USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 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 39 HIS : no HD1:sc= -8.81! C(o=-19!,f=-22!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= -9.89! C(o=-19!,f=-27!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0178) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc=-0.00568 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= -4.06! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -4.21 K(o=-4.2,f=-9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -7.77! K(o=-7.8!,f=-4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0384 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -87:sc= 0.181 USER MOD Single : A 21 THR OG1 : rot 51:sc= -1.93! USER MOD Single : A 26 HIS : no HD1:sc= -1.95 K(o=-2,f=-1.1) USER MOD Single : A 27 HIS : no HD1:sc= -4.34! C(o=-4.3!,f=-2.5!) USER MOD Single : A 33 THR OG1 : rot -83:sc= 0.866 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.73 K(o=-1.7,f=-3.3) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -28:sc= 0.203 USER MOD Single : A 71 SER OG : rot 160:sc= 0.946 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00762) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -1.99 K(o=-2,f=-4.2!) USER MOD Single : A 85 SER OG : rot 6:sc= 0.977 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 14.871 13.674 -27.400 1.00 0.00 N ATOM 2 CA VAL A 4 14.620 14.490 -26.224 1.00 0.00 C ATOM 3 C VAL A 4 15.852 14.464 -25.317 1.00 0.00 C ATOM 4 O VAL A 4 16.639 13.521 -25.360 1.00 0.00 O ATOM 5 CB VAL A 4 13.349 14.013 -25.519 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.666 13.473 -24.123 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.308 15.133 -25.449 1.00 0.00 C ATOM 0 HA VAL A 4 14.449 15.528 -26.509 1.00 0.00 H new ATOM 0 HB VAL A 4 12.926 13.198 -26.106 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.745 13.141 -23.644 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.356 12.633 -24.206 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.123 14.260 -23.524 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.414 14.768 -24.943 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.719 15.977 -24.895 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.049 15.452 -26.458 1.00 0.00 H new ATOM 17 N LYS A 5 15.981 15.514 -24.518 1.00 0.00 N ATOM 18 CA LYS A 5 17.104 15.623 -23.602 1.00 0.00 C ATOM 19 C LYS A 5 16.701 15.059 -22.238 1.00 0.00 C ATOM 20 O LYS A 5 15.607 15.333 -21.748 1.00 0.00 O ATOM 21 CB LYS A 5 17.610 17.066 -23.546 1.00 0.00 C ATOM 22 CG LYS A 5 16.514 18.012 -23.054 1.00 0.00 C ATOM 23 CD LYS A 5 15.698 18.563 -24.225 1.00 0.00 C ATOM 24 CE LYS A 5 16.004 20.044 -24.459 1.00 0.00 C ATOM 25 NZ LYS A 5 15.251 20.886 -23.503 1.00 0.00 N ATOM 0 H LYS A 5 15.327 16.296 -24.486 1.00 0.00 H new ATOM 0 HA LYS A 5 17.945 15.028 -23.957 1.00 0.00 H new ATOM 0 HB2 LYS A 5 18.473 17.127 -22.883 1.00 0.00 H new ATOM 0 HB3 LYS A 5 17.946 17.376 -24.536 1.00 0.00 H new ATOM 0 HG2 LYS A 5 15.856 17.484 -22.364 1.00 0.00 H new ATOM 0 HG3 LYS A 5 16.962 18.836 -22.499 1.00 0.00 H new ATOM 0 HD2 LYS A 5 15.922 17.995 -25.128 1.00 0.00 H new ATOM 0 HD3 LYS A 5 14.634 18.435 -24.024 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.073 20.223 -24.346 1.00 0.00 H new ATOM 0 HE3 LYS A 5 15.741 20.319 -25.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.470 21.888 -23.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 14.231 20.728 -23.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.522 20.635 -22.531 1.00 0.00 H new ATOM 39 N TYR A 6 17.608 14.281 -21.664 1.00 0.00 N ATOM 40 CA TYR A 6 17.361 13.677 -20.367 1.00 0.00 C ATOM 41 C TYR A 6 17.604 14.681 -19.238 1.00 0.00 C ATOM 42 O TYR A 6 18.751 14.981 -18.906 1.00 0.00 O ATOM 43 CB TYR A 6 18.365 12.530 -20.238 1.00 0.00 C ATOM 44 CG TYR A 6 18.010 11.296 -21.070 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.720 10.804 -21.060 1.00 0.00 C ATOM 46 CD2 TYR A 6 18.979 10.674 -21.831 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.386 9.643 -21.843 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.645 9.513 -22.614 1.00 0.00 C ATOM 49 CZ TYR A 6 17.365 9.055 -22.581 1.00 0.00 C ATOM 50 OH TYR A 6 17.049 7.957 -23.321 1.00 0.00 O ATOM 0 H TYR A 6 18.514 14.056 -22.074 1.00 0.00 H new ATOM 0 HA TYR A 6 16.327 13.339 -20.292 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.350 12.887 -20.539 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.437 12.240 -19.190 1.00 0.00 H new ATOM 0 HD1 TYR A 6 15.961 11.290 -20.465 1.00 0.00 H new ATOM 0 HD2 TYR A 6 19.988 11.058 -21.839 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.381 9.248 -21.844 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.394 9.017 -23.214 1.00 0.00 H new ATOM 0 HH TYR A 6 17.846 7.643 -23.798 1.00 0.00 H new ATOM 60 N TYR A 7 16.508 15.172 -18.679 1.00 0.00 N ATOM 61 CA TYR A 7 16.588 16.137 -17.595 1.00 0.00 C ATOM 62 C TYR A 7 16.209 15.493 -16.260 1.00 0.00 C ATOM 63 O TYR A 7 15.169 14.843 -16.154 1.00 0.00 O ATOM 64 CB TYR A 7 15.573 17.231 -17.928 1.00 0.00 C ATOM 65 CG TYR A 7 14.618 16.868 -19.068 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.589 15.975 -18.847 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.785 17.433 -20.315 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.689 15.633 -19.919 1.00 0.00 C ATOM 69 CE2 TYR A 7 13.887 17.092 -21.386 1.00 0.00 C ATOM 70 CZ TYR A 7 12.883 16.209 -21.135 1.00 0.00 C ATOM 71 OH TYR A 7 12.034 15.886 -22.148 1.00 0.00 O ATOM 0 H TYR A 7 15.559 14.920 -18.956 1.00 0.00 H new ATOM 0 HA TYR A 7 17.602 16.525 -17.500 1.00 0.00 H new ATOM 0 HB2 TYR A 7 14.989 17.454 -17.035 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.110 18.142 -18.193 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.458 15.533 -17.870 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.590 18.132 -20.488 1.00 0.00 H new ATOM 0 HE1 TYR A 7 11.880 14.936 -19.760 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.007 17.527 -22.367 1.00 0.00 H new ATOM 0 HH TYR A 7 12.133 16.534 -22.877 1.00 0.00 H new ATOM 81 N THR A 8 17.070 15.697 -15.275 1.00 0.00 N ATOM 82 CA THR A 8 16.838 15.146 -13.951 1.00 0.00 C ATOM 83 C THR A 8 15.886 16.042 -13.159 1.00 0.00 C ATOM 84 O THR A 8 15.760 17.231 -13.450 1.00 0.00 O ATOM 85 CB THR A 8 18.197 14.953 -13.274 1.00 0.00 C ATOM 86 OG1 THR A 8 18.670 16.281 -13.062 1.00 0.00 O ATOM 87 CG2 THR A 8 19.235 14.332 -14.210 1.00 0.00 C ATOM 0 H THR A 8 17.930 16.237 -15.367 1.00 0.00 H new ATOM 0 HA THR A 8 16.346 14.175 -14.008 1.00 0.00 H new ATOM 0 HB THR A 8 18.078 14.320 -12.395 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.547 16.250 -12.625 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.180 14.217 -13.680 1.00 0.00 H new ATOM 0 HG22 THR A 8 18.885 13.355 -14.544 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.380 14.981 -15.074 1.00 0.00 H new ATOM 95 N LEU A 9 15.237 15.439 -12.173 1.00 0.00 N ATOM 96 CA LEU A 9 14.300 16.169 -11.337 1.00 0.00 C ATOM 97 C LEU A 9 14.806 17.599 -11.138 1.00 0.00 C ATOM 98 O LEU A 9 14.017 18.543 -11.121 1.00 0.00 O ATOM 99 CB LEU A 9 14.052 15.416 -10.027 1.00 0.00 C ATOM 100 CG LEU A 9 13.128 14.202 -10.116 1.00 0.00 C ATOM 101 CD1 LEU A 9 13.345 13.441 -11.426 1.00 0.00 C ATOM 102 CD2 LEU A 9 13.293 13.295 -8.894 1.00 0.00 C ATOM 0 H LEU A 9 15.342 14.453 -11.935 1.00 0.00 H new ATOM 0 HA LEU A 9 13.329 16.240 -11.826 1.00 0.00 H new ATOM 0 HB2 LEU A 9 15.013 15.088 -9.632 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.632 16.115 -9.303 1.00 0.00 H new ATOM 0 HG LEU A 9 12.098 14.558 -10.117 1.00 0.00 H new ATOM 0 HD11 LEU A 9 12.675 12.582 -11.463 1.00 0.00 H new ATOM 0 HD12 LEU A 9 13.137 14.100 -12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 9 14.378 13.098 -11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 9 12.624 12.439 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.324 12.945 -8.837 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.049 13.854 -7.991 1.00 0.00 H new ATOM 114 N GLU A 10 16.118 17.714 -10.993 1.00 0.00 N ATOM 115 CA GLU A 10 16.738 19.013 -10.797 1.00 0.00 C ATOM 116 C GLU A 10 16.053 20.065 -11.672 1.00 0.00 C ATOM 117 O GLU A 10 16.005 21.241 -11.312 1.00 0.00 O ATOM 118 CB GLU A 10 18.240 18.953 -11.084 1.00 0.00 C ATOM 119 CG GLU A 10 19.009 19.921 -10.184 1.00 0.00 C ATOM 120 CD GLU A 10 20.506 19.888 -10.496 1.00 0.00 C ATOM 121 OE1 GLU A 10 21.162 18.930 -10.030 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.962 20.819 -11.193 1.00 0.00 O ATOM 0 H GLU A 10 16.769 16.929 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 10 16.613 19.300 -9.753 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.604 17.938 -10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.424 19.199 -12.130 1.00 0.00 H new ATOM 0 HG2 GLU A 10 18.627 20.933 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.846 19.659 -9.139 1.00 0.00 H new ATOM 129 N GLU A 11 15.542 19.605 -12.804 1.00 0.00 N ATOM 130 CA GLU A 11 14.864 20.492 -13.733 1.00 0.00 C ATOM 131 C GLU A 11 13.353 20.461 -13.489 1.00 0.00 C ATOM 132 O GLU A 11 12.734 21.503 -13.280 1.00 0.00 O ATOM 133 CB GLU A 11 15.192 20.125 -15.182 1.00 0.00 C ATOM 134 CG GLU A 11 16.695 19.904 -15.364 1.00 0.00 C ATOM 135 CD GLU A 11 17.497 21.022 -14.695 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.712 22.051 -15.373 1.00 0.00 O ATOM 137 OE2 GLU A 11 17.880 20.822 -13.522 1.00 0.00 O ATOM 0 H GLU A 11 15.584 18.629 -13.099 1.00 0.00 H new ATOM 0 HA GLU A 11 15.221 21.507 -13.561 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.651 19.222 -15.464 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.854 20.919 -15.848 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.979 18.942 -14.938 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.935 19.865 -16.427 1.00 0.00 H new ATOM 144 N ILE A 12 12.805 19.257 -13.524 1.00 0.00 N ATOM 145 CA ILE A 12 11.379 19.076 -13.309 1.00 0.00 C ATOM 146 C ILE A 12 10.962 19.818 -12.038 1.00 0.00 C ATOM 147 O ILE A 12 9.899 20.437 -11.997 1.00 0.00 O ATOM 148 CB ILE A 12 11.022 17.588 -13.296 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.417 16.920 -14.615 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.542 17.381 -12.969 1.00 0.00 C ATOM 151 CD1 ILE A 12 11.375 15.395 -14.490 1.00 0.00 C ATOM 0 H ILE A 12 13.322 18.395 -13.698 1.00 0.00 H new ATOM 0 HA ILE A 12 10.812 19.509 -14.134 1.00 0.00 H new ATOM 0 HB ILE A 12 11.596 17.105 -12.505 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.741 17.243 -15.407 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.419 17.238 -14.902 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.316 16.315 -12.966 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.324 17.801 -11.987 1.00 0.00 H new ATOM 0 HG23 ILE A 12 8.930 17.880 -13.720 1.00 0.00 H new ATOM 0 HD11 ILE A 12 11.660 14.944 -15.441 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.070 15.074 -13.714 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.366 15.079 -14.227 1.00 0.00 H new ATOM 163 N GLN A 13 11.819 19.733 -11.032 1.00 0.00 N ATOM 164 CA GLN A 13 11.553 20.389 -9.763 1.00 0.00 C ATOM 165 C GLN A 13 11.398 21.898 -9.967 1.00 0.00 C ATOM 166 O GLN A 13 10.541 22.526 -9.349 1.00 0.00 O ATOM 167 CB GLN A 13 12.654 20.084 -8.747 1.00 0.00 C ATOM 168 CG GLN A 13 12.708 18.589 -8.428 1.00 0.00 C ATOM 169 CD GLN A 13 11.321 17.954 -8.538 1.00 0.00 C ATOM 170 OE1 GLN A 13 10.545 17.931 -7.597 1.00 0.00 O ATOM 171 NE2 GLN A 13 11.053 17.443 -9.736 1.00 0.00 N ATOM 0 H GLN A 13 12.699 19.219 -11.070 1.00 0.00 H new ATOM 0 HA GLN A 13 10.617 19.998 -9.364 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.617 20.410 -9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.475 20.648 -7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.395 18.092 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.100 18.442 -7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.748 17.496 -10.480 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.152 16.998 -9.911 1.00 0.00 H new ATOM 180 N LYS A 14 12.241 22.434 -10.838 1.00 0.00 N ATOM 181 CA LYS A 14 12.209 23.856 -11.132 1.00 0.00 C ATOM 182 C LYS A 14 10.972 24.170 -11.975 1.00 0.00 C ATOM 183 O LYS A 14 10.683 25.334 -12.251 1.00 0.00 O ATOM 184 CB LYS A 14 13.523 24.300 -11.779 1.00 0.00 C ATOM 185 CG LYS A 14 14.220 25.363 -10.928 1.00 0.00 C ATOM 186 CD LYS A 14 13.770 26.770 -11.329 1.00 0.00 C ATOM 187 CE LYS A 14 14.969 27.711 -11.468 1.00 0.00 C ATOM 188 NZ LYS A 14 14.562 29.109 -11.205 1.00 0.00 N ATOM 0 H LYS A 14 12.950 21.909 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 14 12.123 24.433 -10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.181 23.440 -11.903 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.326 24.697 -12.775 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.998 25.193 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 14 15.300 25.276 -11.044 1.00 0.00 H new ATOM 0 HD2 LYS A 14 13.226 26.727 -12.273 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.080 27.162 -10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.753 27.417 -10.770 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.388 27.630 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.387 29.735 -11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.830 29.392 -11.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.183 29.184 -10.239 1.00 0.00 H new ATOM 202 N HIS A 15 10.273 23.113 -12.360 1.00 0.00 N ATOM 203 CA HIS A 15 9.073 23.261 -13.167 1.00 0.00 C ATOM 204 C HIS A 15 7.856 22.797 -12.365 1.00 0.00 C ATOM 205 O HIS A 15 7.034 22.031 -12.865 1.00 0.00 O ATOM 206 CB HIS A 15 9.221 22.525 -14.500 1.00 0.00 C ATOM 207 CG HIS A 15 10.515 22.816 -15.222 1.00 0.00 C ATOM 208 ND1 HIS A 15 10.815 24.059 -15.752 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.582 22.013 -15.497 1.00 0.00 C ATOM 210 CE1 HIS A 15 12.012 23.995 -16.318 1.00 0.00 C ATOM 211 NE2 HIS A 15 12.485 22.726 -16.158 1.00 0.00 N ATOM 0 H HIS A 15 10.514 22.149 -12.128 1.00 0.00 H new ATOM 0 HA HIS A 15 8.923 24.312 -13.414 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.150 21.452 -14.321 1.00 0.00 H new ATOM 0 HB3 HIS A 15 8.387 22.796 -15.147 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.676 20.973 -15.223 1.00 0.00 H new ATOM 0 HE1 HIS A 15 12.523 24.805 -16.818 1.00 0.00 H new ATOM 0 HE2 HIS A 15 13.385 22.381 -16.492 1.00 0.00 H new ATOM 219 N LYS A 16 7.778 23.282 -11.134 1.00 0.00 N ATOM 220 CA LYS A 16 6.675 22.926 -10.258 1.00 0.00 C ATOM 221 C LYS A 16 5.776 24.148 -10.055 1.00 0.00 C ATOM 222 O LYS A 16 5.671 24.668 -8.945 1.00 0.00 O ATOM 223 CB LYS A 16 7.199 22.325 -8.953 1.00 0.00 C ATOM 224 CG LYS A 16 6.047 21.963 -8.014 1.00 0.00 C ATOM 225 CD LYS A 16 6.512 21.942 -6.557 1.00 0.00 C ATOM 226 CE LYS A 16 6.505 20.518 -5.999 1.00 0.00 C ATOM 227 NZ LYS A 16 7.838 20.165 -5.461 1.00 0.00 N ATOM 0 H LYS A 16 8.461 23.918 -10.723 1.00 0.00 H new ATOM 0 HA LYS A 16 6.061 22.150 -10.715 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.789 21.435 -9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.863 23.036 -8.462 1.00 0.00 H new ATOM 0 HG2 LYS A 16 5.238 22.684 -8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.645 20.987 -8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.517 22.359 -6.486 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.861 22.575 -5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.755 20.433 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.225 19.815 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.815 19.195 -5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.546 20.226 -6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.090 20.825 -4.698 1.00 0.00 H new ATOM 241 N ASP A 17 5.153 24.571 -11.145 1.00 0.00 N ATOM 242 CA ASP A 17 4.268 25.722 -11.101 1.00 0.00 C ATOM 243 C ASP A 17 3.327 25.684 -12.307 1.00 0.00 C ATOM 244 O ASP A 17 3.665 25.115 -13.344 1.00 0.00 O ATOM 245 CB ASP A 17 5.060 27.031 -11.160 1.00 0.00 C ATOM 246 CG ASP A 17 4.574 28.125 -10.208 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.046 27.752 -9.138 1.00 0.00 O ATOM 248 OD2 ASP A 17 4.743 29.309 -10.571 1.00 0.00 O ATOM 0 H ASP A 17 5.244 24.137 -12.064 1.00 0.00 H new ATOM 0 HA ASP A 17 3.710 25.681 -10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.105 26.816 -10.938 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.023 27.415 -12.180 1.00 0.00 H new ATOM 253 N SER A 18 2.167 26.298 -12.132 1.00 0.00 N ATOM 254 CA SER A 18 1.175 26.341 -13.193 1.00 0.00 C ATOM 255 C SER A 18 1.856 26.619 -14.535 1.00 0.00 C ATOM 256 O SER A 18 1.629 25.905 -15.510 1.00 0.00 O ATOM 257 CB SER A 18 0.109 27.402 -12.909 1.00 0.00 C ATOM 258 OG SER A 18 0.679 28.697 -12.736 1.00 0.00 O ATOM 0 H SER A 18 1.891 26.770 -11.271 1.00 0.00 H new ATOM 0 HA SER A 18 0.680 25.371 -13.238 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.606 27.427 -13.731 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.446 27.127 -12.012 1.00 0.00 H new ATOM 0 HG SER A 18 -0.033 29.347 -12.558 1.00 0.00 H new ATOM 264 N LYS A 19 2.679 27.657 -14.540 1.00 0.00 N ATOM 265 CA LYS A 19 3.395 28.038 -15.746 1.00 0.00 C ATOM 266 C LYS A 19 3.948 26.783 -16.424 1.00 0.00 C ATOM 267 O LYS A 19 3.590 26.478 -17.560 1.00 0.00 O ATOM 268 CB LYS A 19 4.463 29.086 -15.426 1.00 0.00 C ATOM 269 CG LYS A 19 4.166 30.407 -16.138 1.00 0.00 C ATOM 270 CD LYS A 19 5.145 30.640 -17.291 1.00 0.00 C ATOM 271 CE LYS A 19 4.818 29.733 -18.479 1.00 0.00 C ATOM 272 NZ LYS A 19 5.945 29.711 -19.439 1.00 0.00 N ATOM 0 H LYS A 19 2.866 28.246 -13.729 1.00 0.00 H new ATOM 0 HA LYS A 19 2.719 28.512 -16.457 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.505 29.251 -14.349 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.442 28.717 -15.730 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.145 30.397 -16.519 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.233 31.231 -15.427 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.103 31.684 -17.603 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.163 30.449 -16.952 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.613 28.722 -18.127 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.915 30.087 -18.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.707 29.091 -20.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.122 30.674 -19.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.798 29.352 -18.965 1.00 0.00 H new ATOM 286 N SER A 20 4.810 26.087 -15.697 1.00 0.00 N ATOM 287 CA SER A 20 5.416 24.872 -16.213 1.00 0.00 C ATOM 288 C SER A 20 5.352 23.766 -15.159 1.00 0.00 C ATOM 289 O SER A 20 6.137 23.761 -14.211 1.00 0.00 O ATOM 290 CB SER A 20 6.865 25.117 -16.639 1.00 0.00 C ATOM 291 OG SER A 20 7.181 24.459 -17.863 1.00 0.00 O ATOM 0 H SER A 20 5.103 26.342 -14.754 1.00 0.00 H new ATOM 0 HA SER A 20 4.855 24.558 -17.093 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.034 26.188 -16.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.537 24.767 -15.855 1.00 0.00 H new ATOM 0 HG SER A 20 7.472 23.542 -17.676 1.00 0.00 H new ATOM 297 N THR A 21 4.409 22.857 -15.358 1.00 0.00 N ATOM 298 CA THR A 21 4.232 21.748 -14.436 1.00 0.00 C ATOM 299 C THR A 21 4.117 20.429 -15.203 1.00 0.00 C ATOM 300 O THR A 21 3.184 20.239 -15.980 1.00 0.00 O ATOM 301 CB THR A 21 3.013 22.050 -13.562 1.00 0.00 C ATOM 302 OG1 THR A 21 3.530 22.874 -12.519 1.00 0.00 O ATOM 303 CG2 THR A 21 2.492 20.809 -12.833 1.00 0.00 C ATOM 0 H THR A 21 3.759 22.866 -16.144 1.00 0.00 H new ATOM 0 HA THR A 21 5.098 21.634 -13.784 1.00 0.00 H new ATOM 0 HB THR A 21 2.218 22.468 -14.180 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.046 23.610 -12.909 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.627 21.079 -12.227 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.202 20.053 -13.563 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.275 20.410 -12.189 1.00 0.00 H new ATOM 311 N TRP A 22 5.080 19.553 -14.957 1.00 0.00 N ATOM 312 CA TRP A 22 5.098 18.257 -15.614 1.00 0.00 C ATOM 313 C TRP A 22 4.952 17.179 -14.539 1.00 0.00 C ATOM 314 O TRP A 22 4.731 17.490 -13.369 1.00 0.00 O ATOM 315 CB TRP A 22 6.362 18.090 -16.460 1.00 0.00 C ATOM 316 CG TRP A 22 6.827 19.376 -17.147 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.071 20.361 -17.651 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.192 19.779 -17.383 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.846 21.366 -18.195 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.177 21.000 -18.026 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.400 19.134 -17.066 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.341 21.681 -18.406 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.553 19.827 -17.451 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.555 21.057 -18.099 1.00 0.00 C ATOM 0 H TRP A 22 5.853 19.715 -14.312 1.00 0.00 H new ATOM 0 HA TRP A 22 4.266 18.167 -16.312 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.166 17.719 -15.824 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.180 17.330 -17.220 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.991 20.368 -17.634 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.505 22.219 -18.639 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.435 18.178 -16.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.303 22.636 -18.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.508 19.375 -17.229 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.490 21.529 -18.364 1.00 0.00 H new ATOM 335 N VAL A 23 5.080 15.934 -14.974 1.00 0.00 N ATOM 336 CA VAL A 23 4.964 14.808 -14.062 1.00 0.00 C ATOM 337 C VAL A 23 5.627 13.580 -14.690 1.00 0.00 C ATOM 338 O VAL A 23 5.127 13.033 -15.672 1.00 0.00 O ATOM 339 CB VAL A 23 3.495 14.576 -13.701 1.00 0.00 C ATOM 340 CG1 VAL A 23 3.020 15.592 -12.660 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.611 14.614 -14.949 1.00 0.00 C ATOM 0 H VAL A 23 5.263 15.680 -15.945 1.00 0.00 H new ATOM 0 HA VAL A 23 5.485 15.017 -13.128 1.00 0.00 H new ATOM 0 HB VAL A 23 3.410 13.582 -13.262 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.973 15.405 -12.421 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.622 15.495 -11.756 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.127 16.600 -13.060 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.572 14.446 -14.664 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.703 15.588 -15.430 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.927 13.835 -15.643 1.00 0.00 H new ATOM 351 N ILE A 24 6.743 13.181 -14.097 1.00 0.00 N ATOM 352 CA ILE A 24 7.478 12.028 -14.585 1.00 0.00 C ATOM 353 C ILE A 24 6.636 10.767 -14.383 1.00 0.00 C ATOM 354 O ILE A 24 6.405 10.346 -13.251 1.00 0.00 O ATOM 355 CB ILE A 24 8.860 11.956 -13.930 1.00 0.00 C ATOM 356 CG1 ILE A 24 9.610 10.698 -14.369 1.00 0.00 C ATOM 357 CG2 ILE A 24 8.749 12.055 -12.406 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.436 9.570 -13.349 1.00 0.00 C ATOM 0 H ILE A 24 7.155 13.636 -13.283 1.00 0.00 H new ATOM 0 HA ILE A 24 7.662 12.120 -15.655 1.00 0.00 H new ATOM 0 HB ILE A 24 9.444 12.812 -14.268 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.243 10.373 -15.342 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.669 10.925 -14.488 1.00 0.00 H new ATOM 0 HG21 ILE A 24 9.744 12.001 -11.964 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.283 13.003 -12.136 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.141 11.232 -12.031 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.980 8.687 -13.686 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.827 9.890 -12.383 1.00 0.00 H new ATOM 0 HD13 ILE A 24 8.378 9.329 -13.251 1.00 0.00 H new ATOM 370 N LEU A 25 6.200 10.200 -15.498 1.00 0.00 N ATOM 371 CA LEU A 25 5.388 8.995 -15.457 1.00 0.00 C ATOM 372 C LEU A 25 5.765 8.091 -16.632 1.00 0.00 C ATOM 373 O LEU A 25 6.189 8.574 -17.681 1.00 0.00 O ATOM 374 CB LEU A 25 3.901 9.353 -15.409 1.00 0.00 C ATOM 375 CG LEU A 25 3.202 9.502 -16.763 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.742 8.143 -17.294 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.051 10.505 -16.678 1.00 0.00 C ATOM 0 H LEU A 25 6.393 10.552 -16.435 1.00 0.00 H new ATOM 0 HA LEU A 25 5.587 8.432 -14.545 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.381 8.585 -14.837 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.790 10.288 -14.861 1.00 0.00 H new ATOM 0 HG LEU A 25 3.922 9.900 -17.478 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.249 8.277 -18.257 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.605 7.489 -17.416 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.044 7.694 -16.588 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.572 10.592 -17.653 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.322 10.161 -15.945 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.438 11.478 -16.376 1.00 0.00 H new ATOM 389 N HIS A 26 5.596 6.794 -16.418 1.00 0.00 N ATOM 390 CA HIS A 26 5.914 5.818 -17.446 1.00 0.00 C ATOM 391 C HIS A 26 7.345 6.039 -17.940 1.00 0.00 C ATOM 392 O HIS A 26 7.659 5.751 -19.093 1.00 0.00 O ATOM 393 CB HIS A 26 4.883 5.865 -18.575 1.00 0.00 C ATOM 394 CG HIS A 26 3.642 5.048 -18.309 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.686 3.762 -17.798 1.00 0.00 N ATOM 396 CD2 HIS A 26 2.323 5.346 -18.486 1.00 0.00 C ATOM 397 CE1 HIS A 26 2.444 3.316 -17.678 1.00 0.00 C ATOM 398 NE2 HIS A 26 1.601 4.300 -18.105 1.00 0.00 N ATOM 0 H HIS A 26 5.243 6.397 -15.547 1.00 0.00 H new ATOM 0 HA HIS A 26 5.864 4.813 -17.027 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.593 6.902 -18.745 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.349 5.509 -19.494 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.932 6.276 -18.871 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.151 2.345 -17.308 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.583 4.241 -18.128 1.00 0.00 H new ATOM 406 N HIS A 27 8.174 6.550 -17.041 1.00 0.00 N ATOM 407 CA HIS A 27 9.565 6.813 -17.370 1.00 0.00 C ATOM 408 C HIS A 27 9.648 7.990 -18.345 1.00 0.00 C ATOM 409 O HIS A 27 10.723 8.309 -18.849 1.00 0.00 O ATOM 410 CB HIS A 27 10.244 5.551 -17.907 1.00 0.00 C ATOM 411 CG HIS A 27 11.302 5.820 -18.951 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.651 5.615 -18.721 1.00 0.00 N ATOM 413 CD2 HIS A 27 11.194 6.278 -20.231 1.00 0.00 C ATOM 414 CE1 HIS A 27 13.317 5.939 -19.821 1.00 0.00 C ATOM 415 NE2 HIS A 27 12.412 6.350 -20.755 1.00 0.00 N ATOM 0 H HIS A 27 7.909 6.789 -16.085 1.00 0.00 H new ATOM 0 HA HIS A 27 10.109 7.093 -16.468 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.698 5.013 -17.075 1.00 0.00 H new ATOM 0 HB3 HIS A 27 9.485 4.896 -18.334 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.274 6.538 -20.733 1.00 0.00 H new ATOM 0 HE1 HIS A 27 14.388 5.887 -19.954 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.634 6.661 -21.701 1.00 0.00 H new ATOM 423 N LYS A 28 8.497 8.605 -18.578 1.00 0.00 N ATOM 424 CA LYS A 28 8.425 9.740 -19.483 1.00 0.00 C ATOM 425 C LYS A 28 7.571 10.839 -18.849 1.00 0.00 C ATOM 426 O LYS A 28 6.395 10.626 -18.558 1.00 0.00 O ATOM 427 CB LYS A 28 7.932 9.296 -20.862 1.00 0.00 C ATOM 428 CG LYS A 28 6.845 8.228 -20.737 1.00 0.00 C ATOM 429 CD LYS A 28 7.300 6.906 -21.359 1.00 0.00 C ATOM 430 CE LYS A 28 7.276 6.982 -22.887 1.00 0.00 C ATOM 431 NZ LYS A 28 5.893 6.837 -23.392 1.00 0.00 N ATOM 0 H LYS A 28 7.607 8.339 -18.156 1.00 0.00 H new ATOM 0 HA LYS A 28 9.417 10.161 -19.645 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.541 10.156 -21.407 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.767 8.904 -21.442 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.601 8.074 -19.686 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.935 8.571 -21.229 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.308 6.668 -21.019 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.650 6.098 -21.021 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.691 7.934 -23.216 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.906 6.198 -23.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.907 6.772 -24.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.468 5.974 -22.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.330 7.663 -23.105 1.00 0.00 H new ATOM 445 N VAL A 29 8.196 11.991 -18.652 1.00 0.00 N ATOM 446 CA VAL A 29 7.508 13.124 -18.058 1.00 0.00 C ATOM 447 C VAL A 29 6.653 13.812 -19.123 1.00 0.00 C ATOM 448 O VAL A 29 7.042 13.883 -20.287 1.00 0.00 O ATOM 449 CB VAL A 29 8.520 14.067 -17.403 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.658 14.404 -18.369 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.837 15.337 -16.894 1.00 0.00 C ATOM 0 H VAL A 29 9.172 12.164 -18.894 1.00 0.00 H new ATOM 0 HA VAL A 29 6.836 12.790 -17.267 1.00 0.00 H new ATOM 0 HB VAL A 29 8.951 13.553 -16.544 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.364 15.075 -17.880 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.171 13.488 -18.660 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.251 14.889 -19.256 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.579 15.989 -16.433 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.366 15.856 -17.729 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.079 15.072 -16.157 1.00 0.00 H new ATOM 461 N TYR A 30 5.501 14.301 -18.686 1.00 0.00 N ATOM 462 CA TYR A 30 4.587 14.982 -19.588 1.00 0.00 C ATOM 463 C TYR A 30 4.323 16.415 -19.123 1.00 0.00 C ATOM 464 O TYR A 30 4.176 16.666 -17.928 1.00 0.00 O ATOM 465 CB TYR A 30 3.277 14.192 -19.536 1.00 0.00 C ATOM 466 CG TYR A 30 3.353 12.816 -20.200 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.290 11.895 -19.774 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.486 12.495 -21.224 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.361 10.600 -20.399 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.558 11.200 -21.849 1.00 0.00 C ATOM 471 CZ TYR A 30 3.492 10.315 -21.406 1.00 0.00 C ATOM 472 OH TYR A 30 3.560 9.092 -21.996 1.00 0.00 O ATOM 0 H TYR A 30 5.180 14.239 -17.720 1.00 0.00 H new ATOM 0 HA TYR A 30 5.006 15.032 -20.593 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.982 14.065 -18.494 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.494 14.775 -20.020 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.969 12.146 -18.973 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.753 13.215 -21.557 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.089 9.870 -20.075 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.885 10.937 -22.652 1.00 0.00 H new ATOM 0 HH TYR A 30 2.879 9.029 -22.698 1.00 0.00 H new ATOM 482 N ASP A 31 4.272 17.318 -20.092 1.00 0.00 N ATOM 483 CA ASP A 31 4.028 18.719 -19.797 1.00 0.00 C ATOM 484 C ASP A 31 2.539 19.022 -19.972 1.00 0.00 C ATOM 485 O ASP A 31 2.128 19.560 -20.998 1.00 0.00 O ATOM 486 CB ASP A 31 4.810 19.626 -20.749 1.00 0.00 C ATOM 487 CG ASP A 31 4.377 21.093 -20.745 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.446 21.702 -19.655 1.00 0.00 O ATOM 489 OD2 ASP A 31 3.989 21.573 -21.832 1.00 0.00 O ATOM 0 H ASP A 31 4.396 17.106 -21.082 1.00 0.00 H new ATOM 0 HA ASP A 31 4.349 18.908 -18.773 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.867 19.574 -20.490 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.711 19.236 -21.762 1.00 0.00 H new ATOM 494 N LEU A 32 1.771 18.661 -18.954 1.00 0.00 N ATOM 495 CA LEU A 32 0.336 18.887 -18.982 1.00 0.00 C ATOM 496 C LEU A 32 0.030 20.266 -18.394 1.00 0.00 C ATOM 497 O LEU A 32 -1.063 20.496 -17.877 1.00 0.00 O ATOM 498 CB LEU A 32 -0.400 17.743 -18.283 1.00 0.00 C ATOM 499 CG LEU A 32 0.313 17.123 -17.079 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.689 16.467 -16.127 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.399 16.145 -17.531 1.00 0.00 C ATOM 0 H LEU A 32 2.116 18.214 -18.105 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.030 18.890 -20.009 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.373 18.110 -17.955 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.586 16.957 -19.014 1.00 0.00 H new ATOM 0 HG LEU A 32 0.808 17.921 -16.525 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.157 16.034 -15.280 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.394 17.217 -15.768 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.231 15.682 -16.654 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.891 15.718 -16.657 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.947 15.346 -18.120 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.134 16.673 -18.139 1.00 0.00 H new ATOM 513 N THR A 33 1.014 21.148 -18.491 1.00 0.00 N ATOM 514 CA THR A 33 0.863 22.498 -17.975 1.00 0.00 C ATOM 515 C THR A 33 -0.087 23.305 -18.861 1.00 0.00 C ATOM 516 O THR A 33 -0.649 24.308 -18.425 1.00 0.00 O ATOM 517 CB THR A 33 2.257 23.118 -17.856 1.00 0.00 C ATOM 518 OG1 THR A 33 2.192 23.893 -16.663 1.00 0.00 O ATOM 519 CG2 THR A 33 2.537 24.145 -18.955 1.00 0.00 C ATOM 0 H THR A 33 1.919 20.954 -18.919 1.00 0.00 H new ATOM 0 HA THR A 33 0.408 22.494 -16.985 1.00 0.00 H new ATOM 0 HB THR A 33 3.009 22.330 -17.897 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.790 24.765 -16.861 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.539 24.554 -18.824 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.467 23.663 -19.930 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.805 24.951 -18.895 1.00 0.00 H new ATOM 527 N LYS A 34 -0.238 22.837 -20.092 1.00 0.00 N ATOM 528 CA LYS A 34 -1.111 23.502 -21.045 1.00 0.00 C ATOM 529 C LYS A 34 -2.522 22.923 -20.927 1.00 0.00 C ATOM 530 O LYS A 34 -3.487 23.664 -20.748 1.00 0.00 O ATOM 531 CB LYS A 34 -0.527 23.418 -22.456 1.00 0.00 C ATOM 532 CG LYS A 34 -0.886 24.659 -23.274 1.00 0.00 C ATOM 533 CD LYS A 34 0.327 25.575 -23.443 1.00 0.00 C ATOM 534 CE LYS A 34 0.383 26.157 -24.857 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.246 27.495 -24.893 1.00 0.00 N ATOM 0 H LYS A 34 0.230 22.005 -20.451 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.183 24.566 -20.818 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.557 23.317 -22.399 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.904 22.527 -22.957 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.258 24.358 -24.253 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.691 25.203 -22.781 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.280 26.384 -22.715 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.240 25.016 -23.240 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.420 26.227 -25.187 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.128 25.490 -25.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.199 27.875 -25.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.241 27.419 -24.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.259 28.133 -24.245 1.00 0.00 H new ATOM 549 N PHE A 35 -2.598 21.605 -21.034 1.00 0.00 N ATOM 550 CA PHE A 35 -3.875 20.919 -20.942 1.00 0.00 C ATOM 551 C PHE A 35 -4.273 20.693 -19.482 1.00 0.00 C ATOM 552 O PHE A 35 -5.219 19.961 -19.199 1.00 0.00 O ATOM 553 CB PHE A 35 -3.703 19.561 -21.627 1.00 0.00 C ATOM 554 CG PHE A 35 -4.095 18.369 -20.752 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.231 17.903 -19.810 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.308 17.775 -20.915 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.595 16.797 -18.998 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.671 16.668 -20.102 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.807 16.203 -19.162 1.00 0.00 C ATOM 0 H PHE A 35 -1.795 20.994 -21.184 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.654 21.518 -21.414 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.305 19.545 -22.536 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.663 19.448 -21.932 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.268 18.375 -19.680 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.995 18.145 -21.662 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.909 16.427 -18.250 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.634 16.196 -20.231 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.083 15.361 -18.545 1.00 0.00 H new ATOM 569 N LEU A 36 -3.529 21.336 -18.594 1.00 0.00 N ATOM 570 CA LEU A 36 -3.792 21.216 -17.169 1.00 0.00 C ATOM 571 C LEU A 36 -5.234 21.641 -16.884 1.00 0.00 C ATOM 572 O LEU A 36 -5.912 21.032 -16.059 1.00 0.00 O ATOM 573 CB LEU A 36 -2.751 21.995 -16.364 1.00 0.00 C ATOM 574 CG LEU A 36 -2.170 21.275 -15.145 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.650 21.438 -15.085 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.848 21.746 -13.856 1.00 0.00 C ATOM 0 H LEU A 36 -2.744 21.942 -18.833 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.696 20.178 -16.850 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.930 22.260 -17.030 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.204 22.928 -16.029 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.376 20.209 -15.247 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.262 20.917 -14.210 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.203 21.017 -15.985 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.400 22.497 -15.017 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.417 21.219 -13.005 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.694 22.818 -13.735 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.916 21.537 -13.909 1.00 0.00 H new ATOM 588 N GLU A 37 -5.660 22.683 -17.583 1.00 0.00 N ATOM 589 CA GLU A 37 -7.008 23.197 -17.415 1.00 0.00 C ATOM 590 C GLU A 37 -7.998 22.368 -18.235 1.00 0.00 C ATOM 591 O GLU A 37 -9.197 22.377 -17.962 1.00 0.00 O ATOM 592 CB GLU A 37 -7.084 24.676 -17.797 1.00 0.00 C ATOM 593 CG GLU A 37 -8.183 25.391 -17.009 1.00 0.00 C ATOM 594 CD GLU A 37 -9.116 26.161 -17.945 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.786 27.331 -18.238 1.00 0.00 O ATOM 596 OE2 GLU A 37 -10.137 25.564 -18.347 1.00 0.00 O ATOM 0 H GLU A 37 -5.095 23.185 -18.267 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.278 23.114 -16.362 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.124 25.155 -17.605 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.278 24.770 -18.865 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.757 24.663 -16.436 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.733 26.078 -16.292 1.00 0.00 H new ATOM 603 N GLU A 38 -7.459 21.670 -19.225 1.00 0.00 N ATOM 604 CA GLU A 38 -8.280 20.837 -20.087 1.00 0.00 C ATOM 605 C GLU A 38 -8.475 19.455 -19.461 1.00 0.00 C ATOM 606 O GLU A 38 -9.178 18.612 -20.016 1.00 0.00 O ATOM 607 CB GLU A 38 -7.667 20.724 -21.485 1.00 0.00 C ATOM 608 CG GLU A 38 -8.212 21.813 -22.411 1.00 0.00 C ATOM 609 CD GLU A 38 -9.290 21.254 -23.341 1.00 0.00 C ATOM 610 OE1 GLU A 38 -10.470 21.288 -22.928 1.00 0.00 O ATOM 611 OE2 GLU A 38 -8.910 20.804 -24.445 1.00 0.00 O ATOM 0 H GLU A 38 -6.464 21.665 -19.449 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.257 21.308 -20.191 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.582 20.807 -21.418 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.886 19.742 -21.904 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.626 22.627 -21.816 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.398 22.233 -23.003 1.00 0.00 H new ATOM 618 N HIS A 39 -7.841 19.265 -18.313 1.00 0.00 N ATOM 619 CA HIS A 39 -7.935 18.000 -17.605 1.00 0.00 C ATOM 620 C HIS A 39 -9.096 18.056 -16.608 1.00 0.00 C ATOM 621 O HIS A 39 -9.211 19.006 -15.837 1.00 0.00 O ATOM 622 CB HIS A 39 -6.603 17.646 -16.943 1.00 0.00 C ATOM 623 CG HIS A 39 -6.571 16.269 -16.325 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.374 16.060 -14.971 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.713 15.035 -16.889 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.398 14.755 -14.742 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.607 14.122 -15.932 1.00 0.00 N ATOM 0 H HIS A 39 -7.260 19.967 -17.855 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.146 17.198 -18.313 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.809 17.718 -17.686 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.385 18.384 -16.171 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.883 14.835 -17.937 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.274 14.277 -13.782 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.671 13.113 -16.064 1.00 0.00 H new ATOM 635 N PRO A 40 -9.948 16.997 -16.659 1.00 0.00 N ATOM 636 CA PRO A 40 -11.094 16.915 -15.771 1.00 0.00 C ATOM 637 C PRO A 40 -10.662 16.545 -14.350 1.00 0.00 C ATOM 638 O PRO A 40 -11.465 16.597 -13.420 1.00 0.00 O ATOM 639 CB PRO A 40 -12.009 15.880 -16.402 1.00 0.00 C ATOM 640 CG PRO A 40 -11.139 15.085 -17.362 1.00 0.00 C ATOM 641 CD PRO A 40 -9.842 15.852 -17.560 1.00 0.00 C ATOM 0 HA PRO A 40 -11.610 17.869 -15.662 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.447 15.231 -15.643 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.835 16.358 -16.928 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.938 14.092 -16.961 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.650 14.947 -18.315 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -8.976 15.236 -17.317 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.725 16.172 -18.595 1.00 0.00 H new ATOM 649 N GLY A 41 -9.395 16.178 -14.228 1.00 0.00 N ATOM 650 CA GLY A 41 -8.846 15.799 -12.937 1.00 0.00 C ATOM 651 C GLY A 41 -8.929 16.960 -11.943 1.00 0.00 C ATOM 652 O GLY A 41 -9.833 17.005 -11.110 1.00 0.00 O ATOM 0 H GLY A 41 -8.732 16.135 -15.002 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.390 14.940 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.807 15.491 -13.056 1.00 0.00 H new ATOM 656 N GLY A 42 -7.975 17.871 -12.066 1.00 0.00 N ATOM 657 CA GLY A 42 -7.929 19.029 -11.189 1.00 0.00 C ATOM 658 C GLY A 42 -6.829 20.001 -11.621 1.00 0.00 C ATOM 659 O GLY A 42 -6.272 19.870 -12.709 1.00 0.00 O ATOM 0 H GLY A 42 -7.228 17.831 -12.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.893 19.537 -11.201 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.751 18.706 -10.163 1.00 0.00 H new ATOM 663 N GLU A 43 -6.548 20.954 -10.745 1.00 0.00 N ATOM 664 CA GLU A 43 -5.524 21.947 -11.022 1.00 0.00 C ATOM 665 C GLU A 43 -4.444 21.911 -9.938 1.00 0.00 C ATOM 666 O GLU A 43 -3.400 22.547 -10.076 1.00 0.00 O ATOM 667 CB GLU A 43 -6.133 23.344 -11.141 1.00 0.00 C ATOM 668 CG GLU A 43 -5.110 24.422 -10.781 1.00 0.00 C ATOM 669 CD GLU A 43 -5.741 25.817 -10.830 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.759 26.004 -10.132 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.189 26.662 -11.567 1.00 0.00 O ATOM 0 H GLU A 43 -7.012 21.060 -9.843 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.061 21.706 -11.979 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.491 23.503 -12.158 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.998 23.425 -10.483 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.714 24.233 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.269 24.375 -11.472 1.00 0.00 H new ATOM 678 N GLU A 44 -4.732 21.161 -8.884 1.00 0.00 N ATOM 679 CA GLU A 44 -3.798 21.036 -7.778 1.00 0.00 C ATOM 680 C GLU A 44 -3.405 19.570 -7.581 1.00 0.00 C ATOM 681 O GLU A 44 -2.586 19.254 -6.720 1.00 0.00 O ATOM 682 CB GLU A 44 -4.386 21.624 -6.494 1.00 0.00 C ATOM 683 CG GLU A 44 -3.836 20.905 -5.260 1.00 0.00 C ATOM 684 CD GLU A 44 -4.338 21.564 -3.973 1.00 0.00 C ATOM 685 OE1 GLU A 44 -3.849 22.675 -3.677 1.00 0.00 O ATOM 686 OE2 GLU A 44 -5.199 20.941 -3.315 1.00 0.00 O ATOM 0 H GLU A 44 -5.598 20.634 -8.773 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.900 21.604 -8.019 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.151 22.687 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.472 21.539 -6.515 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.139 19.858 -5.279 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.746 20.922 -5.280 1.00 0.00 H new ATOM 693 N VAL A 45 -4.008 18.714 -8.393 1.00 0.00 N ATOM 694 CA VAL A 45 -3.731 17.290 -8.318 1.00 0.00 C ATOM 695 C VAL A 45 -2.741 16.908 -9.421 1.00 0.00 C ATOM 696 O VAL A 45 -1.967 15.965 -9.265 1.00 0.00 O ATOM 697 CB VAL A 45 -5.038 16.498 -8.390 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.109 17.276 -9.158 1.00 0.00 C ATOM 699 CG2 VAL A 45 -4.812 15.119 -9.011 1.00 0.00 C ATOM 0 H VAL A 45 -4.687 18.979 -9.106 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.267 17.042 -7.363 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.396 16.351 -7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.028 16.691 -9.195 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.302 18.223 -8.654 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.761 17.469 -10.173 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.757 14.578 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.419 15.235 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.099 14.560 -8.406 1.00 0.00 H new ATOM 709 N LEU A 46 -2.797 17.661 -10.509 1.00 0.00 N ATOM 710 CA LEU A 46 -1.915 17.415 -11.637 1.00 0.00 C ATOM 711 C LEU A 46 -0.520 17.956 -11.316 1.00 0.00 C ATOM 712 O LEU A 46 0.484 17.373 -11.719 1.00 0.00 O ATOM 713 CB LEU A 46 -2.516 17.985 -12.922 1.00 0.00 C ATOM 714 CG LEU A 46 -4.044 18.015 -12.993 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.520 18.511 -14.359 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.637 16.650 -12.640 1.00 0.00 C ATOM 0 H LEU A 46 -3.440 18.443 -10.634 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.809 16.344 -11.811 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.146 19.002 -13.052 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.145 17.400 -13.764 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.406 18.725 -12.249 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.610 18.523 -14.382 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.143 19.519 -14.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.147 17.846 -15.138 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.724 16.700 -12.698 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.270 15.901 -13.342 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.340 16.375 -11.628 1.00 0.00 H new ATOM 728 N ARG A 47 -0.504 19.068 -10.594 1.00 0.00 N ATOM 729 CA ARG A 47 0.750 19.694 -10.214 1.00 0.00 C ATOM 730 C ARG A 47 1.267 19.099 -8.903 1.00 0.00 C ATOM 731 O ARG A 47 2.461 19.160 -8.618 1.00 0.00 O ATOM 732 CB ARG A 47 0.581 21.206 -10.047 1.00 0.00 C ATOM 733 CG ARG A 47 -0.710 21.534 -9.293 1.00 0.00 C ATOM 734 CD ARG A 47 -0.640 22.928 -8.667 1.00 0.00 C ATOM 735 NE ARG A 47 0.121 22.876 -7.399 1.00 0.00 N ATOM 736 CZ ARG A 47 0.125 23.856 -6.484 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.590 24.969 -6.692 1.00 0.00 N ATOM 738 NH2 ARG A 47 0.846 23.722 -5.362 1.00 0.00 N ATOM 0 H ARG A 47 -1.339 19.550 -10.263 1.00 0.00 H new ATOM 0 HA ARG A 47 1.469 19.504 -11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.435 21.613 -9.507 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.566 21.684 -11.026 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.558 21.480 -9.976 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.880 20.790 -8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.163 23.623 -9.359 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.646 23.303 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 47 0.677 22.042 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.138 25.071 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.587 25.715 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.391 22.875 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.849 24.467 -4.666 1.00 0.00 H new ATOM 752 N GLU A 48 0.341 18.534 -8.142 1.00 0.00 N ATOM 753 CA GLU A 48 0.689 17.926 -6.868 1.00 0.00 C ATOM 754 C GLU A 48 1.817 16.910 -7.055 1.00 0.00 C ATOM 755 O GLU A 48 2.619 16.695 -6.148 1.00 0.00 O ATOM 756 CB GLU A 48 -0.535 17.276 -6.220 1.00 0.00 C ATOM 757 CG GLU A 48 -0.793 17.858 -4.828 1.00 0.00 C ATOM 758 CD GLU A 48 0.418 17.656 -3.915 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.824 16.484 -3.764 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.910 18.677 -3.389 1.00 0.00 O ATOM 0 H GLU A 48 -0.649 18.484 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 48 1.041 18.709 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.410 17.431 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.383 16.199 -6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.017 18.922 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.669 17.381 -4.387 1.00 0.00 H new ATOM 767 N GLN A 49 1.841 16.312 -8.237 1.00 0.00 N ATOM 768 CA GLN A 49 2.858 15.324 -8.554 1.00 0.00 C ATOM 769 C GLN A 49 3.956 15.948 -9.416 1.00 0.00 C ATOM 770 O GLN A 49 4.815 15.242 -9.943 1.00 0.00 O ATOM 771 CB GLN A 49 2.241 14.107 -9.247 1.00 0.00 C ATOM 772 CG GLN A 49 1.186 13.445 -8.359 1.00 0.00 C ATOM 773 CD GLN A 49 1.841 12.669 -7.215 1.00 0.00 C ATOM 774 OE1 GLN A 49 3.049 12.671 -7.040 1.00 0.00 O ATOM 775 NE2 GLN A 49 0.979 12.006 -6.448 1.00 0.00 N ATOM 0 H GLN A 49 1.173 16.493 -8.986 1.00 0.00 H new ATOM 0 HA GLN A 49 3.308 14.982 -7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.788 14.412 -10.190 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.023 13.386 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.519 14.205 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.574 12.770 -8.957 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.020 12.047 -6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.317 11.457 -5.658 1.00 0.00 H new ATOM 784 N ALA A 50 3.893 17.266 -9.533 1.00 0.00 N ATOM 785 CA ALA A 50 4.872 17.995 -10.323 1.00 0.00 C ATOM 786 C ALA A 50 6.163 18.144 -9.516 1.00 0.00 C ATOM 787 O ALA A 50 6.623 19.258 -9.273 1.00 0.00 O ATOM 788 CB ALA A 50 4.287 19.345 -10.741 1.00 0.00 C ATOM 0 H ALA A 50 3.180 17.848 -9.094 1.00 0.00 H new ATOM 0 HA ALA A 50 5.114 17.448 -11.234 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.021 19.892 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.388 19.183 -11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.035 19.923 -9.852 1.00 0.00 H new ATOM 794 N GLY A 51 6.711 17.004 -9.121 1.00 0.00 N ATOM 795 CA GLY A 51 7.940 16.994 -8.347 1.00 0.00 C ATOM 796 C GLY A 51 8.499 15.575 -8.225 1.00 0.00 C ATOM 797 O GLY A 51 9.714 15.377 -8.250 1.00 0.00 O ATOM 0 H GLY A 51 6.326 16.081 -9.323 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.678 17.640 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.752 17.401 -7.354 1.00 0.00 H new ATOM 801 N GLY A 52 7.587 14.622 -8.096 1.00 0.00 N ATOM 802 CA GLY A 52 7.974 13.227 -7.969 1.00 0.00 C ATOM 803 C GLY A 52 7.333 12.379 -9.070 1.00 0.00 C ATOM 804 O GLY A 52 7.490 12.671 -10.254 1.00 0.00 O ATOM 0 H GLY A 52 6.581 14.789 -8.077 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.059 13.140 -8.023 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.673 12.849 -6.992 1.00 0.00 H new ATOM 808 N ASP A 53 6.625 11.345 -8.640 1.00 0.00 N ATOM 809 CA ASP A 53 5.960 10.453 -9.574 1.00 0.00 C ATOM 810 C ASP A 53 4.447 10.660 -9.481 1.00 0.00 C ATOM 811 O ASP A 53 3.860 10.511 -8.410 1.00 0.00 O ATOM 812 CB ASP A 53 6.257 8.989 -9.244 1.00 0.00 C ATOM 813 CG ASP A 53 6.509 8.698 -7.762 1.00 0.00 C ATOM 814 OD1 ASP A 53 5.938 9.440 -6.934 1.00 0.00 O ATOM 815 OD2 ASP A 53 7.265 7.740 -7.492 1.00 0.00 O ATOM 0 H ASP A 53 6.497 11.105 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 53 6.327 10.679 -10.575 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.419 8.379 -9.581 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.131 8.674 -9.814 1.00 0.00 H new ATOM 820 N ALA A 54 3.857 11.001 -10.617 1.00 0.00 N ATOM 821 CA ALA A 54 2.424 11.230 -10.678 1.00 0.00 C ATOM 822 C ALA A 54 1.718 9.924 -11.047 1.00 0.00 C ATOM 823 O ALA A 54 0.517 9.779 -10.825 1.00 0.00 O ATOM 824 CB ALA A 54 2.128 12.353 -11.673 1.00 0.00 C ATOM 0 H ALA A 54 4.346 11.124 -11.503 1.00 0.00 H new ATOM 0 HA ALA A 54 2.045 11.547 -9.706 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.053 12.525 -11.719 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.628 13.266 -11.350 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.492 12.070 -12.660 1.00 0.00 H new ATOM 830 N THR A 55 2.494 9.006 -11.604 1.00 0.00 N ATOM 831 CA THR A 55 1.959 7.716 -12.005 1.00 0.00 C ATOM 832 C THR A 55 1.150 7.095 -10.864 1.00 0.00 C ATOM 833 O THR A 55 0.025 6.645 -11.069 1.00 0.00 O ATOM 834 CB THR A 55 3.126 6.843 -12.468 1.00 0.00 C ATOM 835 OG1 THR A 55 2.612 5.515 -12.406 1.00 0.00 O ATOM 836 CG2 THR A 55 4.287 6.839 -11.471 1.00 0.00 C ATOM 0 H THR A 55 3.490 9.130 -11.787 1.00 0.00 H new ATOM 0 HA THR A 55 1.262 7.819 -12.836 1.00 0.00 H new ATOM 0 HB THR A 55 3.480 7.196 -13.437 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.304 4.883 -12.692 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.089 6.204 -11.848 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.659 7.855 -11.342 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.941 6.455 -10.511 1.00 0.00 H new ATOM 844 N GLU A 56 1.757 7.092 -9.686 1.00 0.00 N ATOM 845 CA GLU A 56 1.107 6.533 -8.512 1.00 0.00 C ATOM 846 C GLU A 56 -0.318 7.074 -8.386 1.00 0.00 C ATOM 847 O GLU A 56 -1.196 6.402 -7.847 1.00 0.00 O ATOM 848 CB GLU A 56 1.919 6.823 -7.247 1.00 0.00 C ATOM 849 CG GLU A 56 2.435 8.264 -7.246 1.00 0.00 C ATOM 850 CD GLU A 56 2.417 8.851 -5.832 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.655 8.309 -5.003 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.165 9.827 -5.613 1.00 0.00 O ATOM 0 H GLU A 56 2.691 7.467 -9.519 1.00 0.00 H new ATOM 0 HA GLU A 56 1.054 5.451 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.300 6.654 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.759 6.132 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.450 8.291 -7.642 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.819 8.875 -7.906 1.00 0.00 H new ATOM 859 N ASN A 57 -0.504 8.285 -8.891 1.00 0.00 N ATOM 860 CA ASN A 57 -1.807 8.925 -8.842 1.00 0.00 C ATOM 861 C ASN A 57 -2.496 8.774 -10.199 1.00 0.00 C ATOM 862 O ASN A 57 -3.662 8.386 -10.267 1.00 0.00 O ATOM 863 CB ASN A 57 -1.677 10.420 -8.542 1.00 0.00 C ATOM 864 CG ASN A 57 -1.886 10.701 -7.052 1.00 0.00 C ATOM 865 OD1 ASN A 57 -1.456 9.956 -6.187 1.00 0.00 O ATOM 866 ND2 ASN A 57 -2.570 11.814 -6.803 1.00 0.00 N ATOM 0 H ASN A 57 0.227 8.840 -9.336 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.386 8.448 -8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.691 10.771 -8.847 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.409 10.977 -9.127 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.763 12.089 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.901 12.393 -7.575 1.00 0.00 H new ATOM 873 N PHE A 58 -1.747 9.087 -11.245 1.00 0.00 N ATOM 874 CA PHE A 58 -2.272 8.991 -12.597 1.00 0.00 C ATOM 875 C PHE A 58 -2.776 7.577 -12.889 1.00 0.00 C ATOM 876 O PHE A 58 -3.807 7.404 -13.538 1.00 0.00 O ATOM 877 CB PHE A 58 -1.118 9.315 -13.548 1.00 0.00 C ATOM 878 CG PHE A 58 -1.506 9.287 -15.029 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.654 9.886 -15.442 1.00 0.00 C ATOM 880 CD2 PHE A 58 -0.701 8.664 -15.931 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.014 9.861 -16.815 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.061 8.638 -17.304 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.210 9.237 -17.717 1.00 0.00 C ATOM 0 H PHE A 58 -0.781 9.407 -11.184 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.108 9.679 -12.722 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.726 10.302 -13.304 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.311 8.601 -13.381 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.293 10.381 -14.725 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.212 8.189 -15.603 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.926 10.337 -17.143 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.423 8.143 -18.020 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.484 9.217 -18.761 1.00 0.00 H new ATOM 893 N GLU A 59 -2.027 6.601 -12.396 1.00 0.00 N ATOM 894 CA GLU A 59 -2.387 5.207 -12.597 1.00 0.00 C ATOM 895 C GLU A 59 -3.440 4.778 -11.572 1.00 0.00 C ATOM 896 O GLU A 59 -4.189 3.831 -11.807 1.00 0.00 O ATOM 897 CB GLU A 59 -1.153 4.307 -12.524 1.00 0.00 C ATOM 898 CG GLU A 59 -0.714 3.864 -13.921 1.00 0.00 C ATOM 899 CD GLU A 59 -0.726 2.339 -14.043 1.00 0.00 C ATOM 900 OE1 GLU A 59 -0.271 1.690 -13.077 1.00 0.00 O ATOM 901 OE2 GLU A 59 -1.191 1.858 -15.098 1.00 0.00 O ATOM 0 H GLU A 59 -1.173 6.748 -11.858 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.815 5.102 -13.594 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.338 4.840 -12.035 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.373 3.431 -11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.378 4.297 -14.669 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.288 4.241 -14.128 1.00 0.00 H new ATOM 908 N ASP A 60 -3.462 5.495 -10.458 1.00 0.00 N ATOM 909 CA ASP A 60 -4.410 5.200 -9.398 1.00 0.00 C ATOM 910 C ASP A 60 -5.833 5.262 -9.960 1.00 0.00 C ATOM 911 O ASP A 60 -6.573 4.282 -9.893 1.00 0.00 O ATOM 912 CB ASP A 60 -4.305 6.223 -8.265 1.00 0.00 C ATOM 913 CG ASP A 60 -5.404 6.128 -7.204 1.00 0.00 C ATOM 914 OD1 ASP A 60 -5.217 5.326 -6.263 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.405 6.860 -7.358 1.00 0.00 O ATOM 0 H ASP A 60 -2.838 6.279 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.184 4.207 -9.010 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.338 6.104 -7.776 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.323 7.224 -8.696 1.00 0.00 H new ATOM 920 N VAL A 61 -6.172 6.423 -10.500 1.00 0.00 N ATOM 921 CA VAL A 61 -7.492 6.624 -11.073 1.00 0.00 C ATOM 922 C VAL A 61 -7.709 5.622 -12.207 1.00 0.00 C ATOM 923 O VAL A 61 -8.842 5.390 -12.626 1.00 0.00 O ATOM 924 CB VAL A 61 -7.650 8.080 -11.521 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.335 8.628 -12.078 1.00 0.00 C ATOM 926 CG2 VAL A 61 -8.780 8.218 -12.544 1.00 0.00 C ATOM 0 H VAL A 61 -5.556 7.234 -10.553 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.265 6.441 -10.327 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.915 8.674 -10.646 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.475 9.663 -12.389 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.566 8.581 -11.307 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.026 8.030 -12.936 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.872 9.261 -12.846 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.557 7.605 -13.418 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.717 7.886 -12.098 1.00 0.00 H new ATOM 936 N GLY A 62 -6.606 5.055 -12.673 1.00 0.00 N ATOM 937 CA GLY A 62 -6.663 4.083 -13.751 1.00 0.00 C ATOM 938 C GLY A 62 -7.140 4.732 -15.051 1.00 0.00 C ATOM 939 O GLY A 62 -8.305 4.601 -15.424 1.00 0.00 O ATOM 0 H GLY A 62 -5.668 5.250 -12.324 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.677 3.643 -13.901 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.337 3.271 -13.478 1.00 0.00 H new ATOM 943 N HIS A 63 -6.216 5.421 -15.706 1.00 0.00 N ATOM 944 CA HIS A 63 -6.528 6.090 -16.956 1.00 0.00 C ATOM 945 C HIS A 63 -6.640 5.058 -18.079 1.00 0.00 C ATOM 946 O HIS A 63 -5.856 4.111 -18.137 1.00 0.00 O ATOM 947 CB HIS A 63 -5.501 7.185 -17.257 1.00 0.00 C ATOM 948 CG HIS A 63 -5.703 8.452 -16.460 1.00 0.00 C ATOM 949 ND1 HIS A 63 -5.111 8.665 -15.228 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.436 9.570 -16.734 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.479 9.859 -14.789 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.300 10.419 -15.723 1.00 0.00 N ATOM 0 H HIS A 63 -5.251 5.530 -15.393 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.493 6.590 -16.873 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.502 6.797 -17.057 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.542 7.426 -18.319 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.496 8.013 -14.741 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.027 9.736 -17.623 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.181 10.311 -13.854 1.00 0.00 H new ATOM 960 N SER A 64 -7.620 5.274 -18.945 1.00 0.00 N ATOM 961 CA SER A 64 -7.844 4.373 -20.062 1.00 0.00 C ATOM 962 C SER A 64 -6.634 4.390 -20.998 1.00 0.00 C ATOM 963 O SER A 64 -5.799 5.291 -20.925 1.00 0.00 O ATOM 964 CB SER A 64 -9.113 4.751 -20.828 1.00 0.00 C ATOM 965 OG SER A 64 -9.854 3.604 -21.233 1.00 0.00 O ATOM 0 H SER A 64 -8.268 6.060 -18.895 1.00 0.00 H new ATOM 0 HA SER A 64 -7.977 3.365 -19.668 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.740 5.385 -20.201 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.845 5.338 -21.706 1.00 0.00 H new ATOM 0 HG SER A 64 -10.657 3.888 -21.717 1.00 0.00 H new ATOM 971 N THR A 65 -6.576 3.383 -21.857 1.00 0.00 N ATOM 972 CA THR A 65 -5.482 3.270 -22.807 1.00 0.00 C ATOM 973 C THR A 65 -5.636 4.304 -23.923 1.00 0.00 C ATOM 974 O THR A 65 -4.703 4.540 -24.689 1.00 0.00 O ATOM 975 CB THR A 65 -5.443 1.828 -23.314 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.212 1.743 -24.027 1.00 0.00 O ATOM 977 CG2 THR A 65 -6.509 1.552 -24.377 1.00 0.00 C ATOM 0 H THR A 65 -7.269 2.637 -21.915 1.00 0.00 H new ATOM 0 HA THR A 65 -4.524 3.489 -22.335 1.00 0.00 H new ATOM 0 HB THR A 65 -5.581 1.145 -22.476 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.975 2.627 -24.377 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.438 0.514 -24.703 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.498 1.733 -23.956 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.352 2.212 -25.230 1.00 0.00 H new ATOM 985 N ASP A 66 -6.822 4.892 -23.981 1.00 0.00 N ATOM 986 CA ASP A 66 -7.111 5.895 -24.992 1.00 0.00 C ATOM 987 C ASP A 66 -6.678 7.269 -24.479 1.00 0.00 C ATOM 988 O ASP A 66 -6.837 8.274 -25.172 1.00 0.00 O ATOM 989 CB ASP A 66 -8.610 5.955 -25.296 1.00 0.00 C ATOM 990 CG ASP A 66 -9.097 4.957 -26.349 1.00 0.00 C ATOM 991 OD1 ASP A 66 -8.378 3.957 -26.558 1.00 0.00 O ATOM 992 OD2 ASP A 66 -10.176 5.219 -26.923 1.00 0.00 O ATOM 0 H ASP A 66 -7.594 4.693 -23.344 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.569 5.625 -25.899 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.160 5.782 -24.371 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.858 6.963 -25.630 1.00 0.00 H new ATOM 997 N VAL A 67 -6.136 7.271 -23.269 1.00 0.00 N ATOM 998 CA VAL A 67 -5.679 8.505 -22.656 1.00 0.00 C ATOM 999 C VAL A 67 -4.433 9.004 -23.392 1.00 0.00 C ATOM 1000 O VAL A 67 -4.107 10.189 -23.335 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.442 8.290 -21.159 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.982 7.929 -20.881 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.865 9.521 -20.355 1.00 0.00 C ATOM 0 H VAL A 67 -6.004 6.437 -22.698 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.441 9.279 -22.743 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.061 7.452 -20.839 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.841 7.782 -19.810 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.727 7.011 -21.410 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.336 8.737 -21.224 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.686 9.342 -19.295 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.285 10.385 -20.680 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.925 9.714 -20.517 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.771 8.075 -24.066 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.568 8.406 -24.811 1.00 0.00 C ATOM 1015 C ARG A 68 -2.896 9.388 -25.939 1.00 0.00 C ATOM 1016 O ARG A 68 -2.028 10.131 -26.391 1.00 0.00 O ATOM 1017 CB ARG A 68 -1.929 7.151 -25.408 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.555 7.466 -26.005 1.00 0.00 C ATOM 1019 CD ARG A 68 0.561 7.156 -25.006 1.00 0.00 C ATOM 1020 NE ARG A 68 1.715 8.052 -25.243 1.00 0.00 N ATOM 1021 CZ ARG A 68 2.550 7.941 -26.284 1.00 0.00 C ATOM 1022 NH1 ARG A 68 2.365 6.973 -27.192 1.00 0.00 N ATOM 1023 NH2 ARG A 68 3.571 8.798 -26.419 1.00 0.00 N ATOM 0 H ARG A 68 -4.045 7.093 -24.112 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.863 8.865 -24.118 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.828 6.388 -24.636 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.579 6.740 -26.180 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.407 6.882 -26.914 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.511 8.517 -26.290 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.194 7.283 -23.987 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.871 6.116 -25.106 1.00 0.00 H new ATOM 0 HE ARG A 68 1.885 8.801 -24.571 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.588 6.320 -27.090 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.001 6.889 -27.985 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.713 9.535 -25.729 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.207 8.713 -27.212 1.00 0.00 H new ATOM 1037 N GLU A 69 -4.153 9.360 -26.358 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.606 10.238 -27.423 1.00 0.00 C ATOM 1039 C GLU A 69 -4.638 11.688 -26.938 1.00 0.00 C ATOM 1040 O GLU A 69 -4.439 12.615 -27.722 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.977 9.804 -27.946 1.00 0.00 C ATOM 1042 CG GLU A 69 -7.096 10.304 -27.028 1.00 0.00 C ATOM 1043 CD GLU A 69 -8.335 9.412 -27.139 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -8.140 8.194 -27.343 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -9.447 9.968 -27.015 1.00 0.00 O ATOM 0 H GLU A 69 -4.871 8.743 -25.979 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.900 10.168 -28.250 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.126 10.193 -28.953 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.017 8.717 -28.015 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.745 10.319 -25.996 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.357 11.329 -27.291 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.889 11.841 -25.645 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.949 13.163 -25.045 1.00 0.00 C ATOM 1054 C LEU A 70 -3.604 13.867 -25.238 1.00 0.00 C ATOM 1055 O LEU A 70 -3.494 14.793 -26.041 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.390 13.069 -23.584 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.851 13.423 -23.300 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -7.046 14.940 -23.244 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.784 12.762 -24.317 1.00 0.00 C ATOM 0 H LEU A 70 -5.053 11.071 -24.997 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.703 13.773 -25.542 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.209 12.052 -23.235 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.755 13.727 -22.991 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.114 13.028 -22.319 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.093 15.165 -23.041 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.425 15.358 -22.452 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.759 15.379 -24.200 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.816 13.030 -24.092 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.530 13.105 -25.320 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.671 11.679 -24.265 1.00 0.00 H new ATOM 1071 N SER A 71 -2.617 13.402 -24.488 1.00 0.00 N ATOM 1072 CA SER A 71 -1.283 13.976 -24.565 1.00 0.00 C ATOM 1073 C SER A 71 -0.574 13.480 -25.827 1.00 0.00 C ATOM 1074 O SER A 71 -0.287 12.291 -25.955 1.00 0.00 O ATOM 1075 CB SER A 71 -0.461 13.629 -23.322 1.00 0.00 C ATOM 1076 OG SER A 71 -0.011 12.278 -23.340 1.00 0.00 O ATOM 0 H SER A 71 -2.713 12.634 -23.824 1.00 0.00 H new ATOM 0 HA SER A 71 -1.379 15.061 -24.612 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.398 14.296 -23.258 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.064 13.798 -22.430 1.00 0.00 H new ATOM 0 HG SER A 71 0.747 12.177 -22.727 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.310 14.417 -26.726 1.00 0.00 N ATOM 1083 CA LYS A 72 0.361 14.090 -27.973 1.00 0.00 C ATOM 1084 C LYS A 72 1.606 14.968 -28.121 1.00 0.00 C ATOM 1085 O LYS A 72 2.729 14.472 -28.057 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.611 14.199 -29.150 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.620 12.909 -29.974 1.00 0.00 C ATOM 1088 CD LYS A 72 -2.051 12.474 -30.295 1.00 0.00 C ATOM 1089 CE LYS A 72 -2.062 11.154 -31.067 1.00 0.00 C ATOM 1090 NZ LYS A 72 -1.647 11.370 -32.472 1.00 0.00 N ATOM 0 H LYS A 72 -0.549 15.403 -26.616 1.00 0.00 H new ATOM 0 HA LYS A 72 0.699 13.054 -27.964 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.615 14.405 -28.779 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.327 15.038 -29.785 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.066 13.061 -30.900 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.110 12.118 -29.424 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.617 12.363 -29.370 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.547 13.247 -30.882 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.390 10.441 -30.589 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.061 10.719 -31.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.709 10.473 -32.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.273 12.072 -32.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.667 11.717 -32.495 1.00 0.00 H new ATOM 1104 N THR A 73 1.363 16.255 -28.318 1.00 0.00 N ATOM 1105 CA THR A 73 2.451 17.205 -28.477 1.00 0.00 C ATOM 1106 C THR A 73 2.899 17.736 -27.113 1.00 0.00 C ATOM 1107 O THR A 73 4.031 18.194 -26.963 1.00 0.00 O ATOM 1108 CB THR A 73 1.983 18.305 -29.432 1.00 0.00 C ATOM 1109 OG1 THR A 73 2.035 17.693 -30.718 1.00 0.00 O ATOM 1110 CG2 THR A 73 2.980 19.461 -29.528 1.00 0.00 C ATOM 0 H THR A 73 0.429 16.662 -28.371 1.00 0.00 H new ATOM 0 HA THR A 73 3.330 16.729 -28.911 1.00 0.00 H new ATOM 0 HB THR A 73 1.017 18.686 -29.101 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.746 18.336 -31.398 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.599 20.214 -30.218 1.00 0.00 H new ATOM 0 HG22 THR A 73 3.115 19.908 -28.543 1.00 0.00 H new ATOM 0 HG23 THR A 73 3.937 19.087 -29.891 1.00 0.00 H new ATOM 1118 N TYR A 74 1.989 17.654 -26.154 1.00 0.00 N ATOM 1119 CA TYR A 74 2.277 18.120 -24.808 1.00 0.00 C ATOM 1120 C TYR A 74 3.514 17.424 -24.240 1.00 0.00 C ATOM 1121 O TYR A 74 4.309 18.042 -23.532 1.00 0.00 O ATOM 1122 CB TYR A 74 1.059 17.741 -23.962 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.211 18.514 -24.318 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.125 19.819 -24.760 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.445 17.907 -24.199 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.321 20.546 -25.096 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -2.641 18.635 -24.534 1.00 0.00 C ATOM 1128 CZ TYR A 74 -2.521 19.918 -24.966 1.00 0.00 C ATOM 1129 OH TYR A 74 -3.650 20.606 -25.284 1.00 0.00 O ATOM 0 H TYR A 74 1.052 17.272 -26.282 1.00 0.00 H new ATOM 0 HA TYR A 74 2.471 19.193 -24.806 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.867 16.674 -24.078 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.293 17.911 -22.911 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.840 20.295 -24.854 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.513 16.886 -23.855 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.267 21.567 -25.444 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.612 18.172 -24.444 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.433 20.033 -25.144 1.00 0.00 H new ATOM 1139 N ILE A 75 3.640 16.147 -24.571 1.00 0.00 N ATOM 1140 CA ILE A 75 4.768 15.360 -24.102 1.00 0.00 C ATOM 1141 C ILE A 75 6.031 16.223 -24.124 1.00 0.00 C ATOM 1142 O ILE A 75 6.238 17.003 -25.053 1.00 0.00 O ATOM 1143 CB ILE A 75 4.893 14.068 -24.911 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.126 12.925 -24.240 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.360 13.710 -25.151 1.00 0.00 C ATOM 1146 CD1 ILE A 75 4.957 12.289 -23.124 1.00 0.00 C ATOM 0 H ILE A 75 2.980 15.638 -25.158 1.00 0.00 H new ATOM 0 HA ILE A 75 4.612 15.049 -23.069 1.00 0.00 H new ATOM 0 HB ILE A 75 4.438 14.232 -25.888 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.189 13.302 -23.831 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.869 12.170 -24.982 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.420 12.787 -25.728 1.00 0.00 H new ATOM 0 HG22 ILE A 75 6.845 14.515 -25.702 1.00 0.00 H new ATOM 0 HG23 ILE A 75 6.862 13.572 -24.193 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.390 11.480 -22.664 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.882 11.892 -23.541 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.192 13.042 -22.371 1.00 0.00 H new ATOM 1158 N ILE A 76 6.844 16.054 -23.092 1.00 0.00 N ATOM 1159 CA ILE A 76 8.081 16.808 -22.981 1.00 0.00 C ATOM 1160 C ILE A 76 9.248 15.935 -23.446 1.00 0.00 C ATOM 1161 O ILE A 76 10.066 16.366 -24.258 1.00 0.00 O ATOM 1162 CB ILE A 76 8.249 17.357 -21.564 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.332 16.588 -20.803 1.00 0.00 C ATOM 1164 CG2 ILE A 76 6.915 17.360 -20.814 1.00 0.00 C ATOM 1165 CD1 ILE A 76 9.909 17.434 -19.666 1.00 0.00 C ATOM 0 H ILE A 76 6.670 15.405 -22.324 1.00 0.00 H new ATOM 0 HA ILE A 76 8.055 17.681 -23.634 1.00 0.00 H new ATOM 0 HB ILE A 76 8.579 18.393 -21.637 1.00 0.00 H new ATOM 0 HG12 ILE A 76 8.913 15.667 -20.399 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.129 16.301 -21.489 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.063 17.755 -19.809 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.199 17.985 -21.348 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.531 16.342 -20.750 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.676 16.864 -19.142 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.349 18.343 -20.076 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.113 17.698 -18.969 1.00 0.00 H new ATOM 1177 N GLY A 77 9.289 14.724 -22.910 1.00 0.00 N ATOM 1178 CA GLY A 77 10.343 13.786 -23.260 1.00 0.00 C ATOM 1179 C GLY A 77 10.454 12.673 -22.216 1.00 0.00 C ATOM 1180 O GLY A 77 9.563 11.834 -22.101 1.00 0.00 O ATOM 0 H GLY A 77 8.610 14.371 -22.236 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.139 13.352 -24.239 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.294 14.314 -23.337 1.00 0.00 H new ATOM 1184 N GLU A 78 11.557 12.702 -21.483 1.00 0.00 N ATOM 1185 CA GLU A 78 11.797 11.705 -20.453 1.00 0.00 C ATOM 1186 C GLU A 78 12.966 12.133 -19.563 1.00 0.00 C ATOM 1187 O GLU A 78 14.085 12.309 -20.043 1.00 0.00 O ATOM 1188 CB GLU A 78 12.052 10.329 -21.070 1.00 0.00 C ATOM 1189 CG GLU A 78 12.840 10.451 -22.376 1.00 0.00 C ATOM 1190 CD GLU A 78 12.815 9.135 -23.156 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.721 8.311 -22.907 1.00 0.00 O ATOM 1192 OE2 GLU A 78 11.890 8.984 -23.984 1.00 0.00 O ATOM 0 H GLU A 78 12.294 13.400 -21.582 1.00 0.00 H new ATOM 0 HA GLU A 78 10.903 11.628 -19.834 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.604 9.707 -20.365 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.102 9.830 -21.260 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.417 11.248 -22.987 1.00 0.00 H new ATOM 0 HG3 GLU A 78 13.871 10.729 -22.158 1.00 0.00 H new ATOM 1199 N LEU A 79 12.667 12.288 -18.281 1.00 0.00 N ATOM 1200 CA LEU A 79 13.680 12.691 -17.320 1.00 0.00 C ATOM 1201 C LEU A 79 14.803 11.653 -17.303 1.00 0.00 C ATOM 1202 O LEU A 79 14.596 10.502 -17.689 1.00 0.00 O ATOM 1203 CB LEU A 79 13.048 12.936 -15.948 1.00 0.00 C ATOM 1204 CG LEU A 79 13.132 11.777 -14.954 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.863 10.440 -15.647 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.473 11.782 -14.217 1.00 0.00 C ATOM 0 H LEU A 79 11.738 12.142 -17.886 1.00 0.00 H new ATOM 0 HA LEU A 79 14.128 13.640 -17.614 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.526 13.808 -15.500 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.998 13.188 -16.094 1.00 0.00 H new ATOM 0 HG LEU A 79 12.353 11.913 -14.204 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.929 9.632 -14.918 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.865 10.452 -16.086 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.603 10.282 -16.432 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.506 10.948 -13.516 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.285 11.683 -14.938 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.585 12.719 -13.671 1.00 0.00 H new ATOM 1218 N HIS A 80 15.967 12.094 -16.851 1.00 0.00 N ATOM 1219 CA HIS A 80 17.123 11.217 -16.778 1.00 0.00 C ATOM 1220 C HIS A 80 16.674 9.805 -16.395 1.00 0.00 C ATOM 1221 O HIS A 80 15.834 9.636 -15.512 1.00 0.00 O ATOM 1222 CB HIS A 80 18.176 11.783 -15.823 1.00 0.00 C ATOM 1223 CG HIS A 80 19.598 11.469 -16.221 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.396 10.585 -15.516 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.356 11.931 -17.257 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.579 10.526 -16.110 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.552 11.360 -17.188 1.00 0.00 N ATOM 0 H HIS A 80 16.135 13.048 -16.531 1.00 0.00 H new ATOM 0 HA HIS A 80 17.599 11.157 -17.757 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.056 12.865 -15.766 1.00 0.00 H new ATOM 0 HB3 HIS A 80 17.994 11.389 -14.823 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.037 12.641 -18.006 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.418 9.923 -15.795 1.00 0.00 H new ATOM 0 HE2 HIS A 80 22.324 11.519 -17.835 1.00 0.00 H new ATOM 1235 N PRO A 81 17.267 8.803 -17.097 1.00 0.00 N ATOM 1236 CA PRO A 81 16.936 7.412 -16.839 1.00 0.00 C ATOM 1237 C PRO A 81 17.577 6.928 -15.538 1.00 0.00 C ATOM 1238 O PRO A 81 17.146 5.930 -14.963 1.00 0.00 O ATOM 1239 CB PRO A 81 17.432 6.656 -18.062 1.00 0.00 C ATOM 1240 CG PRO A 81 18.431 7.578 -18.744 1.00 0.00 C ATOM 1241 CD PRO A 81 18.265 8.967 -18.149 1.00 0.00 C ATOM 0 HA PRO A 81 15.867 7.254 -16.695 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.901 5.715 -17.776 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.607 6.411 -18.731 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.448 7.217 -18.593 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.257 7.600 -19.820 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.207 9.340 -17.747 1.00 0.00 H new ATOM 0 HD3 PRO A 81 17.933 9.683 -18.901 1.00 0.00 H new ATOM 1249 N ASP A 82 18.597 7.658 -15.110 1.00 0.00 N ATOM 1250 CA ASP A 82 19.302 7.315 -13.887 1.00 0.00 C ATOM 1251 C ASP A 82 18.493 7.802 -12.684 1.00 0.00 C ATOM 1252 O ASP A 82 18.415 7.117 -11.665 1.00 0.00 O ATOM 1253 CB ASP A 82 20.676 7.987 -13.835 1.00 0.00 C ATOM 1254 CG ASP A 82 21.803 7.114 -13.279 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.870 5.939 -13.698 1.00 0.00 O ATOM 1256 OD2 ASP A 82 22.571 7.643 -12.447 1.00 0.00 O ATOM 0 H ASP A 82 18.952 8.486 -15.589 1.00 0.00 H new ATOM 0 HA ASP A 82 19.429 6.233 -13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 82 20.946 8.305 -14.842 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.600 8.888 -13.226 1.00 0.00 H new ATOM 1261 N ASP A 83 17.911 8.982 -12.840 1.00 0.00 N ATOM 1262 CA ASP A 83 17.110 9.568 -11.779 1.00 0.00 C ATOM 1263 C ASP A 83 15.745 8.879 -11.736 1.00 0.00 C ATOM 1264 O ASP A 83 15.111 8.815 -10.683 1.00 0.00 O ATOM 1265 CB ASP A 83 16.878 11.061 -12.025 1.00 0.00 C ATOM 1266 CG ASP A 83 18.027 11.974 -11.590 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.116 11.838 -12.188 1.00 0.00 O ATOM 1268 OD2 ASP A 83 17.788 12.786 -10.671 1.00 0.00 O ATOM 0 H ASP A 83 17.978 9.548 -13.686 1.00 0.00 H new ATOM 0 HA ASP A 83 17.646 9.436 -10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.694 11.215 -13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.973 11.364 -11.498 1.00 0.00 H new ATOM 1273 N ARG A 84 15.332 8.380 -12.892 1.00 0.00 N ATOM 1274 CA ARG A 84 14.054 7.697 -12.999 1.00 0.00 C ATOM 1275 C ARG A 84 14.046 6.445 -12.121 1.00 0.00 C ATOM 1276 O ARG A 84 13.010 6.072 -11.574 1.00 0.00 O ATOM 1277 CB ARG A 84 13.761 7.300 -14.447 1.00 0.00 C ATOM 1278 CG ARG A 84 12.931 6.016 -14.506 1.00 0.00 C ATOM 1279 CD ARG A 84 13.832 4.782 -14.581 1.00 0.00 C ATOM 1280 NE ARG A 84 13.177 3.725 -15.382 1.00 0.00 N ATOM 1281 CZ ARG A 84 13.836 2.737 -16.003 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.171 2.665 -15.920 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.159 1.821 -16.709 1.00 0.00 N ATOM 0 H ARG A 84 15.860 8.435 -13.763 1.00 0.00 H new ATOM 0 HA ARG A 84 13.280 8.386 -12.660 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.226 8.107 -14.948 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.698 7.157 -14.985 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.292 5.951 -13.625 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.274 6.044 -15.375 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.790 5.048 -15.028 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.041 4.412 -13.577 1.00 0.00 H new ATOM 0 HE ARG A 84 12.161 3.750 -15.467 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.687 3.363 -15.384 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.672 1.913 -16.393 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.143 1.876 -16.774 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.660 1.069 -17.182 1.00 0.00 H new ATOM 1297 N SER A 85 15.214 5.828 -12.015 1.00 0.00 N ATOM 1298 CA SER A 85 15.355 4.624 -11.213 1.00 0.00 C ATOM 1299 C SER A 85 15.718 4.994 -9.775 1.00 0.00 C ATOM 1300 O SER A 85 15.822 4.122 -8.913 1.00 0.00 O ATOM 1301 CB SER A 85 16.412 3.689 -11.804 1.00 0.00 C ATOM 1302 OG SER A 85 16.902 2.760 -10.842 1.00 0.00 O ATOM 0 H SER A 85 16.072 6.139 -12.471 1.00 0.00 H new ATOM 0 HA SER A 85 14.401 4.097 -11.216 1.00 0.00 H new ATOM 0 HB2 SER A 85 15.985 3.146 -12.647 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.242 4.280 -12.193 1.00 0.00 H new ATOM 0 HG SER A 85 16.384 2.843 -10.014 1.00 0.00 H new ATOM 1308 N LYS A 86 15.901 6.288 -9.557 1.00 0.00 N ATOM 1309 CA LYS A 86 16.251 6.784 -8.237 1.00 0.00 C ATOM 1310 C LYS A 86 14.971 7.074 -7.450 1.00 0.00 C ATOM 1311 O LYS A 86 14.952 6.960 -6.226 1.00 0.00 O ATOM 1312 CB LYS A 86 17.191 7.986 -8.347 1.00 0.00 C ATOM 1313 CG LYS A 86 18.644 7.533 -8.505 1.00 0.00 C ATOM 1314 CD LYS A 86 19.597 8.492 -7.790 1.00 0.00 C ATOM 1315 CE LYS A 86 21.040 7.989 -7.866 1.00 0.00 C ATOM 1316 NZ LYS A 86 21.908 8.761 -6.949 1.00 0.00 N ATOM 0 H LYS A 86 15.813 7.009 -10.273 1.00 0.00 H new ATOM 0 HA LYS A 86 16.804 6.027 -7.680 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.903 8.600 -9.200 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.095 8.610 -7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.762 6.528 -8.100 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.900 7.482 -9.563 1.00 0.00 H new ATOM 0 HD2 LYS A 86 19.529 9.482 -8.241 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.299 8.596 -6.747 1.00 0.00 H new ATOM 0 HE2 LYS A 86 21.077 6.931 -7.606 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.409 8.079 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.884 8.406 -7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 21.887 9.766 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.564 8.654 -5.973 1.00 0.00 H new ATOM 1330 N ILE A 87 13.933 7.442 -8.186 1.00 0.00 N ATOM 1331 CA ILE A 87 12.652 7.749 -7.574 1.00 0.00 C ATOM 1332 C ILE A 87 12.080 6.482 -6.936 1.00 0.00 C ATOM 1333 O ILE A 87 11.107 6.546 -6.186 1.00 0.00 O ATOM 1334 CB ILE A 87 11.715 8.404 -8.590 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.135 9.848 -8.874 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.258 8.309 -8.133 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.334 10.433 -10.039 1.00 0.00 C ATOM 0 H ILE A 87 13.953 7.535 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 87 12.777 8.480 -6.775 1.00 0.00 H new ATOM 0 HB ILE A 87 11.794 7.857 -9.529 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.984 10.456 -7.982 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.199 9.882 -9.107 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.613 8.782 -8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.978 7.261 -8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.143 8.816 -7.175 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.652 11.460 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.506 9.837 -10.935 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.272 10.420 -9.793 1.00 0.00 H new ATOM 1349 N ALA A 88 12.707 5.361 -7.259 1.00 0.00 N ATOM 1350 CA ALA A 88 12.273 4.080 -6.727 1.00 0.00 C ATOM 1351 C ALA A 88 12.531 4.045 -5.218 1.00 0.00 C ATOM 1352 O ALA A 88 13.295 3.211 -4.736 1.00 0.00 O ATOM 1353 CB ALA A 88 12.988 2.950 -7.467 1.00 0.00 C ATOM 0 H ALA A 88 13.513 5.313 -7.883 1.00 0.00 H new ATOM 0 HA ALA A 88 11.203 3.944 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.662 1.990 -7.067 1.00 0.00 H new ATOM 0 HB2 ALA A 88 12.748 3.001 -8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.065 3.052 -7.333 1.00 0.00 H new