USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 764 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl -166:sc= -0.0496 (180deg=-0.32) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 34 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.4) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.067) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0205 USER MOD Single : A 72 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.074) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -175:sc= -0.933 (180deg=-1.11) USER MOD Single : A 80 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=-0.16) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0118 K(o=-0.012,f=-1.2) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.836) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 21:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.411 -0.671 24.680 1.00 0.00 N ATOM 2 CA GLY A 1 -6.941 -0.407 23.313 1.00 0.00 C ATOM 3 C GLY A 1 -7.445 -1.489 22.381 1.00 0.00 C ATOM 4 O GLY A 1 -8.377 -1.256 21.607 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.063 0.074 25.317 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.451 -0.680 24.694 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.052 -1.594 24.998 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.295 0.568 22.979 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.852 -0.375 23.293 1.00 0.00 H new ATOM 8 N SER A 2 -6.872 -2.682 22.498 1.00 0.00 N ATOM 9 CA SER A 2 -7.245 -3.893 21.804 1.00 0.00 C ATOM 10 C SER A 2 -7.606 -4.921 22.871 1.00 0.00 C ATOM 11 O SER A 2 -6.738 -5.499 23.535 1.00 0.00 O ATOM 12 CB SER A 2 -6.095 -4.324 20.898 1.00 0.00 C ATOM 13 OG SER A 2 -6.002 -3.428 19.805 1.00 0.00 O ATOM 0 H SER A 2 -6.081 -2.830 23.125 1.00 0.00 H new ATOM 0 HA SER A 2 -8.108 -3.761 21.151 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.159 -4.333 21.457 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.261 -5.339 20.538 1.00 0.00 H new ATOM 0 HG SER A 2 -5.263 -3.700 19.221 1.00 0.00 H new ATOM 19 N SER A 3 -8.909 -5.067 23.068 1.00 0.00 N ATOM 20 CA SER A 3 -9.571 -6.213 23.654 1.00 0.00 C ATOM 21 C SER A 3 -10.873 -6.406 22.860 1.00 0.00 C ATOM 22 O SER A 3 -11.285 -5.488 22.133 1.00 0.00 O ATOM 23 CB SER A 3 -9.789 -5.980 25.157 1.00 0.00 C ATOM 24 OG SER A 3 -10.391 -4.724 25.447 1.00 0.00 O ATOM 0 H SER A 3 -9.571 -4.337 22.804 1.00 0.00 H new ATOM 0 HA SER A 3 -8.978 -7.125 23.591 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.417 -6.777 25.555 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.830 -6.043 25.671 1.00 0.00 H new ATOM 0 HG SER A 3 -10.506 -4.632 26.416 1.00 0.00 H new ATOM 30 N GLY A 4 -11.525 -7.556 23.021 1.00 0.00 N ATOM 31 CA GLY A 4 -12.804 -7.874 22.401 1.00 0.00 C ATOM 32 C GLY A 4 -12.617 -8.724 21.148 1.00 0.00 C ATOM 33 O GLY A 4 -11.511 -8.849 20.610 1.00 0.00 O ATOM 0 H GLY A 4 -11.165 -8.312 23.604 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.433 -8.407 23.114 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.325 -6.952 22.143 1.00 0.00 H new ATOM 37 N SER A 5 -13.709 -9.300 20.652 1.00 0.00 N ATOM 38 CA SER A 5 -13.724 -9.937 19.343 1.00 0.00 C ATOM 39 C SER A 5 -13.799 -8.853 18.261 1.00 0.00 C ATOM 40 O SER A 5 -14.399 -7.794 18.480 1.00 0.00 O ATOM 41 CB SER A 5 -14.915 -10.887 19.244 1.00 0.00 C ATOM 42 OG SER A 5 -14.938 -11.795 20.337 1.00 0.00 O ATOM 0 H SER A 5 -14.602 -9.337 21.144 1.00 0.00 H new ATOM 0 HA SER A 5 -12.813 -10.518 19.200 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.841 -10.313 19.225 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.864 -11.442 18.307 1.00 0.00 H new ATOM 0 HG SER A 5 -15.711 -12.391 20.251 1.00 0.00 H new ATOM 48 N SER A 6 -13.222 -9.140 17.099 1.00 0.00 N ATOM 49 CA SER A 6 -13.176 -8.282 15.927 1.00 0.00 C ATOM 50 C SER A 6 -13.588 -9.161 14.742 1.00 0.00 C ATOM 51 O SER A 6 -12.961 -10.191 14.492 1.00 0.00 O ATOM 52 CB SER A 6 -11.763 -7.689 15.805 1.00 0.00 C ATOM 53 OG SER A 6 -11.533 -6.740 16.838 1.00 0.00 O ATOM 0 H SER A 6 -12.747 -10.030 16.944 1.00 0.00 H new ATOM 0 HA SER A 6 -13.853 -7.430 15.978 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.021 -8.486 15.863 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.644 -7.213 14.832 1.00 0.00 H new ATOM 0 HG SER A 6 -10.629 -6.372 16.749 1.00 0.00 H new ATOM 59 N GLY A 7 -14.708 -8.826 14.102 1.00 0.00 N ATOM 60 CA GLY A 7 -15.364 -9.612 13.070 1.00 0.00 C ATOM 61 C GLY A 7 -14.541 -9.740 11.809 1.00 0.00 C ATOM 62 O GLY A 7 -14.150 -10.851 11.450 1.00 0.00 O ATOM 0 H GLY A 7 -15.202 -7.957 14.302 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.577 -10.607 13.460 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.322 -9.153 12.826 1.00 0.00 H new ATOM 66 N TYR A 8 -14.325 -8.635 11.093 1.00 0.00 N ATOM 67 CA TYR A 8 -13.415 -8.649 9.959 1.00 0.00 C ATOM 68 C TYR A 8 -12.005 -8.914 10.460 1.00 0.00 C ATOM 69 O TYR A 8 -11.661 -8.556 11.593 1.00 0.00 O ATOM 70 CB TYR A 8 -13.493 -7.340 9.153 1.00 0.00 C ATOM 71 CG TYR A 8 -12.884 -6.139 9.821 1.00 0.00 C ATOM 72 CD1 TYR A 8 -11.506 -5.900 9.687 1.00 0.00 C ATOM 73 CD2 TYR A 8 -13.697 -5.284 10.579 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.913 -4.813 10.349 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.119 -4.180 11.235 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.722 -3.947 11.127 1.00 0.00 C ATOM 77 OH TYR A 8 -11.162 -2.886 11.766 1.00 0.00 O ATOM 0 H TYR A 8 -14.764 -7.733 11.279 1.00 0.00 H new ATOM 0 HA TYR A 8 -13.708 -9.447 9.277 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.998 -7.493 8.194 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.540 -7.125 8.940 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.902 -6.553 9.074 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.758 -5.471 10.659 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.850 -4.638 10.266 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.736 -3.513 11.818 1.00 0.00 H new ATOM 0 HH TYR A 8 -11.856 -2.394 12.254 1.00 0.00 H new ATOM 87 N LYS A 9 -11.186 -9.489 9.581 1.00 0.00 N ATOM 88 CA LYS A 9 -9.763 -9.622 9.830 1.00 0.00 C ATOM 89 C LYS A 9 -9.026 -8.735 8.846 1.00 0.00 C ATOM 90 O LYS A 9 -9.488 -8.535 7.716 1.00 0.00 O ATOM 91 CB LYS A 9 -9.334 -11.096 9.813 1.00 0.00 C ATOM 92 CG LYS A 9 -9.212 -11.773 8.438 1.00 0.00 C ATOM 93 CD LYS A 9 -8.827 -13.244 8.661 1.00 0.00 C ATOM 94 CE LYS A 9 -8.302 -13.915 7.385 1.00 0.00 C ATOM 95 NZ LYS A 9 -7.903 -15.312 7.659 1.00 0.00 N ATOM 0 H LYS A 9 -11.492 -9.871 8.686 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.504 -9.281 10.832 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.370 -11.174 10.315 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.050 -11.664 10.408 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.155 -11.705 7.895 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.458 -11.270 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.065 -13.303 9.438 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.696 -13.792 9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.072 -13.896 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -7.450 -13.357 6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.550 -15.750 6.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.153 -15.324 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.725 -15.846 8.007 1.00 0.00 H new ATOM 109 N GLU A 10 -7.921 -8.168 9.307 1.00 0.00 N ATOM 110 CA GLU A 10 -6.925 -7.555 8.451 1.00 0.00 C ATOM 111 C GLU A 10 -6.006 -8.683 7.969 1.00 0.00 C ATOM 112 O GLU A 10 -5.940 -9.762 8.569 1.00 0.00 O ATOM 113 CB GLU A 10 -6.143 -6.520 9.276 1.00 0.00 C ATOM 114 CG GLU A 10 -6.596 -5.104 8.919 1.00 0.00 C ATOM 115 CD GLU A 10 -5.998 -4.059 9.868 1.00 0.00 C ATOM 116 OE1 GLU A 10 -4.791 -4.129 10.199 1.00 0.00 O ATOM 117 OE2 GLU A 10 -6.748 -3.156 10.302 1.00 0.00 O ATOM 0 H GLU A 10 -7.691 -8.122 10.300 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.368 -7.044 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.298 -6.701 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.075 -6.626 9.086 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.302 -4.876 7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.684 -5.050 8.958 1.00 0.00 H new ATOM 124 N LEU A 11 -5.317 -8.446 6.864 1.00 0.00 N ATOM 125 CA LEU A 11 -4.346 -9.329 6.249 1.00 0.00 C ATOM 126 C LEU A 11 -3.089 -8.507 6.010 1.00 0.00 C ATOM 127 O LEU A 11 -3.193 -7.385 5.517 1.00 0.00 O ATOM 128 CB LEU A 11 -4.841 -9.788 4.874 1.00 0.00 C ATOM 129 CG LEU A 11 -6.124 -10.613 4.745 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.021 -11.933 5.507 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.423 -9.890 5.106 1.00 0.00 C ATOM 0 H LEU A 11 -5.430 -7.577 6.342 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.177 -10.194 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.971 -8.894 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.038 -10.369 4.421 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.198 -10.806 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.950 -12.492 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.193 -12.519 5.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.847 -11.730 6.564 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.265 -10.570 4.978 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.379 -9.559 6.143 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.552 -9.026 4.454 1.00 0.00 H new ATOM 143 N ASP A 12 -1.907 -9.059 6.253 1.00 0.00 N ATOM 144 CA ASP A 12 -0.625 -8.457 5.937 1.00 0.00 C ATOM 145 C ASP A 12 -0.113 -9.084 4.646 1.00 0.00 C ATOM 146 O ASP A 12 -0.042 -10.315 4.538 1.00 0.00 O ATOM 147 CB ASP A 12 0.380 -8.640 7.088 1.00 0.00 C ATOM 148 CG ASP A 12 0.211 -9.876 7.974 1.00 0.00 C ATOM 149 OD1 ASP A 12 0.193 -11.014 7.460 1.00 0.00 O ATOM 150 OD2 ASP A 12 0.018 -9.723 9.207 1.00 0.00 O ATOM 0 H ASP A 12 -1.815 -9.975 6.693 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.745 -7.382 5.802 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.382 -8.665 6.660 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.328 -7.758 7.726 1.00 0.00 H new ATOM 155 N VAL A 13 0.212 -8.244 3.663 1.00 0.00 N ATOM 156 CA VAL A 13 0.878 -8.643 2.422 1.00 0.00 C ATOM 157 C VAL A 13 2.121 -7.761 2.225 1.00 0.00 C ATOM 158 O VAL A 13 2.122 -6.590 2.589 1.00 0.00 O ATOM 159 CB VAL A 13 -0.146 -8.584 1.271 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.506 -8.744 -0.098 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.192 -9.698 1.425 1.00 0.00 C ATOM 0 H VAL A 13 0.015 -7.244 3.708 1.00 0.00 H new ATOM 0 HA VAL A 13 1.239 -9.671 2.453 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.611 -7.600 1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.259 -8.695 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.230 -7.944 -0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.013 -9.707 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.907 -9.642 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.695 -10.668 1.408 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.717 -9.576 2.372 1.00 0.00 H new ATOM 171 N HIS A 14 3.210 -8.334 1.707 1.00 0.00 N ATOM 172 CA HIS A 14 4.492 -7.675 1.515 1.00 0.00 C ATOM 173 C HIS A 14 4.910 -7.954 0.081 1.00 0.00 C ATOM 174 O HIS A 14 4.953 -9.126 -0.299 1.00 0.00 O ATOM 175 CB HIS A 14 5.489 -8.224 2.541 1.00 0.00 C ATOM 176 CG HIS A 14 6.722 -7.384 2.717 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.823 -7.363 1.888 1.00 0.00 N ATOM 178 CD2 HIS A 14 6.977 -6.566 3.781 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.734 -6.544 2.439 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.268 -6.056 3.603 1.00 0.00 N ATOM 0 H HIS A 14 3.217 -9.307 1.400 1.00 0.00 H new ATOM 0 HA HIS A 14 4.444 -6.597 1.669 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.987 -8.317 3.504 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.788 -9.228 2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.309 -6.353 4.603 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.698 -6.312 2.011 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.764 -5.430 4.238 1.00 0.00 H new ATOM 188 N LEU A 15 5.207 -6.930 -0.713 1.00 0.00 N ATOM 189 CA LEU A 15 5.511 -7.074 -2.131 1.00 0.00 C ATOM 190 C LEU A 15 6.866 -6.458 -2.455 1.00 0.00 C ATOM 191 O LEU A 15 7.407 -5.686 -1.669 1.00 0.00 O ATOM 192 CB LEU A 15 4.372 -6.455 -2.966 1.00 0.00 C ATOM 193 CG LEU A 15 3.499 -7.526 -3.639 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.313 -7.962 -2.816 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.007 -7.027 -4.999 1.00 0.00 C ATOM 0 H LEU A 15 5.244 -5.965 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 15 5.578 -8.131 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.750 -5.832 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.796 -5.802 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 15 4.142 -8.399 -3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.750 -8.719 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.660 -8.380 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.671 -7.103 -2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.390 -7.794 -5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.418 -6.120 -4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.863 -6.811 -5.638 1.00 0.00 H new ATOM 207 N ARG A 16 7.424 -6.770 -3.628 1.00 0.00 N ATOM 208 CA ARG A 16 8.770 -6.358 -4.024 1.00 0.00 C ATOM 209 C ARG A 16 8.782 -5.787 -5.439 1.00 0.00 C ATOM 210 O ARG A 16 7.857 -6.023 -6.225 1.00 0.00 O ATOM 211 CB ARG A 16 9.798 -7.475 -3.768 1.00 0.00 C ATOM 212 CG ARG A 16 9.437 -8.886 -4.252 1.00 0.00 C ATOM 213 CD ARG A 16 8.504 -9.614 -3.275 1.00 0.00 C ATOM 214 NE ARG A 16 8.551 -11.068 -3.444 1.00 0.00 N ATOM 215 CZ ARG A 16 8.252 -11.967 -2.500 1.00 0.00 C ATOM 216 NH1 ARG A 16 7.894 -11.593 -1.277 1.00 0.00 N ATOM 217 NH2 ARG A 16 8.312 -13.258 -2.791 1.00 0.00 N ATOM 0 H ARG A 16 6.945 -7.324 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 16 9.089 -5.534 -3.386 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.736 -7.185 -4.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.984 -7.523 -2.695 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.958 -8.821 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.349 -9.468 -4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.782 -9.360 -2.252 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.482 -9.266 -3.424 1.00 0.00 H new ATOM 0 HE ARG A 16 8.835 -11.424 -4.357 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.843 -10.602 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.670 -12.297 -0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.584 -13.558 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.086 -13.952 -2.079 1.00 0.00 H new ATOM 231 N ARG A 17 9.812 -5.012 -5.784 1.00 0.00 N ATOM 232 CA ARG A 17 9.899 -4.248 -7.016 1.00 0.00 C ATOM 233 C ARG A 17 11.190 -4.572 -7.774 1.00 0.00 C ATOM 234 O ARG A 17 12.166 -3.812 -7.730 1.00 0.00 O ATOM 235 CB ARG A 17 9.787 -2.757 -6.698 1.00 0.00 C ATOM 236 CG ARG A 17 9.575 -1.963 -7.985 1.00 0.00 C ATOM 237 CD ARG A 17 10.125 -0.546 -7.927 1.00 0.00 C ATOM 238 NE ARG A 17 9.841 0.152 -9.188 1.00 0.00 N ATOM 239 CZ ARG A 17 10.389 1.297 -9.589 1.00 0.00 C ATOM 240 NH1 ARG A 17 11.195 1.992 -8.795 1.00 0.00 N ATOM 241 NH2 ARG A 17 10.108 1.729 -10.806 1.00 0.00 N ATOM 0 H ARG A 17 10.633 -4.900 -5.189 1.00 0.00 H new ATOM 0 HA ARG A 17 9.072 -4.525 -7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.957 -2.584 -6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.691 -2.415 -6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.049 -2.494 -8.811 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.508 -1.920 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.676 -0.006 -7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.200 -0.571 -7.749 1.00 0.00 H new ATOM 0 HE ARG A 17 9.161 -0.280 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.405 1.651 -7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.604 2.867 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.487 1.189 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.512 2.603 -11.143 1.00 0.00 H new ATOM 255 N MET A 18 11.154 -5.633 -8.571 1.00 0.00 N ATOM 256 CA MET A 18 12.218 -5.957 -9.528 1.00 0.00 C ATOM 257 C MET A 18 11.645 -6.479 -10.848 1.00 0.00 C ATOM 258 O MET A 18 12.319 -6.446 -11.873 1.00 0.00 O ATOM 259 CB MET A 18 13.214 -6.946 -8.899 1.00 0.00 C ATOM 260 CG MET A 18 14.548 -6.969 -9.653 1.00 0.00 C ATOM 261 SD MET A 18 15.852 -7.993 -8.913 1.00 0.00 S ATOM 262 CE MET A 18 16.082 -7.187 -7.304 1.00 0.00 C ATOM 0 H MET A 18 10.383 -6.301 -8.576 1.00 0.00 H new ATOM 0 HA MET A 18 12.760 -5.042 -9.766 1.00 0.00 H new ATOM 0 HB2 MET A 18 13.389 -6.672 -7.859 1.00 0.00 H new ATOM 0 HB3 MET A 18 12.781 -7.946 -8.897 1.00 0.00 H new ATOM 0 HG2 MET A 18 14.365 -7.323 -10.667 1.00 0.00 H new ATOM 0 HG3 MET A 18 14.916 -5.946 -9.734 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.006 -7.542 -6.848 1.00 0.00 H new ATOM 0 HE2 MET A 18 16.137 -6.107 -7.443 1.00 0.00 H new ATOM 0 HE3 MET A 18 15.241 -7.427 -6.653 1.00 0.00 H new ATOM 272 N GLU A 19 10.382 -6.903 -10.864 1.00 0.00 N ATOM 273 CA GLU A 19 9.641 -7.226 -12.072 1.00 0.00 C ATOM 274 C GLU A 19 8.915 -5.944 -12.491 1.00 0.00 C ATOM 275 O GLU A 19 9.533 -4.877 -12.577 1.00 0.00 O ATOM 276 CB GLU A 19 8.727 -8.440 -11.795 1.00 0.00 C ATOM 277 CG GLU A 19 9.519 -9.723 -11.496 1.00 0.00 C ATOM 278 CD GLU A 19 10.102 -10.351 -12.765 1.00 0.00 C ATOM 279 OE1 GLU A 19 10.932 -9.707 -13.455 1.00 0.00 O ATOM 280 OE2 GLU A 19 9.705 -11.493 -13.089 1.00 0.00 O ATOM 0 H GLU A 19 9.836 -7.033 -10.012 1.00 0.00 H new ATOM 0 HA GLU A 19 10.270 -7.535 -12.906 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.076 -8.214 -10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.082 -8.609 -12.658 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.327 -9.496 -10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.867 -10.444 -11.002 1.00 0.00 H new ATOM 287 N SER A 20 7.605 -5.999 -12.727 1.00 0.00 N ATOM 288 CA SER A 20 6.798 -4.852 -13.128 1.00 0.00 C ATOM 289 C SER A 20 6.673 -3.795 -12.032 1.00 0.00 C ATOM 290 O SER A 20 6.100 -2.738 -12.281 1.00 0.00 O ATOM 291 CB SER A 20 5.400 -5.346 -13.490 1.00 0.00 C ATOM 292 OG SER A 20 5.467 -6.530 -14.269 1.00 0.00 O ATOM 0 H SER A 20 7.066 -6.861 -12.643 1.00 0.00 H new ATOM 0 HA SER A 20 7.297 -4.383 -13.976 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.830 -5.536 -12.580 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.868 -4.572 -14.043 1.00 0.00 H new ATOM 0 HG SER A 20 4.560 -6.829 -14.488 1.00 0.00 H new ATOM 298 N GLY A 21 7.161 -4.066 -10.819 1.00 0.00 N ATOM 299 CA GLY A 21 6.826 -3.261 -9.665 1.00 0.00 C ATOM 300 C GLY A 21 5.360 -3.458 -9.325 1.00 0.00 C ATOM 301 O GLY A 21 4.536 -2.567 -9.544 1.00 0.00 O ATOM 0 H GLY A 21 7.792 -4.843 -10.621 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.449 -3.544 -8.817 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.025 -2.209 -9.870 1.00 0.00 H new ATOM 305 N PHE A 22 5.093 -4.641 -8.766 1.00 0.00 N ATOM 306 CA PHE A 22 3.827 -5.093 -8.209 1.00 0.00 C ATOM 307 C PHE A 22 2.812 -5.443 -9.312 1.00 0.00 C ATOM 308 O PHE A 22 2.890 -4.972 -10.452 1.00 0.00 O ATOM 309 CB PHE A 22 3.285 -4.083 -7.173 1.00 0.00 C ATOM 310 CG PHE A 22 4.330 -3.253 -6.423 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.409 -3.836 -5.712 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.258 -1.848 -6.525 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.400 -3.019 -5.146 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.233 -1.032 -5.930 1.00 0.00 C ATOM 315 CZ PHE A 22 6.292 -1.622 -5.231 1.00 0.00 C ATOM 0 H PHE A 22 5.814 -5.358 -8.688 1.00 0.00 H new ATOM 0 HA PHE A 22 4.004 -6.023 -7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.608 -3.399 -7.684 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.692 -4.630 -6.440 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.468 -4.909 -5.606 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.442 -1.394 -7.068 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.246 -3.465 -4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.166 0.043 -6.011 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.032 -0.997 -4.753 1.00 0.00 H new ATOM 325 N GLY A 23 1.849 -6.301 -8.967 1.00 0.00 N ATOM 326 CA GLY A 23 0.891 -6.872 -9.909 1.00 0.00 C ATOM 327 C GLY A 23 -0.540 -6.622 -9.462 1.00 0.00 C ATOM 328 O GLY A 23 -1.384 -7.501 -9.608 1.00 0.00 O ATOM 0 H GLY A 23 1.713 -6.622 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.047 -6.438 -10.897 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.063 -7.944 -10.001 1.00 0.00 H new ATOM 332 N PHE A 24 -0.821 -5.460 -8.874 1.00 0.00 N ATOM 333 CA PHE A 24 -2.169 -5.074 -8.490 1.00 0.00 C ATOM 334 C PHE A 24 -2.448 -3.667 -9.007 1.00 0.00 C ATOM 335 O PHE A 24 -1.529 -2.940 -9.401 1.00 0.00 O ATOM 336 CB PHE A 24 -2.339 -5.191 -6.963 1.00 0.00 C ATOM 337 CG PHE A 24 -1.608 -4.141 -6.145 1.00 0.00 C ATOM 338 CD1 PHE A 24 -2.199 -2.879 -5.926 1.00 0.00 C ATOM 339 CD2 PHE A 24 -0.350 -4.425 -5.579 1.00 0.00 C ATOM 340 CE1 PHE A 24 -1.551 -1.909 -5.151 1.00 0.00 C ATOM 341 CE2 PHE A 24 0.299 -3.456 -4.795 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.314 -2.212 -4.569 1.00 0.00 C ATOM 0 H PHE A 24 -0.113 -4.760 -8.652 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.901 -5.746 -8.938 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.402 -5.136 -6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.994 -6.176 -6.650 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.163 -2.658 -6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.115 -5.385 -5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.000 -0.938 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.268 -3.667 -4.367 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.174 -1.482 -3.940 1.00 0.00 H new ATOM 352 N ARG A 25 -3.721 -3.286 -8.985 1.00 0.00 N ATOM 353 CA ARG A 25 -4.231 -1.967 -9.292 1.00 0.00 C ATOM 354 C ARG A 25 -5.017 -1.483 -8.076 1.00 0.00 C ATOM 355 O ARG A 25 -5.356 -2.279 -7.204 1.00 0.00 O ATOM 356 CB ARG A 25 -5.070 -2.097 -10.572 1.00 0.00 C ATOM 357 CG ARG A 25 -5.163 -0.776 -11.340 1.00 0.00 C ATOM 358 CD ARG A 25 -5.306 -1.056 -12.843 1.00 0.00 C ATOM 359 NE ARG A 25 -4.894 0.108 -13.630 1.00 0.00 N ATOM 360 CZ ARG A 25 -3.637 0.545 -13.757 1.00 0.00 C ATOM 361 NH1 ARG A 25 -2.600 -0.184 -13.352 1.00 0.00 N ATOM 362 NH2 ARG A 25 -3.409 1.736 -14.274 1.00 0.00 N ATOM 0 H ARG A 25 -4.466 -3.936 -8.736 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.456 -1.225 -9.484 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.631 -2.859 -11.216 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.073 -2.436 -10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -6.017 -0.198 -10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.273 -0.175 -11.156 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.699 -1.919 -13.116 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.341 -1.309 -13.074 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.623 0.626 -14.120 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.754 -1.101 -12.933 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.651 0.174 -13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.190 2.319 -14.575 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.452 2.074 -14.373 1.00 0.00 H new ATOM 376 N ILE A 26 -5.318 -0.196 -8.003 1.00 0.00 N ATOM 377 CA ILE A 26 -5.947 0.418 -6.840 1.00 0.00 C ATOM 378 C ILE A 26 -7.049 1.305 -7.381 1.00 0.00 C ATOM 379 O ILE A 26 -6.803 2.098 -8.291 1.00 0.00 O ATOM 380 CB ILE A 26 -4.937 1.194 -5.951 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.537 1.393 -6.578 1.00 0.00 C ATOM 382 CG2 ILE A 26 -4.822 0.461 -4.606 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.689 2.435 -5.848 1.00 0.00 C ATOM 0 H ILE A 26 -5.130 0.462 -8.759 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.353 -0.343 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.329 2.204 -5.829 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.008 0.440 -6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.652 1.694 -7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.117 0.988 -3.963 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.799 0.430 -4.124 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.468 -0.556 -4.775 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.720 2.525 -6.339 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.198 3.399 -5.870 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.543 2.125 -4.813 1.00 0.00 H new ATOM 395 N LEU A 27 -8.264 1.089 -6.881 1.00 0.00 N ATOM 396 CA LEU A 27 -9.490 1.734 -7.328 1.00 0.00 C ATOM 397 C LEU A 27 -10.250 2.231 -6.094 1.00 0.00 C ATOM 398 O LEU A 27 -9.775 2.112 -4.960 1.00 0.00 O ATOM 399 CB LEU A 27 -10.345 0.751 -8.159 1.00 0.00 C ATOM 400 CG LEU A 27 -9.651 0.087 -9.363 1.00 0.00 C ATOM 401 CD1 LEU A 27 -10.604 -0.914 -10.023 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.212 1.073 -10.445 1.00 0.00 C ATOM 0 H LEU A 27 -8.424 0.430 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.258 2.581 -7.973 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.703 -0.036 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.223 1.285 -8.523 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.760 -0.393 -8.958 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -10.109 -1.381 -10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.884 -1.681 -9.300 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.499 -0.394 -10.365 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.732 0.530 -11.259 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.083 1.605 -10.828 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.508 1.789 -10.021 1.00 0.00 H new ATOM 414 N GLY A 28 -11.423 2.821 -6.301 1.00 0.00 N ATOM 415 CA GLY A 28 -12.140 3.545 -5.266 1.00 0.00 C ATOM 416 C GLY A 28 -11.433 4.861 -4.951 1.00 0.00 C ATOM 417 O GLY A 28 -10.599 5.323 -5.743 1.00 0.00 O ATOM 0 H GLY A 28 -11.904 2.808 -7.201 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.161 3.742 -5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.205 2.935 -4.365 1.00 0.00 H new ATOM 421 N GLY A 29 -11.762 5.459 -3.801 1.00 0.00 N ATOM 422 CA GLY A 29 -11.072 6.639 -3.295 1.00 0.00 C ATOM 423 C GLY A 29 -11.240 7.894 -4.150 1.00 0.00 C ATOM 424 O GLY A 29 -10.421 8.802 -4.013 1.00 0.00 O ATOM 0 H GLY A 29 -12.517 5.134 -3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.434 6.851 -2.289 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.009 6.413 -3.211 1.00 0.00 H new ATOM 428 N ASP A 30 -12.248 7.953 -5.029 1.00 0.00 N ATOM 429 CA ASP A 30 -12.525 9.147 -5.834 1.00 0.00 C ATOM 430 C ASP A 30 -12.675 10.349 -4.905 1.00 0.00 C ATOM 431 O ASP A 30 -11.869 11.285 -4.954 1.00 0.00 O ATOM 432 CB ASP A 30 -13.779 8.966 -6.704 1.00 0.00 C ATOM 433 CG ASP A 30 -14.285 10.299 -7.276 1.00 0.00 C ATOM 434 OD1 ASP A 30 -13.479 11.091 -7.820 1.00 0.00 O ATOM 435 OD2 ASP A 30 -15.510 10.546 -7.192 1.00 0.00 O ATOM 0 H ASP A 30 -12.890 7.179 -5.201 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.690 9.313 -6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.555 8.282 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -14.568 8.504 -6.110 1.00 0.00 H new ATOM 440 N GLU A 31 -13.657 10.273 -4.007 1.00 0.00 N ATOM 441 CA GLU A 31 -13.887 11.297 -3.000 1.00 0.00 C ATOM 442 C GLU A 31 -13.013 10.985 -1.772 1.00 0.00 C ATOM 443 O GLU A 31 -12.569 9.844 -1.599 1.00 0.00 O ATOM 444 CB GLU A 31 -15.374 11.315 -2.622 1.00 0.00 C ATOM 445 CG GLU A 31 -16.315 11.767 -3.741 1.00 0.00 C ATOM 446 CD GLU A 31 -16.360 13.288 -3.898 1.00 0.00 C ATOM 447 OE1 GLU A 31 -15.536 13.851 -4.657 1.00 0.00 O ATOM 448 OE2 GLU A 31 -17.250 13.925 -3.291 1.00 0.00 O ATOM 0 H GLU A 31 -14.315 9.495 -3.961 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.620 12.280 -3.387 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.666 10.314 -2.303 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.509 11.974 -1.765 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.996 11.318 -4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.320 11.397 -3.536 1.00 0.00 H new ATOM 455 N PRO A 32 -12.764 11.963 -0.890 1.00 0.00 N ATOM 456 CA PRO A 32 -11.964 11.793 0.312 1.00 0.00 C ATOM 457 C PRO A 32 -12.819 11.159 1.405 1.00 0.00 C ATOM 458 O PRO A 32 -13.730 11.791 1.945 1.00 0.00 O ATOM 459 CB PRO A 32 -11.479 13.204 0.653 1.00 0.00 C ATOM 460 CG PRO A 32 -12.564 14.134 0.098 1.00 0.00 C ATOM 461 CD PRO A 32 -13.281 13.318 -0.980 1.00 0.00 C ATOM 0 HA PRO A 32 -11.112 11.124 0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.360 13.332 1.729 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.510 13.410 0.198 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.255 14.444 0.882 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.128 15.042 -0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.360 13.332 -0.823 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.098 13.737 -1.969 1.00 0.00 H new ATOM 469 N GLY A 33 -12.559 9.892 1.712 1.00 0.00 N ATOM 470 CA GLY A 33 -13.217 9.129 2.762 1.00 0.00 C ATOM 471 C GLY A 33 -13.947 7.891 2.245 1.00 0.00 C ATOM 472 O GLY A 33 -14.433 7.091 3.046 1.00 0.00 O ATOM 0 H GLY A 33 -11.854 9.348 1.214 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.474 8.823 3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.930 9.773 3.277 1.00 0.00 H new ATOM 476 N GLN A 34 -14.003 7.707 0.927 1.00 0.00 N ATOM 477 CA GLN A 34 -14.519 6.526 0.265 1.00 0.00 C ATOM 478 C GLN A 34 -13.682 5.283 0.600 1.00 0.00 C ATOM 479 O GLN A 34 -12.537 5.400 1.038 1.00 0.00 O ATOM 480 CB GLN A 34 -14.533 6.817 -1.250 1.00 0.00 C ATOM 481 CG GLN A 34 -15.786 7.568 -1.692 1.00 0.00 C ATOM 482 CD GLN A 34 -17.072 6.753 -1.645 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.630 6.485 -0.584 1.00 0.00 O ATOM 484 NE2 GLN A 34 -17.577 6.352 -2.794 1.00 0.00 N ATOM 0 H GLN A 34 -13.673 8.413 0.269 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.529 6.306 0.612 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.652 7.402 -1.512 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.465 5.877 -1.797 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.907 8.447 -1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.637 7.926 -2.711 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.103 6.582 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.442 5.812 -2.810 1.00 0.00 H new ATOM 493 N PRO A 35 -14.209 4.076 0.343 1.00 0.00 N ATOM 494 CA PRO A 35 -13.426 2.861 0.442 1.00 0.00 C ATOM 495 C PRO A 35 -12.444 2.792 -0.718 1.00 0.00 C ATOM 496 O PRO A 35 -12.806 3.107 -1.855 1.00 0.00 O ATOM 497 CB PRO A 35 -14.433 1.723 0.407 1.00 0.00 C ATOM 498 CG PRO A 35 -15.713 2.302 -0.208 1.00 0.00 C ATOM 499 CD PRO A 35 -15.492 3.817 -0.283 1.00 0.00 C ATOM 0 HA PRO A 35 -12.831 2.813 1.354 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.058 0.890 -0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.622 1.340 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -15.895 1.884 -1.198 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.583 2.064 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.495 4.159 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.290 4.352 0.232 1.00 0.00 H new ATOM 507 N ILE A 36 -11.230 2.334 -0.458 1.00 0.00 N ATOM 508 CA ILE A 36 -10.185 2.070 -1.436 1.00 0.00 C ATOM 509 C ILE A 36 -10.056 0.556 -1.479 1.00 0.00 C ATOM 510 O ILE A 36 -9.560 -0.039 -0.526 1.00 0.00 O ATOM 511 CB ILE A 36 -8.875 2.797 -1.044 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.129 4.317 -1.158 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.699 2.348 -1.936 1.00 0.00 C ATOM 514 CD1 ILE A 36 -7.923 5.202 -0.845 1.00 0.00 C ATOM 0 H ILE A 36 -10.930 2.125 0.494 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.421 2.452 -2.429 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.595 2.545 -0.021 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.469 4.538 -2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.942 4.585 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.793 2.876 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.547 1.274 -1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.925 2.576 -2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.203 6.250 -0.953 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.592 5.018 0.177 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.112 4.970 -1.536 1.00 0.00 H new ATOM 526 N LEU A 37 -10.537 -0.083 -2.547 1.00 0.00 N ATOM 527 CA LEU A 37 -10.322 -1.509 -2.752 1.00 0.00 C ATOM 528 C LEU A 37 -9.182 -1.701 -3.739 1.00 0.00 C ATOM 529 O LEU A 37 -8.965 -0.885 -4.641 1.00 0.00 O ATOM 530 CB LEU A 37 -11.581 -2.261 -3.236 1.00 0.00 C ATOM 531 CG LEU A 37 -12.947 -1.792 -2.707 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.101 -2.630 -3.256 1.00 0.00 C ATOM 533 CD2 LEU A 37 -13.037 -1.773 -1.185 1.00 0.00 C ATOM 0 H LEU A 37 -11.079 0.370 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.071 -1.940 -1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.607 -2.205 -4.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.464 -3.313 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.037 -0.767 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.044 -2.259 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.118 -2.558 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.966 -3.671 -2.964 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -14.027 -1.432 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.865 -2.777 -0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.283 -1.096 -0.784 1.00 0.00 H new ATOM 545 N ILE A 38 -8.525 -2.847 -3.618 1.00 0.00 N ATOM 546 CA ILE A 38 -7.706 -3.436 -4.653 1.00 0.00 C ATOM 547 C ILE A 38 -8.580 -3.499 -5.916 1.00 0.00 C ATOM 548 O ILE A 38 -9.782 -3.793 -5.866 1.00 0.00 O ATOM 549 CB ILE A 38 -7.219 -4.822 -4.174 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.286 -4.730 -2.943 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.537 -5.623 -5.290 1.00 0.00 C ATOM 552 CD1 ILE A 38 -4.883 -4.155 -3.192 1.00 0.00 C ATOM 0 H ILE A 38 -8.553 -3.406 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.810 -2.857 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.121 -5.357 -3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.777 -4.118 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.176 -5.729 -2.522 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.214 -6.588 -4.900 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.240 -5.779 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.671 -5.072 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.324 -4.141 -2.256 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.359 -4.776 -3.918 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.969 -3.139 -3.578 1.00 0.00 H new ATOM 564 N GLY A 39 -7.972 -3.214 -7.059 1.00 0.00 N ATOM 565 CA GLY A 39 -8.612 -3.217 -8.352 1.00 0.00 C ATOM 566 C GLY A 39 -8.661 -4.633 -8.893 1.00 0.00 C ATOM 567 O GLY A 39 -9.185 -5.535 -8.242 1.00 0.00 O ATOM 0 H GLY A 39 -6.984 -2.966 -7.105 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.621 -2.813 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.066 -2.573 -9.041 1.00 0.00 H new ATOM 571 N ALA A 40 -8.107 -4.810 -10.084 1.00 0.00 N ATOM 572 CA ALA A 40 -7.993 -6.059 -10.812 1.00 0.00 C ATOM 573 C ALA A 40 -6.614 -6.633 -10.501 1.00 0.00 C ATOM 574 O ALA A 40 -5.616 -5.937 -10.725 1.00 0.00 O ATOM 575 CB ALA A 40 -8.104 -5.732 -12.296 1.00 0.00 C ATOM 0 H ALA A 40 -7.699 -4.030 -10.599 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.765 -6.777 -10.537 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.022 -6.650 -12.878 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.067 -5.261 -12.494 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.302 -5.050 -12.579 1.00 0.00 H new ATOM 581 N VAL A 41 -6.521 -7.799 -9.861 1.00 0.00 N ATOM 582 CA VAL A 41 -5.213 -8.391 -9.557 1.00 0.00 C ATOM 583 C VAL A 41 -4.691 -8.967 -10.865 1.00 0.00 C ATOM 584 O VAL A 41 -5.382 -9.761 -11.500 1.00 0.00 O ATOM 585 CB VAL A 41 -5.310 -9.441 -8.433 1.00 0.00 C ATOM 586 CG1 VAL A 41 -4.000 -10.219 -8.222 1.00 0.00 C ATOM 587 CG2 VAL A 41 -5.653 -8.731 -7.113 1.00 0.00 C ATOM 0 H VAL A 41 -7.321 -8.347 -9.546 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.518 -7.644 -9.173 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.081 -10.152 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.132 -10.943 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.735 -10.742 -9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.203 -9.524 -7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.724 -9.467 -6.312 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.872 -8.009 -6.875 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.607 -8.213 -7.215 1.00 0.00 H new ATOM 597 N ILE A 42 -3.494 -8.550 -11.275 1.00 0.00 N ATOM 598 CA ILE A 42 -2.833 -9.050 -12.465 1.00 0.00 C ATOM 599 C ILE A 42 -2.521 -10.519 -12.198 1.00 0.00 C ATOM 600 O ILE A 42 -1.623 -10.834 -11.414 1.00 0.00 O ATOM 601 CB ILE A 42 -1.580 -8.226 -12.812 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.854 -6.706 -12.838 1.00 0.00 C ATOM 603 CG2 ILE A 42 -1.008 -8.705 -14.155 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.895 -6.229 -13.856 1.00 0.00 C ATOM 0 H ILE A 42 -2.953 -7.843 -10.777 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.474 -8.956 -13.342 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.846 -8.388 -12.023 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.179 -6.398 -11.844 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.915 -6.191 -13.040 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.121 -8.122 -14.401 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.741 -9.759 -14.081 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.756 -8.574 -14.937 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.005 -5.147 -13.784 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.569 -6.495 -14.862 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.853 -6.705 -13.647 1.00 0.00 H new ATOM 616 N ALA A 43 -3.310 -11.408 -12.799 1.00 0.00 N ATOM 617 CA ALA A 43 -3.082 -12.836 -12.728 1.00 0.00 C ATOM 618 C ALA A 43 -1.746 -13.167 -13.384 1.00 0.00 C ATOM 619 O ALA A 43 -1.309 -12.472 -14.312 1.00 0.00 O ATOM 620 CB ALA A 43 -4.219 -13.571 -13.429 1.00 0.00 C ATOM 0 H ALA A 43 -4.128 -11.148 -13.350 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.052 -13.155 -11.686 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.046 -14.646 -13.375 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.163 -13.331 -12.941 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.262 -13.263 -14.474 1.00 0.00 H new ATOM 626 N MET A 44 -1.151 -14.262 -12.915 1.00 0.00 N ATOM 627 CA MET A 44 0.174 -14.747 -13.275 1.00 0.00 C ATOM 628 C MET A 44 1.210 -13.619 -13.223 1.00 0.00 C ATOM 629 O MET A 44 2.020 -13.457 -14.134 1.00 0.00 O ATOM 630 CB MET A 44 0.119 -15.526 -14.596 1.00 0.00 C ATOM 631 CG MET A 44 -0.881 -16.683 -14.477 1.00 0.00 C ATOM 632 SD MET A 44 -0.712 -17.967 -15.732 1.00 0.00 S ATOM 633 CE MET A 44 -1.207 -17.040 -17.208 1.00 0.00 C ATOM 0 H MET A 44 -1.610 -14.867 -12.234 1.00 0.00 H new ATOM 0 HA MET A 44 0.519 -15.466 -12.532 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.175 -14.861 -15.408 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.108 -15.912 -14.842 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.770 -17.140 -13.494 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.891 -16.277 -14.528 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.158 -17.692 -18.080 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.227 -16.676 -17.084 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.534 -16.194 -17.349 1.00 0.00 H new ATOM 643 N GLY A 45 1.153 -12.801 -12.166 1.00 0.00 N ATOM 644 CA GLY A 45 1.853 -11.534 -12.036 1.00 0.00 C ATOM 645 C GLY A 45 2.319 -11.290 -10.616 1.00 0.00 C ATOM 646 O GLY A 45 2.083 -12.102 -9.723 1.00 0.00 O ATOM 0 H GLY A 45 0.590 -13.021 -11.345 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.712 -11.523 -12.707 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.195 -10.722 -12.347 1.00 0.00 H new ATOM 650 N SER A 46 2.995 -10.176 -10.371 1.00 0.00 N ATOM 651 CA SER A 46 3.802 -9.967 -9.166 1.00 0.00 C ATOM 652 C SER A 46 3.028 -9.805 -7.858 1.00 0.00 C ATOM 653 O SER A 46 3.674 -9.702 -6.812 1.00 0.00 O ATOM 654 CB SER A 46 4.729 -8.764 -9.404 1.00 0.00 C ATOM 655 OG SER A 46 5.308 -8.776 -10.705 1.00 0.00 O ATOM 0 H SER A 46 3.002 -9.379 -11.008 1.00 0.00 H new ATOM 0 HA SER A 46 4.363 -10.889 -9.016 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.165 -7.841 -9.268 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.522 -8.766 -8.656 1.00 0.00 H new ATOM 0 HG SER A 46 5.888 -7.993 -10.812 1.00 0.00 H new ATOM 661 N ALA A 47 1.702 -9.702 -7.901 1.00 0.00 N ATOM 662 CA ALA A 47 0.826 -9.853 -6.742 1.00 0.00 C ATOM 663 C ALA A 47 0.305 -11.285 -6.655 1.00 0.00 C ATOM 664 O ALA A 47 0.489 -11.930 -5.637 1.00 0.00 O ATOM 665 CB ALA A 47 -0.331 -8.859 -6.803 1.00 0.00 C ATOM 0 H ALA A 47 1.194 -9.506 -8.764 1.00 0.00 H new ATOM 0 HA ALA A 47 1.404 -9.640 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.970 -8.990 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.063 -7.843 -6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.913 -9.033 -7.708 1.00 0.00 H new ATOM 671 N ASP A 48 -0.292 -11.777 -7.749 1.00 0.00 N ATOM 672 CA ASP A 48 -0.772 -13.147 -7.916 1.00 0.00 C ATOM 673 C ASP A 48 0.226 -14.191 -7.399 1.00 0.00 C ATOM 674 O ASP A 48 -0.154 -15.047 -6.605 1.00 0.00 O ATOM 675 CB ASP A 48 -1.143 -13.324 -9.390 1.00 0.00 C ATOM 676 CG ASP A 48 -1.171 -14.767 -9.878 1.00 0.00 C ATOM 677 OD1 ASP A 48 -0.086 -15.326 -10.127 1.00 0.00 O ATOM 678 OD2 ASP A 48 -2.268 -15.235 -10.257 1.00 0.00 O ATOM 0 H ASP A 48 -0.459 -11.202 -8.575 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.656 -13.317 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.124 -12.880 -9.558 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.432 -12.764 -9.998 1.00 0.00 H new ATOM 683 N ARG A 49 1.509 -14.075 -7.755 1.00 0.00 N ATOM 684 CA ARG A 49 2.592 -14.932 -7.290 1.00 0.00 C ATOM 685 C ARG A 49 2.776 -14.897 -5.772 1.00 0.00 C ATOM 686 O ARG A 49 3.087 -15.930 -5.180 1.00 0.00 O ATOM 687 CB ARG A 49 3.896 -14.504 -7.984 1.00 0.00 C ATOM 688 CG ARG A 49 4.731 -15.710 -8.418 1.00 0.00 C ATOM 689 CD ARG A 49 6.131 -15.216 -8.781 1.00 0.00 C ATOM 690 NE ARG A 49 6.931 -16.203 -9.520 1.00 0.00 N ATOM 691 CZ ARG A 49 8.158 -16.605 -9.181 1.00 0.00 C ATOM 692 NH1 ARG A 49 8.542 -16.598 -7.913 1.00 0.00 N ATOM 693 NH2 ARG A 49 9.008 -17.008 -10.116 1.00 0.00 N ATOM 0 H ARG A 49 1.829 -13.352 -8.400 1.00 0.00 H new ATOM 0 HA ARG A 49 2.332 -15.959 -7.547 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.660 -13.893 -8.855 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.481 -13.882 -7.307 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.784 -16.445 -7.615 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.269 -16.205 -9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.043 -14.310 -9.381 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.659 -14.944 -7.867 1.00 0.00 H new ATOM 0 HE ARG A 49 6.516 -16.613 -10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.898 -16.284 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 49 9.481 -16.907 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.725 -17.011 -11.096 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.945 -17.315 -9.855 1.00 0.00 H new ATOM 707 N ASP A 50 2.618 -13.727 -5.143 1.00 0.00 N ATOM 708 CA ASP A 50 2.658 -13.596 -3.683 1.00 0.00 C ATOM 709 C ASP A 50 1.544 -14.410 -3.035 1.00 0.00 C ATOM 710 O ASP A 50 1.765 -15.024 -1.994 1.00 0.00 O ATOM 711 CB ASP A 50 2.547 -12.143 -3.221 1.00 0.00 C ATOM 712 CG ASP A 50 2.910 -12.032 -1.740 1.00 0.00 C ATOM 713 OD1 ASP A 50 4.122 -12.020 -1.431 1.00 0.00 O ATOM 714 OD2 ASP A 50 2.004 -11.913 -0.883 1.00 0.00 O ATOM 0 H ASP A 50 2.459 -12.846 -5.631 1.00 0.00 H new ATOM 0 HA ASP A 50 3.629 -13.978 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.210 -11.513 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.533 -11.779 -3.383 1.00 0.00 H new ATOM 719 N GLY A 51 0.395 -14.528 -3.703 1.00 0.00 N ATOM 720 CA GLY A 51 -0.583 -15.566 -3.432 1.00 0.00 C ATOM 721 C GLY A 51 -1.468 -15.234 -2.239 1.00 0.00 C ATOM 722 O GLY A 51 -1.894 -16.154 -1.534 1.00 0.00 O ATOM 0 H GLY A 51 0.121 -13.895 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.207 -15.712 -4.314 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.067 -16.508 -3.247 1.00 0.00 H new ATOM 726 N ARG A 52 -1.753 -13.955 -1.980 1.00 0.00 N ATOM 727 CA ARG A 52 -2.616 -13.539 -0.869 1.00 0.00 C ATOM 728 C ARG A 52 -3.676 -12.533 -1.307 1.00 0.00 C ATOM 729 O ARG A 52 -4.846 -12.690 -0.969 1.00 0.00 O ATOM 730 CB ARG A 52 -1.744 -12.999 0.271 1.00 0.00 C ATOM 731 CG ARG A 52 -0.890 -14.104 0.916 1.00 0.00 C ATOM 732 CD ARG A 52 -0.263 -13.664 2.243 1.00 0.00 C ATOM 733 NE ARG A 52 1.181 -13.416 2.116 1.00 0.00 N ATOM 734 CZ ARG A 52 2.164 -14.254 2.466 1.00 0.00 C ATOM 735 NH1 ARG A 52 1.918 -15.517 2.805 1.00 0.00 N ATOM 736 NH2 ARG A 52 3.413 -13.815 2.479 1.00 0.00 N ATOM 0 H ARG A 52 -1.392 -13.178 -2.534 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.168 -14.408 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.092 -12.214 -0.112 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.380 -12.543 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.509 -14.985 1.085 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.100 -14.398 0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.757 -12.758 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.434 -14.433 2.997 1.00 0.00 H new ATOM 0 HE ARG A 52 1.461 -12.517 1.723 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.960 -15.869 2.802 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.687 -16.134 3.067 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.617 -12.849 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.172 -14.443 2.744 1.00 0.00 H new ATOM 750 N LEU A 53 -3.302 -11.516 -2.083 1.00 0.00 N ATOM 751 CA LEU A 53 -4.239 -10.521 -2.600 1.00 0.00 C ATOM 752 C LEU A 53 -5.290 -11.193 -3.480 1.00 0.00 C ATOM 753 O LEU A 53 -4.958 -12.096 -4.259 1.00 0.00 O ATOM 754 CB LEU A 53 -3.483 -9.475 -3.437 1.00 0.00 C ATOM 755 CG LEU A 53 -2.803 -8.402 -2.574 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.762 -7.646 -3.402 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.836 -7.414 -2.037 1.00 0.00 C ATOM 0 H LEU A 53 -2.336 -11.359 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.728 -10.035 -1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.730 -9.977 -4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.179 -8.995 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.313 -8.896 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.285 -6.887 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.008 -8.345 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.250 -7.167 -4.251 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.337 -6.661 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.343 -6.928 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.567 -7.947 -1.429 1.00 0.00 H new ATOM 769 N HIS A 54 -6.517 -10.684 -3.439 1.00 0.00 N ATOM 770 CA HIS A 54 -7.541 -10.905 -4.448 1.00 0.00 C ATOM 771 C HIS A 54 -8.165 -9.555 -4.817 1.00 0.00 C ATOM 772 O HIS A 54 -8.019 -8.567 -4.089 1.00 0.00 O ATOM 773 CB HIS A 54 -8.579 -11.934 -3.959 1.00 0.00 C ATOM 774 CG HIS A 54 -8.162 -13.377 -4.138 1.00 0.00 C ATOM 775 ND1 HIS A 54 -8.470 -14.418 -3.291 1.00 0.00 N ATOM 776 CD2 HIS A 54 -7.492 -13.909 -5.210 1.00 0.00 C ATOM 777 CE1 HIS A 54 -8.011 -15.553 -3.842 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.354 -15.285 -4.988 1.00 0.00 N ATOM 0 H HIS A 54 -6.834 -10.086 -2.676 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.100 -11.332 -5.349 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.780 -11.755 -2.903 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.515 -11.770 -4.494 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.135 -13.364 -6.071 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -8.149 -16.540 -3.426 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.855 -15.952 -5.577 1.00 0.00 H new ATOM 786 N PRO A 55 -8.797 -9.472 -5.998 1.00 0.00 N ATOM 787 CA PRO A 55 -9.409 -8.238 -6.465 1.00 0.00 C ATOM 788 C PRO A 55 -10.576 -7.851 -5.552 1.00 0.00 C ATOM 789 O PRO A 55 -11.280 -8.726 -5.032 1.00 0.00 O ATOM 790 CB PRO A 55 -9.809 -8.502 -7.923 1.00 0.00 C ATOM 791 CG PRO A 55 -9.834 -10.023 -8.052 1.00 0.00 C ATOM 792 CD PRO A 55 -8.850 -10.515 -7.013 1.00 0.00 C ATOM 0 HA PRO A 55 -8.737 -7.381 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.784 -8.070 -8.150 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.094 -8.058 -8.616 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.833 -10.419 -7.870 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.543 -10.340 -9.054 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.174 -11.463 -6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.867 -10.684 -7.453 1.00 0.00 H new ATOM 800 N GLY A 56 -10.774 -6.541 -5.368 1.00 0.00 N ATOM 801 CA GLY A 56 -11.830 -6.016 -4.510 1.00 0.00 C ATOM 802 C GLY A 56 -11.524 -6.153 -3.016 1.00 0.00 C ATOM 803 O GLY A 56 -12.409 -5.890 -2.204 1.00 0.00 O ATOM 0 H GLY A 56 -10.205 -5.820 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.990 -4.964 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.761 -6.537 -4.732 1.00 0.00 H new ATOM 807 N ASP A 57 -10.328 -6.590 -2.615 1.00 0.00 N ATOM 808 CA ASP A 57 -9.920 -6.642 -1.208 1.00 0.00 C ATOM 809 C ASP A 57 -9.745 -5.211 -0.728 1.00 0.00 C ATOM 810 O ASP A 57 -9.086 -4.432 -1.412 1.00 0.00 O ATOM 811 CB ASP A 57 -8.658 -7.506 -1.011 1.00 0.00 C ATOM 812 CG ASP A 57 -8.927 -9.015 -1.176 1.00 0.00 C ATOM 813 OD1 ASP A 57 -10.042 -9.379 -1.633 1.00 0.00 O ATOM 814 OD2 ASP A 57 -8.065 -9.844 -0.806 1.00 0.00 O ATOM 0 H ASP A 57 -9.611 -6.920 -3.261 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.686 -7.129 -0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.898 -7.198 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.250 -7.322 -0.017 1.00 0.00 H new ATOM 819 N GLU A 58 -10.401 -4.821 0.368 1.00 0.00 N ATOM 820 CA GLU A 58 -10.352 -3.434 0.798 1.00 0.00 C ATOM 821 C GLU A 58 -8.988 -3.140 1.400 1.00 0.00 C ATOM 822 O GLU A 58 -8.575 -3.828 2.327 1.00 0.00 O ATOM 823 CB GLU A 58 -11.467 -3.094 1.782 1.00 0.00 C ATOM 824 CG GLU A 58 -11.527 -1.558 1.862 1.00 0.00 C ATOM 825 CD GLU A 58 -12.802 -0.997 2.475 1.00 0.00 C ATOM 826 OE1 GLU A 58 -13.909 -1.236 1.927 1.00 0.00 O ATOM 827 OE2 GLU A 58 -12.674 -0.311 3.506 1.00 0.00 O ATOM 0 H GLU A 58 -10.960 -5.437 0.959 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.508 -2.802 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.420 -3.502 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.264 -3.526 2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.676 -1.206 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.415 -1.152 0.857 1.00 0.00 H new ATOM 834 N LEU A 59 -8.299 -2.127 0.884 1.00 0.00 N ATOM 835 CA LEU A 59 -7.019 -1.670 1.406 1.00 0.00 C ATOM 836 C LEU A 59 -7.242 -0.797 2.638 1.00 0.00 C ATOM 837 O LEU A 59 -8.255 -0.095 2.741 1.00 0.00 O ATOM 838 CB LEU A 59 -6.227 -0.902 0.327 1.00 0.00 C ATOM 839 CG LEU A 59 -5.108 -1.743 -0.319 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.404 -0.948 -1.412 1.00 0.00 C ATOM 841 CD2 LEU A 59 -4.020 -2.147 0.681 1.00 0.00 C ATOM 0 H LEU A 59 -8.622 -1.592 0.077 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.429 -2.540 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.915 -0.566 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.790 -0.009 0.773 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.602 -2.632 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.617 -1.558 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.125 -0.669 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.966 -0.048 -0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.258 -2.737 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.563 -1.252 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.463 -2.740 1.481 1.00 0.00 H new ATOM 853 N VAL A 60 -6.257 -0.816 3.534 1.00 0.00 N ATOM 854 CA VAL A 60 -6.223 -0.081 4.793 1.00 0.00 C ATOM 855 C VAL A 60 -4.882 0.652 4.910 1.00 0.00 C ATOM 856 O VAL A 60 -4.872 1.848 5.210 1.00 0.00 O ATOM 857 CB VAL A 60 -6.439 -1.029 5.996 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.873 -0.228 7.231 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.474 -2.135 5.761 1.00 0.00 C ATOM 0 H VAL A 60 -5.416 -1.376 3.391 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.034 0.647 4.804 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.475 -1.516 6.145 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.022 -0.907 8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.100 0.498 7.484 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.806 0.294 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.559 -2.750 6.657 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.441 -1.686 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -7.159 -2.756 4.923 1.00 0.00 H new ATOM 869 N TYR A 61 -3.765 -0.029 4.621 1.00 0.00 N ATOM 870 CA TYR A 61 -2.421 0.535 4.687 1.00 0.00 C ATOM 871 C TYR A 61 -1.664 0.243 3.401 1.00 0.00 C ATOM 872 O TYR A 61 -1.840 -0.828 2.817 1.00 0.00 O ATOM 873 CB TYR A 61 -1.633 -0.031 5.873 1.00 0.00 C ATOM 874 CG TYR A 61 -2.199 0.293 7.235 1.00 0.00 C ATOM 875 CD1 TYR A 61 -3.177 -0.521 7.832 1.00 0.00 C ATOM 876 CD2 TYR A 61 -1.721 1.422 7.915 1.00 0.00 C ATOM 877 CE1 TYR A 61 -3.681 -0.203 9.100 1.00 0.00 C ATOM 878 CE2 TYR A 61 -2.220 1.748 9.186 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.205 0.935 9.785 1.00 0.00 C ATOM 880 OH TYR A 61 -3.725 1.285 10.995 1.00 0.00 O ATOM 0 H TYR A 61 -3.777 -1.006 4.330 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.524 1.612 4.820 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.579 -1.115 5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.611 0.346 5.823 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.541 -1.394 7.312 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.965 2.044 7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.435 -0.830 9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.850 2.620 9.705 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.278 2.094 11.321 1.00 0.00 H new ATOM 890 N VAL A 62 -0.810 1.180 2.996 1.00 0.00 N ATOM 891 CA VAL A 62 0.070 1.088 1.843 1.00 0.00 C ATOM 892 C VAL A 62 1.410 1.686 2.253 1.00 0.00 C ATOM 893 O VAL A 62 1.474 2.789 2.791 1.00 0.00 O ATOM 894 CB VAL A 62 -0.544 1.812 0.631 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.433 1.881 -0.551 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.816 1.082 0.169 1.00 0.00 C ATOM 0 H VAL A 62 -0.711 2.067 3.491 1.00 0.00 H new ATOM 0 HA VAL A 62 0.210 0.052 1.535 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.779 2.827 0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.040 2.400 -1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.331 2.421 -0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.704 0.871 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.243 1.602 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.566 0.059 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.542 1.066 0.982 1.00 0.00 H new ATOM 906 N ASP A 63 2.477 0.938 1.999 1.00 0.00 N ATOM 907 CA ASP A 63 3.855 1.171 2.425 1.00 0.00 C ATOM 908 C ASP A 63 3.993 1.384 3.941 1.00 0.00 C ATOM 909 O ASP A 63 5.004 1.876 4.437 1.00 0.00 O ATOM 910 CB ASP A 63 4.512 2.248 1.545 1.00 0.00 C ATOM 911 CG ASP A 63 6.008 1.992 1.353 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.365 0.807 1.151 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.794 2.964 1.273 1.00 0.00 O ATOM 0 H ASP A 63 2.396 0.085 1.446 1.00 0.00 H new ATOM 0 HA ASP A 63 4.428 0.258 2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.020 2.272 0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.367 3.228 2.000 1.00 0.00 H new ATOM 918 N GLY A 64 2.973 0.974 4.702 1.00 0.00 N ATOM 919 CA GLY A 64 2.840 1.103 6.142 1.00 0.00 C ATOM 920 C GLY A 64 1.973 2.295 6.554 1.00 0.00 C ATOM 921 O GLY A 64 1.600 2.380 7.724 1.00 0.00 O ATOM 0 H GLY A 64 2.164 0.510 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.407 0.188 6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.830 1.209 6.585 1.00 0.00 H new ATOM 925 N ILE A 65 1.629 3.204 5.638 1.00 0.00 N ATOM 926 CA ILE A 65 0.848 4.406 5.882 1.00 0.00 C ATOM 927 C ILE A 65 -0.634 4.075 5.683 1.00 0.00 C ATOM 928 O ILE A 65 -1.002 3.453 4.687 1.00 0.00 O ATOM 929 CB ILE A 65 1.299 5.507 4.892 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.773 5.925 5.077 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.452 6.781 5.071 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.848 4.970 4.555 1.00 0.00 C ATOM 0 H ILE A 65 1.904 3.111 4.660 1.00 0.00 H new ATOM 0 HA ILE A 65 0.999 4.766 6.900 1.00 0.00 H new ATOM 0 HB ILE A 65 1.170 5.070 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.913 6.889 4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.948 6.079 6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.786 7.542 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.597 6.550 4.886 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.567 7.154 6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.834 5.390 4.752 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.756 4.008 5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.721 4.831 3.481 1.00 0.00 H new ATOM 944 N PRO A 66 -1.511 4.482 6.610 1.00 0.00 N ATOM 945 CA PRO A 66 -2.940 4.264 6.491 1.00 0.00 C ATOM 946 C PRO A 66 -3.506 5.164 5.393 1.00 0.00 C ATOM 947 O PRO A 66 -3.501 6.393 5.521 1.00 0.00 O ATOM 948 CB PRO A 66 -3.538 4.571 7.863 1.00 0.00 C ATOM 949 CG PRO A 66 -2.466 5.388 8.587 1.00 0.00 C ATOM 950 CD PRO A 66 -1.170 5.155 7.846 1.00 0.00 C ATOM 0 HA PRO A 66 -3.183 3.240 6.206 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.468 5.132 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.771 3.655 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.724 6.447 8.592 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.378 5.076 9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.664 6.099 7.645 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.488 4.548 8.441 1.00 0.00 H new ATOM 958 N VAL A 67 -4.044 4.564 4.334 1.00 0.00 N ATOM 959 CA VAL A 67 -4.741 5.285 3.267 1.00 0.00 C ATOM 960 C VAL A 67 -6.129 5.768 3.722 1.00 0.00 C ATOM 961 O VAL A 67 -6.791 6.517 3.004 1.00 0.00 O ATOM 962 CB VAL A 67 -4.803 4.415 1.991 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.380 4.090 1.507 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.570 3.090 2.137 1.00 0.00 C ATOM 0 H VAL A 67 -4.009 3.555 4.189 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.175 6.185 3.026 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.356 5.020 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.433 3.477 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.851 5.017 1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.846 3.546 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.555 2.555 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.097 2.479 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.602 3.296 2.421 1.00 0.00 H new ATOM 974 N ALA A 68 -6.569 5.357 4.915 1.00 0.00 N ATOM 975 CA ALA A 68 -7.911 5.561 5.427 1.00 0.00 C ATOM 976 C ALA A 68 -8.241 7.052 5.524 1.00 0.00 C ATOM 977 O ALA A 68 -7.625 7.780 6.305 1.00 0.00 O ATOM 978 CB ALA A 68 -8.025 4.861 6.782 1.00 0.00 C ATOM 0 H ALA A 68 -5.970 4.854 5.570 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.640 5.129 4.742 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.029 5.004 7.182 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.832 3.795 6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.295 5.284 7.473 1.00 0.00 H new ATOM 984 N GLY A 69 -9.205 7.513 4.729 1.00 0.00 N ATOM 985 CA GLY A 69 -9.675 8.892 4.683 1.00 0.00 C ATOM 986 C GLY A 69 -9.141 9.664 3.482 1.00 0.00 C ATOM 987 O GLY A 69 -9.646 10.746 3.177 1.00 0.00 O ATOM 0 H GLY A 69 -9.699 6.908 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.765 8.898 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.376 9.403 5.598 1.00 0.00 H new ATOM 991 N LYS A 70 -8.114 9.147 2.807 1.00 0.00 N ATOM 992 CA LYS A 70 -7.397 9.827 1.739 1.00 0.00 C ATOM 993 C LYS A 70 -7.964 9.441 0.383 1.00 0.00 C ATOM 994 O LYS A 70 -8.805 8.547 0.282 1.00 0.00 O ATOM 995 CB LYS A 70 -5.913 9.467 1.844 1.00 0.00 C ATOM 996 CG LYS A 70 -5.350 9.657 3.263 1.00 0.00 C ATOM 997 CD LYS A 70 -5.411 11.127 3.691 1.00 0.00 C ATOM 998 CE LYS A 70 -4.699 11.319 5.027 1.00 0.00 C ATOM 999 NZ LYS A 70 -4.788 12.720 5.478 1.00 0.00 N ATOM 0 H LYS A 70 -7.750 8.213 2.998 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.514 10.906 1.840 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.773 8.430 1.539 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.345 10.083 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.916 9.047 3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.318 9.308 3.297 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.946 11.754 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.450 11.445 3.776 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.142 10.663 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.652 11.031 4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.296 12.824 6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.344 13.341 4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.787 12.985 5.592 1.00 0.00 H new ATOM 1013 N THR A 71 -7.536 10.131 -0.661 1.00 0.00 N ATOM 1014 CA THR A 71 -8.016 9.919 -2.020 1.00 0.00 C ATOM 1015 C THR A 71 -7.230 8.797 -2.713 1.00 0.00 C ATOM 1016 O THR A 71 -6.182 8.367 -2.226 1.00 0.00 O ATOM 1017 CB THR A 71 -7.895 11.256 -2.766 1.00 0.00 C ATOM 1018 OG1 THR A 71 -6.560 11.729 -2.673 1.00 0.00 O ATOM 1019 CG2 THR A 71 -8.843 12.300 -2.160 1.00 0.00 C ATOM 0 H THR A 71 -6.833 10.867 -0.589 1.00 0.00 H new ATOM 0 HA THR A 71 -9.057 9.596 -2.015 1.00 0.00 H new ATOM 0 HB THR A 71 -8.164 11.098 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.481 12.581 -3.150 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.743 13.240 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.871 11.945 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.589 12.457 -1.112 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.684 8.388 -3.901 1.00 0.00 N ATOM 1028 CA HIS A 72 -6.953 7.560 -4.856 1.00 0.00 C ATOM 1029 C HIS A 72 -5.541 8.116 -5.010 1.00 0.00 C ATOM 1030 O HIS A 72 -4.561 7.410 -4.775 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.720 7.556 -6.193 1.00 0.00 C ATOM 1032 CG HIS A 72 -7.003 6.930 -7.371 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.248 7.605 -8.308 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -7.065 5.619 -7.769 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -5.873 6.719 -9.243 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -6.347 5.495 -8.963 1.00 0.00 N ATOM 0 H HIS A 72 -8.614 8.638 -4.236 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.873 6.530 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.663 7.029 -6.046 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.967 8.586 -6.450 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.578 4.822 -7.251 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.270 6.959 -10.106 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -6.211 4.645 -9.511 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.431 9.409 -5.338 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.155 10.054 -5.594 1.00 0.00 C ATOM 1046 C ARG A 73 -3.176 9.907 -4.430 1.00 0.00 C ATOM 1047 O ARG A 73 -1.985 9.753 -4.670 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.368 11.522 -5.931 1.00 0.00 C ATOM 1049 CG ARG A 73 -2.996 12.089 -6.306 1.00 0.00 C ATOM 1050 CD ARG A 73 -3.121 13.280 -7.230 1.00 0.00 C ATOM 1051 NE ARG A 73 -3.462 14.485 -6.457 1.00 0.00 N ATOM 1052 CZ ARG A 73 -4.668 14.947 -6.113 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -5.780 14.504 -6.679 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -4.733 15.862 -5.154 1.00 0.00 N ATOM 0 H ARG A 73 -6.233 10.032 -5.431 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.705 9.548 -6.448 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.071 11.632 -6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.789 12.058 -5.080 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.463 12.383 -5.402 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.401 11.314 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.184 13.435 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.889 13.090 -7.980 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.670 15.044 -6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.733 13.787 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.683 14.880 -6.391 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.879 16.191 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.637 16.236 -4.867 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.652 9.971 -3.187 1.00 0.00 N ATOM 1069 CA TYR A 74 -2.804 9.797 -2.008 1.00 0.00 C ATOM 1070 C TYR A 74 -2.057 8.468 -2.096 1.00 0.00 C ATOM 1071 O TYR A 74 -0.859 8.399 -1.835 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.658 9.863 -0.747 1.00 0.00 C ATOM 1073 CG TYR A 74 -2.887 9.870 0.560 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.505 8.654 1.162 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -2.681 11.082 1.244 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -1.900 8.651 2.432 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.065 11.083 2.508 1.00 0.00 C ATOM 1078 CZ TYR A 74 -1.648 9.870 3.095 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.055 9.884 4.319 1.00 0.00 O ATOM 0 H TYR A 74 -4.633 10.144 -2.969 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.067 10.599 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.273 10.762 -0.791 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.338 9.011 -0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.677 7.721 0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.997 12.013 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.629 7.716 2.899 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.911 12.015 3.031 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.958 10.810 4.625 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.757 7.406 -2.488 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.152 6.100 -2.645 1.00 0.00 C ATOM 1091 C VAL A 75 -1.238 6.094 -3.867 1.00 0.00 C ATOM 1092 O VAL A 75 -0.142 5.555 -3.788 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.228 5.004 -2.727 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.543 3.674 -2.419 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.367 5.232 -1.723 1.00 0.00 C ATOM 0 H VAL A 75 -3.754 7.433 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.542 5.882 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.673 5.015 -3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.275 2.868 -2.467 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.755 3.493 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.109 3.711 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.102 4.433 -1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.964 5.235 -0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.845 6.190 -1.926 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.637 6.708 -4.982 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.799 6.821 -6.174 1.00 0.00 C ATOM 1107 C ILE A 76 0.553 7.458 -5.821 1.00 0.00 C ATOM 1108 O ILE A 76 1.590 6.961 -6.262 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.572 7.577 -7.281 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.863 6.847 -7.720 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.717 7.889 -8.515 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.681 5.407 -8.209 1.00 0.00 C ATOM 0 H ILE A 76 -2.554 7.142 -5.083 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.568 5.832 -6.569 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.850 8.522 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.558 6.840 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.332 7.425 -8.517 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.321 8.420 -9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.129 8.511 -8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.351 6.958 -8.949 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.649 4.993 -8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.017 5.397 -9.073 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.247 4.804 -7.411 1.00 0.00 H new ATOM 1124 N ASP A 77 0.560 8.525 -5.024 1.00 0.00 N ATOM 1125 CA ASP A 77 1.763 9.172 -4.503 1.00 0.00 C ATOM 1126 C ASP A 77 2.562 8.188 -3.642 1.00 0.00 C ATOM 1127 O ASP A 77 3.782 8.108 -3.790 1.00 0.00 O ATOM 1128 CB ASP A 77 1.366 10.382 -3.631 1.00 0.00 C ATOM 1129 CG ASP A 77 1.283 11.710 -4.377 1.00 0.00 C ATOM 1130 OD1 ASP A 77 0.527 11.818 -5.375 1.00 0.00 O ATOM 1131 OD2 ASP A 77 1.797 12.726 -3.855 1.00 0.00 O ATOM 0 H ASP A 77 -0.299 8.978 -4.713 1.00 0.00 H new ATOM 0 HA ASP A 77 2.373 9.500 -5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.399 10.179 -3.171 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.089 10.481 -2.821 1.00 0.00 H new ATOM 1136 N LEU A 78 1.906 7.436 -2.746 1.00 0.00 N ATOM 1137 CA LEU A 78 2.585 6.539 -1.811 1.00 0.00 C ATOM 1138 C LEU A 78 3.220 5.360 -2.534 1.00 0.00 C ATOM 1139 O LEU A 78 4.383 5.059 -2.283 1.00 0.00 O ATOM 1140 CB LEU A 78 1.602 5.976 -0.772 1.00 0.00 C ATOM 1141 CG LEU A 78 1.304 6.887 0.426 1.00 0.00 C ATOM 1142 CD1 LEU A 78 0.292 6.149 1.306 1.00 0.00 C ATOM 1143 CD2 LEU A 78 2.551 7.221 1.255 1.00 0.00 C ATOM 0 H LEU A 78 0.890 7.436 -2.652 1.00 0.00 H new ATOM 0 HA LEU A 78 3.356 7.132 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.662 5.749 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.999 5.033 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 78 0.921 7.838 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.050 6.762 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.615 5.956 0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.720 5.203 1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.272 7.868 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.988 6.300 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.280 7.732 0.626 1.00 0.00 H new ATOM 1155 N MET A 79 2.503 4.713 -3.458 1.00 0.00 N ATOM 1156 CA MET A 79 3.038 3.656 -4.306 1.00 0.00 C ATOM 1157 C MET A 79 4.303 4.131 -5.006 1.00 0.00 C ATOM 1158 O MET A 79 5.238 3.358 -5.196 1.00 0.00 O ATOM 1159 CB MET A 79 2.017 3.275 -5.385 1.00 0.00 C ATOM 1160 CG MET A 79 0.772 2.565 -4.863 1.00 0.00 C ATOM 1161 SD MET A 79 1.037 1.094 -3.848 1.00 0.00 S ATOM 1162 CE MET A 79 2.059 0.095 -4.954 1.00 0.00 C ATOM 0 H MET A 79 1.519 4.916 -3.637 1.00 0.00 H new ATOM 0 HA MET A 79 3.258 2.796 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.709 4.179 -5.910 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.505 2.632 -6.117 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.193 3.280 -4.279 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.159 2.281 -5.719 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.232 -0.883 -4.505 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.548 -0.029 -5.909 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.014 0.594 -5.116 1.00 0.00 H new ATOM 1172 N HIS A 80 4.333 5.405 -5.393 1.00 0.00 N ATOM 1173 CA HIS A 80 5.455 5.996 -6.086 1.00 0.00 C ATOM 1174 C HIS A 80 6.640 6.259 -5.152 1.00 0.00 C ATOM 1175 O HIS A 80 7.750 6.443 -5.644 1.00 0.00 O ATOM 1176 CB HIS A 80 4.976 7.291 -6.749 1.00 0.00 C ATOM 1177 CG HIS A 80 5.598 7.587 -8.074 1.00 0.00 C ATOM 1178 ND1 HIS A 80 6.691 6.973 -8.642 1.00 0.00 N ATOM 1179 CD2 HIS A 80 5.043 8.424 -8.996 1.00 0.00 C ATOM 1180 CE1 HIS A 80 6.794 7.420 -9.899 1.00 0.00 C ATOM 1181 NE2 HIS A 80 5.808 8.298 -10.163 1.00 0.00 N ATOM 0 H HIS A 80 3.565 6.056 -5.228 1.00 0.00 H new ATOM 0 HA HIS A 80 5.817 5.297 -6.840 1.00 0.00 H new ATOM 0 HB2 HIS A 80 3.895 7.239 -6.875 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.178 8.123 -6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.182 9.060 -8.854 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.558 7.120 -10.601 1.00 0.00 H new ATOM 0 HE2 HIS A 80 5.648 8.781 -11.047 1.00 0.00 H new ATOM 1189 N HIS A 81 6.427 6.300 -3.830 1.00 0.00 N ATOM 1190 CA HIS A 81 7.457 6.394 -2.795 1.00 0.00 C ATOM 1191 C HIS A 81 7.970 4.999 -2.471 1.00 0.00 C ATOM 1192 O HIS A 81 9.176 4.768 -2.548 1.00 0.00 O ATOM 1193 CB HIS A 81 6.891 7.072 -1.531 1.00 0.00 C ATOM 1194 CG HIS A 81 7.717 8.267 -1.159 1.00 0.00 C ATOM 1195 ND1 HIS A 81 9.036 8.253 -0.774 1.00 0.00 N ATOM 1196 CD2 HIS A 81 7.335 9.567 -1.317 1.00 0.00 C ATOM 1197 CE1 HIS A 81 9.458 9.525 -0.750 1.00 0.00 C ATOM 1198 NE2 HIS A 81 8.469 10.366 -1.112 1.00 0.00 N ATOM 0 H HIS A 81 5.486 6.267 -3.438 1.00 0.00 H new ATOM 0 HA HIS A 81 8.283 7.004 -3.161 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.859 7.377 -1.706 1.00 0.00 H new ATOM 0 HB3 HIS A 81 6.878 6.361 -0.705 1.00 0.00 H new ATOM 0 HD2 HIS A 81 6.342 9.917 -1.556 1.00 0.00 H new ATOM 0 HE1 HIS A 81 10.456 9.834 -0.477 1.00 0.00 H new ATOM 0 HE2 HIS A 81 8.533 11.379 -1.216 1.00 0.00 H new ATOM 1206 N ALA A 82 7.056 4.056 -2.233 1.00 0.00 N ATOM 1207 CA ALA A 82 7.352 2.641 -2.097 1.00 0.00 C ATOM 1208 C ALA A 82 8.229 2.190 -3.263 1.00 0.00 C ATOM 1209 O ALA A 82 9.240 1.523 -3.060 1.00 0.00 O ATOM 1210 CB ALA A 82 6.039 1.858 -2.059 1.00 0.00 C ATOM 0 H ALA A 82 6.064 4.269 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 82 7.895 2.455 -1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.253 0.794 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.441 2.191 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.486 2.030 -2.982 1.00 0.00 H new ATOM 1216 N ALA A 83 7.913 2.623 -4.491 1.00 0.00 N ATOM 1217 CA ALA A 83 8.690 2.340 -5.691 1.00 0.00 C ATOM 1218 C ALA A 83 10.192 2.632 -5.521 1.00 0.00 C ATOM 1219 O ALA A 83 11.018 1.875 -6.033 1.00 0.00 O ATOM 1220 CB ALA A 83 8.116 3.087 -6.893 1.00 0.00 C ATOM 0 H ALA A 83 7.088 3.194 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 83 8.608 1.268 -5.871 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.710 2.862 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.085 2.773 -7.058 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.142 4.160 -6.701 1.00 0.00 H new ATOM 1226 N ARG A 84 10.574 3.682 -4.782 1.00 0.00 N ATOM 1227 CA ARG A 84 11.984 3.969 -4.508 1.00 0.00 C ATOM 1228 C ARG A 84 12.593 2.912 -3.596 1.00 0.00 C ATOM 1229 O ARG A 84 13.730 2.516 -3.833 1.00 0.00 O ATOM 1230 CB ARG A 84 12.176 5.361 -3.878 1.00 0.00 C ATOM 1231 CG ARG A 84 11.751 6.498 -4.817 1.00 0.00 C ATOM 1232 CD ARG A 84 10.499 7.214 -4.377 1.00 0.00 C ATOM 1233 NE ARG A 84 10.075 8.205 -5.378 1.00 0.00 N ATOM 1234 CZ ARG A 84 10.574 9.432 -5.571 1.00 0.00 C ATOM 1235 NH1 ARG A 84 11.593 9.867 -4.835 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.091 10.215 -6.531 1.00 0.00 N ATOM 0 H ARG A 84 9.923 4.347 -4.364 1.00 0.00 H new ATOM 0 HA ARG A 84 12.497 3.953 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.598 5.421 -2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.224 5.491 -3.607 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.565 7.220 -4.890 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.594 6.092 -5.816 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.700 6.490 -4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.676 7.710 -3.423 1.00 0.00 H new ATOM 0 HE ARG A 84 9.313 7.925 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 84 11.999 9.265 -4.119 1.00 0.00 H new ATOM 0 HH12 ARG A 84 11.969 10.803 -4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.334 9.882 -7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.478 11.149 -6.670 1.00 0.00 H new ATOM 1250 N ASN A 85 11.848 2.448 -2.592 1.00 0.00 N ATOM 1251 CA ASN A 85 12.317 1.520 -1.566 1.00 0.00 C ATOM 1252 C ASN A 85 12.530 0.107 -2.101 1.00 0.00 C ATOM 1253 O ASN A 85 13.114 -0.720 -1.403 1.00 0.00 O ATOM 1254 CB ASN A 85 11.311 1.458 -0.397 1.00 0.00 C ATOM 1255 CG ASN A 85 11.473 2.562 0.638 1.00 0.00 C ATOM 1256 OD1 ASN A 85 12.531 3.174 0.775 1.00 0.00 O ATOM 1257 ND2 ASN A 85 10.431 2.826 1.404 1.00 0.00 N ATOM 0 H ASN A 85 10.872 2.717 -2.468 1.00 0.00 H new ATOM 0 HA ASN A 85 13.279 1.902 -1.225 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.300 1.503 -0.802 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.412 0.494 0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.496 3.547 2.123 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.561 2.309 1.277 1.00 0.00 H new ATOM 1264 N GLY A 86 12.033 -0.223 -3.290 1.00 0.00 N ATOM 1265 CA GLY A 86 12.197 -1.553 -3.856 1.00 0.00 C ATOM 1266 C GLY A 86 11.207 -2.591 -3.303 1.00 0.00 C ATOM 1267 O GLY A 86 11.295 -3.774 -3.637 1.00 0.00 O ATOM 0 H GLY A 86 11.509 0.421 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.080 -1.494 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.214 -1.896 -3.664 1.00 0.00 H new ATOM 1271 N GLN A 87 10.256 -2.189 -2.457 1.00 0.00 N ATOM 1272 CA GLN A 87 9.185 -3.027 -1.928 1.00 0.00 C ATOM 1273 C GLN A 87 7.906 -2.200 -1.819 1.00 0.00 C ATOM 1274 O GLN A 87 7.905 -1.039 -2.233 1.00 0.00 O ATOM 1275 CB GLN A 87 9.676 -3.658 -0.599 1.00 0.00 C ATOM 1276 CG GLN A 87 10.067 -2.634 0.488 1.00 0.00 C ATOM 1277 CD GLN A 87 10.759 -3.271 1.695 1.00 0.00 C ATOM 1278 OE1 GLN A 87 10.195 -3.363 2.782 1.00 0.00 O ATOM 1279 NE2 GLN A 87 11.995 -3.723 1.533 1.00 0.00 N ATOM 0 H GLN A 87 10.212 -1.231 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 87 8.936 -3.856 -2.590 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.891 -4.304 -0.206 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.537 -4.293 -0.809 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.728 -1.885 0.052 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.172 -2.111 0.825 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.453 -3.641 0.625 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.488 -4.153 2.316 1.00 0.00 H new ATOM 1288 N VAL A 88 6.813 -2.815 -1.379 1.00 0.00 N ATOM 1289 CA VAL A 88 5.647 -2.108 -0.872 1.00 0.00 C ATOM 1290 C VAL A 88 4.949 -3.017 0.130 1.00 0.00 C ATOM 1291 O VAL A 88 4.634 -4.171 -0.178 1.00 0.00 O ATOM 1292 CB VAL A 88 4.707 -1.628 -2.001 1.00 0.00 C ATOM 1293 CG1 VAL A 88 4.023 -2.765 -2.772 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.633 -0.689 -1.432 1.00 0.00 C ATOM 0 H VAL A 88 6.713 -3.830 -1.365 1.00 0.00 H new ATOM 0 HA VAL A 88 5.962 -1.192 -0.373 1.00 0.00 H new ATOM 0 HB VAL A 88 5.345 -1.105 -2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.381 -2.345 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.780 -3.399 -3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.421 -3.360 -2.085 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.977 -0.357 -2.236 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.047 -1.219 -0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.112 0.177 -0.974 1.00 0.00 H new ATOM 1304 N ASN A 89 4.679 -2.489 1.318 1.00 0.00 N ATOM 1305 CA ASN A 89 3.924 -3.202 2.337 1.00 0.00 C ATOM 1306 C ASN A 89 2.440 -2.912 2.108 1.00 0.00 C ATOM 1307 O ASN A 89 2.107 -1.769 1.796 1.00 0.00 O ATOM 1308 CB ASN A 89 4.400 -2.728 3.717 1.00 0.00 C ATOM 1309 CG ASN A 89 4.322 -3.863 4.719 1.00 0.00 C ATOM 1310 OD1 ASN A 89 3.379 -4.642 4.712 1.00 0.00 O ATOM 1311 ND2 ASN A 89 5.288 -3.986 5.606 1.00 0.00 N ATOM 0 H ASN A 89 4.978 -1.555 1.600 1.00 0.00 H new ATOM 0 HA ASN A 89 4.078 -4.280 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.425 -2.363 3.650 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.786 -1.893 4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 89 5.254 -4.736 6.296 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.070 -3.331 5.603 1.00 0.00 H new ATOM 1318 N LEU A 90 1.515 -3.862 2.244 1.00 0.00 N ATOM 1319 CA LEU A 90 0.095 -3.668 1.916 1.00 0.00 C ATOM 1320 C LEU A 90 -0.720 -4.369 2.993 1.00 0.00 C ATOM 1321 O LEU A 90 -0.527 -5.564 3.203 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.265 -4.261 0.530 1.00 0.00 C ATOM 1323 CG LEU A 90 0.679 -3.851 -0.627 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.706 -4.928 -1.717 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.275 -2.491 -1.197 1.00 0.00 C ATOM 0 H LEU A 90 1.728 -4.798 2.588 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.122 -2.601 1.876 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.268 -5.348 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.280 -3.957 0.275 1.00 0.00 H new ATOM 0 HG LEU A 90 1.690 -3.759 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.376 -4.617 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.060 -5.867 -1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.299 -5.066 -2.117 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.951 -2.221 -2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.745 -2.544 -1.577 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.331 -1.736 -0.412 1.00 0.00 H new ATOM 1337 N THR A 91 -1.646 -3.679 3.652 1.00 0.00 N ATOM 1338 CA THR A 91 -2.595 -4.324 4.552 1.00 0.00 C ATOM 1339 C THR A 91 -3.985 -4.120 3.964 1.00 0.00 C ATOM 1340 O THR A 91 -4.457 -2.981 3.895 1.00 0.00 O ATOM 1341 CB THR A 91 -2.526 -3.708 5.956 1.00 0.00 C ATOM 1342 OG1 THR A 91 -1.245 -3.822 6.525 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.504 -4.316 6.964 1.00 0.00 C ATOM 0 H THR A 91 -1.759 -2.668 3.579 1.00 0.00 H new ATOM 0 HA THR A 91 -2.360 -5.384 4.648 1.00 0.00 H new ATOM 0 HB THR A 91 -2.795 -2.666 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.246 -3.416 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 91 -3.387 -3.822 7.928 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.525 -4.180 6.608 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.298 -5.381 7.075 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.642 -5.204 3.563 1.00 0.00 N ATOM 1352 CA VAL A 92 -6.050 -5.219 3.199 1.00 0.00 C ATOM 1353 C VAL A 92 -6.845 -5.754 4.402 1.00 0.00 C ATOM 1354 O VAL A 92 -6.268 -6.304 5.340 1.00 0.00 O ATOM 1355 CB VAL A 92 -6.263 -6.027 1.888 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.415 -5.495 0.718 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.982 -7.523 2.038 1.00 0.00 C ATOM 0 H VAL A 92 -4.196 -6.118 3.481 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.417 -4.217 2.978 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.322 -5.890 1.668 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.604 -6.097 -0.171 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.682 -4.457 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.358 -5.554 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.151 -8.022 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.947 -7.670 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.648 -7.944 2.791 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.173 -5.635 4.400 1.00 0.00 N ATOM 1368 CA ARG A 93 -9.049 -6.263 5.393 1.00 0.00 C ATOM 1369 C ARG A 93 -10.337 -6.683 4.714 1.00 0.00 C ATOM 1370 O ARG A 93 -10.739 -6.012 3.764 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.318 -5.310 6.577 1.00 0.00 C ATOM 1372 CG ARG A 93 -10.297 -4.170 6.262 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.660 -3.315 7.481 1.00 0.00 C ATOM 1374 NE ARG A 93 -11.143 -1.954 7.172 1.00 0.00 N ATOM 1375 CZ ARG A 93 -12.209 -1.562 6.459 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -12.918 -2.414 5.734 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -12.589 -0.293 6.481 1.00 0.00 N ATOM 0 H ARG A 93 -8.679 -5.093 3.700 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.559 -7.146 5.805 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.711 -5.890 7.413 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.371 -4.880 6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.860 -3.529 5.497 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.209 -4.592 5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -11.428 -3.835 8.054 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.783 -3.235 8.123 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.580 -1.197 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.658 -3.400 5.707 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.724 -2.084 5.203 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.071 0.385 7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.400 0.006 5.939 1.00 0.00 H new ATOM 1391 N ARG A 94 -11.014 -7.713 5.229 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.335 -8.160 4.782 1.00 0.00 C ATOM 1393 C ARG A 94 -13.071 -8.811 5.938 1.00 0.00 C ATOM 1394 O ARG A 94 -12.455 -9.544 6.721 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.188 -9.183 3.647 1.00 0.00 C ATOM 1396 CG ARG A 94 -12.055 -8.536 2.258 1.00 0.00 C ATOM 1397 CD ARG A 94 -11.191 -9.414 1.363 1.00 0.00 C ATOM 1398 NE ARG A 94 -11.932 -10.572 0.851 1.00 0.00 N ATOM 1399 CZ ARG A 94 -11.398 -11.667 0.306 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -10.082 -11.782 0.164 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -12.225 -12.626 -0.084 1.00 0.00 N ATOM 0 H ARG A 94 -10.645 -8.277 5.994 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.895 -7.296 4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.312 -9.803 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.053 -9.846 3.650 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.041 -8.404 1.812 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.611 -7.545 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.818 -8.823 0.526 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -10.321 -9.758 1.923 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.949 -10.537 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.468 -11.028 0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.686 -12.624 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -13.231 -12.512 0.037 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.855 -13.478 -0.505 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.388 -8.606 6.012 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.284 -9.313 6.918 1.00 0.00 C ATOM 1417 C LYS A 95 -15.053 -10.804 6.825 1.00 0.00 C ATOM 1418 O LYS A 95 -14.833 -11.353 5.741 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.759 -8.949 6.653 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.415 -8.231 7.852 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.654 -8.941 8.385 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.953 -8.561 7.671 1.00 0.00 C ATOM 1423 NZ LYS A 95 -21.067 -9.389 8.174 1.00 0.00 N ATOM 0 H LYS A 95 -14.870 -7.924 5.426 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.059 -8.997 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.819 -8.309 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.319 -9.856 6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.684 -8.142 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -17.687 -7.218 7.554 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.507 -10.018 8.299 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.758 -8.718 9.447 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -20.171 -7.506 7.833 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.841 -8.702 6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.770 -9.520 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.703 -10.316 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -21.514 -8.915 8.984 1.00 0.00 H new ATOM 1437 N VAL A 96 -15.120 -11.444 7.980 1.00 0.00 N ATOM 1438 CA VAL A 96 -15.215 -12.893 8.086 1.00 0.00 C ATOM 1439 C VAL A 96 -16.714 -13.202 8.103 1.00 0.00 C ATOM 1440 O VAL A 96 -17.521 -12.332 8.453 1.00 0.00 O ATOM 1441 CB VAL A 96 -14.478 -13.354 9.361 1.00 0.00 C ATOM 1442 CG1 VAL A 96 -14.450 -14.883 9.489 1.00 0.00 C ATOM 1443 CG2 VAL A 96 -13.019 -12.862 9.395 1.00 0.00 C ATOM 0 H VAL A 96 -15.110 -10.968 8.882 1.00 0.00 H new ATOM 0 HA VAL A 96 -14.744 -13.427 7.261 1.00 0.00 H new ATOM 0 HB VAL A 96 -15.038 -12.920 10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.922 -15.162 10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -15.471 -15.263 9.530 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.938 -15.311 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.539 -13.210 10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -12.482 -13.255 8.532 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -13.002 -11.772 9.368 1.00 0.00 H new ATOM 1453 N LEU A 97 -17.112 -14.404 7.696 1.00 0.00 N ATOM 1454 CA LEU A 97 -18.511 -14.811 7.693 1.00 0.00 C ATOM 1455 C LEU A 97 -18.521 -16.325 7.833 1.00 0.00 C ATOM 1456 O LEU A 97 -17.756 -16.994 7.133 1.00 0.00 O ATOM 1457 CB LEU A 97 -19.160 -14.364 6.366 1.00 0.00 C ATOM 1458 CG LEU A 97 -20.649 -13.985 6.448 1.00 0.00 C ATOM 1459 CD1 LEU A 97 -21.549 -15.121 6.927 1.00 0.00 C ATOM 1460 CD2 LEU A 97 -20.874 -12.708 7.271 1.00 0.00 C ATOM 0 H LEU A 97 -16.472 -15.123 7.359 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.077 -14.358 8.506 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -18.606 -13.507 5.982 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -19.048 -15.168 5.639 1.00 0.00 H new ATOM 0 HG LEU A 97 -20.948 -13.780 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.583 -14.777 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.468 -15.964 6.241 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -21.240 -15.434 7.924 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.939 -12.478 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.506 -12.859 8.286 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -20.337 -11.879 6.810 1.00 0.00 H new ATOM 1472 N SER A 98 -19.311 -16.870 8.755 1.00 0.00 N ATOM 1473 CA SER A 98 -19.472 -18.310 8.912 1.00 0.00 C ATOM 1474 C SER A 98 -20.159 -18.940 7.699 1.00 0.00 C ATOM 1475 O SER A 98 -19.578 -19.808 7.051 1.00 0.00 O ATOM 1476 CB SER A 98 -20.250 -18.595 10.191 1.00 0.00 C ATOM 1477 OG SER A 98 -19.542 -18.074 11.296 1.00 0.00 O ATOM 0 H SER A 98 -19.859 -16.321 9.417 1.00 0.00 H new ATOM 0 HA SER A 98 -18.483 -18.763 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 98 -21.241 -18.145 10.135 1.00 0.00 H new ATOM 0 HB3 SER A 98 -20.394 -19.669 10.311 1.00 0.00 H new ATOM 0 HG SER A 98 -20.042 -18.255 12.119 1.00 0.00 H new ATOM 1483 N GLY A 99 -21.385 -18.533 7.379 1.00 0.00 N ATOM 1484 CA GLY A 99 -22.188 -19.228 6.391 1.00 0.00 C ATOM 1485 C GLY A 99 -23.578 -18.613 6.266 1.00 0.00 C ATOM 1486 O GLY A 99 -23.807 -17.520 6.799 1.00 0.00 O ATOM 0 H GLY A 99 -21.841 -17.721 7.795 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -21.686 -19.194 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -22.278 -20.279 6.667 1.00 0.00 H new ATOM 1490 N PRO A 100 -24.505 -19.301 5.579 1.00 0.00 N ATOM 1491 CA PRO A 100 -25.920 -18.949 5.530 1.00 0.00 C ATOM 1492 C PRO A 100 -26.505 -18.633 6.908 1.00 0.00 C ATOM 1493 O PRO A 100 -26.088 -19.205 7.921 1.00 0.00 O ATOM 1494 CB PRO A 100 -26.618 -20.180 4.938 1.00 0.00 C ATOM 1495 CG PRO A 100 -25.538 -20.806 4.063 1.00 0.00 C ATOM 1496 CD PRO A 100 -24.269 -20.551 4.871 1.00 0.00 C ATOM 0 HA PRO A 100 -26.063 -18.045 4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -26.953 -20.866 5.716 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -27.497 -19.903 4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -25.711 -21.870 3.904 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -25.493 -20.340 3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -24.077 -21.367 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -23.398 -20.475 4.220 1.00 0.00 H new ATOM 1504 N SER A 101 -27.523 -17.776 6.936 1.00 0.00 N ATOM 1505 CA SER A 101 -28.323 -17.485 8.114 1.00 0.00 C ATOM 1506 C SER A 101 -29.662 -16.886 7.671 1.00 0.00 C ATOM 1507 O SER A 101 -29.899 -16.639 6.484 1.00 0.00 O ATOM 1508 CB SER A 101 -27.547 -16.519 9.029 1.00 0.00 C ATOM 1509 OG SER A 101 -28.132 -16.446 10.319 1.00 0.00 O ATOM 0 H SER A 101 -27.819 -17.251 6.113 1.00 0.00 H new ATOM 0 HA SER A 101 -28.524 -18.396 8.677 1.00 0.00 H new ATOM 0 HB2 SER A 101 -26.512 -16.850 9.115 1.00 0.00 H new ATOM 0 HB3 SER A 101 -27.528 -15.526 8.580 1.00 0.00 H new ATOM 0 HG SER A 101 -27.617 -15.827 10.877 1.00 0.00 H new ATOM 1515 N SER A 102 -30.541 -16.624 8.630 1.00 0.00 N ATOM 1516 CA SER A 102 -31.548 -15.577 8.584 1.00 0.00 C ATOM 1517 C SER A 102 -31.732 -15.057 10.016 1.00 0.00 C ATOM 1518 O SER A 102 -30.839 -15.233 10.855 1.00 0.00 O ATOM 1519 CB SER A 102 -32.823 -16.087 7.900 1.00 0.00 C ATOM 1520 OG SER A 102 -32.574 -16.169 6.509 1.00 0.00 O ATOM 0 H SER A 102 -30.571 -17.160 9.497 1.00 0.00 H new ATOM 0 HA SER A 102 -31.242 -14.731 7.969 1.00 0.00 H new ATOM 0 HB2 SER A 102 -33.102 -17.064 8.295 1.00 0.00 H new ATOM 0 HB3 SER A 102 -33.657 -15.413 8.098 1.00 0.00 H new ATOM 0 HG SER A 102 -31.608 -16.211 6.352 1.00 0.00 H new ATOM 1526 N GLY A 103 -32.829 -14.355 10.270 1.00 0.00 N ATOM 1527 CA GLY A 103 -32.904 -13.198 11.135 1.00 0.00 C ATOM 1528 C GLY A 103 -33.239 -12.072 10.177 1.00 0.00 C ATOM 1529 O GLY A 103 -32.643 -10.994 10.292 1.00 0.00 O ATOM 0 H GLY A 103 -33.730 -14.593 9.856 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -33.670 -13.317 11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -31.961 -13.020 11.652 1.00 0.00 H new TER 1533 GLY A 103