732 17.383 0.455 1.00 0.00 O ATOM 0 H ASP A 66 2.440 13.694 -2.060 1.00 0.00 H new ATOM 0 HA ASP A 66 3.180 15.889 -0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.704 14.660 0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.953 14.377 1.564 1.00 0.00 H new ATOM 922 N GLY A 67 3.634 12.678 -0.479 1.00 0.00 N ATOM 923 CA GLY A 67 4.599 11.639 -0.174 1.00 0.00 C ATOM 924 C GLY A 67 3.997 10.511 0.642 1.00 0.00 C ATOM 925 O GLY A 67 4.646 9.492 0.878 1.00 0.00 O ATOM 0 H GLY A 67 2.864 12.385 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.001 11.236 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.435 12.073 0.374 1.00 0.00 H new ATOM 929 N ARG A 68 2.754 10.694 1.074 1.00 0.00 N ATOM 930 CA ARG A 68 2.065 9.684 1.871 1.00 0.00 C ATOM 931 C ARG A 68 1.612 8.519 0.995 1.00 0.00 C ATOM 932 O ARG A 68 1.992 8.422 -0.171 1.00 0.00 O ATOM 933 CB ARG A 68 0.860 10.301 2.583 1.00 0.00 C ATOM 934 CG ARG A 68 1.140 11.672 3.178 1.00 0.00 C ATOM 935 CD ARG A 68 2.255 11.613 4.211 1.00 0.00 C ATOM 936 NE ARG A 68 1.995 12.491 5.348 1.00 0.00 N ATOM 937 CZ ARG A 68 2.930 12.874 6.210 1.00 0.00 C ATOM 938 NH1 ARG A 68 4.180 12.459 6.065 1.00 0.00 N ATOM 939 NH2 ARG A 68 2.615 13.675 7.220 1.00 0.00 N ATOM 0 H ARG A 68 2.203 11.531 0.886 1.00 0.00 H new ATOM 0 HA ARG A 68 2.763 9.305 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.034 10.383 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.535 9.629 3.377 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.415 12.366 2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.233 12.061 3.641 1.00 0.00 H new ATOM 0 HD2 ARG A 68 2.369 10.588 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 68 3.198 11.896 3.743 1.00 0.00 H new ATOM 0 HE ARG A 68 1.043 12.829 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.426 11.844 5.290 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.896 12.755 6.729 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.654 13.997 7.335 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.334 13.969 7.881 1.00 0.00 H new ATOM 950 N ILE A 69 0.797 7.640 1.569 1.00 0.00 N ATOM 951 CA ILE A 69 0.291 6.482 0.841 1.00 0.00 C ATOM 952 C ILE A 69 -1.097 6.087 1.334 1.00 0.00 C ATOM 953 O ILE A 69 -1.243 5.504 2.407 1.00 0.00 O ATOM 954 CB ILE A 69 1.235 5.273 0.979 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.622 5.618 0.431 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.659 4.066 0.256 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.638 4.514 0.624 1.00 0.00 C ATOM 0 H ILE A 69 0.473 7.707 2.534 1.00 0.00 H new ATOM 0 HA ILE A 69 0.234 6.770 -0.209 1.00 0.00 H new ATOM 0 HB ILE A 69 1.333 5.025 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.538 5.842 -0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.983 6.523 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.338 3.220 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.309 3.811 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.535 4.300 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.598 4.827 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.750 4.305 1.688 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.299 3.614 0.111 1.00 0.00 H new ATOM 968 N SER A 70 -2.114 6.407 0.539 1.00 0.00 N ATOM 969 CA SER A 70 -3.491 6.087 0.895 1.00 0.00 C ATOM 970 C SER A 70 -3.818 4.636 0.556 1.00 0.00 C ATOM 971 O SER A 70 -3.243 4.058 -0.367 1.00 0.00 O ATOM 972 CB SER A 70 -4.459 7.023 0.168 1.00 0.00 C ATOM 973 OG SER A 70 -5.121 6.350 -0.889 1.00 0.00 O ATOM 0 H SER A 70 -2.010 6.887 -0.355 1.00 0.00 H new ATOM 0 HA SER A 70 -3.603 6.224 1.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.194 7.411 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 70 -3.914 7.880 -0.227 1.00 0.00 H new ATOM 0 HG SER A 70 -5.572 7.005 -1.462 1.00 0.00 H new ATOM 978 N PHE A 71 -4.745 4.053 1.308 1.00 0.00 N ATOM 979 CA PHE A 71 -5.148 2.669 1.089 1.00 0.00 C ATOM 980 C PHE A 71 -5.331 2.385 -0.400 1.00 0.00 C ATOM 981 O PHE A 71 -4.980 1.309 -0.885 1.00 0.00 O ATOM 982 CB PHE A 71 -6.447 2.369 1.840 1.00 0.00 C ATOM 983 CG PHE A 71 -6.738 0.901 1.970 1.00 0.00 C ATOM 984 CD1 PHE A 71 -8.042 0.434 1.938 1.00 0.00 C ATOM 985 CD2 PHE A 71 -5.707 -0.013 2.127 1.00 0.00 C ATOM 986 CE1 PHE A 71 -8.313 -0.916 2.057 1.00 0.00 C ATOM 987 CE2 PHE A 71 -5.972 -1.363 2.246 1.00 0.00 C ATOM 988 CZ PHE A 71 -7.277 -1.816 2.213 1.00 0.00 C ATOM 0 H PHE A 71 -5.232 4.518 2.075 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.358 2.022 1.470 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.392 2.810 2.835 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.276 2.851 1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.856 1.133 1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.685 0.335 2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.334 -1.267 2.028 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -5.160 -2.065 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.486 -2.871 2.309 1.00 0.00 H new ATOM 997 N ASP A 72 -5.882 3.357 -1.117 1.00 0.00 N ATOM 998 CA ASP A 72 -6.111 3.213 -2.551 1.00 0.00 C ATOM 999 C ASP A 72 -4.826 2.814 -3.269 1.00 0.00 C ATOM 1000 O ASP A 72 -4.792 1.818 -3.991 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.654 4.519 -3.135 1.00 0.00 C ATOM 1002 CG ASP A 72 -8.123 4.425 -3.495 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.842 3.629 -2.855 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.555 5.148 -4.417 1.00 0.00 O ATOM 0 H ASP A 72 -6.179 4.253 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.848 2.424 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -6.510 5.324 -2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -6.081 4.782 -4.024 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.773 3.599 -3.067 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.487 3.328 -3.697 1.00 0.00 C ATOM 1010 C GLU A 73 -1.975 1.942 -3.317 1.00 0.00 C ATOM 1011 O GLU A 73 -1.504 1.187 -4.168 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.462 4.390 -3.293 1.00 0.00 C ATOM 1013 CG GLU A 73 -1.178 5.409 -4.385 1.00 0.00 C ATOM 1014 CD GLU A 73 -2.131 6.588 -4.344 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.474 7.111 -5.425 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -2.534 6.987 -3.231 1.00 0.00 O ATOM 0 H GLU A 73 -3.785 4.427 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.628 3.361 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.822 4.911 -2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.530 3.897 -3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.155 5.770 -4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.249 4.923 -5.358 1.00 0.00 H new ATOM 1021 N PHE A 74 -2.073 1.613 -2.034 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.619 0.319 -1.539 1.00 0.00 C ATOM 1023 C PHE A 74 -2.248 -0.819 -2.338 1.00 0.00 C ATOM 1024 O PHE A 74 -1.551 -1.714 -2.817 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.964 0.167 -0.056 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.739 -1.222 0.472 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.666 -2.225 0.239 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.600 -1.524 1.201 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.462 -3.503 0.723 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.391 -2.800 1.688 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.324 -3.791 1.450 1.00 0.00 C ATOM 0 H PHE A 74 -2.463 2.225 -1.317 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.537 0.270 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.363 0.869 0.523 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -3.008 0.440 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.559 -2.005 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.133 -0.753 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.192 -4.276 0.533 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.501 -3.023 2.254 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.164 -4.788 1.832 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.568 -0.777 -2.477 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.291 -1.803 -3.218 1.00 0.00 C ATOM 1042 C ILE A 75 -3.802 -1.887 -4.661 1.00 0.00 C ATOM 1043 O ILE A 75 -3.380 -2.945 -5.125 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.808 -1.536 -3.216 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.340 -1.498 -1.782 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.534 -2.599 -4.028 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.198 -2.814 -1.050 1.00 0.00 C ATOM 0 H ILE A 75 -4.159 -0.043 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.097 -2.751 -2.716 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.991 -0.566 -3.677 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.810 -0.724 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.392 -1.214 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.605 -2.397 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.172 -2.582 -5.056 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.346 -3.581 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.596 -2.713 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.751 -3.588 -1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.145 -3.090 -0.999 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.863 -0.761 -5.365 1.00 0.00 N ATOM 1059 CA LYS A 76 -3.423 -0.705 -6.755 1.00 0.00 C ATOM 1060 C LYS A 76 -2.000 -1.233 -6.897 1.00 0.00 C ATOM 1061 O LYS A 76 -1.637 -1.795 -7.932 1.00 0.00 O ATOM 1062 CB LYS A 76 -3.500 0.732 -7.277 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.675 0.823 -8.783 1.00 0.00 C ATOM 1064 CD LYS A 76 -2.901 1.996 -9.364 1.00 0.00 C ATOM 1065 CE LYS A 76 -1.501 1.582 -9.791 1.00 0.00 C ATOM 1066 NZ LYS A 76 -0.531 2.707 -9.676 1.00 0.00 N ATOM 0 H LYS A 76 -4.212 0.124 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.086 -1.337 -7.346 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.332 1.242 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.591 1.262 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.336 -0.103 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.733 0.930 -9.022 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.440 2.400 -10.221 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.836 2.793 -8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.165 0.748 -9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.525 1.227 -10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.411 2.385 -9.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.838 3.493 -10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.488 3.029 -8.688 1.00 0.00 H new ATOM 1076 N ILE A 77 -1.198 -1.051 -5.854 1.00 0.00 N ATOM 1077 CA ILE A 77 0.185 -1.512 -5.863 1.00 0.00 C ATOM 1078 C ILE A 77 0.260 -3.025 -5.691 1.00 0.00 C ATOM 1079 O ILE A 77 1.057 -3.697 -6.346 1.00 0.00 O ATOM 1080 CB ILE A 77 1.010 -0.838 -4.752 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.192 0.651 -5.054 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.362 -1.523 -4.606 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.362 1.502 -3.814 1.00 0.00 C ATOM 0 H ILE A 77 -1.482 -0.587 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 77 0.604 -1.238 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 77 0.471 -0.936 -3.810 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.064 0.780 -5.696 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.328 1.008 -5.615 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.934 -1.035 -3.817 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.213 -2.572 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.909 -1.453 -5.546 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.486 2.546 -4.103 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.480 1.403 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.243 1.171 -3.263 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.576 -3.557 -4.805 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.604 -4.992 -4.546 1.00 0.00 C ATOM 1096 C PHE A 78 -1.029 -5.761 -5.794 1.00 0.00 C ATOM 1097 O PHE A 78 -0.485 -6.823 -6.097 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.557 -5.304 -3.390 1.00 0.00 C ATOM 1099 CG PHE A 78 -1.734 -6.775 -3.140 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -2.963 -7.382 -3.339 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -0.671 -7.550 -2.705 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.129 -8.735 -3.110 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -0.831 -8.902 -2.474 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.061 -9.496 -2.676 1.00 0.00 C ATOM 0 H PHE A 78 -1.243 -3.016 -4.254 1.00 0.00 H new ATOM 0 HA PHE A 78 0.403 -5.307 -4.272 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.181 -4.832 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.530 -4.860 -3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.801 -6.791 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.294 -7.091 -2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.092 -9.196 -3.270 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.006 -9.495 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.188 -10.553 -2.495 1.00 0.00 H new ATOM 1113 N HIS A 79 -2.007 -5.218 -6.511 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.506 -5.852 -7.726 1.00 0.00 C ATOM 1115 C HIS A 79 -1.578 -5.575 -8.905 1.00 0.00 C ATOM 1116 O HIS A 79 -1.398 -6.422 -9.779 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.916 -5.353 -8.045 1.00 0.00 C ATOM 1118 CG HIS A 79 -4.978 -6.390 -7.844 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.776 -6.857 -8.867 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.370 -7.052 -6.730 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.614 -7.761 -8.390 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.388 -7.898 -7.096 1.00 0.00 N ATOM 0 H HIS A 79 -2.470 -4.341 -6.272 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.538 -6.928 -7.557 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.138 -4.491 -7.416 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.946 -5.010 -9.079 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -4.959 -6.936 -5.738 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.357 -8.297 -8.961 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.888 -8.529 -6.470 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.990 -4.383 -8.922 1.00 0.00 N ATOM 1130 CA GLY A 80 -0.087 -4.016 -9.998 1.00 0.00 C ATOM 1131 C GLY A 80 -0.733 -4.142 -11.364 1.00 0.00 C ATOM 1132 O GLY A 80 -0.237 -4.864 -12.229 1.00 0.00 O ATOM 0 H GLY A 80 -1.123 -3.665 -8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 80 0.250 -2.990 -9.852 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.798 -4.651 -9.958 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.843 -3.438 -11.559 1.00 0.00 N ATOM 1137 CA LEU A 81 -2.559 -3.475 -12.829 1.00 0.00 C ATOM 1138 C LEU A 81 -2.746 -2.069 -13.390 1.00 0.00 C ATOM 1139 O LEU A 81 -3.189 -1.162 -12.685 1.00 0.00 O ATOM 1140 CB LEU A 81 -3.919 -4.151 -12.651 1.00 0.00 C ATOM 1141 CG LEU A 81 -5.114 -3.430 -13.276 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -5.051 -3.512 -14.794 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -6.420 -4.018 -12.763 1.00 0.00 C ATOM 0 H LEU A 81 -2.266 -2.835 -10.854 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.964 -4.052 -13.537 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -3.862 -5.153 -13.075 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.108 -4.267 -11.584 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.073 -2.380 -12.986 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.909 -2.994 -15.222 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.132 -3.044 -15.146 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.067 -4.557 -15.103 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -7.259 -3.493 -13.219 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.470 -5.075 -13.023 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.468 -3.908 -11.680 1.00 0.00 H new ATOM 1154 N LYS A 82 -2.408 -1.896 -14.663 1.00 0.00 N ATOM 1155 CA LYS A 82 -2.542 -0.601 -15.321 1.00 0.00 C ATOM 1156 C LYS A 82 -3.981 -0.098 -15.245 1.00 0.00 C ATOM 1157 O LYS A 82 -4.293 0.801 -14.464 1.00 0.00 O ATOM 1158 CB LYS A 82 -2.103 -0.701 -16.784 1.00 0.00 C ATOM 1159 CG LYS A 82 -0.600 -0.590 -16.976 1.00 0.00 C ATOM 1160 CD LYS A 82 -0.255 0.003 -18.332 1.00 0.00 C ATOM 1161 CE LYS A 82 1.154 -0.374 -18.762 1.00 0.00 C ATOM 1162 NZ LYS A 82 1.756 0.656 -19.653 1.00 0.00 N ATOM 0 H LYS A 82 -2.039 -2.636 -15.260 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.899 0.110 -14.802 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.444 -1.652 -17.193 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.593 0.086 -17.357 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.176 0.032 -16.187 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -0.146 -1.577 -16.883 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.970 -0.348 -19.076 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.346 1.088 -18.290 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.781 -0.502 -17.880 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.132 -1.333 -19.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.716 0.362 -19.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.172 0.761 -20.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.801 1.566 -19.151 1.00 0.00 H new TER 1172 LYS A 82