USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 760 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 63 ASN : amide:sc=-0.00591 X(o=-0.043,f=-0.037) USER MOD Set 1.2: A 82 SER OG : rot 180:sc= -0.0372 USER MOD Set 2.1: A 38 TYR OH : rot 86:sc= 1.05 USER MOD Set 2.2: A 58 GLN :FLIP amide:sc= -4.03! C(o=-8.3!,f=-3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -14:sc= 0.524! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-11!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0805 USER MOD Single : A 33 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -1.18 USER MOD Single : A 46 SER OG : rot -50:sc= 1.25 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0043 USER MOD Single : A 72 HIS : no HE2:sc= -1.05 K(o=-1.1,f=-4.6!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.124) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -101:sc= 0.103 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.587 -16.689 -12.209 1.00 0.00 N ATOM 2 CA GLY A 1 7.034 -17.429 -11.087 1.00 0.00 C ATOM 3 C GLY A 1 7.699 -18.801 -10.954 1.00 0.00 C ATOM 4 O GLY A 1 7.026 -19.829 -11.017 1.00 0.00 O ATOM 0 H1 GLY A 1 7.120 -15.762 -12.278 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.608 -16.552 -12.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.430 -17.222 -13.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.176 -16.862 -10.167 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.960 -17.553 -11.223 1.00 0.00 H new ATOM 8 N SER A 2 9.011 -18.772 -10.774 1.00 0.00 N ATOM 9 CA SER A 2 9.774 -20.001 -10.632 1.00 0.00 C ATOM 10 C SER A 2 10.616 -19.949 -9.355 1.00 0.00 C ATOM 11 O SER A 2 10.898 -18.870 -8.837 1.00 0.00 O ATOM 12 CB SER A 2 10.670 -20.236 -11.849 1.00 0.00 C ATOM 13 OG SER A 2 10.737 -21.615 -12.204 1.00 0.00 O ATOM 0 H SER A 2 9.565 -17.917 -10.723 1.00 0.00 H new ATOM 0 HA SER A 2 9.073 -20.833 -10.564 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.291 -19.662 -12.695 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.673 -19.867 -11.637 1.00 0.00 H new ATOM 0 HG SER A 2 11.317 -21.724 -12.986 1.00 0.00 H new ATOM 19 N SER A 3 10.992 -21.129 -8.885 1.00 0.00 N ATOM 20 CA SER A 3 11.796 -21.233 -7.679 1.00 0.00 C ATOM 21 C SER A 3 12.851 -20.125 -7.657 1.00 0.00 C ATOM 22 O SER A 3 13.825 -20.176 -8.407 1.00 0.00 O ATOM 23 CB SER A 3 12.465 -22.605 -7.579 1.00 0.00 C ATOM 24 OG SER A 3 11.815 -23.448 -6.631 1.00 0.00 O ATOM 0 H SER A 3 10.755 -22.022 -9.318 1.00 0.00 H new ATOM 0 HA SER A 3 11.138 -21.117 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.456 -23.085 -8.558 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.510 -22.479 -7.296 1.00 0.00 H new ATOM 0 HG SER A 3 12.271 -24.315 -6.598 1.00 0.00 H new ATOM 30 N GLY A 4 12.622 -19.150 -6.790 1.00 0.00 N ATOM 31 CA GLY A 4 13.541 -18.032 -6.660 1.00 0.00 C ATOM 32 C GLY A 4 12.994 -16.982 -5.691 1.00 0.00 C ATOM 33 O GLY A 4 12.426 -17.325 -4.655 1.00 0.00 O ATOM 0 H GLY A 4 11.813 -19.111 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.507 -18.390 -6.306 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.708 -17.578 -7.637 1.00 0.00 H new ATOM 37 N SER A 5 13.186 -15.725 -6.061 1.00 0.00 N ATOM 38 CA SER A 5 12.718 -14.623 -5.237 1.00 0.00 C ATOM 39 C SER A 5 11.333 -14.171 -5.704 1.00 0.00 C ATOM 40 O SER A 5 10.920 -14.477 -6.821 1.00 0.00 O ATOM 41 CB SER A 5 13.700 -13.450 -5.278 1.00 0.00 C ATOM 42 OG SER A 5 14.731 -13.583 -4.302 1.00 0.00 O ATOM 0 H SER A 5 13.659 -15.445 -6.920 1.00 0.00 H new ATOM 0 HA SER A 5 12.651 -14.971 -4.206 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.146 -13.385 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.160 -12.518 -5.110 1.00 0.00 H new ATOM 0 HG SER A 5 15.338 -12.816 -4.361 1.00 0.00 H new ATOM 48 N SER A 6 10.653 -13.450 -4.824 1.00 0.00 N ATOM 49 CA SER A 6 9.323 -12.954 -5.132 1.00 0.00 C ATOM 50 C SER A 6 9.198 -11.491 -4.702 1.00 0.00 C ATOM 51 O SER A 6 10.071 -10.966 -4.011 1.00 0.00 O ATOM 52 CB SER A 6 8.247 -13.801 -4.450 1.00 0.00 C ATOM 53 OG SER A 6 7.342 -14.373 -5.390 1.00 0.00 O ATOM 0 H SER A 6 10.999 -13.198 -3.898 1.00 0.00 H new ATOM 0 HA SER A 6 9.173 -13.024 -6.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.722 -14.596 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.693 -13.183 -3.743 1.00 0.00 H new ATOM 0 HG SER A 6 6.672 -14.907 -4.915 1.00 0.00 H new ATOM 59 N GLY A 7 8.106 -10.873 -5.128 1.00 0.00 N ATOM 60 CA GLY A 7 7.856 -9.481 -4.795 1.00 0.00 C ATOM 61 C GLY A 7 7.761 -8.624 -6.059 1.00 0.00 C ATOM 62 O GLY A 7 8.550 -8.791 -6.988 1.00 0.00 O ATOM 0 H GLY A 7 7.384 -11.311 -5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.930 -9.400 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.656 -9.107 -4.157 1.00 0.00 H new ATOM 66 N GLU A 8 6.788 -7.725 -6.054 1.00 0.00 N ATOM 67 CA GLU A 8 6.579 -6.841 -7.188 1.00 0.00 C ATOM 68 C GLU A 8 6.041 -5.489 -6.716 1.00 0.00 C ATOM 69 O GLU A 8 4.944 -5.412 -6.164 1.00 0.00 O ATOM 70 CB GLU A 8 5.638 -7.478 -8.213 1.00 0.00 C ATOM 71 CG GLU A 8 6.405 -7.915 -9.463 1.00 0.00 C ATOM 72 CD GLU A 8 5.449 -8.442 -10.536 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.820 -7.593 -11.203 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.370 -9.683 -10.664 1.00 0.00 O ATOM 0 H GLU A 8 6.135 -7.590 -5.282 1.00 0.00 H new ATOM 0 HA GLU A 8 7.539 -6.677 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.139 -8.339 -7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.860 -6.766 -8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.973 -7.073 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.125 -8.690 -9.200 1.00 0.00 H new ATOM 81 N VAL A 9 6.837 -4.456 -6.951 1.00 0.00 N ATOM 82 CA VAL A 9 6.454 -3.111 -6.557 1.00 0.00 C ATOM 83 C VAL A 9 5.381 -2.589 -7.515 1.00 0.00 C ATOM 84 O VAL A 9 5.547 -2.653 -8.732 1.00 0.00 O ATOM 85 CB VAL A 9 7.690 -2.212 -6.496 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.292 -0.739 -6.386 1.00 0.00 C ATOM 87 CG2 VAL A 9 8.609 -2.619 -5.342 1.00 0.00 C ATOM 0 H VAL A 9 7.746 -4.524 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 9 6.022 -3.115 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 9 8.243 -2.341 -7.426 1.00 0.00 H new ATOM 0 HG11 VAL A 9 8.189 -0.122 -6.344 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.698 -0.457 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.705 -0.587 -5.480 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.480 -1.964 -5.322 1.00 0.00 H new ATOM 0 HG22 VAL A 9 8.069 -2.534 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.934 -3.650 -5.482 1.00 0.00 H new ATOM 97 N ARG A 10 4.305 -2.085 -6.929 1.00 0.00 N ATOM 98 CA ARG A 10 3.206 -1.552 -7.715 1.00 0.00 C ATOM 99 C ARG A 10 3.362 -0.040 -7.890 1.00 0.00 C ATOM 100 O ARG A 10 4.208 0.579 -7.247 1.00 0.00 O ATOM 101 CB ARG A 10 1.860 -1.846 -7.050 1.00 0.00 C ATOM 102 CG ARG A 10 1.653 -0.961 -5.819 1.00 0.00 C ATOM 103 CD ARG A 10 0.267 -1.186 -5.209 1.00 0.00 C ATOM 104 NE ARG A 10 0.374 -2.054 -4.015 1.00 0.00 N ATOM 105 CZ ARG A 10 -0.669 -2.424 -3.259 1.00 0.00 C ATOM 106 NH1 ARG A 10 -1.903 -2.004 -3.569 1.00 0.00 N ATOM 107 NH2 ARG A 10 -0.477 -3.214 -2.194 1.00 0.00 N ATOM 0 H ARG A 10 4.171 -2.035 -5.919 1.00 0.00 H new ATOM 0 HA ARG A 10 3.230 -2.038 -8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.053 -1.678 -7.763 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.815 -2.896 -6.760 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.421 -1.179 -5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.766 0.087 -6.097 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.178 -0.230 -4.935 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.393 -1.646 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 10 1.300 -2.392 -3.751 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.048 -1.403 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.697 -2.285 -2.994 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.463 -3.534 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.271 -3.496 -1.618 1.00 0.00 H new ATOM 121 N LEU A 11 2.532 0.511 -8.764 1.00 0.00 N ATOM 122 CA LEU A 11 2.567 1.939 -9.031 1.00 0.00 C ATOM 123 C LEU A 11 1.200 2.547 -8.710 1.00 0.00 C ATOM 124 O LEU A 11 0.223 2.292 -9.412 1.00 0.00 O ATOM 125 CB LEU A 11 3.038 2.204 -10.462 1.00 0.00 C ATOM 126 CG LEU A 11 4.463 1.758 -10.794 1.00 0.00 C ATOM 127 CD1 LEU A 11 4.800 2.042 -12.258 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.474 2.396 -9.838 1.00 0.00 C ATOM 0 H LEU A 11 1.832 -0.006 -9.296 1.00 0.00 H new ATOM 0 HA LEU A 11 3.294 2.431 -8.385 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.353 1.704 -11.147 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.959 3.274 -10.657 1.00 0.00 H new ATOM 0 HG LEU A 11 4.524 0.679 -10.654 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.819 1.715 -12.467 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.106 1.502 -12.902 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.716 3.112 -12.450 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.479 2.062 -10.096 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.419 3.481 -9.922 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.245 2.099 -8.815 1.00 0.00 H new ATOM 140 N VAL A 12 1.176 3.340 -7.649 1.00 0.00 N ATOM 141 CA VAL A 12 -0.055 3.987 -7.227 1.00 0.00 C ATOM 142 C VAL A 12 0.003 5.472 -7.592 1.00 0.00 C ATOM 143 O VAL A 12 1.055 6.100 -7.486 1.00 0.00 O ATOM 144 CB VAL A 12 -0.287 3.747 -5.734 1.00 0.00 C ATOM 145 CG1 VAL A 12 -1.406 4.644 -5.201 1.00 0.00 C ATOM 146 CG2 VAL A 12 -0.586 2.273 -5.455 1.00 0.00 C ATOM 0 H VAL A 12 1.989 3.549 -7.069 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.910 3.557 -7.748 1.00 0.00 H new ATOM 0 HB VAL A 12 0.631 4.008 -5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.550 4.453 -4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.136 5.690 -5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.331 4.429 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.747 2.130 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.481 1.974 -6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.257 1.663 -5.780 1.00 0.00 H new ATOM 156 N SER A 13 -1.142 5.990 -8.013 1.00 0.00 N ATOM 157 CA SER A 13 -1.234 7.389 -8.395 1.00 0.00 C ATOM 158 C SER A 13 -2.415 8.049 -7.680 1.00 0.00 C ATOM 159 O SER A 13 -3.549 7.584 -7.788 1.00 0.00 O ATOM 160 CB SER A 13 -1.381 7.538 -9.910 1.00 0.00 C ATOM 161 OG SER A 13 -2.745 7.514 -10.320 1.00 0.00 O ATOM 0 H SER A 13 -2.013 5.466 -8.098 1.00 0.00 H new ATOM 0 HA SER A 13 -0.311 7.887 -8.096 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.924 8.475 -10.228 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.839 6.734 -10.407 1.00 0.00 H new ATOM 0 HG SER A 13 -3.302 7.184 -9.584 1.00 0.00 H new ATOM 167 N LEU A 14 -2.108 9.121 -6.965 1.00 0.00 N ATOM 168 CA LEU A 14 -3.130 9.850 -6.232 1.00 0.00 C ATOM 169 C LEU A 14 -3.157 11.303 -6.711 1.00 0.00 C ATOM 170 O LEU A 14 -2.118 11.957 -6.779 1.00 0.00 O ATOM 171 CB LEU A 14 -2.915 9.703 -4.725 1.00 0.00 C ATOM 172 CG LEU A 14 -3.507 8.447 -4.082 1.00 0.00 C ATOM 173 CD1 LEU A 14 -5.023 8.394 -4.274 1.00 0.00 C ATOM 174 CD2 LEU A 14 -2.818 7.186 -4.609 1.00 0.00 C ATOM 0 H LEU A 14 -1.166 9.503 -6.877 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.116 9.430 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.843 9.717 -4.528 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.341 10.576 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.321 8.492 -3.009 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.418 7.491 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.479 9.270 -3.813 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.255 8.383 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.257 6.307 -4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.952 7.122 -5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.754 7.229 -4.377 1.00 0.00 H new ATOM 186 N ARG A 15 -4.357 11.764 -7.032 1.00 0.00 N ATOM 187 CA ARG A 15 -4.532 13.128 -7.503 1.00 0.00 C ATOM 188 C ARG A 15 -5.622 13.833 -6.693 1.00 0.00 C ATOM 189 O ARG A 15 -6.713 13.293 -6.512 1.00 0.00 O ATOM 190 CB ARG A 15 -4.911 13.154 -8.985 1.00 0.00 C ATOM 191 CG ARG A 15 -6.191 12.355 -9.238 1.00 0.00 C ATOM 192 CD ARG A 15 -7.341 13.278 -9.647 1.00 0.00 C ATOM 193 NE ARG A 15 -8.540 12.476 -9.978 1.00 0.00 N ATOM 194 CZ ARG A 15 -8.650 11.703 -11.068 1.00 0.00 C ATOM 195 NH1 ARG A 15 -7.634 11.624 -11.938 1.00 0.00 N ATOM 196 NH2 ARG A 15 -9.776 11.010 -11.287 1.00 0.00 N ATOM 0 H ARG A 15 -5.217 11.218 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.583 13.648 -7.373 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.051 14.185 -9.310 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.096 12.740 -9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.015 11.618 -10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.464 11.804 -8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.569 13.970 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.047 13.880 -10.507 1.00 0.00 H new ATOM 0 HE ARG A 15 -9.332 12.514 -9.337 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.777 12.152 -11.771 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.717 11.036 -12.767 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.549 11.071 -10.625 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -9.860 10.422 -12.116 1.00 0.00 H new ATOM 210 N ARG A 16 -5.289 15.027 -6.227 1.00 0.00 N ATOM 211 CA ARG A 16 -6.226 15.812 -5.440 1.00 0.00 C ATOM 212 C ARG A 16 -5.518 17.018 -4.820 1.00 0.00 C ATOM 213 O ARG A 16 -4.604 16.858 -4.012 1.00 0.00 O ATOM 214 CB ARG A 16 -6.852 14.969 -4.328 1.00 0.00 C ATOM 215 CG ARG A 16 -8.377 14.947 -4.448 1.00 0.00 C ATOM 216 CD ARG A 16 -9.020 14.389 -3.177 1.00 0.00 C ATOM 217 NE ARG A 16 -9.289 12.943 -3.338 1.00 0.00 N ATOM 218 CZ ARG A 16 -10.190 12.438 -4.192 1.00 0.00 C ATOM 219 NH1 ARG A 16 -10.913 13.258 -4.966 1.00 0.00 N ATOM 220 NH2 ARG A 16 -10.367 11.112 -4.271 1.00 0.00 N ATOM 0 H ARG A 16 -4.383 15.471 -6.379 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.016 16.155 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.465 13.951 -4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.566 15.372 -3.357 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.745 15.956 -4.633 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.669 14.339 -5.304 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.361 14.552 -2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.949 14.919 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.756 12.290 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.778 14.267 -4.906 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.599 12.873 -5.616 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.816 10.488 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.053 10.727 -4.921 1.00 0.00 H new ATOM 234 N ALA A 17 -5.967 18.198 -5.220 1.00 0.00 N ATOM 235 CA ALA A 17 -5.388 19.431 -4.714 1.00 0.00 C ATOM 236 C ALA A 17 -6.345 20.591 -4.994 1.00 0.00 C ATOM 237 O ALA A 17 -6.613 20.915 -6.150 1.00 0.00 O ATOM 238 CB ALA A 17 -4.011 19.646 -5.345 1.00 0.00 C ATOM 0 H ALA A 17 -6.726 18.327 -5.889 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.246 19.373 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.577 20.571 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.360 18.809 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.113 19.711 -6.428 1.00 0.00 H new ATOM 244 N LYS A 18 -6.835 21.185 -3.915 1.00 0.00 N ATOM 245 CA LYS A 18 -7.757 22.303 -4.030 1.00 0.00 C ATOM 246 C LYS A 18 -7.890 22.991 -2.670 1.00 0.00 C ATOM 247 O LYS A 18 -7.367 24.086 -2.471 1.00 0.00 O ATOM 248 CB LYS A 18 -9.091 21.839 -4.618 1.00 0.00 C ATOM 249 CG LYS A 18 -10.202 22.849 -4.322 1.00 0.00 C ATOM 250 CD LYS A 18 -9.870 24.218 -4.919 1.00 0.00 C ATOM 251 CE LYS A 18 -10.944 25.247 -4.561 1.00 0.00 C ATOM 252 NZ LYS A 18 -10.704 26.519 -5.278 1.00 0.00 N ATOM 0 H LYS A 18 -6.611 20.913 -2.958 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.369 23.046 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.992 21.708 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.358 20.867 -4.202 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.145 22.488 -4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.337 22.941 -3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.901 24.555 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.787 24.136 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -11.929 24.858 -4.819 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.943 25.423 -3.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.442 27.206 -5.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.773 26.897 -5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.728 26.349 -6.304 1.00 0.00 H new ATOM 266 N ALA A 19 -8.592 22.319 -1.769 1.00 0.00 N ATOM 267 CA ALA A 19 -8.800 22.852 -0.434 1.00 0.00 C ATOM 268 C ALA A 19 -8.676 21.720 0.588 1.00 0.00 C ATOM 269 O ALA A 19 -9.267 21.782 1.665 1.00 0.00 O ATOM 270 CB ALA A 19 -10.160 23.550 -0.368 1.00 0.00 C ATOM 0 H ALA A 19 -9.024 21.410 -1.938 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.040 23.596 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.316 23.950 0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.186 24.365 -1.092 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.948 22.834 -0.599 1.00 0.00 H new ATOM 276 N HIS A 20 -7.903 20.710 0.214 1.00 0.00 N ATOM 277 CA HIS A 20 -7.694 19.566 1.084 1.00 0.00 C ATOM 278 C HIS A 20 -6.283 19.012 0.873 1.00 0.00 C ATOM 279 O HIS A 20 -5.719 19.137 -0.212 1.00 0.00 O ATOM 280 CB HIS A 20 -8.783 18.512 0.867 1.00 0.00 C ATOM 281 CG HIS A 20 -8.984 18.127 -0.579 1.00 0.00 C ATOM 282 ND1 HIS A 20 -9.746 18.879 -1.456 1.00 0.00 N ATOM 283 CD2 HIS A 20 -8.516 17.062 -1.291 1.00 0.00 C ATOM 284 CE1 HIS A 20 -9.730 18.284 -2.640 1.00 0.00 C ATOM 285 NE2 HIS A 20 -8.968 17.157 -2.535 1.00 0.00 N ATOM 0 H HIS A 20 -7.414 20.661 -0.680 1.00 0.00 H new ATOM 0 HA HIS A 20 -7.773 19.877 2.126 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -8.529 17.619 1.438 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -9.724 18.889 1.266 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -10.237 19.744 -1.230 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.884 16.275 -0.907 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.232 18.630 -3.531 1.00 0.00 H new ATOM 293 N GLU A 21 -5.754 18.413 1.930 1.00 0.00 N ATOM 294 CA GLU A 21 -4.420 17.840 1.875 1.00 0.00 C ATOM 295 C GLU A 21 -4.485 16.323 2.067 1.00 0.00 C ATOM 296 O GLU A 21 -5.427 15.810 2.668 1.00 0.00 O ATOM 297 CB GLU A 21 -3.503 18.485 2.915 1.00 0.00 C ATOM 298 CG GLU A 21 -3.803 17.952 4.317 1.00 0.00 C ATOM 299 CD GLU A 21 -3.220 18.873 5.391 1.00 0.00 C ATOM 300 OE1 GLU A 21 -3.906 19.865 5.720 1.00 0.00 O ATOM 301 OE2 GLU A 21 -2.103 18.565 5.858 1.00 0.00 O ATOM 0 H GLU A 21 -6.225 18.312 2.829 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.999 18.044 0.891 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.462 18.285 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.633 19.567 2.898 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.881 17.865 4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.386 16.951 4.426 1.00 0.00 H new ATOM 308 N GLY A 22 -3.472 15.648 1.544 1.00 0.00 N ATOM 309 CA GLY A 22 -3.402 14.201 1.651 1.00 0.00 C ATOM 310 C GLY A 22 -3.746 13.536 0.317 1.00 0.00 C ATOM 311 O GLY A 22 -4.447 14.119 -0.509 1.00 0.00 O ATOM 0 H GLY A 22 -2.693 16.077 1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.401 13.904 1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.091 13.856 2.422 1.00 0.00 H new ATOM 315 N LEU A 23 -3.238 12.324 0.148 1.00 0.00 N ATOM 316 CA LEU A 23 -3.483 11.573 -1.072 1.00 0.00 C ATOM 317 C LEU A 23 -4.499 10.465 -0.788 1.00 0.00 C ATOM 318 O LEU A 23 -4.608 9.507 -1.552 1.00 0.00 O ATOM 319 CB LEU A 23 -2.166 11.064 -1.661 1.00 0.00 C ATOM 320 CG LEU A 23 -0.892 11.715 -1.118 1.00 0.00 C ATOM 321 CD1 LEU A 23 0.344 10.892 -1.487 1.00 0.00 C ATOM 322 CD2 LEU A 23 -0.775 13.166 -1.586 1.00 0.00 C ATOM 0 H LEU A 23 -2.658 11.843 0.835 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.919 12.217 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.104 9.990 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.193 11.210 -2.741 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.954 11.732 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.236 11.376 -1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.255 9.892 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.423 10.821 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.139 13.605 -1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.745 13.196 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.635 13.733 -1.231 1.00 0.00 H new ATOM 334 N GLY A 24 -5.216 10.632 0.313 1.00 0.00 N ATOM 335 CA GLY A 24 -6.219 9.657 0.707 1.00 0.00 C ATOM 336 C GLY A 24 -5.655 8.675 1.736 1.00 0.00 C ATOM 337 O GLY A 24 -6.405 8.082 2.510 1.00 0.00 O ATOM 0 H GLY A 24 -5.123 11.427 0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.085 10.170 1.125 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.565 9.111 -0.171 1.00 0.00 H new ATOM 341 N PHE A 25 -4.338 8.532 1.710 1.00 0.00 N ATOM 342 CA PHE A 25 -3.665 7.632 2.630 1.00 0.00 C ATOM 343 C PHE A 25 -2.604 8.374 3.446 1.00 0.00 C ATOM 344 O PHE A 25 -1.861 9.192 2.907 1.00 0.00 O ATOM 345 CB PHE A 25 -2.980 6.557 1.784 1.00 0.00 C ATOM 346 CG PHE A 25 -1.687 7.024 1.112 1.00 0.00 C ATOM 347 CD1 PHE A 25 -1.739 7.689 -0.074 1.00 0.00 C ATOM 348 CD2 PHE A 25 -0.487 6.776 1.700 1.00 0.00 C ATOM 349 CE1 PHE A 25 -0.539 8.122 -0.698 1.00 0.00 C ATOM 350 CE2 PHE A 25 0.713 7.209 1.076 1.00 0.00 C ATOM 351 CZ PHE A 25 0.661 7.874 -0.110 1.00 0.00 C ATOM 0 H PHE A 25 -3.719 9.025 1.066 1.00 0.00 H new ATOM 0 HA PHE A 25 -4.387 7.204 3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.759 5.698 2.417 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.674 6.217 1.016 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.693 7.887 -0.541 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.446 6.249 2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.580 8.649 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.667 7.011 1.543 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.573 8.205 -0.584 1.00 0.00 H new ATOM 361 N SER A 26 -2.569 8.062 4.733 1.00 0.00 N ATOM 362 CA SER A 26 -1.612 8.689 5.629 1.00 0.00 C ATOM 363 C SER A 26 -0.362 7.816 5.755 1.00 0.00 C ATOM 364 O SER A 26 -0.450 6.590 5.708 1.00 0.00 O ATOM 365 CB SER A 26 -2.228 8.936 7.008 1.00 0.00 C ATOM 366 OG SER A 26 -2.391 10.326 7.278 1.00 0.00 O ATOM 0 H SER A 26 -3.188 7.383 5.177 1.00 0.00 H new ATOM 0 HA SER A 26 -1.332 9.654 5.208 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.196 8.439 7.067 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.594 8.490 7.774 1.00 0.00 H new ATOM 0 HG SER A 26 -2.788 10.442 8.166 1.00 0.00 H new ATOM 372 N ILE A 27 0.773 8.481 5.912 1.00 0.00 N ATOM 373 CA ILE A 27 2.039 7.780 6.044 1.00 0.00 C ATOM 374 C ILE A 27 2.549 7.926 7.479 1.00 0.00 C ATOM 375 O ILE A 27 2.069 8.773 8.230 1.00 0.00 O ATOM 376 CB ILE A 27 3.033 8.264 4.986 1.00 0.00 C ATOM 377 CG1 ILE A 27 3.391 9.736 5.202 1.00 0.00 C ATOM 378 CG2 ILE A 27 2.500 8.005 3.575 1.00 0.00 C ATOM 379 CD1 ILE A 27 4.837 10.014 4.788 1.00 0.00 C ATOM 0 H ILE A 27 0.842 9.498 5.951 1.00 0.00 H new ATOM 0 HA ILE A 27 1.906 6.714 5.858 1.00 0.00 H new ATOM 0 HB ILE A 27 3.953 7.690 5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.716 10.367 4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.252 9.998 6.251 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.225 8.358 2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.337 6.936 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.558 8.536 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.066 11.067 4.951 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.511 9.399 5.385 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.966 9.774 3.733 1.00 0.00 H new ATOM 391 N ARG A 28 3.517 7.086 7.817 1.00 0.00 N ATOM 392 CA ARG A 28 4.098 7.111 9.149 1.00 0.00 C ATOM 393 C ARG A 28 5.562 6.671 9.097 1.00 0.00 C ATOM 394 O ARG A 28 6.061 6.282 8.042 1.00 0.00 O ATOM 395 CB ARG A 28 3.330 6.192 10.102 1.00 0.00 C ATOM 396 CG ARG A 28 3.301 4.756 9.574 1.00 0.00 C ATOM 397 CD ARG A 28 3.395 3.748 10.721 1.00 0.00 C ATOM 398 NE ARG A 28 3.174 2.377 10.210 1.00 0.00 N ATOM 399 CZ ARG A 28 3.598 1.267 10.830 1.00 0.00 C ATOM 400 NH1 ARG A 28 4.267 1.359 11.987 1.00 0.00 N ATOM 401 NH2 ARG A 28 3.352 0.064 10.292 1.00 0.00 N ATOM 0 H ARG A 28 3.913 6.384 7.192 1.00 0.00 H new ATOM 0 HA ARG A 28 4.035 8.134 9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.797 6.212 11.087 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.311 6.559 10.225 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.381 4.589 9.013 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.129 4.603 8.882 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.374 3.815 11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.654 3.984 11.485 1.00 0.00 H new ATOM 0 HE ARG A 28 2.667 2.270 9.331 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.454 2.274 12.397 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.589 0.514 12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.842 -0.006 9.411 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.674 -0.781 10.763 1.00 0.00 H new ATOM 415 N GLY A 29 6.211 6.748 10.250 1.00 0.00 N ATOM 416 CA GLY A 29 7.609 6.363 10.349 1.00 0.00 C ATOM 417 C GLY A 29 8.523 7.586 10.250 1.00 0.00 C ATOM 418 O GLY A 29 8.240 8.627 10.842 1.00 0.00 O ATOM 0 H GLY A 29 5.795 7.071 11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.783 5.851 11.295 1.00 0.00 H new ATOM 0 HA3 GLY A 29 7.853 5.657 9.555 1.00 0.00 H new ATOM 422 N GLY A 30 9.601 7.420 9.498 1.00 0.00 N ATOM 423 CA GLY A 30 10.558 8.498 9.314 1.00 0.00 C ATOM 424 C GLY A 30 11.947 8.088 9.807 1.00 0.00 C ATOM 425 O GLY A 30 12.070 7.258 10.707 1.00 0.00 O ATOM 0 H GLY A 30 9.833 6.555 9.009 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.608 8.769 8.259 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.223 9.383 9.855 1.00 0.00 H new ATOM 429 N SER A 31 12.958 8.688 9.196 1.00 0.00 N ATOM 430 CA SER A 31 14.333 8.395 9.561 1.00 0.00 C ATOM 431 C SER A 31 14.599 8.844 11.000 1.00 0.00 C ATOM 432 O SER A 31 15.515 8.343 11.651 1.00 0.00 O ATOM 433 CB SER A 31 15.314 9.074 8.604 1.00 0.00 C ATOM 434 OG SER A 31 15.262 10.495 8.704 1.00 0.00 O ATOM 0 H SER A 31 12.852 9.376 8.450 1.00 0.00 H new ATOM 0 HA SER A 31 14.484 7.318 9.489 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.326 8.732 8.820 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.088 8.774 7.581 1.00 0.00 H new ATOM 0 HG SER A 31 15.904 10.891 8.078 1.00 0.00 H new ATOM 440 N GLU A 32 13.782 9.783 11.453 1.00 0.00 N ATOM 441 CA GLU A 32 13.917 10.305 12.803 1.00 0.00 C ATOM 442 C GLU A 32 13.594 9.216 13.828 1.00 0.00 C ATOM 443 O GLU A 32 14.096 9.246 14.950 1.00 0.00 O ATOM 444 CB GLU A 32 13.027 11.532 13.008 1.00 0.00 C ATOM 445 CG GLU A 32 11.582 11.236 12.603 1.00 0.00 C ATOM 446 CD GLU A 32 10.596 11.846 13.601 1.00 0.00 C ATOM 447 OE1 GLU A 32 10.788 11.599 14.811 1.00 0.00 O ATOM 448 OE2 GLU A 32 9.673 12.546 13.132 1.00 0.00 O ATOM 0 H GLU A 32 13.024 10.196 10.910 1.00 0.00 H new ATOM 0 HA GLU A 32 14.951 10.619 12.949 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.060 11.839 14.053 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.410 12.366 12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.391 11.636 11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.430 10.158 12.549 1.00 0.00 H new ATOM 455 N HIS A 33 12.757 8.279 13.405 1.00 0.00 N ATOM 456 CA HIS A 33 12.361 7.183 14.273 1.00 0.00 C ATOM 457 C HIS A 33 13.267 5.977 14.021 1.00 0.00 C ATOM 458 O HIS A 33 13.305 5.046 14.825 1.00 0.00 O ATOM 459 CB HIS A 33 10.877 6.857 14.093 1.00 0.00 C ATOM 460 CG HIS A 33 9.977 7.504 15.120 1.00 0.00 C ATOM 461 ND1 HIS A 33 9.538 6.842 16.254 1.00 0.00 N ATOM 462 CD2 HIS A 33 9.441 8.757 15.173 1.00 0.00 C ATOM 463 CE1 HIS A 33 8.772 7.670 16.949 1.00 0.00 C ATOM 464 NE2 HIS A 33 8.713 8.855 16.278 1.00 0.00 N ATOM 0 H HIS A 33 12.343 8.257 12.473 1.00 0.00 H new ATOM 0 HA HIS A 33 12.485 7.476 15.315 1.00 0.00 H new ATOM 0 HB2 HIS A 33 10.564 7.175 13.099 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.745 5.776 14.139 1.00 0.00 H new ATOM 0 HD2 HIS A 33 9.585 9.537 14.440 1.00 0.00 H new ATOM 0 HE1 HIS A 33 8.280 7.445 17.884 1.00 0.00 H new ATOM 0 HE2 HIS A 33 8.195 9.681 16.576 1.00 0.00 H new ATOM 472 N GLY A 34 13.974 6.031 12.902 1.00 0.00 N ATOM 473 CA GLY A 34 14.878 4.954 12.535 1.00 0.00 C ATOM 474 C GLY A 34 14.238 4.033 11.494 1.00 0.00 C ATOM 475 O GLY A 34 14.780 2.974 11.181 1.00 0.00 O ATOM 0 H GLY A 34 13.939 6.804 12.237 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.804 5.371 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.143 4.378 13.422 1.00 0.00 H new ATOM 479 N VAL A 35 13.095 4.470 10.987 1.00 0.00 N ATOM 480 CA VAL A 35 12.376 3.697 9.988 1.00 0.00 C ATOM 481 C VAL A 35 12.252 4.521 8.705 1.00 0.00 C ATOM 482 O VAL A 35 12.697 5.667 8.653 1.00 0.00 O ATOM 483 CB VAL A 35 11.022 3.252 10.545 1.00 0.00 C ATOM 484 CG1 VAL A 35 11.162 2.739 11.980 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.997 4.385 10.465 1.00 0.00 C ATOM 0 H VAL A 35 12.649 5.349 11.249 1.00 0.00 H new ATOM 0 HA VAL A 35 12.925 2.789 9.740 1.00 0.00 H new ATOM 0 HB VAL A 35 10.660 2.429 9.929 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.186 2.429 12.352 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.844 1.889 11.998 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.557 3.533 12.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.044 4.042 10.867 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.350 5.237 11.046 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.866 4.684 9.425 1.00 0.00 H new ATOM 495 N GLY A 36 11.647 3.905 7.700 1.00 0.00 N ATOM 496 CA GLY A 36 11.460 4.566 6.420 1.00 0.00 C ATOM 497 C GLY A 36 10.068 5.196 6.327 1.00 0.00 C ATOM 498 O GLY A 36 9.667 5.956 7.206 1.00 0.00 O ATOM 0 H GLY A 36 11.280 2.955 7.747 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.221 5.335 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.592 3.846 5.612 1.00 0.00 H new ATOM 502 N ILE A 37 9.371 4.855 5.253 1.00 0.00 N ATOM 503 CA ILE A 37 8.033 5.377 5.033 1.00 0.00 C ATOM 504 C ILE A 37 7.063 4.212 4.825 1.00 0.00 C ATOM 505 O ILE A 37 7.362 3.275 4.086 1.00 0.00 O ATOM 506 CB ILE A 37 8.034 6.388 3.885 1.00 0.00 C ATOM 507 CG1 ILE A 37 9.258 7.303 3.961 1.00 0.00 C ATOM 508 CG2 ILE A 37 6.726 7.182 3.852 1.00 0.00 C ATOM 509 CD1 ILE A 37 9.122 8.306 5.108 1.00 0.00 C ATOM 0 H ILE A 37 9.708 4.224 4.526 1.00 0.00 H new ATOM 0 HA ILE A 37 7.690 5.926 5.910 1.00 0.00 H new ATOM 0 HB ILE A 37 8.101 5.838 2.946 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.157 6.703 4.103 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.376 7.837 3.018 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.753 7.893 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.889 6.498 3.714 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.604 7.721 4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.005 8.944 5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.236 8.921 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.028 7.769 6.052 1.00 0.00 H new ATOM 521 N TYR A 38 5.921 4.308 5.490 1.00 0.00 N ATOM 522 CA TYR A 38 4.906 3.274 5.387 1.00 0.00 C ATOM 523 C TYR A 38 3.509 3.850 5.630 1.00 0.00 C ATOM 524 O TYR A 38 3.346 4.782 6.416 1.00 0.00 O ATOM 525 CB TYR A 38 5.224 2.260 6.488 1.00 0.00 C ATOM 526 CG TYR A 38 6.573 1.558 6.316 1.00 0.00 C ATOM 527 CD1 TYR A 38 6.676 0.449 5.502 1.00 0.00 C ATOM 528 CD2 TYR A 38 7.687 2.035 6.976 1.00 0.00 C ATOM 529 CE1 TYR A 38 7.945 -0.211 5.340 1.00 0.00 C ATOM 530 CE2 TYR A 38 8.957 1.375 6.815 1.00 0.00 C ATOM 531 CZ TYR A 38 9.023 0.285 6.005 1.00 0.00 C ATOM 532 OH TYR A 38 10.222 -0.339 5.853 1.00 0.00 O ATOM 0 H TYR A 38 5.676 5.086 6.102 1.00 0.00 H new ATOM 0 HA TYR A 38 4.912 2.828 4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.211 2.769 7.452 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.435 1.508 6.514 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.804 0.076 4.986 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.607 2.903 7.613 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.039 -1.080 4.705 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.837 1.738 7.326 1.00 0.00 H new ATOM 0 HH TYR A 38 10.674 0.010 5.056 1.00 0.00 H new ATOM 542 N VAL A 39 2.537 3.272 4.940 1.00 0.00 N ATOM 543 CA VAL A 39 1.160 3.716 5.070 1.00 0.00 C ATOM 544 C VAL A 39 0.697 3.510 6.514 1.00 0.00 C ATOM 545 O VAL A 39 1.022 2.500 7.135 1.00 0.00 O ATOM 546 CB VAL A 39 0.278 2.993 4.050 1.00 0.00 C ATOM 547 CG1 VAL A 39 -1.149 3.544 4.072 1.00 0.00 C ATOM 548 CG2 VAL A 39 0.878 3.082 2.646 1.00 0.00 C ATOM 0 H VAL A 39 2.676 2.499 4.289 1.00 0.00 H new ATOM 0 HA VAL A 39 1.080 4.781 4.851 1.00 0.00 H new ATOM 0 HB VAL A 39 0.235 1.940 4.330 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.755 3.013 3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.577 3.406 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.133 4.606 3.829 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.232 2.560 1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.965 4.128 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.866 2.621 2.643 1.00 0.00 H new ATOM 558 N SER A 40 -0.055 4.484 7.005 1.00 0.00 N ATOM 559 CA SER A 40 -0.567 4.422 8.363 1.00 0.00 C ATOM 560 C SER A 40 -2.093 4.321 8.344 1.00 0.00 C ATOM 561 O SER A 40 -2.684 3.632 9.175 1.00 0.00 O ATOM 562 CB SER A 40 -0.126 5.643 9.174 1.00 0.00 C ATOM 563 OG SER A 40 -1.003 6.751 8.989 1.00 0.00 O ATOM 0 H SER A 40 -0.322 5.321 6.486 1.00 0.00 H new ATOM 0 HA SER A 40 -0.157 3.533 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.090 5.382 10.232 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.885 5.927 8.881 1.00 0.00 H new ATOM 0 HG SER A 40 -0.689 7.510 9.524 1.00 0.00 H new ATOM 569 N LEU A 41 -2.688 5.017 7.387 1.00 0.00 N ATOM 570 CA LEU A 41 -4.135 5.014 7.248 1.00 0.00 C ATOM 571 C LEU A 41 -4.502 5.163 5.771 1.00 0.00 C ATOM 572 O LEU A 41 -3.851 5.906 5.038 1.00 0.00 O ATOM 573 CB LEU A 41 -4.761 6.082 8.148 1.00 0.00 C ATOM 574 CG LEU A 41 -6.241 6.383 7.901 1.00 0.00 C ATOM 575 CD1 LEU A 41 -6.443 7.066 6.548 1.00 0.00 C ATOM 576 CD2 LEU A 41 -7.088 5.116 8.036 1.00 0.00 C ATOM 0 H LEU A 41 -2.195 5.587 6.700 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.548 4.063 7.585 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.642 5.770 9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.197 7.007 8.027 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.580 7.080 8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.503 7.269 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.888 8.004 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.082 6.413 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.135 5.358 7.856 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.756 4.377 7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.977 4.710 9.041 1.00 0.00 H new ATOM 588 N VAL A 42 -5.543 4.445 5.377 1.00 0.00 N ATOM 589 CA VAL A 42 -6.004 4.488 4.000 1.00 0.00 C ATOM 590 C VAL A 42 -7.532 4.567 3.980 1.00 0.00 C ATOM 591 O VAL A 42 -8.211 3.659 4.457 1.00 0.00 O ATOM 592 CB VAL A 42 -5.458 3.285 3.227 1.00 0.00 C ATOM 593 CG1 VAL A 42 -6.377 2.921 2.059 1.00 0.00 C ATOM 594 CG2 VAL A 42 -4.031 3.547 2.742 1.00 0.00 C ATOM 0 H VAL A 42 -6.081 3.830 5.988 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.626 5.379 3.499 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.429 2.434 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.966 2.063 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.367 2.671 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.453 3.769 1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.667 2.677 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.024 4.417 2.085 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.384 3.734 3.599 1.00 0.00 H new ATOM 604 N GLU A 43 -8.029 5.663 3.424 1.00 0.00 N ATOM 605 CA GLU A 43 -9.464 5.873 3.337 1.00 0.00 C ATOM 606 C GLU A 43 -10.090 4.864 2.371 1.00 0.00 C ATOM 607 O GLU A 43 -9.548 4.611 1.296 1.00 0.00 O ATOM 608 CB GLU A 43 -9.783 7.308 2.914 1.00 0.00 C ATOM 609 CG GLU A 43 -9.785 8.248 4.121 1.00 0.00 C ATOM 610 CD GLU A 43 -11.054 9.102 4.150 1.00 0.00 C ATOM 611 OE1 GLU A 43 -12.138 8.513 3.948 1.00 0.00 O ATOM 612 OE2 GLU A 43 -10.911 10.323 4.373 1.00 0.00 O ATOM 0 H GLU A 43 -7.463 6.414 3.030 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.896 5.716 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.047 7.648 2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.756 7.338 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.713 7.666 5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.908 8.895 4.084 1.00 0.00 H new ATOM 619 N PRO A 44 -11.251 4.302 2.800 1.00 0.00 N ATOM 620 CA PRO A 44 -11.957 3.328 1.985 1.00 0.00 C ATOM 621 C PRO A 44 -12.676 4.006 0.818 1.00 0.00 C ATOM 622 O PRO A 44 -13.022 3.355 -0.166 1.00 0.00 O ATOM 623 CB PRO A 44 -12.908 2.629 2.943 1.00 0.00 C ATOM 624 CG PRO A 44 -13.034 3.546 4.148 1.00 0.00 C ATOM 625 CD PRO A 44 -11.922 4.579 4.067 1.00 0.00 C ATOM 0 HA PRO A 44 -11.286 2.609 1.514 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.879 2.461 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.521 1.652 3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.009 4.034 4.156 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.957 2.974 5.073 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.321 5.593 4.090 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.234 4.487 4.908 1.00 0.00 H new ATOM 633 N GLY A 45 -12.880 5.307 0.966 1.00 0.00 N ATOM 634 CA GLY A 45 -13.552 6.081 -0.064 1.00 0.00 C ATOM 635 C GLY A 45 -12.579 7.043 -0.749 1.00 0.00 C ATOM 636 O GLY A 45 -12.964 8.140 -1.150 1.00 0.00 O ATOM 0 H GLY A 45 -12.592 5.844 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -13.986 5.409 -0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -14.375 6.643 0.377 1.00 0.00 H new ATOM 640 N SER A 46 -11.337 6.596 -0.863 1.00 0.00 N ATOM 641 CA SER A 46 -10.306 7.403 -1.493 1.00 0.00 C ATOM 642 C SER A 46 -9.723 6.661 -2.697 1.00 0.00 C ATOM 643 O SER A 46 -9.787 5.434 -2.765 1.00 0.00 O ATOM 644 CB SER A 46 -9.197 7.754 -0.499 1.00 0.00 C ATOM 645 OG SER A 46 -8.466 6.603 -0.086 1.00 0.00 O ATOM 0 H SER A 46 -11.021 5.685 -0.530 1.00 0.00 H new ATOM 0 HA SER A 46 -10.761 8.334 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.515 8.472 -0.955 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.633 8.239 0.374 1.00 0.00 H new ATOM 0 HG SER A 46 -9.090 5.907 0.207 1.00 0.00 H new ATOM 651 N LEU A 47 -9.168 7.435 -3.618 1.00 0.00 N ATOM 652 CA LEU A 47 -8.574 6.867 -4.816 1.00 0.00 C ATOM 653 C LEU A 47 -7.425 5.939 -4.419 1.00 0.00 C ATOM 654 O LEU A 47 -7.203 4.911 -5.057 1.00 0.00 O ATOM 655 CB LEU A 47 -8.163 7.974 -5.788 1.00 0.00 C ATOM 656 CG LEU A 47 -7.672 7.513 -7.161 1.00 0.00 C ATOM 657 CD1 LEU A 47 -7.956 8.572 -8.229 1.00 0.00 C ATOM 658 CD2 LEU A 47 -6.192 7.129 -7.114 1.00 0.00 C ATOM 0 H LEU A 47 -9.117 8.452 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.304 6.260 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.015 8.638 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.375 8.565 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.228 6.618 -7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.597 8.219 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.029 8.754 -8.285 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.444 9.498 -7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.869 6.805 -8.103 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.602 7.991 -6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.049 6.317 -6.401 1.00 0.00 H new ATOM 670 N ALA A 48 -6.723 6.334 -3.367 1.00 0.00 N ATOM 671 CA ALA A 48 -5.601 5.551 -2.878 1.00 0.00 C ATOM 672 C ALA A 48 -6.061 4.114 -2.624 1.00 0.00 C ATOM 673 O ALA A 48 -5.415 3.165 -3.065 1.00 0.00 O ATOM 674 CB ALA A 48 -5.028 6.210 -1.621 1.00 0.00 C ATOM 0 H ALA A 48 -6.910 7.187 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.804 5.516 -3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.186 5.623 -1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.690 7.218 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.799 6.259 -0.852 1.00 0.00 H new ATOM 680 N GLU A 49 -7.174 3.998 -1.914 1.00 0.00 N ATOM 681 CA GLU A 49 -7.727 2.693 -1.597 1.00 0.00 C ATOM 682 C GLU A 49 -8.200 1.993 -2.873 1.00 0.00 C ATOM 683 O GLU A 49 -8.326 0.770 -2.903 1.00 0.00 O ATOM 684 CB GLU A 49 -8.866 2.812 -0.582 1.00 0.00 C ATOM 685 CG GLU A 49 -9.790 1.594 -0.649 1.00 0.00 C ATOM 686 CD GLU A 49 -10.824 1.750 -1.765 1.00 0.00 C ATOM 687 OE1 GLU A 49 -11.320 2.887 -1.924 1.00 0.00 O ATOM 688 OE2 GLU A 49 -11.095 0.730 -2.435 1.00 0.00 O ATOM 0 H GLU A 49 -7.708 4.787 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.942 2.088 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.454 2.906 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.439 3.719 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.199 0.694 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.298 1.466 0.307 1.00 0.00 H new ATOM 695 N LYS A 50 -8.450 2.799 -3.894 1.00 0.00 N ATOM 696 CA LYS A 50 -8.907 2.272 -5.169 1.00 0.00 C ATOM 697 C LYS A 50 -7.705 1.757 -5.963 1.00 0.00 C ATOM 698 O LYS A 50 -7.819 0.786 -6.709 1.00 0.00 O ATOM 699 CB LYS A 50 -9.734 3.319 -5.916 1.00 0.00 C ATOM 700 CG LYS A 50 -9.425 3.296 -7.414 1.00 0.00 C ATOM 701 CD LYS A 50 -10.330 4.265 -8.177 1.00 0.00 C ATOM 702 CE LYS A 50 -11.769 3.747 -8.229 1.00 0.00 C ATOM 703 NZ LYS A 50 -12.728 4.873 -8.197 1.00 0.00 N ATOM 0 H LYS A 50 -8.345 3.813 -3.865 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.574 1.424 -5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.796 3.130 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.523 4.309 -5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.381 3.563 -7.577 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.560 2.286 -7.801 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -10.309 5.243 -7.696 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.952 4.400 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.918 3.161 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.953 3.081 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.699 4.503 -8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -12.597 5.416 -7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.563 5.493 -9.016 1.00 0.00 H new ATOM 717 N GLU A 51 -6.579 2.430 -5.775 1.00 0.00 N ATOM 718 CA GLU A 51 -5.357 2.053 -6.464 1.00 0.00 C ATOM 719 C GLU A 51 -4.785 0.767 -5.865 1.00 0.00 C ATOM 720 O GLU A 51 -3.828 0.203 -6.394 1.00 0.00 O ATOM 721 CB GLU A 51 -4.329 3.185 -6.417 1.00 0.00 C ATOM 722 CG GLU A 51 -4.889 4.461 -7.049 1.00 0.00 C ATOM 723 CD GLU A 51 -4.661 4.469 -8.562 1.00 0.00 C ATOM 724 OE1 GLU A 51 -3.475 4.457 -8.957 1.00 0.00 O ATOM 725 OE2 GLU A 51 -5.678 4.487 -9.288 1.00 0.00 O ATOM 0 H GLU A 51 -6.488 3.235 -5.155 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.596 1.868 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.046 3.381 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.424 2.881 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.956 4.538 -6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.412 5.333 -6.601 1.00 0.00 H new ATOM 732 N GLY A 52 -5.395 0.340 -4.769 1.00 0.00 N ATOM 733 CA GLY A 52 -4.958 -0.869 -4.091 1.00 0.00 C ATOM 734 C GLY A 52 -4.232 -0.535 -2.787 1.00 0.00 C ATOM 735 O GLY A 52 -4.087 -1.391 -1.916 1.00 0.00 O ATOM 0 H GLY A 52 -6.189 0.810 -4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.819 -1.503 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.296 -1.438 -4.744 1.00 0.00 H new ATOM 739 N LEU A 53 -3.795 0.713 -2.692 1.00 0.00 N ATOM 740 CA LEU A 53 -3.088 1.171 -1.509 1.00 0.00 C ATOM 741 C LEU A 53 -3.784 0.624 -0.261 1.00 0.00 C ATOM 742 O LEU A 53 -4.933 0.189 -0.327 1.00 0.00 O ATOM 743 CB LEU A 53 -2.954 2.695 -1.521 1.00 0.00 C ATOM 744 CG LEU A 53 -1.604 3.253 -1.064 1.00 0.00 C ATOM 745 CD1 LEU A 53 -0.617 3.322 -2.231 1.00 0.00 C ATOM 746 CD2 LEU A 53 -1.776 4.609 -0.377 1.00 0.00 C ATOM 0 H LEU A 53 -3.917 1.421 -3.416 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.069 0.785 -1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.147 3.049 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.733 3.113 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.183 2.570 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.334 3.722 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.463 2.322 -2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.018 3.971 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.802 4.983 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.228 5.315 -1.074 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.421 4.496 0.495 1.00 0.00 H new ATOM 758 N ARG A 54 -3.060 0.665 0.848 1.00 0.00 N ATOM 759 CA ARG A 54 -3.593 0.179 2.109 1.00 0.00 C ATOM 760 C ARG A 54 -2.521 0.243 3.199 1.00 0.00 C ATOM 761 O ARG A 54 -1.328 0.246 2.901 1.00 0.00 O ATOM 762 CB ARG A 54 -4.092 -1.261 1.978 1.00 0.00 C ATOM 763 CG ARG A 54 -5.456 -1.432 2.650 1.00 0.00 C ATOM 764 CD ARG A 54 -6.477 -2.024 1.676 1.00 0.00 C ATOM 765 NE ARG A 54 -7.564 -2.692 2.426 1.00 0.00 N ATOM 766 CZ ARG A 54 -8.592 -3.330 1.850 1.00 0.00 C ATOM 767 NH1 ARG A 54 -8.680 -3.391 0.515 1.00 0.00 N ATOM 768 NH2 ARG A 54 -9.532 -3.908 2.610 1.00 0.00 N ATOM 0 H ARG A 54 -2.108 1.028 0.899 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.432 0.819 2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.166 -1.530 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -3.371 -1.942 2.431 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.358 -2.082 3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -5.811 -0.467 3.012 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.890 -1.236 1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.988 -2.739 1.014 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.528 -2.665 3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.964 -2.952 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.463 -3.877 0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.465 -3.862 3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.315 -4.394 2.172 1.00 0.00 H new ATOM 782 N VAL A 55 -2.986 0.293 4.439 1.00 0.00 N ATOM 783 CA VAL A 55 -2.082 0.357 5.574 1.00 0.00 C ATOM 784 C VAL A 55 -1.204 -0.897 5.593 1.00 0.00 C ATOM 785 O VAL A 55 -1.708 -2.010 5.734 1.00 0.00 O ATOM 786 CB VAL A 55 -2.878 0.548 6.867 1.00 0.00 C ATOM 787 CG1 VAL A 55 -1.983 0.363 8.094 1.00 0.00 C ATOM 788 CG2 VAL A 55 -3.565 1.914 6.890 1.00 0.00 C ATOM 0 H VAL A 55 -3.977 0.290 4.682 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.419 1.218 5.486 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.653 -0.217 6.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.573 0.504 8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.561 -0.642 8.089 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.176 1.095 8.069 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.124 2.025 7.819 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.813 2.700 6.823 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.248 1.992 6.044 1.00 0.00 H new ATOM 798 N GLY A 56 0.094 -0.673 5.448 1.00 0.00 N ATOM 799 CA GLY A 56 1.047 -1.770 5.446 1.00 0.00 C ATOM 800 C GLY A 56 2.098 -1.582 4.351 1.00 0.00 C ATOM 801 O GLY A 56 3.278 -1.860 4.563 1.00 0.00 O ATOM 0 H GLY A 56 0.508 0.252 5.331 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.537 -1.833 6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.521 -2.713 5.292 1.00 0.00 H new ATOM 805 N ASP A 57 1.633 -1.110 3.203 1.00 0.00 N ATOM 806 CA ASP A 57 2.519 -0.881 2.074 1.00 0.00 C ATOM 807 C ASP A 57 3.726 -0.062 2.537 1.00 0.00 C ATOM 808 O ASP A 57 3.724 0.485 3.639 1.00 0.00 O ATOM 809 CB ASP A 57 1.810 -0.096 0.969 1.00 0.00 C ATOM 810 CG ASP A 57 0.598 -0.798 0.353 1.00 0.00 C ATOM 811 OD1 ASP A 57 0.112 -1.756 0.992 1.00 0.00 O ATOM 812 OD2 ASP A 57 0.186 -0.361 -0.743 1.00 0.00 O ATOM 0 H ASP A 57 0.654 -0.880 3.031 1.00 0.00 H new ATOM 0 HA ASP A 57 2.829 -1.851 1.685 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.488 0.863 1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.528 0.118 0.178 1.00 0.00 H new ATOM 817 N GLN A 58 4.727 -0.002 1.671 1.00 0.00 N ATOM 818 CA GLN A 58 5.937 0.741 1.977 1.00 0.00 C ATOM 819 C GLN A 58 6.285 1.686 0.825 1.00 0.00 C ATOM 820 O GLN A 58 6.606 1.238 -0.275 1.00 0.00 O ATOM 821 CB GLN A 58 7.101 -0.206 2.280 1.00 0.00 C ATOM 822 CG GLN A 58 8.376 0.577 2.600 1.00 0.00 C ATOM 823 CD GLN A 58 9.524 -0.369 2.957 1.00 0.00 C ATOM 824 OE1 GLN A 58 10.597 0.245 3.449 1.00 0.00 O flip ATOM 825 NE2 GLN A 58 9.442 -1.575 2.797 1.00 0.00 N flip ATOM 0 H GLN A 58 4.725 -0.456 0.758 1.00 0.00 H new ATOM 0 HA GLN A 58 5.756 1.339 2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.843 -0.847 3.123 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.276 -0.859 1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.657 1.188 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.190 1.259 3.430 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.589 -1.982 2.414 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.227 -2.177 3.046 1.00 0.00 H new ATOM 834 N ILE A 59 6.210 2.976 1.116 1.00 0.00 N ATOM 835 CA ILE A 59 6.513 3.988 0.118 1.00 0.00 C ATOM 836 C ILE A 59 8.022 4.013 -0.134 1.00 0.00 C ATOM 837 O ILE A 59 8.777 4.580 0.654 1.00 0.00 O ATOM 838 CB ILE A 59 5.937 5.342 0.536 1.00 0.00 C ATOM 839 CG1 ILE A 59 4.448 5.225 0.869 1.00 0.00 C ATOM 840 CG2 ILE A 59 6.203 6.404 -0.532 1.00 0.00 C ATOM 841 CD1 ILE A 59 3.621 4.981 -0.394 1.00 0.00 C ATOM 0 H ILE A 59 5.944 3.344 2.029 1.00 0.00 H new ATOM 0 HA ILE A 59 6.035 3.743 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 59 6.446 5.664 1.444 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.292 4.408 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.109 6.137 1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.783 7.357 -0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.278 6.512 -0.678 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.738 6.101 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.567 4.902 -0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.760 5.812 -1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.946 4.055 -0.869 1.00 0.00 H new ATOM 853 N LEU A 60 8.416 3.392 -1.236 1.00 0.00 N ATOM 854 CA LEU A 60 9.821 3.336 -1.602 1.00 0.00 C ATOM 855 C LEU A 60 10.218 4.647 -2.284 1.00 0.00 C ATOM 856 O LEU A 60 11.174 5.302 -1.869 1.00 0.00 O ATOM 857 CB LEU A 60 10.106 2.093 -2.447 1.00 0.00 C ATOM 858 CG LEU A 60 9.640 0.760 -1.857 1.00 0.00 C ATOM 859 CD1 LEU A 60 9.720 -0.358 -2.898 1.00 0.00 C ATOM 860 CD2 LEU A 60 10.424 0.418 -0.588 1.00 0.00 C ATOM 0 H LEU A 60 7.787 2.923 -1.887 1.00 0.00 H new ATOM 0 HA LEU A 60 10.443 3.237 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.632 2.223 -3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.180 2.035 -2.621 1.00 0.00 H new ATOM 0 HG LEU A 60 8.593 0.860 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.383 -1.294 -2.453 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.083 -0.110 -3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.750 -0.467 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.073 -0.534 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.485 0.343 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.273 1.201 0.155 1.00 0.00 H new ATOM 872 N ARG A 61 9.465 4.991 -3.318 1.00 0.00 N ATOM 873 CA ARG A 61 9.727 6.212 -4.061 1.00 0.00 C ATOM 874 C ARG A 61 8.474 7.090 -4.097 1.00 0.00 C ATOM 875 O ARG A 61 7.374 6.621 -3.810 1.00 0.00 O ATOM 876 CB ARG A 61 10.164 5.901 -5.494 1.00 0.00 C ATOM 877 CG ARG A 61 11.687 5.968 -5.629 1.00 0.00 C ATOM 878 CD ARG A 61 12.120 5.733 -7.078 1.00 0.00 C ATOM 879 NE ARG A 61 13.593 5.818 -7.186 1.00 0.00 N ATOM 880 CZ ARG A 61 14.435 4.884 -6.723 1.00 0.00 C ATOM 881 NH1 ARG A 61 13.954 3.789 -6.118 1.00 0.00 N ATOM 882 NH2 ARG A 61 15.758 5.044 -6.865 1.00 0.00 N ATOM 0 H ARG A 61 8.673 4.446 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 61 10.533 6.743 -3.554 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.813 4.909 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 61 9.703 6.611 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.043 6.942 -5.293 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.146 5.220 -4.983 1.00 0.00 H new ATOM 0 HD2 ARG A 61 11.778 4.754 -7.414 1.00 0.00 H new ATOM 0 HD3 ARG A 61 11.656 6.473 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 61 13.993 6.639 -7.641 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.947 3.667 -6.010 1.00 0.00 H new ATOM 0 HH12 ARG A 61 14.595 3.078 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.124 5.877 -7.326 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.398 4.333 -6.512 1.00 0.00 H new ATOM 896 N VAL A 62 8.684 8.350 -4.451 1.00 0.00 N ATOM 897 CA VAL A 62 7.586 9.298 -4.528 1.00 0.00 C ATOM 898 C VAL A 62 7.810 10.237 -5.715 1.00 0.00 C ATOM 899 O VAL A 62 8.733 11.049 -5.702 1.00 0.00 O ATOM 900 CB VAL A 62 7.441 10.040 -3.197 1.00 0.00 C ATOM 901 CG1 VAL A 62 8.523 11.112 -3.047 1.00 0.00 C ATOM 902 CG2 VAL A 62 6.044 10.648 -3.058 1.00 0.00 C ATOM 0 H VAL A 62 9.598 8.736 -4.687 1.00 0.00 H new ATOM 0 HA VAL A 62 6.644 8.778 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 62 7.573 9.316 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.398 11.624 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.507 10.643 -3.081 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.436 11.833 -3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.967 11.169 -2.104 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.871 11.353 -3.871 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.297 9.856 -3.100 1.00 0.00 H new ATOM 912 N ASN A 63 6.949 10.094 -6.712 1.00 0.00 N ATOM 913 CA ASN A 63 7.042 10.919 -7.904 1.00 0.00 C ATOM 914 C ASN A 63 8.240 10.465 -8.742 1.00 0.00 C ATOM 915 O ASN A 63 8.081 10.071 -9.896 1.00 0.00 O ATOM 916 CB ASN A 63 7.250 12.391 -7.541 1.00 0.00 C ATOM 917 CG ASN A 63 6.904 13.301 -8.721 1.00 0.00 C ATOM 918 OD1 ASN A 63 7.765 13.860 -9.381 1.00 0.00 O ATOM 919 ND2 ASN A 63 5.599 13.418 -8.950 1.00 0.00 N ATOM 0 H ASN A 63 6.184 9.419 -6.719 1.00 0.00 H new ATOM 0 HA ASN A 63 6.111 10.813 -8.460 1.00 0.00 H new ATOM 0 HB2 ASN A 63 6.628 12.649 -6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.286 12.553 -7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.266 14.003 -9.716 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.931 12.923 -8.359 1.00 0.00 H new ATOM 926 N ASP A 64 9.411 10.536 -8.127 1.00 0.00 N ATOM 927 CA ASP A 64 10.635 10.138 -8.801 1.00 0.00 C ATOM 928 C ASP A 64 11.748 9.960 -7.766 1.00 0.00 C ATOM 929 O ASP A 64 12.494 8.983 -7.814 1.00 0.00 O ATOM 930 CB ASP A 64 11.086 11.205 -9.801 1.00 0.00 C ATOM 931 CG ASP A 64 12.004 10.700 -10.916 1.00 0.00 C ATOM 932 OD1 ASP A 64 12.223 9.470 -10.957 1.00 0.00 O ATOM 933 OD2 ASP A 64 12.467 11.555 -11.701 1.00 0.00 O ATOM 0 H ASP A 64 9.538 10.863 -7.169 1.00 0.00 H new ATOM 0 HA ASP A 64 10.439 9.206 -9.332 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.202 11.653 -10.254 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.602 11.996 -9.257 1.00 0.00 H new ATOM 938 N LYS A 65 11.823 10.918 -6.855 1.00 0.00 N ATOM 939 CA LYS A 65 12.832 10.880 -5.810 1.00 0.00 C ATOM 940 C LYS A 65 12.533 9.718 -4.860 1.00 0.00 C ATOM 941 O LYS A 65 11.386 9.287 -4.743 1.00 0.00 O ATOM 942 CB LYS A 65 12.931 12.236 -5.110 1.00 0.00 C ATOM 943 CG LYS A 65 14.334 12.459 -4.541 1.00 0.00 C ATOM 944 CD LYS A 65 15.096 13.505 -5.357 1.00 0.00 C ATOM 945 CE LYS A 65 15.819 14.495 -4.442 1.00 0.00 C ATOM 946 NZ LYS A 65 15.359 15.877 -4.707 1.00 0.00 N ATOM 0 H LYS A 65 11.201 11.726 -6.818 1.00 0.00 H new ATOM 0 HA LYS A 65 13.817 10.697 -6.239 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.690 13.032 -5.815 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.196 12.289 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.262 12.784 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.885 11.519 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.819 13.010 -6.006 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.403 14.042 -6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.634 14.237 -3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.895 14.427 -4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.860 16.536 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.558 16.125 -5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.336 15.942 -4.533 1.00 0.00 H new ATOM 960 N SER A 66 13.583 9.244 -4.207 1.00 0.00 N ATOM 961 CA SER A 66 13.447 8.140 -3.271 1.00 0.00 C ATOM 962 C SER A 66 13.476 8.666 -1.835 1.00 0.00 C ATOM 963 O SER A 66 14.189 9.622 -1.534 1.00 0.00 O ATOM 964 CB SER A 66 14.551 7.102 -3.480 1.00 0.00 C ATOM 965 OG SER A 66 15.835 7.610 -3.126 1.00 0.00 O ATOM 0 H SER A 66 14.532 9.604 -4.307 1.00 0.00 H new ATOM 0 HA SER A 66 12.489 7.652 -3.453 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.334 6.217 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.560 6.788 -4.524 1.00 0.00 H new ATOM 0 HG SER A 66 16.513 6.917 -3.272 1.00 0.00 H new ATOM 971 N LEU A 67 12.692 8.017 -0.985 1.00 0.00 N ATOM 972 CA LEU A 67 12.620 8.407 0.413 1.00 0.00 C ATOM 973 C LEU A 67 13.599 7.558 1.226 1.00 0.00 C ATOM 974 O LEU A 67 13.256 7.067 2.300 1.00 0.00 O ATOM 975 CB LEU A 67 11.177 8.333 0.915 1.00 0.00 C ATOM 976 CG LEU A 67 10.115 8.944 -0.002 1.00 0.00 C ATOM 977 CD1 LEU A 67 8.726 8.391 0.324 1.00 0.00 C ATOM 978 CD2 LEU A 67 10.152 10.472 0.058 1.00 0.00 C ATOM 0 H LEU A 67 12.102 7.224 -1.238 1.00 0.00 H new ATOM 0 HA LEU A 67 12.923 9.447 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.925 7.286 1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.124 8.832 1.882 1.00 0.00 H new ATOM 0 HG LEU A 67 10.344 8.657 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.990 8.841 -0.342 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.724 7.309 0.189 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.473 8.628 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.387 10.881 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.962 10.801 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.133 10.825 -0.260 1.00 0.00 H new ATOM 990 N ALA A 68 14.798 7.411 0.682 1.00 0.00 N ATOM 991 CA ALA A 68 15.829 6.630 1.344 1.00 0.00 C ATOM 992 C ALA A 68 16.006 7.137 2.777 1.00 0.00 C ATOM 993 O ALA A 68 16.760 8.078 3.017 1.00 0.00 O ATOM 994 CB ALA A 68 17.125 6.706 0.535 1.00 0.00 C ATOM 0 H ALA A 68 15.079 7.819 -0.210 1.00 0.00 H new ATOM 0 HA ALA A 68 15.540 5.581 1.399 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.899 6.120 1.031 1.00 0.00 H new ATOM 0 HB2 ALA A 68 16.954 6.308 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 68 17.448 7.745 0.461 1.00 0.00 H new ATOM 1000 N ARG A 69 15.298 6.490 3.691 1.00 0.00 N ATOM 1001 CA ARG A 69 15.367 6.863 5.093 1.00 0.00 C ATOM 1002 C ARG A 69 15.420 8.385 5.236 1.00 0.00 C ATOM 1003 O ARG A 69 16.500 8.971 5.285 1.00 0.00 O ATOM 1004 CB ARG A 69 16.599 6.252 5.766 1.00 0.00 C ATOM 1005 CG ARG A 69 16.207 5.078 6.665 1.00 0.00 C ATOM 1006 CD ARG A 69 17.203 4.911 7.814 1.00 0.00 C ATOM 1007 NE ARG A 69 17.710 3.520 7.846 1.00 0.00 N ATOM 1008 CZ ARG A 69 18.285 2.955 8.916 1.00 0.00 C ATOM 1009 NH1 ARG A 69 18.430 3.657 10.048 1.00 0.00 N ATOM 1010 NH2 ARG A 69 18.714 1.687 8.855 1.00 0.00 N ATOM 0 H ARG A 69 14.674 5.710 3.488 1.00 0.00 H new ATOM 0 HA ARG A 69 14.471 6.479 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 69 17.303 5.913 5.006 1.00 0.00 H new ATOM 0 HB3 ARG A 69 17.110 7.012 6.357 1.00 0.00 H new ATOM 0 HG2 ARG A 69 15.207 5.241 7.067 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.168 4.161 6.076 1.00 0.00 H new ATOM 0 HD2 ARG A 69 18.033 5.607 7.691 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.722 5.153 8.762 1.00 0.00 H new ATOM 0 HE ARG A 69 17.616 2.957 7.001 1.00 0.00 H new ATOM 0 HH11 ARG A 69 18.103 4.622 10.095 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.868 3.227 10.863 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.603 1.152 7.994 1.00 0.00 H new ATOM 0 HH22 ARG A 69 19.152 1.257 9.670 1.00 0.00 H new ATOM 1024 N VAL A 70 14.239 8.983 5.297 1.00 0.00 N ATOM 1025 CA VAL A 70 14.136 10.426 5.433 1.00 0.00 C ATOM 1026 C VAL A 70 13.094 10.760 6.502 1.00 0.00 C ATOM 1027 O VAL A 70 12.148 10.003 6.710 1.00 0.00 O ATOM 1028 CB VAL A 70 13.824 11.058 4.075 1.00 0.00 C ATOM 1029 CG1 VAL A 70 14.939 10.772 3.067 1.00 0.00 C ATOM 1030 CG2 VAL A 70 12.470 10.580 3.546 1.00 0.00 C ATOM 0 H VAL A 70 13.345 8.494 5.255 1.00 0.00 H new ATOM 0 HA VAL A 70 15.086 10.848 5.762 1.00 0.00 H new ATOM 0 HB VAL A 70 13.767 12.138 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.692 11.233 2.111 1.00 0.00 H new ATOM 0 HG12 VAL A 70 15.878 11.184 3.436 1.00 0.00 H new ATOM 0 HG13 VAL A 70 15.043 9.695 2.935 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.272 11.044 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.486 9.496 3.431 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.686 10.859 4.250 1.00 0.00 H new ATOM 1040 N THR A 71 13.304 11.896 7.152 1.00 0.00 N ATOM 1041 CA THR A 71 12.395 12.340 8.195 1.00 0.00 C ATOM 1042 C THR A 71 10.962 12.402 7.662 1.00 0.00 C ATOM 1043 O THR A 71 10.748 12.537 6.458 1.00 0.00 O ATOM 1044 CB THR A 71 12.903 13.682 8.726 1.00 0.00 C ATOM 1045 OG1 THR A 71 12.731 14.577 7.630 1.00 0.00 O ATOM 1046 CG2 THR A 71 14.414 13.680 8.971 1.00 0.00 C ATOM 0 H THR A 71 14.090 12.522 6.976 1.00 0.00 H new ATOM 0 HA THR A 71 12.371 11.634 9.025 1.00 0.00 H new ATOM 0 HB THR A 71 12.384 13.925 9.653 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.034 15.472 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.723 14.655 9.347 1.00 0.00 H new ATOM 0 HG22 THR A 71 14.663 12.913 9.704 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.934 13.470 8.036 1.00 0.00 H new ATOM 1054 N HIS A 72 10.016 12.299 8.585 1.00 0.00 N ATOM 1055 CA HIS A 72 8.610 12.341 8.223 1.00 0.00 C ATOM 1056 C HIS A 72 8.307 13.649 7.490 1.00 0.00 C ATOM 1057 O HIS A 72 7.374 13.716 6.691 1.00 0.00 O ATOM 1058 CB HIS A 72 7.726 12.134 9.455 1.00 0.00 C ATOM 1059 CG HIS A 72 6.390 11.499 9.152 1.00 0.00 C ATOM 1060 ND1 HIS A 72 5.185 12.132 9.401 1.00 0.00 N ATOM 1061 CD2 HIS A 72 6.082 10.282 8.618 1.00 0.00 C ATOM 1062 CE1 HIS A 72 4.203 11.324 9.030 1.00 0.00 C ATOM 1063 NE2 HIS A 72 4.761 10.177 8.546 1.00 0.00 N ATOM 0 H HIS A 72 10.196 12.187 9.583 1.00 0.00 H new ATOM 0 HA HIS A 72 8.382 11.522 7.541 1.00 0.00 H new ATOM 0 HB2 HIS A 72 8.259 11.509 10.172 1.00 0.00 H new ATOM 0 HB3 HIS A 72 7.558 13.098 9.935 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.072 13.063 9.802 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.793 9.531 8.307 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.146 11.536 9.099 1.00 0.00 H new ATOM 1071 N ALA A 73 9.114 14.658 7.787 1.00 0.00 N ATOM 1072 CA ALA A 73 8.944 15.960 7.166 1.00 0.00 C ATOM 1073 C ALA A 73 9.468 15.907 5.730 1.00 0.00 C ATOM 1074 O ALA A 73 8.996 16.645 4.866 1.00 0.00 O ATOM 1075 CB ALA A 73 9.655 17.023 8.007 1.00 0.00 C ATOM 0 H ALA A 73 9.887 14.599 8.450 1.00 0.00 H new ATOM 0 HA ALA A 73 7.889 16.230 7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.528 18.000 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.227 17.040 9.009 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.717 16.787 8.070 1.00 0.00 H new ATOM 1081 N GLU A 74 10.437 15.028 5.519 1.00 0.00 N ATOM 1082 CA GLU A 74 11.030 14.870 4.202 1.00 0.00 C ATOM 1083 C GLU A 74 10.040 14.191 3.253 1.00 0.00 C ATOM 1084 O GLU A 74 9.680 14.753 2.219 1.00 0.00 O ATOM 1085 CB GLU A 74 12.340 14.085 4.281 1.00 0.00 C ATOM 1086 CG GLU A 74 13.519 15.014 4.578 1.00 0.00 C ATOM 1087 CD GLU A 74 14.083 15.613 3.288 1.00 0.00 C ATOM 1088 OE1 GLU A 74 14.418 14.811 2.390 1.00 0.00 O ATOM 1089 OE2 GLU A 74 14.167 16.859 3.230 1.00 0.00 O ATOM 0 H GLU A 74 10.826 14.418 6.238 1.00 0.00 H new ATOM 0 HA GLU A 74 11.261 15.860 3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.266 13.325 5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.512 13.562 3.340 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.197 15.814 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.301 14.461 5.098 1.00 0.00 H new ATOM 1096 N ALA A 75 9.629 12.991 3.637 1.00 0.00 N ATOM 1097 CA ALA A 75 8.689 12.230 2.833 1.00 0.00 C ATOM 1098 C ALA A 75 7.512 13.127 2.445 1.00 0.00 C ATOM 1099 O ALA A 75 7.138 13.196 1.275 1.00 0.00 O ATOM 1100 CB ALA A 75 8.244 10.987 3.607 1.00 0.00 C ATOM 0 H ALA A 75 9.930 12.528 4.494 1.00 0.00 H new ATOM 0 HA ALA A 75 9.161 11.889 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 75 7.538 10.416 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.113 10.368 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.763 11.290 4.537 1.00 0.00 H new ATOM 1106 N VAL A 76 6.960 13.793 3.450 1.00 0.00 N ATOM 1107 CA VAL A 76 5.834 14.683 3.229 1.00 0.00 C ATOM 1108 C VAL A 76 6.225 15.748 2.203 1.00 0.00 C ATOM 1109 O VAL A 76 5.519 15.954 1.216 1.00 0.00 O ATOM 1110 CB VAL A 76 5.367 15.277 4.560 1.00 0.00 C ATOM 1111 CG1 VAL A 76 4.171 16.209 4.355 1.00 0.00 C ATOM 1112 CG2 VAL A 76 5.036 14.173 5.566 1.00 0.00 C ATOM 0 H VAL A 76 7.273 13.733 4.419 1.00 0.00 H new ATOM 0 HA VAL A 76 4.987 14.133 2.819 1.00 0.00 H new ATOM 0 HB VAL A 76 6.186 15.869 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.859 16.617 5.316 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.455 17.024 3.689 1.00 0.00 H new ATOM 0 HG13 VAL A 76 3.346 15.650 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.707 14.622 6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.241 13.543 5.166 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.924 13.567 5.746 1.00 0.00 H new ATOM 1122 N LYS A 77 7.347 16.399 2.471 1.00 0.00 N ATOM 1123 CA LYS A 77 7.841 17.438 1.584 1.00 0.00 C ATOM 1124 C LYS A 77 7.970 16.874 0.167 1.00 0.00 C ATOM 1125 O LYS A 77 7.990 17.627 -0.805 1.00 0.00 O ATOM 1126 CB LYS A 77 9.140 18.036 2.128 1.00 0.00 C ATOM 1127 CG LYS A 77 8.850 19.173 3.110 1.00 0.00 C ATOM 1128 CD LYS A 77 10.148 19.821 3.596 1.00 0.00 C ATOM 1129 CE LYS A 77 9.857 21.032 4.484 1.00 0.00 C ATOM 1130 NZ LYS A 77 10.788 21.067 5.634 1.00 0.00 N ATOM 0 H LYS A 77 7.929 16.227 3.291 1.00 0.00 H new ATOM 0 HA LYS A 77 7.133 18.265 1.536 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.722 17.260 2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.747 18.409 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.223 19.923 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.290 18.788 3.962 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.737 19.091 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.748 20.129 2.740 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.954 21.949 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.828 20.989 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.577 21.895 6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.676 20.200 6.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.766 21.130 5.287 1.00 0.00 H new ATOM 1144 N ALA A 78 8.054 15.554 0.096 1.00 0.00 N ATOM 1145 CA ALA A 78 8.181 14.880 -1.186 1.00 0.00 C ATOM 1146 C ALA A 78 6.787 14.544 -1.720 1.00 0.00 C ATOM 1147 O ALA A 78 6.443 14.914 -2.842 1.00 0.00 O ATOM 1148 CB ALA A 78 9.059 13.638 -1.025 1.00 0.00 C ATOM 0 H ALA A 78 8.037 14.933 0.905 1.00 0.00 H new ATOM 0 HA ALA A 78 8.666 15.529 -1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 78 9.154 13.133 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.047 13.934 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.603 12.961 -0.303 1.00 0.00 H new ATOM 1154 N LEU A 79 6.023 13.847 -0.892 1.00 0.00 N ATOM 1155 CA LEU A 79 4.675 13.457 -1.268 1.00 0.00 C ATOM 1156 C LEU A 79 3.927 14.677 -1.808 1.00 0.00 C ATOM 1157 O LEU A 79 3.687 14.781 -3.010 1.00 0.00 O ATOM 1158 CB LEU A 79 3.969 12.772 -0.096 1.00 0.00 C ATOM 1159 CG LEU A 79 4.273 11.284 0.094 1.00 0.00 C ATOM 1160 CD1 LEU A 79 4.016 10.852 1.539 1.00 0.00 C ATOM 1161 CD2 LEU A 79 3.488 10.433 -0.907 1.00 0.00 C ATOM 0 H LEU A 79 6.312 13.542 0.038 1.00 0.00 H new ATOM 0 HA LEU A 79 4.702 12.719 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.237 13.297 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.893 12.889 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 79 5.332 11.123 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.240 9.791 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.654 11.427 2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.971 11.030 1.791 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.722 9.380 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.420 10.593 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.763 10.719 -1.922 1.00 0.00 H new ATOM 1173 N LYS A 80 3.580 15.571 -0.893 1.00 0.00 N ATOM 1174 CA LYS A 80 2.865 16.780 -1.262 1.00 0.00 C ATOM 1175 C LYS A 80 1.701 16.417 -2.186 1.00 0.00 C ATOM 1176 O LYS A 80 1.346 15.246 -2.313 1.00 0.00 O ATOM 1177 CB LYS A 80 3.826 17.810 -1.859 1.00 0.00 C ATOM 1178 CG LYS A 80 3.908 19.059 -0.978 1.00 0.00 C ATOM 1179 CD LYS A 80 4.730 18.786 0.283 1.00 0.00 C ATOM 1180 CE LYS A 80 4.944 20.070 1.087 1.00 0.00 C ATOM 1181 NZ LYS A 80 6.164 20.771 0.630 1.00 0.00 N ATOM 0 H LYS A 80 3.781 15.482 0.103 1.00 0.00 H new ATOM 0 HA LYS A 80 2.436 17.253 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.817 17.369 -1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.492 18.087 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.359 19.877 -1.541 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.904 19.379 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.220 18.047 0.901 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.695 18.360 0.007 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.079 20.724 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.030 19.832 2.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.690 21.125 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.763 20.111 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.897 21.570 0.020 1.00 0.00 H new ATOM 1195 N GLY A 81 1.138 17.443 -2.808 1.00 0.00 N ATOM 1196 CA GLY A 81 0.022 17.247 -3.717 1.00 0.00 C ATOM 1197 C GLY A 81 0.419 17.584 -5.155 1.00 0.00 C ATOM 1198 O GLY A 81 0.128 18.675 -5.644 1.00 0.00 O ATOM 0 H GLY A 81 1.434 18.413 -2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.318 16.213 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.815 17.874 -3.411 1.00 0.00 H new ATOM 1202 N SER A 82 1.078 16.628 -5.793 1.00 0.00 N ATOM 1203 CA SER A 82 1.519 16.811 -7.166 1.00 0.00 C ATOM 1204 C SER A 82 0.621 16.013 -8.114 1.00 0.00 C ATOM 1205 O SER A 82 0.470 14.802 -7.960 1.00 0.00 O ATOM 1206 CB SER A 82 2.979 16.388 -7.336 1.00 0.00 C ATOM 1207 OG SER A 82 3.167 14.999 -7.076 1.00 0.00 O ATOM 0 H SER A 82 1.317 15.724 -5.385 1.00 0.00 H new ATOM 0 HA SER A 82 1.445 17.870 -7.411 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.306 16.614 -8.351 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.606 16.971 -6.662 1.00 0.00 H new ATOM 0 HG SER A 82 4.112 14.768 -7.197 1.00 0.00 H new ATOM 1213 N LYS A 83 0.049 16.725 -9.074 1.00 0.00 N ATOM 1214 CA LYS A 83 -0.830 16.098 -10.047 1.00 0.00 C ATOM 1215 C LYS A 83 -0.195 14.796 -10.537 1.00 0.00 C ATOM 1216 O LYS A 83 0.910 14.805 -11.079 1.00 0.00 O ATOM 1217 CB LYS A 83 -1.169 17.079 -11.172 1.00 0.00 C ATOM 1218 CG LYS A 83 -2.666 17.396 -11.190 1.00 0.00 C ATOM 1219 CD LYS A 83 -3.005 18.375 -12.316 1.00 0.00 C ATOM 1220 CE LYS A 83 -3.540 19.693 -11.753 1.00 0.00 C ATOM 1221 NZ LYS A 83 -2.893 20.843 -12.423 1.00 0.00 N ATOM 0 H LYS A 83 0.177 17.729 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.782 15.835 -9.587 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.600 17.999 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.872 16.655 -12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.235 16.475 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.963 17.822 -10.231 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.116 18.566 -12.917 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.748 17.930 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.620 19.743 -11.893 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.355 19.739 -10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.267 21.730 -12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.865 20.802 -12.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.091 20.807 -13.443 1.00 0.00 H new ATOM 1235 N LYS A 84 -0.920 13.706 -10.330 1.00 0.00 N ATOM 1236 CA LYS A 84 -0.441 12.399 -10.745 1.00 0.00 C ATOM 1237 C LYS A 84 0.801 12.033 -9.929 1.00 0.00 C ATOM 1238 O LYS A 84 1.877 11.829 -10.488 1.00 0.00 O ATOM 1239 CB LYS A 84 -0.214 12.366 -12.257 1.00 0.00 C ATOM 1240 CG LYS A 84 -0.152 10.926 -12.771 1.00 0.00 C ATOM 1241 CD LYS A 84 0.983 10.753 -13.783 1.00 0.00 C ATOM 1242 CE LYS A 84 0.769 9.502 -14.638 1.00 0.00 C ATOM 1243 NZ LYS A 84 2.040 9.086 -15.273 1.00 0.00 N ATOM 0 H LYS A 84 -1.835 13.702 -9.880 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.193 11.636 -10.542 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.019 12.901 -12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.714 12.883 -12.500 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.005 10.243 -11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.102 10.661 -13.236 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.039 11.632 -14.425 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.935 10.680 -13.258 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.383 8.692 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.021 9.702 -15.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.878 8.236 -15.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.393 9.854 -15.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.744 8.876 -14.536 1.00 0.00 H new ATOM 1257 N LEU A 85 0.610 11.962 -8.620 1.00 0.00 N ATOM 1258 CA LEU A 85 1.701 11.624 -7.721 1.00 0.00 C ATOM 1259 C LEU A 85 1.946 10.115 -7.768 1.00 0.00 C ATOM 1260 O LEU A 85 1.173 9.339 -7.208 1.00 0.00 O ATOM 1261 CB LEU A 85 1.422 12.159 -6.315 1.00 0.00 C ATOM 1262 CG LEU A 85 2.303 11.598 -5.197 1.00 0.00 C ATOM 1263 CD1 LEU A 85 3.684 11.210 -5.731 1.00 0.00 C ATOM 1264 CD2 LEU A 85 2.396 12.580 -4.028 1.00 0.00 C ATOM 0 H LEU A 85 -0.284 12.133 -8.160 1.00 0.00 H new ATOM 0 HA LEU A 85 2.624 12.107 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.536 13.243 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.381 11.951 -6.069 1.00 0.00 H new ATOM 0 HG LEU A 85 1.837 10.689 -4.817 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.291 10.814 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.575 10.450 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.171 12.089 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.028 12.157 -3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.827 13.519 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.399 12.765 -3.628 1.00 0.00 H new ATOM 1276 N VAL A 86 3.025 9.743 -8.441 1.00 0.00 N ATOM 1277 CA VAL A 86 3.381 8.340 -8.568 1.00 0.00 C ATOM 1278 C VAL A 86 3.935 7.837 -7.234 1.00 0.00 C ATOM 1279 O VAL A 86 4.899 8.391 -6.709 1.00 0.00 O ATOM 1280 CB VAL A 86 4.358 8.152 -9.730 1.00 0.00 C ATOM 1281 CG1 VAL A 86 5.005 6.766 -9.684 1.00 0.00 C ATOM 1282 CG2 VAL A 86 3.665 8.388 -11.074 1.00 0.00 C ATOM 0 H VAL A 86 3.664 10.389 -8.904 1.00 0.00 H new ATOM 0 HA VAL A 86 2.500 7.741 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 86 5.148 8.895 -9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.695 6.659 -10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.550 6.650 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.231 6.001 -9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.382 8.248 -11.883 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.845 7.680 -11.190 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.274 9.405 -11.108 1.00 0.00 H new ATOM 1292 N LEU A 87 3.301 6.791 -6.724 1.00 0.00 N ATOM 1293 CA LEU A 87 3.718 6.206 -5.461 1.00 0.00 C ATOM 1294 C LEU A 87 4.226 4.784 -5.705 1.00 0.00 C ATOM 1295 O LEU A 87 3.493 3.939 -6.217 1.00 0.00 O ATOM 1296 CB LEU A 87 2.586 6.287 -4.434 1.00 0.00 C ATOM 1297 CG LEU A 87 1.917 7.654 -4.279 1.00 0.00 C ATOM 1298 CD1 LEU A 87 0.641 7.548 -3.441 1.00 0.00 C ATOM 1299 CD2 LEU A 87 2.895 8.682 -3.706 1.00 0.00 C ATOM 0 H LEU A 87 2.502 6.334 -7.163 1.00 0.00 H new ATOM 0 HA LEU A 87 4.546 6.772 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.822 5.560 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.980 5.986 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 87 1.625 8.005 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.185 8.534 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.059 6.870 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.887 7.165 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.394 9.645 -3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.240 8.349 -2.727 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.749 8.785 -4.376 1.00 0.00 H new ATOM 1311 N SER A 88 5.477 4.564 -5.328 1.00 0.00 N ATOM 1312 CA SER A 88 6.091 3.258 -5.500 1.00 0.00 C ATOM 1313 C SER A 88 6.017 2.468 -4.192 1.00 0.00 C ATOM 1314 O SER A 88 6.824 2.680 -3.288 1.00 0.00 O ATOM 1315 CB SER A 88 7.545 3.390 -5.958 1.00 0.00 C ATOM 1316 OG SER A 88 7.646 3.575 -7.367 1.00 0.00 O ATOM 0 H SER A 88 6.082 5.268 -4.904 1.00 0.00 H new ATOM 0 HA SER A 88 5.541 2.721 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 88 8.011 4.233 -5.447 1.00 0.00 H new ATOM 0 HB3 SER A 88 8.099 2.497 -5.669 1.00 0.00 H new ATOM 0 HG SER A 88 8.589 3.657 -7.619 1.00 0.00 H new ATOM 1322 N VAL A 89 5.041 1.574 -4.132 1.00 0.00 N ATOM 1323 CA VAL A 89 4.850 0.752 -2.950 1.00 0.00 C ATOM 1324 C VAL A 89 5.189 -0.702 -3.285 1.00 0.00 C ATOM 1325 O VAL A 89 4.856 -1.188 -4.365 1.00 0.00 O ATOM 1326 CB VAL A 89 3.428 0.926 -2.415 1.00 0.00 C ATOM 1327 CG1 VAL A 89 3.377 2.006 -1.333 1.00 0.00 C ATOM 1328 CG2 VAL A 89 2.450 1.239 -3.549 1.00 0.00 C ATOM 0 H VAL A 89 4.374 1.401 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 89 5.523 1.068 -2.153 1.00 0.00 H new ATOM 0 HB VAL A 89 3.124 -0.017 -1.961 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.354 2.109 -0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.029 1.724 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.711 2.956 -1.751 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.446 1.358 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.752 2.161 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.454 0.421 -4.269 1.00 0.00 H new ATOM 1338 N TYR A 90 5.847 -1.356 -2.340 1.00 0.00 N ATOM 1339 CA TYR A 90 6.235 -2.745 -2.521 1.00 0.00 C ATOM 1340 C TYR A 90 5.194 -3.688 -1.916 1.00 0.00 C ATOM 1341 O TYR A 90 4.635 -3.406 -0.857 1.00 0.00 O ATOM 1342 CB TYR A 90 7.557 -2.915 -1.771 1.00 0.00 C ATOM 1343 CG TYR A 90 7.845 -4.354 -1.336 1.00 0.00 C ATOM 1344 CD1 TYR A 90 8.180 -5.305 -2.278 1.00 0.00 C ATOM 1345 CD2 TYR A 90 7.770 -4.700 -0.002 1.00 0.00 C ATOM 1346 CE1 TYR A 90 8.451 -6.659 -1.869 1.00 0.00 C ATOM 1347 CE2 TYR A 90 8.041 -6.054 0.407 1.00 0.00 C ATOM 1348 CZ TYR A 90 8.368 -6.966 -0.547 1.00 0.00 C ATOM 1349 OH TYR A 90 8.624 -8.245 -0.161 1.00 0.00 O ATOM 0 H TYR A 90 6.122 -0.950 -1.446 1.00 0.00 H new ATOM 0 HA TYR A 90 6.322 -2.984 -3.581 1.00 0.00 H new ATOM 0 HB2 TYR A 90 8.371 -2.569 -2.408 1.00 0.00 H new ATOM 0 HB3 TYR A 90 7.548 -2.275 -0.889 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.239 -5.034 -3.322 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.508 -3.955 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 90 8.714 -7.413 -2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.986 -6.338 1.447 1.00 0.00 H new ATOM 0 HH TYR A 90 8.528 -8.319 0.812 1.00 0.00 H new ATOM 1359 N SER A 91 4.964 -4.790 -2.615 1.00 0.00 N ATOM 1360 CA SER A 91 3.999 -5.777 -2.160 1.00 0.00 C ATOM 1361 C SER A 91 4.718 -6.914 -1.431 1.00 0.00 C ATOM 1362 O SER A 91 5.656 -7.504 -1.965 1.00 0.00 O ATOM 1363 CB SER A 91 3.183 -6.330 -3.330 1.00 0.00 C ATOM 1364 OG SER A 91 3.865 -7.382 -4.007 1.00 0.00 O ATOM 0 H SER A 91 5.429 -5.021 -3.493 1.00 0.00 H new ATOM 0 HA SER A 91 3.310 -5.289 -1.470 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.225 -6.697 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.968 -5.526 -4.034 1.00 0.00 H new ATOM 0 HG SER A 91 4.275 -7.032 -4.826 1.00 0.00 H new ATOM 1370 N ALA A 92 4.251 -7.188 -0.221 1.00 0.00 N ATOM 1371 CA ALA A 92 4.838 -8.243 0.587 1.00 0.00 C ATOM 1372 C ALA A 92 4.144 -9.569 0.268 1.00 0.00 C ATOM 1373 O ALA A 92 3.169 -9.599 -0.482 1.00 0.00 O ATOM 1374 CB ALA A 92 4.733 -7.871 2.067 1.00 0.00 C ATOM 0 H ALA A 92 3.473 -6.697 0.219 1.00 0.00 H new ATOM 0 HA ALA A 92 5.897 -8.361 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.173 -8.663 2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.266 -6.937 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.684 -7.748 2.338 1.00 0.00 H new ATOM 1380 N GLY A 93 4.674 -10.633 0.853 1.00 0.00 N ATOM 1381 CA GLY A 93 4.117 -11.958 0.641 1.00 0.00 C ATOM 1382 C GLY A 93 2.816 -12.139 1.425 1.00 0.00 C ATOM 1383 O GLY A 93 2.836 -12.584 2.572 1.00 0.00 O ATOM 0 H GLY A 93 5.483 -10.604 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.929 -12.111 -0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.840 -12.714 0.950 1.00 0.00 H new ATOM 1387 N ARG A 94 1.717 -11.786 0.776 1.00 0.00 N ATOM 1388 CA ARG A 94 0.409 -11.904 1.398 1.00 0.00 C ATOM 1389 C ARG A 94 -0.028 -13.369 1.441 1.00 0.00 C ATOM 1390 O ARG A 94 0.370 -14.164 0.591 1.00 0.00 O ATOM 1391 CB ARG A 94 -0.638 -11.087 0.638 1.00 0.00 C ATOM 1392 CG ARG A 94 -0.924 -9.764 1.350 1.00 0.00 C ATOM 1393 CD ARG A 94 -0.148 -8.615 0.703 1.00 0.00 C ATOM 1394 NE ARG A 94 -0.750 -7.318 1.087 1.00 0.00 N ATOM 1395 CZ ARG A 94 -0.505 -6.691 2.246 1.00 0.00 C ATOM 1396 NH1 ARG A 94 0.329 -7.237 3.141 1.00 0.00 N ATOM 1397 NH2 ARG A 94 -1.096 -5.517 2.510 1.00 0.00 N ATOM 0 H ARG A 94 1.705 -11.418 -0.175 1.00 0.00 H new ATOM 0 HA ARG A 94 0.488 -11.516 2.413 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.286 -10.890 -0.375 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.559 -11.663 0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.992 -9.551 1.315 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.650 -9.846 2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.895 -8.648 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.159 -8.723 -0.382 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.391 -6.874 0.429 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.778 -8.131 2.941 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.515 -6.759 4.023 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.732 -5.102 1.829 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.910 -5.039 3.392 1.00 0.00 H new ATOM 1411 N ILE A 95 -0.842 -13.682 2.439 1.00 0.00 N ATOM 1412 CA ILE A 95 -1.338 -15.038 2.603 1.00 0.00 C ATOM 1413 C ILE A 95 -2.862 -15.037 2.477 1.00 0.00 C ATOM 1414 O ILE A 95 -3.561 -14.533 3.355 1.00 0.00 O ATOM 1415 CB ILE A 95 -0.829 -15.639 3.915 1.00 0.00 C ATOM 1416 CG1 ILE A 95 0.700 -15.628 3.967 1.00 0.00 C ATOM 1417 CG2 ILE A 95 -1.401 -17.041 4.133 1.00 0.00 C ATOM 1418 CD1 ILE A 95 1.199 -15.337 5.384 1.00 0.00 C ATOM 0 H ILE A 95 -1.170 -13.020 3.142 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.953 -15.683 1.813 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.182 -15.016 4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.086 -16.591 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.085 -14.874 3.280 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.024 -17.446 5.072 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.489 -16.988 4.172 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.098 -17.689 3.311 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.289 -15.335 5.393 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.832 -14.363 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.832 -16.106 6.064 1.00 0.00 H new ATOM 1430 N SER A 96 -3.334 -15.607 1.378 1.00 0.00 N ATOM 1431 CA SER A 96 -4.763 -15.679 1.126 1.00 0.00 C ATOM 1432 C SER A 96 -5.044 -16.653 -0.020 1.00 0.00 C ATOM 1433 O SER A 96 -4.130 -17.049 -0.741 1.00 0.00 O ATOM 1434 CB SER A 96 -5.335 -14.298 0.800 1.00 0.00 C ATOM 1435 OG SER A 96 -6.442 -13.968 1.634 1.00 0.00 O ATOM 0 H SER A 96 -2.752 -16.024 0.652 1.00 0.00 H new ATOM 0 HA SER A 96 -5.252 -16.041 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 96 -4.555 -13.546 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 96 -5.647 -14.272 -0.244 1.00 0.00 H new ATOM 0 HG SER A 96 -6.777 -13.079 1.396 1.00 0.00 H new ATOM 1441 N GLY A 97 -6.313 -17.011 -0.151 1.00 0.00 N ATOM 1442 CA GLY A 97 -6.726 -17.932 -1.197 1.00 0.00 C ATOM 1443 C GLY A 97 -7.677 -17.251 -2.183 1.00 0.00 C ATOM 1444 O GLY A 97 -8.140 -16.138 -1.937 1.00 0.00 O ATOM 0 H GLY A 97 -7.068 -16.680 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.849 -18.301 -1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -7.217 -18.797 -0.752 1.00 0.00 H new ATOM 1448 N PRO A 98 -7.947 -17.965 -3.308 1.00 0.00 N ATOM 1449 CA PRO A 98 -8.835 -17.442 -4.332 1.00 0.00 C ATOM 1450 C PRO A 98 -10.296 -17.526 -3.887 1.00 0.00 C ATOM 1451 O PRO A 98 -10.621 -18.246 -2.944 1.00 0.00 O ATOM 1452 CB PRO A 98 -8.542 -18.275 -5.570 1.00 0.00 C ATOM 1453 CG PRO A 98 -7.844 -19.530 -5.072 1.00 0.00 C ATOM 1454 CD PRO A 98 -7.417 -19.286 -3.634 1.00 0.00 C ATOM 0 HA PRO A 98 -8.669 -16.383 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -9.461 -18.524 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -7.909 -17.727 -6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.513 -20.388 -5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -6.978 -19.758 -5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.818 -20.049 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -6.332 -19.313 -3.533 1.00 0.00 H new ATOM 1462 N SER A 99 -11.138 -16.779 -4.585 1.00 0.00 N ATOM 1463 CA SER A 99 -12.557 -16.759 -4.274 1.00 0.00 C ATOM 1464 C SER A 99 -13.353 -16.274 -5.487 1.00 0.00 C ATOM 1465 O SER A 99 -12.808 -15.608 -6.366 1.00 0.00 O ATOM 1466 CB SER A 99 -12.843 -15.870 -3.062 1.00 0.00 C ATOM 1467 OG SER A 99 -12.452 -14.519 -3.287 1.00 0.00 O ATOM 0 H SER A 99 -10.864 -16.182 -5.366 1.00 0.00 H new ATOM 0 HA SER A 99 -12.866 -17.775 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 99 -13.907 -15.905 -2.830 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.314 -16.261 -2.193 1.00 0.00 H new ATOM 0 HG SER A 99 -12.653 -13.984 -2.491 1.00 0.00 H new ATOM 1473 N SER A 100 -14.630 -16.627 -5.496 1.00 0.00 N ATOM 1474 CA SER A 100 -15.506 -16.236 -6.587 1.00 0.00 C ATOM 1475 C SER A 100 -15.776 -14.731 -6.528 1.00 0.00 C ATOM 1476 O SER A 100 -16.053 -14.188 -5.460 1.00 0.00 O ATOM 1477 CB SER A 100 -16.823 -17.013 -6.542 1.00 0.00 C ATOM 1478 OG SER A 100 -17.684 -16.546 -5.506 1.00 0.00 O ATOM 0 H SER A 100 -15.079 -17.179 -4.765 1.00 0.00 H new ATOM 0 HA SER A 100 -15.007 -16.473 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 100 -17.330 -16.923 -7.503 1.00 0.00 H new ATOM 0 HB3 SER A 100 -16.614 -18.072 -6.390 1.00 0.00 H new ATOM 0 HG SER A 100 -18.515 -17.066 -5.512 1.00 0.00 H new ATOM 1484 N GLY A 101 -15.686 -14.100 -7.690 1.00 0.00 N ATOM 1485 CA GLY A 101 -15.916 -12.668 -7.784 1.00 0.00 C ATOM 1486 C GLY A 101 -15.100 -12.055 -8.923 1.00 0.00 C ATOM 1487 O GLY A 101 -14.031 -11.491 -8.692 1.00 0.00 O ATOM 0 H GLY A 101 -15.457 -14.554 -8.574 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.976 -12.476 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.648 -12.190 -6.842 1.00 0.00 H new TER 1491 GLY A 101