USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=24 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 70 GLN : amide:sc= -1.86 K(o=-1.9,f=-4!) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 75 ASN : amide:sc= -0.283 K(o=-0.59,f=-3.8) USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.302 X(o=-0.59,f=-0.34) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0834 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 40:sc= -1.77 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -160:sc=-0.00127 USER MOD Single : A 25 LYS NZ :NH3+ 134:sc= 0.0273 (180deg=-0.624) USER MOD Single : A 26 SER OG : rot 87:sc= 0.082 USER MOD Single : A 27 GLN : amide:sc= -0.35 K(o=-0.35,f=-4.5!) USER MOD Single : A 28 GLN : amide:sc= -4.28! C(o=-4.3!,f=-15!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -105:sc= -0.963 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -2.06! C(o=-2.1!,f=-2.8!) USER MOD Single : A 51 ASN : amide:sc= -0.0844 X(o=-0.084,f=-0.07) USER MOD Single : A 57 MET CE :methyl -150:sc= -0.298 (180deg=-1.24) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.109 K(o=-0.11,f=-0.76) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.217) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.71) USER MOD Single : A 78 CYS SG : rot -60:sc= -3.9! USER MOD Single : A 81 TYR OH : rot -143:sc= 0.344 USER MOD Single : A 90 GLN : amide:sc= -0.182 K(o=-0.18,f=-1.2) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0514 USER MOD Single : A 94 GLN : amide:sc= -0.421 K(o=-0.42,f=-2.8!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.156 -5.477 -28.806 1.00 0.00 N ATOM 2 CA GLY A 1 20.131 -5.582 -27.357 1.00 0.00 C ATOM 3 C GLY A 1 19.419 -6.862 -26.913 1.00 0.00 C ATOM 4 O GLY A 1 19.149 -7.742 -27.729 1.00 0.00 O ATOM 0 H1 GLY A 1 21.136 -5.342 -29.127 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.772 -6.348 -29.224 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.578 -4.666 -29.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.150 -5.576 -26.971 1.00 0.00 H new ATOM 0 HA3 GLY A 1 19.624 -4.714 -26.934 1.00 0.00 H new ATOM 8 N SER A 2 19.135 -6.925 -25.620 1.00 0.00 N ATOM 9 CA SER A 2 18.460 -8.082 -25.058 1.00 0.00 C ATOM 10 C SER A 2 17.955 -7.760 -23.649 1.00 0.00 C ATOM 11 O SER A 2 18.454 -6.841 -23.002 1.00 0.00 O ATOM 12 CB SER A 2 19.387 -9.298 -25.024 1.00 0.00 C ATOM 13 OG SER A 2 20.379 -9.186 -24.007 1.00 0.00 O ATOM 0 H SER A 2 19.360 -6.193 -24.946 1.00 0.00 H new ATOM 0 HA SER A 2 17.610 -8.325 -25.696 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.797 -10.199 -24.857 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.873 -9.410 -25.993 1.00 0.00 H new ATOM 0 HG SER A 2 20.949 -9.983 -24.017 1.00 0.00 H new ATOM 19 N GLU A 3 16.972 -8.535 -23.216 1.00 0.00 N ATOM 20 CA GLU A 3 16.394 -8.344 -21.897 1.00 0.00 C ATOM 21 C GLU A 3 17.497 -8.103 -20.864 1.00 0.00 C ATOM 22 O GLU A 3 18.548 -8.740 -20.913 1.00 0.00 O ATOM 23 CB GLU A 3 15.524 -9.539 -21.501 1.00 0.00 C ATOM 24 CG GLU A 3 14.048 -9.261 -21.788 1.00 0.00 C ATOM 25 CD GLU A 3 13.525 -10.171 -22.902 1.00 0.00 C ATOM 26 OE1 GLU A 3 13.831 -9.865 -24.075 1.00 0.00 O ATOM 27 OE2 GLU A 3 12.832 -11.151 -22.556 1.00 0.00 O ATOM 0 H GLU A 3 16.561 -9.297 -23.755 1.00 0.00 H new ATOM 0 HA GLU A 3 15.752 -7.463 -21.927 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.844 -10.424 -22.050 1.00 0.00 H new ATOM 0 HB3 GLU A 3 15.658 -9.755 -20.441 1.00 0.00 H new ATOM 0 HG2 GLU A 3 13.462 -9.416 -20.882 1.00 0.00 H new ATOM 0 HG3 GLU A 3 13.920 -8.217 -22.076 1.00 0.00 H new ATOM 34 N GLY A 4 17.220 -7.181 -19.954 1.00 0.00 N ATOM 35 CA GLY A 4 18.176 -6.848 -18.911 1.00 0.00 C ATOM 36 C GLY A 4 18.154 -7.892 -17.793 1.00 0.00 C ATOM 37 O GLY A 4 18.100 -9.092 -18.060 1.00 0.00 O ATOM 0 H GLY A 4 16.347 -6.654 -19.917 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.178 -6.787 -19.337 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.944 -5.865 -18.500 1.00 0.00 H new ATOM 41 N ALA A 5 18.197 -7.398 -16.565 1.00 0.00 N ATOM 42 CA ALA A 5 18.183 -8.274 -15.405 1.00 0.00 C ATOM 43 C ALA A 5 16.857 -8.105 -14.660 1.00 0.00 C ATOM 44 O ALA A 5 16.543 -7.016 -14.184 1.00 0.00 O ATOM 45 CB ALA A 5 19.392 -7.967 -14.519 1.00 0.00 C ATOM 0 H ALA A 5 18.242 -6.402 -16.347 1.00 0.00 H new ATOM 0 HA ALA A 5 18.259 -9.317 -15.711 1.00 0.00 H new ATOM 0 HB1 ALA A 5 19.382 -8.624 -13.649 1.00 0.00 H new ATOM 0 HB2 ALA A 5 20.309 -8.130 -15.086 1.00 0.00 H new ATOM 0 HB3 ALA A 5 19.348 -6.929 -14.190 1.00 0.00 H new ATOM 51 N ALA A 6 16.115 -9.200 -14.584 1.00 0.00 N ATOM 52 CA ALA A 6 14.830 -9.187 -13.905 1.00 0.00 C ATOM 53 C ALA A 6 15.032 -9.552 -12.433 1.00 0.00 C ATOM 54 O ALA A 6 14.905 -10.715 -12.055 1.00 0.00 O ATOM 55 CB ALA A 6 13.868 -10.141 -14.615 1.00 0.00 C ATOM 0 H ALA A 6 16.379 -10.102 -14.981 1.00 0.00 H new ATOM 0 HA ALA A 6 14.388 -8.191 -13.940 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.904 -10.131 -14.106 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.736 -9.822 -15.649 1.00 0.00 H new ATOM 0 HB3 ALA A 6 14.278 -11.151 -14.597 1.00 0.00 H new ATOM 61 N THR A 7 15.342 -8.535 -11.642 1.00 0.00 N ATOM 62 CA THR A 7 15.563 -8.734 -10.219 1.00 0.00 C ATOM 63 C THR A 7 14.227 -8.803 -9.477 1.00 0.00 C ATOM 64 O THR A 7 13.264 -8.142 -9.862 1.00 0.00 O ATOM 65 CB THR A 7 16.478 -7.613 -9.722 1.00 0.00 C ATOM 66 OG1 THR A 7 16.657 -7.900 -8.337 1.00 0.00 O ATOM 67 CG2 THR A 7 15.789 -6.247 -9.733 1.00 0.00 C ATOM 0 H THR A 7 15.445 -7.571 -11.959 1.00 0.00 H new ATOM 0 HA THR A 7 16.056 -9.686 -10.024 1.00 0.00 H new ATOM 0 HB THR A 7 17.373 -7.573 -10.342 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.240 -7.222 -7.935 1.00 0.00 H new ATOM 0 HG21 THR A 7 16.482 -5.487 -9.371 1.00 0.00 H new ATOM 0 HG22 THR A 7 15.481 -6.003 -10.750 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.912 -6.276 -9.086 1.00 0.00 H new ATOM 75 N MET A 8 14.212 -9.609 -8.425 1.00 0.00 N ATOM 76 CA MET A 8 13.010 -9.773 -7.625 1.00 0.00 C ATOM 77 C MET A 8 12.380 -8.417 -7.299 1.00 0.00 C ATOM 78 O MET A 8 13.020 -7.378 -7.452 1.00 0.00 O ATOM 79 CB MET A 8 13.357 -10.501 -6.326 1.00 0.00 C ATOM 80 CG MET A 8 12.161 -11.305 -5.812 1.00 0.00 C ATOM 81 SD MET A 8 11.544 -10.583 -4.301 1.00 0.00 S ATOM 82 CE MET A 8 10.274 -11.768 -3.887 1.00 0.00 C ATOM 0 H MET A 8 15.013 -10.155 -8.108 1.00 0.00 H new ATOM 0 HA MET A 8 12.291 -10.358 -8.198 1.00 0.00 H new ATOM 0 HB2 MET A 8 14.203 -11.168 -6.493 1.00 0.00 H new ATOM 0 HB3 MET A 8 13.665 -9.778 -5.571 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.373 -11.322 -6.565 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.456 -12.339 -5.636 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.783 -11.467 -2.961 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.539 -11.809 -4.691 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.724 -12.752 -3.756 1.00 0.00 H new ATOM 92 N SER A 9 11.133 -8.472 -6.855 1.00 0.00 N ATOM 93 CA SER A 9 10.409 -7.262 -6.505 1.00 0.00 C ATOM 94 C SER A 9 9.445 -7.543 -5.350 1.00 0.00 C ATOM 95 O SER A 9 8.274 -7.845 -5.574 1.00 0.00 O ATOM 96 CB SER A 9 9.646 -6.708 -7.710 1.00 0.00 C ATOM 97 OG SER A 9 10.523 -6.322 -8.765 1.00 0.00 O ATOM 0 H SER A 9 10.605 -9.336 -6.730 1.00 0.00 H new ATOM 0 HA SER A 9 11.133 -6.510 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.949 -7.462 -8.076 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.052 -5.848 -7.399 1.00 0.00 H new ATOM 0 HG SER A 9 9.998 -5.975 -9.516 1.00 0.00 H new ATOM 103 N GLY A 10 9.974 -7.434 -4.140 1.00 0.00 N ATOM 104 CA GLY A 10 9.175 -7.673 -2.950 1.00 0.00 C ATOM 105 C GLY A 10 8.429 -6.406 -2.527 1.00 0.00 C ATOM 106 O GLY A 10 8.768 -5.789 -1.519 1.00 0.00 O ATOM 0 H GLY A 10 10.946 -7.183 -3.958 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.460 -8.473 -3.142 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.819 -8.009 -2.137 1.00 0.00 H new ATOM 110 N LEU A 11 7.426 -6.056 -3.320 1.00 0.00 N ATOM 111 CA LEU A 11 6.629 -4.874 -3.040 1.00 0.00 C ATOM 112 C LEU A 11 5.699 -5.159 -1.859 1.00 0.00 C ATOM 113 O LEU A 11 5.126 -6.244 -1.763 1.00 0.00 O ATOM 114 CB LEU A 11 5.897 -4.410 -4.301 1.00 0.00 C ATOM 115 CG LEU A 11 5.886 -2.901 -4.553 1.00 0.00 C ATOM 116 CD1 LEU A 11 7.063 -2.485 -5.438 1.00 0.00 C ATOM 117 CD2 LEU A 11 4.544 -2.453 -5.135 1.00 0.00 C ATOM 0 H LEU A 11 7.148 -6.570 -4.156 1.00 0.00 H new ATOM 0 HA LEU A 11 7.271 -4.043 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.353 -4.899 -5.162 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.865 -4.757 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 11 6.008 -2.393 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.032 -1.408 -5.602 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.999 -2.751 -4.947 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.997 -3.000 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.562 -1.376 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.368 -2.967 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.745 -2.696 -4.435 1.00 0.00 H new ATOM 129 N ARG A 12 5.576 -4.167 -0.990 1.00 0.00 N ATOM 130 CA ARG A 12 4.725 -4.298 0.180 1.00 0.00 C ATOM 131 C ARG A 12 3.816 -3.075 0.314 1.00 0.00 C ATOM 132 O ARG A 12 4.283 -1.939 0.249 1.00 0.00 O ATOM 133 CB ARG A 12 5.559 -4.446 1.454 1.00 0.00 C ATOM 134 CG ARG A 12 6.355 -5.753 1.439 1.00 0.00 C ATOM 135 CD ARG A 12 6.612 -6.254 2.862 1.00 0.00 C ATOM 136 NE ARG A 12 8.059 -6.493 3.060 1.00 0.00 N ATOM 137 CZ ARG A 12 8.758 -7.446 2.428 1.00 0.00 C ATOM 138 NH1 ARG A 12 8.146 -8.255 1.553 1.00 0.00 N ATOM 139 NH2 ARG A 12 10.068 -7.589 2.670 1.00 0.00 N ATOM 0 H ARG A 12 6.052 -3.269 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 12 4.118 -5.194 0.050 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.242 -3.601 1.546 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.905 -4.424 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.808 -6.510 0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.305 -5.599 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.254 -5.521 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.055 -7.174 3.039 1.00 0.00 H new ATOM 0 HE ARG A 12 8.556 -5.894 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.149 -8.145 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.677 -8.981 1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.534 -6.972 3.336 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.599 -8.315 2.189 1.00 0.00 H new ATOM 153 N VAL A 13 2.533 -3.349 0.499 1.00 0.00 N ATOM 154 CA VAL A 13 1.553 -2.285 0.643 1.00 0.00 C ATOM 155 C VAL A 13 1.014 -2.284 2.075 1.00 0.00 C ATOM 156 O VAL A 13 0.133 -3.073 2.411 1.00 0.00 O ATOM 157 CB VAL A 13 0.454 -2.440 -0.409 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.803 -1.666 -0.007 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.949 -2.002 -1.789 1.00 0.00 C ATOM 0 H VAL A 13 2.149 -4.292 0.553 1.00 0.00 H new ATOM 0 HA VAL A 13 2.016 -1.314 0.469 1.00 0.00 H new ATOM 0 HB VAL A 13 0.193 -3.497 -0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.569 -1.793 -0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.175 -2.045 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.562 -0.608 0.093 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.148 -2.123 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.251 -0.955 -1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.801 -2.616 -2.082 1.00 0.00 H new ATOM 169 N TYR A 14 1.567 -1.388 2.881 1.00 0.00 N ATOM 170 CA TYR A 14 1.153 -1.274 4.269 1.00 0.00 C ATOM 171 C TYR A 14 -0.243 -0.657 4.375 1.00 0.00 C ATOM 172 O TYR A 14 -0.401 0.556 4.249 1.00 0.00 O ATOM 173 CB TYR A 14 2.163 -0.338 4.934 1.00 0.00 C ATOM 174 CG TYR A 14 3.493 -1.007 5.287 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.348 -1.413 4.283 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.838 -1.204 6.609 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.600 -2.043 4.615 1.00 0.00 C ATOM 178 CE2 TYR A 14 5.089 -1.834 6.940 1.00 0.00 C ATOM 179 CZ TYR A 14 5.909 -2.222 5.927 1.00 0.00 C ATOM 180 OH TYR A 14 7.091 -2.817 6.240 1.00 0.00 O ATOM 0 H TYR A 14 2.298 -0.735 2.599 1.00 0.00 H new ATOM 0 HA TYR A 14 1.118 -2.256 4.742 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.357 0.503 4.268 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.721 0.070 5.843 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.079 -1.258 3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.169 -0.885 7.395 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.278 -2.366 3.839 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.370 -1.995 7.970 1.00 0.00 H new ATOM 0 HH TYR A 14 7.179 -2.878 7.214 1.00 0.00 H new ATOM 190 N SER A 15 -1.221 -1.521 4.607 1.00 0.00 N ATOM 191 CA SER A 15 -2.599 -1.077 4.732 1.00 0.00 C ATOM 192 C SER A 15 -3.185 -1.558 6.060 1.00 0.00 C ATOM 193 O SER A 15 -2.772 -2.590 6.588 1.00 0.00 O ATOM 194 CB SER A 15 -3.448 -1.579 3.563 1.00 0.00 C ATOM 195 OG SER A 15 -2.997 -2.842 3.079 1.00 0.00 O ATOM 0 H SER A 15 -1.086 -2.527 4.712 1.00 0.00 H new ATOM 0 HA SER A 15 -2.610 0.013 4.711 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.488 -1.662 3.880 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.419 -0.849 2.754 1.00 0.00 H new ATOM 0 HG SER A 15 -2.740 -3.410 3.836 1.00 0.00 H new ATOM 201 N THR A 16 -4.140 -0.789 6.562 1.00 0.00 N ATOM 202 CA THR A 16 -4.788 -1.124 7.819 1.00 0.00 C ATOM 203 C THR A 16 -6.227 -1.580 7.572 1.00 0.00 C ATOM 204 O THR A 16 -6.805 -1.284 6.527 1.00 0.00 O ATOM 205 CB THR A 16 -4.685 0.091 8.743 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.454 -0.276 9.885 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.411 1.315 8.183 1.00 0.00 C ATOM 0 H THR A 16 -4.481 0.065 6.121 1.00 0.00 H new ATOM 0 HA THR A 16 -4.294 -1.964 8.307 1.00 0.00 H new ATOM 0 HB THR A 16 -3.635 0.335 8.907 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.440 0.455 10.537 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.307 2.149 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.977 1.587 7.221 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.468 1.082 8.051 1.00 0.00 H new ATOM 215 N SER A 17 -6.765 -2.292 8.551 1.00 0.00 N ATOM 216 CA SER A 17 -8.126 -2.792 8.453 1.00 0.00 C ATOM 217 C SER A 17 -9.033 -2.033 9.424 1.00 0.00 C ATOM 218 O SER A 17 -10.253 -2.032 9.267 1.00 0.00 O ATOM 219 CB SER A 17 -8.183 -4.294 8.737 1.00 0.00 C ATOM 220 OG SER A 17 -9.153 -4.954 7.929 1.00 0.00 O ATOM 0 H SER A 17 -6.283 -2.535 9.416 1.00 0.00 H new ATOM 0 HA SER A 17 -8.478 -2.629 7.434 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.202 -4.734 8.558 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.417 -4.455 9.789 1.00 0.00 H new ATOM 0 HG SER A 17 -9.157 -5.911 8.139 1.00 0.00 H new ATOM 226 N VAL A 18 -8.402 -1.405 10.406 1.00 0.00 N ATOM 227 CA VAL A 18 -9.137 -0.645 11.402 1.00 0.00 C ATOM 228 C VAL A 18 -8.733 0.828 11.312 1.00 0.00 C ATOM 229 O VAL A 18 -7.729 1.237 11.893 1.00 0.00 O ATOM 230 CB VAL A 18 -8.908 -1.243 12.791 1.00 0.00 C ATOM 231 CG1 VAL A 18 -9.613 -0.416 13.867 1.00 0.00 C ATOM 232 CG2 VAL A 18 -9.359 -2.704 12.839 1.00 0.00 C ATOM 0 H VAL A 18 -7.390 -1.407 10.533 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.209 -0.702 11.211 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.838 -1.215 12.996 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.434 -0.863 14.845 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.224 0.602 13.857 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.684 -0.397 13.667 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -9.185 -3.106 13.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.421 -2.765 12.603 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.792 -3.284 12.111 1.00 0.00 H new ATOM 242 N THR A 19 -9.537 1.586 10.579 1.00 0.00 N ATOM 243 CA THR A 19 -9.276 3.004 10.406 1.00 0.00 C ATOM 244 C THR A 19 -10.575 3.804 10.528 1.00 0.00 C ATOM 245 O THR A 19 -11.609 3.400 10.000 1.00 0.00 O ATOM 246 CB THR A 19 -8.570 3.195 9.062 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.492 4.609 8.908 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.427 2.737 7.880 1.00 0.00 C ATOM 0 H THR A 19 -10.369 1.244 10.099 1.00 0.00 H new ATOM 0 HA THR A 19 -8.621 3.384 11.190 1.00 0.00 H new ATOM 0 HB THR A 19 -7.630 2.642 9.064 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.046 4.822 8.062 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.879 2.894 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.660 1.678 7.989 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.353 3.312 7.857 1.00 0.00 H new ATOM 256 N GLY A 20 -10.478 4.925 11.228 1.00 0.00 N ATOM 257 CA GLY A 20 -11.632 5.785 11.427 1.00 0.00 C ATOM 258 C GLY A 20 -11.438 7.133 10.730 1.00 0.00 C ATOM 259 O GLY A 20 -11.856 8.168 11.245 1.00 0.00 O ATOM 0 H GLY A 20 -9.618 5.257 11.664 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.526 5.296 11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.793 5.943 12.493 1.00 0.00 H new ATOM 263 N SER A 21 -10.802 7.076 9.568 1.00 0.00 N ATOM 264 CA SER A 21 -10.547 8.280 8.795 1.00 0.00 C ATOM 265 C SER A 21 -11.376 8.261 7.509 1.00 0.00 C ATOM 266 O SER A 21 -11.906 9.290 7.093 1.00 0.00 O ATOM 267 CB SER A 21 -9.059 8.418 8.465 1.00 0.00 C ATOM 268 OG SER A 21 -8.246 8.356 9.634 1.00 0.00 O ATOM 0 H SER A 21 -10.456 6.215 9.144 1.00 0.00 H new ATOM 0 HA SER A 21 -10.840 9.141 9.396 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.765 7.626 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.887 9.365 7.953 1.00 0.00 H new ATOM 0 HG SER A 21 -7.370 8.753 9.445 1.00 0.00 H new ATOM 274 N ARG A 22 -11.462 7.080 6.915 1.00 0.00 N ATOM 275 CA ARG A 22 -12.217 6.913 5.685 1.00 0.00 C ATOM 276 C ARG A 22 -11.367 7.323 4.481 1.00 0.00 C ATOM 277 O ARG A 22 -11.146 6.523 3.573 1.00 0.00 O ATOM 278 CB ARG A 22 -13.496 7.753 5.707 1.00 0.00 C ATOM 279 CG ARG A 22 -14.677 6.968 5.130 1.00 0.00 C ATOM 280 CD ARG A 22 -15.874 7.886 4.878 1.00 0.00 C ATOM 281 NE ARG A 22 -17.135 7.122 5.012 1.00 0.00 N ATOM 282 CZ ARG A 22 -17.600 6.638 6.171 1.00 0.00 C ATOM 283 NH1 ARG A 22 -16.912 6.836 7.304 1.00 0.00 N ATOM 284 NH2 ARG A 22 -18.754 5.957 6.198 1.00 0.00 N ATOM 0 H ARG A 22 -11.021 6.229 7.263 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.488 5.860 5.601 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.720 8.054 6.730 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.346 8.666 5.131 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.379 6.489 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.962 6.174 5.820 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.864 8.714 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.806 8.320 3.880 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.684 6.954 4.169 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -16.034 7.355 7.284 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.266 6.467 8.187 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.278 5.807 5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.108 5.588 7.081 1.00 0.00 H new ATOM 298 N GLU A 23 -10.914 8.567 4.513 1.00 0.00 N ATOM 299 CA GLU A 23 -10.093 9.092 3.435 1.00 0.00 C ATOM 300 C GLU A 23 -8.903 8.166 3.174 1.00 0.00 C ATOM 301 O GLU A 23 -8.445 8.042 2.039 1.00 0.00 O ATOM 302 CB GLU A 23 -9.622 10.514 3.747 1.00 0.00 C ATOM 303 CG GLU A 23 -9.489 11.341 2.466 1.00 0.00 C ATOM 304 CD GLU A 23 -9.917 12.790 2.702 1.00 0.00 C ATOM 305 OE1 GLU A 23 -11.031 12.973 3.241 1.00 0.00 O ATOM 306 OE2 GLU A 23 -9.122 13.684 2.339 1.00 0.00 O ATOM 0 H GLU A 23 -11.100 9.227 5.268 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.700 9.135 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.329 10.995 4.423 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.662 10.478 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.456 11.315 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.102 10.901 1.679 1.00 0.00 H new ATOM 313 N ILE A 24 -8.437 7.539 4.244 1.00 0.00 N ATOM 314 CA ILE A 24 -7.309 6.627 4.145 1.00 0.00 C ATOM 315 C ILE A 24 -7.719 5.403 3.325 1.00 0.00 C ATOM 316 O ILE A 24 -7.088 5.086 2.318 1.00 0.00 O ATOM 317 CB ILE A 24 -6.774 6.284 5.537 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.217 7.528 6.232 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.742 5.157 5.465 1.00 0.00 C ATOM 320 CD1 ILE A 24 -5.832 7.220 7.681 1.00 0.00 C ATOM 0 H ILE A 24 -8.819 7.644 5.184 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.481 7.101 3.618 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.605 5.922 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.344 7.892 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.961 8.325 6.211 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.378 4.933 6.468 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.205 4.267 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.907 5.468 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.439 8.121 8.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.712 6.879 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.071 6.440 7.697 1.00 0.00 H new ATOM 332 N LYS A 25 -8.774 4.747 3.786 1.00 0.00 N ATOM 333 CA LYS A 25 -9.276 3.564 3.107 1.00 0.00 C ATOM 334 C LYS A 25 -9.195 3.777 1.594 1.00 0.00 C ATOM 335 O LYS A 25 -8.486 3.051 0.899 1.00 0.00 O ATOM 336 CB LYS A 25 -10.680 3.216 3.605 1.00 0.00 C ATOM 337 CG LYS A 25 -10.629 2.112 4.663 1.00 0.00 C ATOM 338 CD LYS A 25 -12.032 1.594 4.984 1.00 0.00 C ATOM 339 CE LYS A 25 -12.772 2.557 5.915 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.754 2.049 7.305 1.00 0.00 N ATOM 0 H LYS A 25 -9.295 5.012 4.622 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.656 2.698 3.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.152 4.105 4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.297 2.893 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.007 1.291 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.162 2.495 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.597 1.469 4.061 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.963 0.612 5.451 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.306 3.541 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.802 2.678 5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.502 2.822 7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.695 1.682 7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.052 1.286 7.387 1.00 0.00 H new ATOM 354 N SER A 26 -9.931 4.776 1.129 1.00 0.00 N ATOM 355 CA SER A 26 -9.951 5.093 -0.289 1.00 0.00 C ATOM 356 C SER A 26 -8.549 4.936 -0.880 1.00 0.00 C ATOM 357 O SER A 26 -8.368 4.244 -1.881 1.00 0.00 O ATOM 358 CB SER A 26 -10.473 6.511 -0.528 1.00 0.00 C ATOM 359 OG SER A 26 -11.268 6.978 0.558 1.00 0.00 O ATOM 0 H SER A 26 -10.518 5.376 1.709 1.00 0.00 H new ATOM 0 HA SER A 26 -10.627 4.397 -0.786 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.631 7.187 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.064 6.530 -1.444 1.00 0.00 H new ATOM 0 HG SER A 26 -10.689 7.385 1.236 1.00 0.00 H new ATOM 365 N GLN A 27 -7.593 5.589 -0.236 1.00 0.00 N ATOM 366 CA GLN A 27 -6.213 5.531 -0.686 1.00 0.00 C ATOM 367 C GLN A 27 -5.716 4.084 -0.687 1.00 0.00 C ATOM 368 O GLN A 27 -5.088 3.640 -1.648 1.00 0.00 O ATOM 369 CB GLN A 27 -5.316 6.418 0.180 1.00 0.00 C ATOM 370 CG GLN A 27 -5.589 7.900 -0.087 1.00 0.00 C ATOM 371 CD GLN A 27 -4.874 8.782 0.938 1.00 0.00 C ATOM 372 OE1 GLN A 27 -3.666 8.732 1.105 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.685 9.592 1.614 1.00 0.00 N ATOM 0 H GLN A 27 -7.747 6.161 0.594 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.168 5.911 -1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.488 6.197 1.233 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.269 6.194 -0.026 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.255 8.160 -1.092 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.662 8.089 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.687 9.584 1.425 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.304 10.221 2.321 1.00 0.00 H new ATOM 382 N GLN A 28 -6.014 3.388 0.400 1.00 0.00 N ATOM 383 CA GLN A 28 -5.606 2.001 0.537 1.00 0.00 C ATOM 384 C GLN A 28 -6.273 1.143 -0.540 1.00 0.00 C ATOM 385 O GLN A 28 -5.733 0.112 -0.940 1.00 0.00 O ATOM 386 CB GLN A 28 -5.924 1.470 1.936 1.00 0.00 C ATOM 387 CG GLN A 28 -5.397 2.419 3.015 1.00 0.00 C ATOM 388 CD GLN A 28 -5.412 1.748 4.390 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.490 1.050 4.779 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.508 1.997 5.101 1.00 0.00 N ATOM 0 H GLN A 28 -6.534 3.760 1.195 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.526 1.946 0.401 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.002 1.350 2.047 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.478 0.484 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.381 2.728 2.768 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.007 3.322 3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.242 2.591 4.715 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.614 1.594 6.032 1.00 0.00 H new ATOM 399 N SER A 29 -7.437 1.599 -0.978 1.00 0.00 N ATOM 400 CA SER A 29 -8.184 0.886 -2.001 1.00 0.00 C ATOM 401 C SER A 29 -7.693 1.297 -3.390 1.00 0.00 C ATOM 402 O SER A 29 -7.478 0.448 -4.253 1.00 0.00 O ATOM 403 CB SER A 29 -9.685 1.147 -1.869 1.00 0.00 C ATOM 404 OG SER A 29 -10.397 -0.019 -1.465 1.00 0.00 O ATOM 0 H SER A 29 -7.882 2.454 -0.643 1.00 0.00 H new ATOM 0 HA SER A 29 -8.016 -0.182 -1.865 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.852 1.943 -1.143 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.077 1.498 -2.823 1.00 0.00 H new ATOM 0 HG SER A 29 -11.352 0.190 -1.391 1.00 0.00 H new ATOM 410 N GLU A 30 -7.529 2.601 -3.563 1.00 0.00 N ATOM 411 CA GLU A 30 -7.068 3.136 -4.832 1.00 0.00 C ATOM 412 C GLU A 30 -5.690 2.567 -5.179 1.00 0.00 C ATOM 413 O GLU A 30 -5.511 1.966 -6.237 1.00 0.00 O ATOM 414 CB GLU A 30 -7.038 4.665 -4.805 1.00 0.00 C ATOM 415 CG GLU A 30 -8.080 5.251 -5.760 1.00 0.00 C ATOM 416 CD GLU A 30 -7.821 6.738 -6.009 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.991 7.029 -6.897 1.00 0.00 O ATOM 418 OE2 GLU A 30 -8.458 7.551 -5.305 1.00 0.00 O ATOM 0 H GLU A 30 -7.708 3.303 -2.844 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.771 2.833 -5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.229 5.018 -3.792 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.045 5.018 -5.084 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.056 4.711 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.078 5.117 -5.342 1.00 0.00 H new ATOM 425 N VAL A 31 -4.752 2.776 -4.266 1.00 0.00 N ATOM 426 CA VAL A 31 -3.397 2.292 -4.462 1.00 0.00 C ATOM 427 C VAL A 31 -3.444 0.867 -5.018 1.00 0.00 C ATOM 428 O VAL A 31 -2.922 0.602 -6.100 1.00 0.00 O ATOM 429 CB VAL A 31 -2.609 2.397 -3.154 1.00 0.00 C ATOM 430 CG1 VAL A 31 -1.277 1.652 -3.255 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.391 3.860 -2.762 1.00 0.00 C ATOM 0 H VAL A 31 -4.904 3.274 -3.389 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.873 2.909 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.198 1.924 -2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.737 1.742 -2.312 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.464 0.599 -3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.679 2.083 -4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.829 3.907 -1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.833 4.368 -3.548 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.356 4.349 -2.629 1.00 0.00 H new ATOM 441 N THR A 32 -4.074 -0.012 -4.253 1.00 0.00 N ATOM 442 CA THR A 32 -4.196 -1.403 -4.656 1.00 0.00 C ATOM 443 C THR A 32 -4.840 -1.502 -6.040 1.00 0.00 C ATOM 444 O THR A 32 -4.364 -2.246 -6.897 1.00 0.00 O ATOM 445 CB THR A 32 -4.976 -2.143 -3.568 1.00 0.00 C ATOM 446 OG1 THR A 32 -6.168 -1.377 -3.413 1.00 0.00 O ATOM 447 CG2 THR A 32 -4.298 -2.057 -2.199 1.00 0.00 C ATOM 0 H THR A 32 -4.505 0.212 -3.356 1.00 0.00 H new ATOM 0 HA THR A 32 -3.218 -1.875 -4.753 1.00 0.00 H new ATOM 0 HB THR A 32 -5.089 -3.189 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.115 -0.852 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.893 -2.599 -1.464 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.303 -2.499 -2.257 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.214 -1.012 -1.899 1.00 0.00 H new ATOM 455 N ARG A 33 -5.911 -0.743 -6.215 1.00 0.00 N ATOM 456 CA ARG A 33 -6.625 -0.736 -7.481 1.00 0.00 C ATOM 457 C ARG A 33 -5.657 -0.469 -8.635 1.00 0.00 C ATOM 458 O ARG A 33 -5.694 -1.158 -9.653 1.00 0.00 O ATOM 459 CB ARG A 33 -7.723 0.329 -7.488 1.00 0.00 C ATOM 460 CG ARG A 33 -8.815 -0.017 -8.502 1.00 0.00 C ATOM 461 CD ARG A 33 -9.712 1.192 -8.776 1.00 0.00 C ATOM 462 NE ARG A 33 -10.456 0.995 -10.040 1.00 0.00 N ATOM 463 CZ ARG A 33 -9.928 1.173 -11.258 1.00 0.00 C ATOM 464 NH1 ARG A 33 -8.650 1.554 -11.385 1.00 0.00 N ATOM 465 NH2 ARG A 33 -10.679 0.971 -12.350 1.00 0.00 N ATOM 0 H ARG A 33 -6.302 -0.128 -5.501 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.085 -1.716 -7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.159 0.413 -6.493 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.291 1.300 -7.730 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.358 -0.354 -9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.418 -0.843 -8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.411 1.331 -7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.108 2.097 -8.838 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.432 0.705 -9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.079 1.709 -10.554 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.248 1.690 -12.313 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.652 0.682 -12.253 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.277 1.107 -13.278 1.00 0.00 H new ATOM 479 N ILE A 34 -4.812 0.533 -8.437 1.00 0.00 N ATOM 480 CA ILE A 34 -3.836 0.900 -9.449 1.00 0.00 C ATOM 481 C ILE A 34 -2.819 -0.233 -9.604 1.00 0.00 C ATOM 482 O ILE A 34 -2.551 -0.683 -10.717 1.00 0.00 O ATOM 483 CB ILE A 34 -3.204 2.253 -9.117 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.232 3.380 -9.226 1.00 0.00 C ATOM 485 CG2 ILE A 34 -1.974 2.512 -9.990 1.00 0.00 C ATOM 486 CD1 ILE A 34 -3.680 4.684 -8.648 1.00 0.00 C ATOM 0 H ILE A 34 -4.783 1.102 -7.591 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.320 1.029 -10.417 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.864 2.227 -8.082 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.505 3.528 -10.271 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.142 3.099 -8.696 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.544 3.480 -9.734 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.235 1.729 -9.819 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.266 2.511 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.431 5.469 -8.738 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.431 4.539 -7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.784 4.975 -9.197 1.00 0.00 H new ATOM 498 N LEU A 35 -2.280 -0.661 -8.472 1.00 0.00 N ATOM 499 CA LEU A 35 -1.299 -1.732 -8.468 1.00 0.00 C ATOM 500 C LEU A 35 -1.890 -2.962 -9.159 1.00 0.00 C ATOM 501 O LEU A 35 -1.214 -3.620 -9.950 1.00 0.00 O ATOM 502 CB LEU A 35 -0.807 -2.004 -7.045 1.00 0.00 C ATOM 503 CG LEU A 35 0.131 -0.953 -6.447 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.463 -1.281 -4.990 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.391 -0.795 -7.301 1.00 0.00 C ATOM 0 H LEU A 35 -2.504 -0.285 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.415 -1.440 -9.036 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.676 -2.100 -6.394 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.295 -2.966 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.384 0.008 -6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.131 -0.519 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.456 -1.304 -4.404 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.951 -2.254 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.041 -0.042 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.919 -1.747 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.112 -0.482 -8.307 1.00 0.00 H new ATOM 517 N ASP A 36 -3.146 -3.237 -8.837 1.00 0.00 N ATOM 518 CA ASP A 36 -3.835 -4.376 -9.417 1.00 0.00 C ATOM 519 C ASP A 36 -3.873 -4.223 -10.939 1.00 0.00 C ATOM 520 O ASP A 36 -3.471 -5.128 -11.668 1.00 0.00 O ATOM 521 CB ASP A 36 -5.278 -4.461 -8.914 1.00 0.00 C ATOM 522 CG ASP A 36 -5.756 -5.870 -8.557 1.00 0.00 C ATOM 523 OD1 ASP A 36 -4.889 -6.769 -8.510 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.978 -6.016 -8.339 1.00 0.00 O ATOM 0 H ASP A 36 -3.704 -2.690 -8.181 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.298 -5.279 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.378 -3.826 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.938 -4.052 -9.679 1.00 0.00 H new ATOM 529 N GLY A 37 -4.361 -3.070 -11.374 1.00 0.00 N ATOM 530 CA GLY A 37 -4.457 -2.787 -12.796 1.00 0.00 C ATOM 531 C GLY A 37 -3.089 -2.902 -13.471 1.00 0.00 C ATOM 532 O GLY A 37 -2.975 -3.462 -14.560 1.00 0.00 O ATOM 0 H GLY A 37 -4.694 -2.321 -10.767 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.156 -3.481 -13.262 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.857 -1.784 -12.945 1.00 0.00 H new ATOM 536 N LYS A 38 -2.084 -2.361 -12.796 1.00 0.00 N ATOM 537 CA LYS A 38 -0.729 -2.396 -13.317 1.00 0.00 C ATOM 538 C LYS A 38 -0.188 -3.824 -13.225 1.00 0.00 C ATOM 539 O LYS A 38 0.830 -4.147 -13.837 1.00 0.00 O ATOM 540 CB LYS A 38 0.145 -1.360 -12.607 1.00 0.00 C ATOM 541 CG LYS A 38 -0.349 0.060 -12.889 1.00 0.00 C ATOM 542 CD LYS A 38 0.727 0.884 -13.600 1.00 0.00 C ATOM 543 CE LYS A 38 0.382 2.374 -13.574 1.00 0.00 C ATOM 544 NZ LYS A 38 0.394 2.933 -14.945 1.00 0.00 N ATOM 0 H LYS A 38 -2.182 -1.896 -11.893 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.719 -2.119 -14.371 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.135 -1.546 -11.533 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.178 -1.462 -12.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.248 0.021 -13.504 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.625 0.546 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.692 0.722 -13.119 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.825 0.548 -14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.601 2.518 -13.125 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.099 2.908 -12.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.158 3.945 -14.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.340 2.813 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.307 2.434 -15.529 1.00 0.00 H new ATOM 558 N ARG A 39 -0.892 -4.641 -12.455 1.00 0.00 N ATOM 559 CA ARG A 39 -0.495 -6.027 -12.275 1.00 0.00 C ATOM 560 C ARG A 39 0.881 -6.103 -11.610 1.00 0.00 C ATOM 561 O ARG A 39 1.661 -7.012 -11.890 1.00 0.00 O ATOM 562 CB ARG A 39 -0.447 -6.765 -13.614 1.00 0.00 C ATOM 563 CG ARG A 39 -1.858 -7.041 -14.139 1.00 0.00 C ATOM 564 CD ARG A 39 -2.123 -8.544 -14.234 1.00 0.00 C ATOM 565 NE ARG A 39 -3.468 -8.856 -13.700 1.00 0.00 N ATOM 566 CZ ARG A 39 -3.909 -10.097 -13.454 1.00 0.00 C ATOM 567 NH1 ARG A 39 -3.116 -11.150 -13.694 1.00 0.00 N ATOM 568 NH2 ARG A 39 -5.144 -10.285 -12.969 1.00 0.00 N ATOM 0 H ARG A 39 -1.735 -4.370 -11.949 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.238 -6.504 -11.636 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.106 -6.170 -14.341 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.091 -7.705 -13.496 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.592 -6.580 -13.479 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.981 -6.584 -15.121 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.050 -8.869 -15.272 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.365 -9.091 -13.674 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.098 -8.078 -13.507 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.176 -11.007 -14.064 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.452 -12.095 -13.507 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.748 -9.483 -12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.480 -11.230 -12.782 1.00 0.00 H new ATOM 582 N ILE A 40 1.137 -5.135 -10.741 1.00 0.00 N ATOM 583 CA ILE A 40 2.405 -5.081 -10.034 1.00 0.00 C ATOM 584 C ILE A 40 2.404 -6.123 -8.914 1.00 0.00 C ATOM 585 O ILE A 40 1.406 -6.286 -8.213 1.00 0.00 O ATOM 586 CB ILE A 40 2.688 -3.658 -9.550 1.00 0.00 C ATOM 587 CG1 ILE A 40 3.050 -2.742 -10.721 1.00 0.00 C ATOM 588 CG2 ILE A 40 3.766 -3.652 -8.464 1.00 0.00 C ATOM 589 CD1 ILE A 40 3.167 -1.287 -10.263 1.00 0.00 C ATOM 0 H ILE A 40 0.488 -4.383 -10.511 1.00 0.00 H new ATOM 0 HA ILE A 40 3.226 -5.334 -10.704 1.00 0.00 H new ATOM 0 HB ILE A 40 1.777 -3.263 -9.101 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.993 -3.065 -11.162 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.290 -2.822 -11.499 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.948 -2.628 -8.138 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.431 -4.249 -7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.688 -4.074 -8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.425 -0.657 -11.114 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.215 -0.960 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.944 -1.206 -9.503 1.00 0.00 H new ATOM 601 N GLN A 41 3.534 -6.802 -8.779 1.00 0.00 N ATOM 602 CA GLN A 41 3.676 -7.824 -7.756 1.00 0.00 C ATOM 603 C GLN A 41 3.998 -7.181 -6.405 1.00 0.00 C ATOM 604 O GLN A 41 5.065 -6.595 -6.231 1.00 0.00 O ATOM 605 CB GLN A 41 4.747 -8.845 -8.146 1.00 0.00 C ATOM 606 CG GLN A 41 4.139 -10.239 -8.315 1.00 0.00 C ATOM 607 CD GLN A 41 5.095 -11.166 -9.068 1.00 0.00 C ATOM 608 OE1 GLN A 41 5.012 -11.340 -10.273 1.00 0.00 O ATOM 609 NE2 GLN A 41 6.004 -11.750 -8.293 1.00 0.00 N ATOM 0 H GLN A 41 4.360 -6.664 -9.361 1.00 0.00 H new ATOM 0 HA GLN A 41 2.729 -8.356 -7.667 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.226 -8.538 -9.076 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.523 -8.873 -7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.912 -10.662 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.196 -10.165 -8.857 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.018 -11.560 -7.291 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.688 -12.388 -8.701 1.00 0.00 H new ATOM 618 N TYR A 42 3.055 -7.312 -5.484 1.00 0.00 N ATOM 619 CA TYR A 42 3.224 -6.751 -4.154 1.00 0.00 C ATOM 620 C TYR A 42 2.532 -7.619 -3.101 1.00 0.00 C ATOM 621 O TYR A 42 1.899 -8.619 -3.435 1.00 0.00 O ATOM 622 CB TYR A 42 2.553 -5.377 -4.188 1.00 0.00 C ATOM 623 CG TYR A 42 1.024 -5.432 -4.236 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.307 -5.699 -3.088 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.364 -5.215 -5.428 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.132 -5.751 -3.133 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.075 -5.267 -5.474 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.751 -5.532 -4.324 1.00 0.00 C ATOM 629 OH TYR A 42 -3.110 -5.581 -4.367 1.00 0.00 O ATOM 0 H TYR A 42 2.171 -7.799 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 42 4.281 -6.693 -3.893 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.859 -4.813 -3.307 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.914 -4.829 -5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.825 -5.869 -2.155 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.926 -5.006 -6.326 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.706 -5.959 -2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.605 -5.099 -6.400 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.415 -5.404 -5.281 1.00 0.00 H new ATOM 639 N GLN A 43 2.675 -7.203 -1.851 1.00 0.00 N ATOM 640 CA GLN A 43 2.071 -7.929 -0.747 1.00 0.00 C ATOM 641 C GLN A 43 1.389 -6.958 0.218 1.00 0.00 C ATOM 642 O GLN A 43 2.033 -6.059 0.757 1.00 0.00 O ATOM 643 CB GLN A 43 3.111 -8.785 -0.021 1.00 0.00 C ATOM 644 CG GLN A 43 2.473 -10.052 0.555 1.00 0.00 C ATOM 645 CD GLN A 43 3.542 -11.026 1.053 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.569 -11.234 0.429 1.00 0.00 O ATOM 647 NE2 GLN A 43 3.244 -11.610 2.211 1.00 0.00 N ATOM 0 H GLN A 43 3.200 -6.372 -1.579 1.00 0.00 H new ATOM 0 HA GLN A 43 1.313 -8.600 -1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.909 -9.057 -0.711 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.567 -8.206 0.782 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.807 -9.787 1.376 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.863 -10.535 -0.208 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.366 -11.391 2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.894 -12.277 2.628 1.00 0.00 H new ATOM 656 N LEU A 44 0.095 -7.171 0.406 1.00 0.00 N ATOM 657 CA LEU A 44 -0.681 -6.325 1.297 1.00 0.00 C ATOM 658 C LEU A 44 -0.315 -6.647 2.747 1.00 0.00 C ATOM 659 O LEU A 44 -0.660 -7.713 3.256 1.00 0.00 O ATOM 660 CB LEU A 44 -2.175 -6.458 0.996 1.00 0.00 C ATOM 661 CG LEU A 44 -2.935 -5.148 0.779 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.426 -5.031 -0.665 1.00 0.00 C ATOM 663 CD2 LEU A 44 -4.077 -5.004 1.787 1.00 0.00 C ATOM 0 H LEU A 44 -0.436 -7.917 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.438 -5.275 1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.292 -7.075 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.645 -6.995 1.820 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.247 -4.321 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.963 -4.091 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.573 -5.056 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.093 -5.863 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.601 -4.065 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.773 -5.835 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.672 -5.010 2.799 1.00 0.00 H new ATOM 675 N VAL A 45 0.380 -5.708 3.371 1.00 0.00 N ATOM 676 CA VAL A 45 0.797 -5.878 4.753 1.00 0.00 C ATOM 677 C VAL A 45 -0.230 -5.220 5.676 1.00 0.00 C ATOM 678 O VAL A 45 -0.421 -4.005 5.632 1.00 0.00 O ATOM 679 CB VAL A 45 2.212 -5.329 4.944 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.622 -5.373 6.417 1.00 0.00 C ATOM 681 CG2 VAL A 45 3.216 -6.085 4.072 1.00 0.00 C ATOM 0 H VAL A 45 0.665 -4.826 2.945 1.00 0.00 H new ATOM 0 HA VAL A 45 0.836 -6.936 5.013 1.00 0.00 H new ATOM 0 HB VAL A 45 2.213 -4.286 4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.632 -4.977 6.526 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.931 -4.770 7.005 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.596 -6.404 6.771 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.214 -5.675 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.211 -7.141 4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.939 -5.979 3.023 1.00 0.00 H new ATOM 691 N ASP A 46 -0.865 -6.050 6.490 1.00 0.00 N ATOM 692 CA ASP A 46 -1.868 -5.563 7.422 1.00 0.00 C ATOM 693 C ASP A 46 -1.182 -5.117 8.715 1.00 0.00 C ATOM 694 O ASP A 46 -0.740 -5.949 9.507 1.00 0.00 O ATOM 695 CB ASP A 46 -2.872 -6.662 7.775 1.00 0.00 C ATOM 696 CG ASP A 46 -4.012 -6.225 8.696 1.00 0.00 C ATOM 697 OD1 ASP A 46 -3.787 -5.261 9.459 1.00 0.00 O ATOM 698 OD2 ASP A 46 -5.083 -6.866 8.618 1.00 0.00 O ATOM 0 H ASP A 46 -0.705 -7.057 6.524 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.393 -4.733 6.949 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.300 -7.052 6.852 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.336 -7.484 8.250 1.00 0.00 H new ATOM 703 N ILE A 47 -1.114 -3.805 8.889 1.00 0.00 N ATOM 704 CA ILE A 47 -0.490 -3.239 10.073 1.00 0.00 C ATOM 705 C ILE A 47 -1.388 -3.486 11.286 1.00 0.00 C ATOM 706 O ILE A 47 -0.902 -3.824 12.364 1.00 0.00 O ATOM 707 CB ILE A 47 -0.154 -1.763 9.847 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.423 -0.911 9.812 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.694 -1.581 8.586 1.00 0.00 C ATOM 710 CD1 ILE A 47 -1.090 0.559 9.548 1.00 0.00 C ATOM 0 H ILE A 47 -1.481 -3.118 8.230 1.00 0.00 H new ATOM 0 HA ILE A 47 0.461 -3.732 10.275 1.00 0.00 H new ATOM 0 HB ILE A 47 0.443 -1.416 10.690 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.092 -1.281 9.035 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.953 -1.003 10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.919 -0.523 8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.624 -2.139 8.689 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.143 -1.950 7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.010 1.143 9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.440 0.933 10.339 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.582 0.650 8.588 1.00 0.00 H new ATOM 722 N SER A 48 -2.683 -3.307 11.070 1.00 0.00 N ATOM 723 CA SER A 48 -3.654 -3.507 12.132 1.00 0.00 C ATOM 724 C SER A 48 -3.402 -4.847 12.827 1.00 0.00 C ATOM 725 O SER A 48 -3.541 -4.954 14.044 1.00 0.00 O ATOM 726 CB SER A 48 -5.084 -3.451 11.590 1.00 0.00 C ATOM 727 OG SER A 48 -5.921 -4.434 12.190 1.00 0.00 O ATOM 0 H SER A 48 -3.082 -3.026 10.175 1.00 0.00 H new ATOM 0 HA SER A 48 -3.537 -2.701 12.857 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.501 -2.460 11.770 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.068 -3.598 10.510 1.00 0.00 H new ATOM 0 HG SER A 48 -6.825 -4.364 11.819 1.00 0.00 H new ATOM 733 N GLN A 49 -3.036 -5.834 12.022 1.00 0.00 N ATOM 734 CA GLN A 49 -2.764 -7.162 12.545 1.00 0.00 C ATOM 735 C GLN A 49 -1.734 -7.088 13.673 1.00 0.00 C ATOM 736 O GLN A 49 -1.995 -7.540 14.787 1.00 0.00 O ATOM 737 CB GLN A 49 -2.293 -8.102 11.433 1.00 0.00 C ATOM 738 CG GLN A 49 -3.481 -8.776 10.744 1.00 0.00 C ATOM 739 CD GLN A 49 -3.050 -9.445 9.437 1.00 0.00 C ATOM 740 OE1 GLN A 49 -1.880 -9.692 9.193 1.00 0.00 O ATOM 741 NE2 GLN A 49 -4.056 -9.724 8.614 1.00 0.00 N ATOM 0 H GLN A 49 -2.922 -5.741 11.013 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.690 -7.568 12.952 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.713 -7.542 10.700 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.631 -8.861 11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.918 -9.520 11.410 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.255 -8.036 10.540 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.013 -9.490 8.880 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.871 -10.172 7.716 1.00 0.00 H new ATOM 750 N ASP A 50 -0.585 -6.514 13.346 1.00 0.00 N ATOM 751 CA ASP A 50 0.485 -6.375 14.319 1.00 0.00 C ATOM 752 C ASP A 50 0.741 -4.889 14.580 1.00 0.00 C ATOM 753 O ASP A 50 1.197 -4.169 13.693 1.00 0.00 O ATOM 754 CB ASP A 50 1.785 -6.994 13.800 1.00 0.00 C ATOM 755 CG ASP A 50 2.402 -8.058 14.711 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.617 -8.723 15.420 1.00 0.00 O ATOM 757 OD2 ASP A 50 3.646 -8.180 14.677 1.00 0.00 O ATOM 0 H ASP A 50 -0.372 -6.140 12.421 1.00 0.00 H new ATOM 0 HA ASP A 50 0.180 -6.888 15.231 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.594 -7.439 12.824 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.514 -6.198 13.650 1.00 0.00 H new ATOM 762 N ASN A 51 0.437 -4.474 15.801 1.00 0.00 N ATOM 763 CA ASN A 51 0.628 -3.087 16.189 1.00 0.00 C ATOM 764 C ASN A 51 2.051 -2.653 15.831 1.00 0.00 C ATOM 765 O ASN A 51 2.272 -1.513 15.426 1.00 0.00 O ATOM 766 CB ASN A 51 0.445 -2.908 17.698 1.00 0.00 C ATOM 767 CG ASN A 51 -0.936 -3.390 18.144 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.949 -2.747 17.921 1.00 0.00 O ATOM 769 ND2 ASN A 51 -0.921 -4.555 18.785 1.00 0.00 N ATOM 0 H ASN A 51 0.060 -5.074 16.535 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.111 -2.484 15.661 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.217 -3.464 18.230 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.570 -1.858 17.961 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.793 -4.962 19.123 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.038 -5.041 18.938 1.00 0.00 H new ATOM 776 N ALA A 52 2.978 -3.586 15.992 1.00 0.00 N ATOM 777 CA ALA A 52 4.373 -3.314 15.690 1.00 0.00 C ATOM 778 C ALA A 52 4.475 -2.673 14.304 1.00 0.00 C ATOM 779 O ALA A 52 5.075 -1.611 14.150 1.00 0.00 O ATOM 780 CB ALA A 52 5.180 -4.609 15.795 1.00 0.00 C ATOM 0 H ALA A 52 2.790 -4.531 16.328 1.00 0.00 H new ATOM 0 HA ALA A 52 4.791 -2.610 16.410 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.226 -4.405 15.568 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.099 -5.007 16.806 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.791 -5.339 15.085 1.00 0.00 H new ATOM 786 N LEU A 53 3.880 -3.347 13.331 1.00 0.00 N ATOM 787 CA LEU A 53 3.896 -2.857 11.963 1.00 0.00 C ATOM 788 C LEU A 53 3.664 -1.345 11.965 1.00 0.00 C ATOM 789 O LEU A 53 4.478 -0.587 11.439 1.00 0.00 O ATOM 790 CB LEU A 53 2.895 -3.632 11.105 1.00 0.00 C ATOM 791 CG LEU A 53 3.254 -5.089 10.807 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.998 -5.961 10.744 1.00 0.00 C ATOM 793 CD2 LEU A 53 4.092 -5.198 9.531 1.00 0.00 C ATOM 0 H LEU A 53 3.384 -4.228 13.463 1.00 0.00 H new ATOM 0 HA LEU A 53 4.871 -3.029 11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.926 -3.612 11.605 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.776 -3.107 10.157 1.00 0.00 H new ATOM 0 HG LEU A 53 3.866 -5.464 11.627 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.281 -6.992 10.531 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.477 -5.918 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.340 -5.595 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.333 -6.244 9.342 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.527 -4.799 8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.014 -4.629 9.651 1.00 0.00 H new ATOM 805 N ARG A 54 2.548 -0.950 12.562 1.00 0.00 N ATOM 806 CA ARG A 54 2.198 0.458 12.639 1.00 0.00 C ATOM 807 C ARG A 54 3.449 1.303 12.887 1.00 0.00 C ATOM 808 O ARG A 54 3.634 2.344 12.259 1.00 0.00 O ATOM 809 CB ARG A 54 1.188 0.714 13.759 1.00 0.00 C ATOM 810 CG ARG A 54 0.503 2.070 13.580 1.00 0.00 C ATOM 811 CD ARG A 54 -0.862 2.090 14.271 1.00 0.00 C ATOM 812 NE ARG A 54 -0.883 3.131 15.322 1.00 0.00 N ATOM 813 CZ ARG A 54 -0.317 2.991 16.529 1.00 0.00 C ATOM 814 NH1 ARG A 54 0.317 1.853 16.844 1.00 0.00 N ATOM 815 NH2 ARG A 54 -0.385 3.989 17.421 1.00 0.00 N ATOM 0 H ARG A 54 1.875 -1.581 12.997 1.00 0.00 H new ATOM 0 HA ARG A 54 1.747 0.740 11.687 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.439 -0.078 13.766 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.694 0.683 14.724 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.134 2.858 13.991 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.380 2.282 12.518 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.646 2.285 13.539 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.071 1.114 14.710 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.358 4.010 15.115 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.369 1.093 16.165 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.748 1.747 17.762 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.867 4.855 17.181 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.046 3.882 18.339 1.00 0.00 H new ATOM 829 N ASP A 55 4.276 0.823 13.805 1.00 0.00 N ATOM 830 CA ASP A 55 5.505 1.521 14.144 1.00 0.00 C ATOM 831 C ASP A 55 6.557 1.245 13.068 1.00 0.00 C ATOM 832 O ASP A 55 7.022 2.166 12.398 1.00 0.00 O ATOM 833 CB ASP A 55 6.061 1.038 15.484 1.00 0.00 C ATOM 834 CG ASP A 55 6.934 2.052 16.226 1.00 0.00 C ATOM 835 OD1 ASP A 55 8.129 2.141 15.868 1.00 0.00 O ATOM 836 OD2 ASP A 55 6.387 2.716 17.133 1.00 0.00 O ATOM 0 H ASP A 55 4.119 -0.041 14.324 1.00 0.00 H new ATOM 0 HA ASP A 55 5.281 2.586 14.210 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.226 0.760 16.128 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.646 0.134 15.313 1.00 0.00 H new ATOM 841 N GLU A 56 6.901 -0.027 12.935 1.00 0.00 N ATOM 842 CA GLU A 56 7.890 -0.436 11.952 1.00 0.00 C ATOM 843 C GLU A 56 7.717 0.366 10.660 1.00 0.00 C ATOM 844 O GLU A 56 8.695 0.844 10.087 1.00 0.00 O ATOM 845 CB GLU A 56 7.803 -1.939 11.680 1.00 0.00 C ATOM 846 CG GLU A 56 8.370 -2.742 12.853 1.00 0.00 C ATOM 847 CD GLU A 56 8.188 -4.245 12.627 1.00 0.00 C ATOM 848 OE1 GLU A 56 7.072 -4.625 12.213 1.00 0.00 O ATOM 849 OE2 GLU A 56 9.169 -4.979 12.874 1.00 0.00 O ATOM 0 H GLU A 56 6.513 -0.788 13.492 1.00 0.00 H new ATOM 0 HA GLU A 56 8.882 -0.230 12.355 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.764 -2.222 11.509 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.353 -2.180 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.429 -2.515 12.976 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.871 -2.446 13.776 1.00 0.00 H new ATOM 856 N MET A 57 6.467 0.488 10.240 1.00 0.00 N ATOM 857 CA MET A 57 6.154 1.223 9.027 1.00 0.00 C ATOM 858 C MET A 57 6.430 2.718 9.204 1.00 0.00 C ATOM 859 O MET A 57 6.986 3.360 8.315 1.00 0.00 O ATOM 860 CB MET A 57 4.680 1.016 8.669 1.00 0.00 C ATOM 861 CG MET A 57 4.363 1.600 7.291 1.00 0.00 C ATOM 862 SD MET A 57 4.119 3.363 7.417 1.00 0.00 S ATOM 863 CE MET A 57 2.586 3.400 8.332 1.00 0.00 C ATOM 0 H MET A 57 5.659 0.090 10.718 1.00 0.00 H new ATOM 0 HA MET A 57 6.789 0.847 8.224 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.446 -0.048 8.679 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.049 1.489 9.422 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.178 1.386 6.600 1.00 0.00 H new ATOM 0 HG3 MET A 57 3.468 1.129 6.884 1.00 0.00 H new ATOM 0 HE1 MET A 57 2.022 4.292 8.061 1.00 0.00 H new ATOM 0 HE2 MET A 57 1.999 2.513 8.094 1.00 0.00 H new ATOM 0 HE3 MET A 57 2.800 3.418 9.401 1.00 0.00 H new ATOM 873 N ARG A 58 6.030 3.228 10.360 1.00 0.00 N ATOM 874 CA ARG A 58 6.228 4.634 10.666 1.00 0.00 C ATOM 875 C ARG A 58 7.713 4.992 10.582 1.00 0.00 C ATOM 876 O ARG A 58 8.071 6.060 10.088 1.00 0.00 O ATOM 877 CB ARG A 58 5.707 4.972 12.064 1.00 0.00 C ATOM 878 CG ARG A 58 4.280 5.520 12.000 1.00 0.00 C ATOM 879 CD ARG A 58 3.439 4.997 13.167 1.00 0.00 C ATOM 880 NE ARG A 58 2.060 4.718 12.710 1.00 0.00 N ATOM 881 CZ ARG A 58 1.087 5.638 12.652 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.337 6.901 13.020 1.00 0.00 N ATOM 883 NH2 ARG A 58 -0.136 5.294 12.225 1.00 0.00 N ATOM 0 H ARG A 58 5.570 2.692 11.096 1.00 0.00 H new ATOM 0 HA ARG A 58 5.669 5.215 9.932 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.730 4.080 12.690 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.362 5.707 12.532 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.304 6.609 12.024 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.818 5.232 11.056 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.888 4.090 13.572 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.423 5.731 13.972 1.00 0.00 H new ATOM 0 HE ARG A 58 1.836 3.766 12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.268 7.163 13.344 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.597 7.601 12.976 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.326 4.332 11.944 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.876 5.994 12.181 1.00 0.00 H new ATOM 897 N THR A 59 8.538 4.077 11.072 1.00 0.00 N ATOM 898 CA THR A 59 9.976 4.283 11.058 1.00 0.00 C ATOM 899 C THR A 59 10.513 4.202 9.628 1.00 0.00 C ATOM 900 O THR A 59 11.182 5.121 9.159 1.00 0.00 O ATOM 901 CB THR A 59 10.609 3.260 12.004 1.00 0.00 C ATOM 902 OG1 THR A 59 10.526 3.875 13.286 1.00 0.00 O ATOM 903 CG2 THR A 59 12.111 3.094 11.766 1.00 0.00 C ATOM 0 H THR A 59 8.238 3.192 11.481 1.00 0.00 H new ATOM 0 HA THR A 59 10.236 5.280 11.413 1.00 0.00 H new ATOM 0 HB THR A 59 10.114 2.297 11.881 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.913 3.279 13.961 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.511 2.357 12.463 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.282 2.757 10.744 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.612 4.050 11.921 1.00 0.00 H new ATOM 911 N LEU A 60 10.200 3.092 8.974 1.00 0.00 N ATOM 912 CA LEU A 60 10.643 2.879 7.607 1.00 0.00 C ATOM 913 C LEU A 60 10.289 4.106 6.764 1.00 0.00 C ATOM 914 O LEU A 60 11.158 4.692 6.120 1.00 0.00 O ATOM 915 CB LEU A 60 10.073 1.570 7.057 1.00 0.00 C ATOM 916 CG LEU A 60 10.647 0.285 7.656 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.718 -0.903 7.398 1.00 0.00 C ATOM 918 CD2 LEU A 60 12.065 0.026 7.142 1.00 0.00 C ATOM 0 H LEU A 60 9.645 2.331 9.366 1.00 0.00 H new ATOM 0 HA LEU A 60 11.727 2.768 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.995 1.571 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.237 1.550 5.980 1.00 0.00 H new ATOM 0 HG LEU A 60 10.714 0.412 8.736 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.150 -1.804 7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.746 -0.710 7.852 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.596 -1.043 6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.450 -0.893 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.046 -0.073 6.057 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.710 0.859 7.419 1.00 0.00 H new ATOM 930 N ALA A 61 9.012 4.458 6.795 1.00 0.00 N ATOM 931 CA ALA A 61 8.533 5.604 6.042 1.00 0.00 C ATOM 932 C ALA A 61 9.397 6.823 6.372 1.00 0.00 C ATOM 933 O ALA A 61 9.844 7.533 5.472 1.00 0.00 O ATOM 934 CB ALA A 61 7.053 5.837 6.353 1.00 0.00 C ATOM 0 H ALA A 61 8.294 3.969 7.330 1.00 0.00 H new ATOM 0 HA ALA A 61 8.616 5.421 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.693 6.697 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.479 4.954 6.074 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.931 6.027 7.419 1.00 0.00 H new ATOM 940 N GLY A 62 9.606 7.028 7.664 1.00 0.00 N ATOM 941 CA GLY A 62 10.408 8.149 8.124 1.00 0.00 C ATOM 942 C GLY A 62 9.539 9.196 8.822 1.00 0.00 C ATOM 943 O GLY A 62 9.793 10.394 8.710 1.00 0.00 O ATOM 0 H GLY A 62 9.234 6.437 8.407 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.177 7.793 8.810 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.922 8.604 7.278 1.00 0.00 H new ATOM 947 N ASN A 63 8.530 8.706 9.528 1.00 0.00 N ATOM 948 CA ASN A 63 7.621 9.584 10.244 1.00 0.00 C ATOM 949 C ASN A 63 6.772 8.755 11.210 1.00 0.00 C ATOM 950 O ASN A 63 6.161 7.765 10.812 1.00 0.00 O ATOM 951 CB ASN A 63 6.674 10.302 9.281 1.00 0.00 C ATOM 952 CG ASN A 63 6.330 11.702 9.792 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.171 12.435 10.285 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.050 12.032 9.646 1.00 0.00 N ATOM 0 H ASN A 63 8.322 7.712 9.619 1.00 0.00 H new ATOM 0 HA ASN A 63 8.219 10.322 10.779 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.136 10.374 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.760 9.720 9.162 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.721 12.946 9.955 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.398 11.371 9.225 1.00 0.00 H new ATOM 961 N PRO A 64 6.762 9.201 12.495 1.00 0.00 N ATOM 962 CA PRO A 64 5.999 8.511 13.521 1.00 0.00 C ATOM 963 C PRO A 64 4.503 8.794 13.374 1.00 0.00 C ATOM 964 O PRO A 64 3.672 7.950 13.708 1.00 0.00 O ATOM 965 CB PRO A 64 6.571 9.008 14.838 1.00 0.00 C ATOM 966 CG PRO A 64 7.310 10.296 14.512 1.00 0.00 C ATOM 967 CD PRO A 64 7.475 10.369 13.003 1.00 0.00 C ATOM 0 HA PRO A 64 6.083 7.427 13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.779 9.186 15.566 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.245 8.271 15.274 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.753 11.159 14.877 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.283 10.313 15.004 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.057 11.293 12.603 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.527 10.346 12.718 1.00 0.00 H new ATOM 975 N LYS A 65 4.204 9.985 12.875 1.00 0.00 N ATOM 976 CA LYS A 65 2.822 10.389 12.681 1.00 0.00 C ATOM 977 C LYS A 65 2.433 10.173 11.217 1.00 0.00 C ATOM 978 O LYS A 65 1.869 11.062 10.583 1.00 0.00 O ATOM 979 CB LYS A 65 2.611 11.825 13.167 1.00 0.00 C ATOM 980 CG LYS A 65 2.208 11.850 14.643 1.00 0.00 C ATOM 981 CD LYS A 65 0.686 11.827 14.796 1.00 0.00 C ATOM 982 CE LYS A 65 0.199 10.443 15.229 1.00 0.00 C ATOM 983 NZ LYS A 65 -0.499 9.767 14.113 1.00 0.00 N ATOM 0 H LYS A 65 4.895 10.683 12.599 1.00 0.00 H new ATOM 0 HA LYS A 65 2.156 9.771 13.283 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.527 12.399 13.027 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.839 12.306 12.567 1.00 0.00 H new ATOM 0 HG2 LYS A 65 2.642 10.992 15.157 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.611 12.744 15.119 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.380 12.571 15.532 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.218 12.102 13.851 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.045 9.839 15.556 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.473 10.538 16.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.508 8.741 14.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.477 10.117 14.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.004 9.968 13.221 1.00 0.00 H new ATOM 997 N ALA A 66 2.751 8.985 10.723 1.00 0.00 N ATOM 998 CA ALA A 66 2.442 8.640 9.346 1.00 0.00 C ATOM 999 C ALA A 66 1.166 7.796 9.311 1.00 0.00 C ATOM 1000 O ALA A 66 0.635 7.422 10.356 1.00 0.00 O ATOM 1001 CB ALA A 66 3.636 7.917 8.720 1.00 0.00 C ATOM 0 H ALA A 66 3.220 8.250 11.252 1.00 0.00 H new ATOM 0 HA ALA A 66 2.260 9.539 8.757 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.404 7.658 7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.509 8.569 8.743 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.847 7.008 9.283 1.00 0.00 H new ATOM 1007 N THR A 67 0.710 7.521 8.097 1.00 0.00 N ATOM 1008 CA THR A 67 -0.494 6.729 7.912 1.00 0.00 C ATOM 1009 C THR A 67 -0.481 6.053 6.539 1.00 0.00 C ATOM 1010 O THR A 67 0.250 6.472 5.644 1.00 0.00 O ATOM 1011 CB THR A 67 -1.701 7.644 8.128 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.424 8.781 7.315 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.760 8.208 9.549 1.00 0.00 C ATOM 0 H THR A 67 1.153 7.833 7.233 1.00 0.00 H new ATOM 0 HA THR A 67 -0.550 5.918 8.638 1.00 0.00 H new ATOM 0 HB THR A 67 -2.617 7.093 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.158 9.426 7.394 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.635 8.851 9.649 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.828 7.388 10.263 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.859 8.788 9.748 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.322 4.991 6.413 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.415 4.254 5.165 1.00 0.00 C ATOM 1023 C PRO A 68 -2.201 5.045 4.118 1.00 0.00 C ATOM 1024 O PRO A 68 -2.856 6.034 4.445 1.00 0.00 O ATOM 1025 CB PRO A 68 -2.076 2.936 5.535 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.748 3.170 6.878 1.00 0.00 C ATOM 1027 CD PRO A 68 -2.203 4.467 7.453 1.00 0.00 C ATOM 0 HA PRO A 68 -0.442 4.081 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.804 2.639 4.780 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.340 2.135 5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.830 3.231 6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.548 2.339 7.555 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.006 5.167 7.682 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.659 4.291 8.381 1.00 0.00 H new ATOM 1035 N PRO A 69 -2.109 4.568 2.848 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.312 3.391 2.547 1.00 0.00 C ATOM 1037 C PRO A 69 0.182 3.720 2.569 1.00 0.00 C ATOM 1038 O PRO A 69 0.569 4.847 2.876 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.797 2.925 1.184 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.514 4.115 0.568 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.758 5.134 1.669 1.00 0.00 C ATOM 0 HA PRO A 69 -1.432 2.601 3.289 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.962 2.606 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.468 2.071 1.279 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.913 4.552 -0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.458 3.802 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.334 6.105 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.824 5.286 1.838 1.00 0.00 H new ATOM 1049 N GLN A 70 0.982 2.717 2.239 1.00 0.00 N ATOM 1050 CA GLN A 70 2.425 2.886 2.217 1.00 0.00 C ATOM 1051 C GLN A 70 3.070 1.827 1.320 1.00 0.00 C ATOM 1052 O GLN A 70 2.949 0.631 1.581 1.00 0.00 O ATOM 1053 CB GLN A 70 3.005 2.833 3.632 1.00 0.00 C ATOM 1054 CG GLN A 70 3.828 4.087 3.935 1.00 0.00 C ATOM 1055 CD GLN A 70 2.974 5.147 4.633 1.00 0.00 C ATOM 1056 OE1 GLN A 70 1.987 4.854 5.288 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.408 6.392 4.458 1.00 0.00 N ATOM 0 H GLN A 70 0.658 1.784 1.985 1.00 0.00 H new ATOM 0 HA GLN A 70 2.650 3.869 1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.196 2.741 4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.632 1.948 3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.677 3.825 4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.233 4.493 3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 70 4.242 6.567 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.907 7.171 4.884 1.00 0.00 H new ATOM 1066 N ILE A 71 3.741 2.305 0.283 1.00 0.00 N ATOM 1067 CA ILE A 71 4.405 1.414 -0.654 1.00 0.00 C ATOM 1068 C ILE A 71 5.866 1.239 -0.235 1.00 0.00 C ATOM 1069 O ILE A 71 6.547 2.214 0.078 1.00 0.00 O ATOM 1070 CB ILE A 71 4.232 1.920 -2.088 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.755 2.147 -2.415 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.901 0.973 -3.087 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.401 3.634 -2.345 1.00 0.00 C ATOM 0 H ILE A 71 3.839 3.298 0.070 1.00 0.00 H new ATOM 0 HA ILE A 71 3.946 0.426 -0.632 1.00 0.00 H new ATOM 0 HB ILE A 71 4.732 2.885 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.536 1.764 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.134 1.588 -1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.764 1.355 -4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.966 0.905 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.450 -0.016 -3.009 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.345 3.768 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.598 4.008 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.007 4.186 -3.063 1.00 0.00 H new ATOM 1085 N VAL A 72 6.305 -0.011 -0.244 1.00 0.00 N ATOM 1086 CA VAL A 72 7.673 -0.327 0.130 1.00 0.00 C ATOM 1087 C VAL A 72 8.234 -1.370 -0.838 1.00 0.00 C ATOM 1088 O VAL A 72 7.515 -2.268 -1.275 1.00 0.00 O ATOM 1089 CB VAL A 72 7.724 -0.779 1.591 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.159 -0.759 2.121 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.805 0.079 2.463 1.00 0.00 C ATOM 0 H VAL A 72 5.737 -0.817 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 72 8.304 0.559 0.055 1.00 0.00 H new ATOM 0 HB VAL A 72 7.364 -1.807 1.636 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.167 -1.084 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.776 -1.432 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.557 0.253 2.054 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.860 -0.263 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.120 1.121 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.779 -0.009 2.106 1.00 0.00 H new ATOM 1101 N ASN A 73 9.514 -1.217 -1.146 1.00 0.00 N ATOM 1102 CA ASN A 73 10.180 -2.134 -2.055 1.00 0.00 C ATOM 1103 C ASN A 73 11.324 -2.833 -1.319 1.00 0.00 C ATOM 1104 O ASN A 73 12.368 -2.231 -1.073 1.00 0.00 O ATOM 1105 CB ASN A 73 10.773 -1.389 -3.252 1.00 0.00 C ATOM 1106 CG ASN A 73 10.953 -2.327 -4.448 1.00 0.00 C ATOM 1107 OD1 ASN A 73 11.622 -3.344 -4.377 1.00 0.00 O ATOM 1108 ND2 ASN A 73 10.319 -1.929 -5.547 1.00 0.00 N ATOM 0 H ASN A 73 10.107 -0.471 -0.782 1.00 0.00 H new ATOM 0 HA ASN A 73 9.442 -2.854 -2.408 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.120 -0.561 -3.529 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.735 -0.957 -2.976 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.376 -2.487 -6.399 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.775 -1.066 -5.538 1.00 0.00 H new ATOM 1115 N GLY A 74 11.089 -4.094 -0.988 1.00 0.00 N ATOM 1116 CA GLY A 74 12.087 -4.882 -0.285 1.00 0.00 C ATOM 1117 C GLY A 74 12.485 -4.213 1.033 1.00 0.00 C ATOM 1118 O GLY A 74 11.932 -4.529 2.085 1.00 0.00 O ATOM 0 H GLY A 74 10.222 -4.590 -1.194 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.695 -5.879 -0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.968 -5.005 -0.915 1.00 0.00 H new ATOM 1122 N ASN A 75 13.441 -3.302 0.931 1.00 0.00 N ATOM 1123 CA ASN A 75 13.920 -2.586 2.101 1.00 0.00 C ATOM 1124 C ASN A 75 13.943 -1.085 1.802 1.00 0.00 C ATOM 1125 O ASN A 75 14.448 -0.297 2.600 1.00 0.00 O ATOM 1126 CB ASN A 75 15.342 -3.016 2.467 1.00 0.00 C ATOM 1127 CG ASN A 75 16.276 -2.907 1.260 1.00 0.00 C ATOM 1128 OD1 ASN A 75 16.539 -1.834 0.742 1.00 0.00 O ATOM 1129 ND2 ASN A 75 16.759 -4.073 0.844 1.00 0.00 N ATOM 0 H ASN A 75 13.897 -3.043 0.056 1.00 0.00 H new ATOM 0 HA ASN A 75 13.250 -2.811 2.931 1.00 0.00 H new ATOM 0 HB2 ASN A 75 15.717 -2.392 3.279 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.332 -4.043 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 75 17.391 -4.107 0.044 1.00 0.00 H new ATOM 0 HD22 ASN A 75 16.497 -4.934 1.324 1.00 0.00 H new ATOM 1136 N HIS A 76 13.389 -0.736 0.650 1.00 0.00 N ATOM 1137 CA HIS A 76 13.339 0.656 0.236 1.00 0.00 C ATOM 1138 C HIS A 76 11.937 1.216 0.484 1.00 0.00 C ATOM 1139 O HIS A 76 10.966 0.463 0.547 1.00 0.00 O ATOM 1140 CB HIS A 76 13.788 0.806 -1.219 1.00 0.00 C ATOM 1141 CG HIS A 76 15.154 0.227 -1.503 1.00 0.00 C ATOM 1142 ND1 HIS A 76 16.326 0.830 -1.080 1.00 0.00 N ATOM 1143 CD2 HIS A 76 15.522 -0.904 -2.171 1.00 0.00 C ATOM 1144 CE1 HIS A 76 17.347 0.086 -1.481 1.00 0.00 C ATOM 1145 NE2 HIS A 76 16.846 -0.987 -2.157 1.00 0.00 N ATOM 0 H HIS A 76 12.971 -1.393 -0.009 1.00 0.00 H new ATOM 0 HA HIS A 76 14.037 1.242 0.834 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.057 0.321 -1.866 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.792 1.864 -1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.850 -1.612 -2.633 1.00 0.00 H new ATOM 0 HE1 HIS A 76 18.392 0.293 -1.304 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.399 -1.731 -2.582 1.00 0.00 H new ATOM 1153 N TYR A 77 11.876 2.532 0.619 1.00 0.00 N ATOM 1154 CA TYR A 77 10.609 3.202 0.859 1.00 0.00 C ATOM 1155 C TYR A 77 10.192 4.039 -0.352 1.00 0.00 C ATOM 1156 O TYR A 77 10.813 5.058 -0.650 1.00 0.00 O ATOM 1157 CB TYR A 77 10.843 4.132 2.051 1.00 0.00 C ATOM 1158 CG TYR A 77 9.691 5.103 2.317 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.397 4.632 2.405 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.946 6.451 2.470 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.313 5.546 2.656 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.862 7.365 2.721 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.599 6.868 2.801 1.00 0.00 C ATOM 1164 OH TYR A 77 6.575 7.731 3.038 1.00 0.00 O ATOM 0 H TYR A 77 12.684 3.153 0.567 1.00 0.00 H new ATOM 0 HA TYR A 77 9.820 2.474 1.045 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.009 3.528 2.943 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.755 4.704 1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.197 3.577 2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.959 6.820 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.296 5.190 2.728 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.048 8.422 2.843 1.00 0.00 H new ATOM 0 HH TYR A 77 6.927 8.642 3.121 1.00 0.00 H new ATOM 1174 N CYS A 78 9.145 3.576 -1.019 1.00 0.00 N ATOM 1175 CA CYS A 78 8.638 4.270 -2.191 1.00 0.00 C ATOM 1176 C CYS A 78 8.099 5.631 -1.749 1.00 0.00 C ATOM 1177 O CYS A 78 8.693 6.666 -2.049 1.00 0.00 O ATOM 1178 CB CYS A 78 7.576 3.445 -2.921 1.00 0.00 C ATOM 1179 SG CYS A 78 8.183 1.740 -3.190 1.00 0.00 S ATOM 0 H CYS A 78 8.634 2.729 -0.770 1.00 0.00 H new ATOM 0 HA CYS A 78 9.446 4.417 -2.907 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.655 3.424 -2.338 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.337 3.910 -3.878 1.00 0.00 H new ATOM 0 HG CYS A 78 9.265 1.773 -3.910 1.00 0.00 H new ATOM 1185 N GLY A 79 6.980 5.587 -1.041 1.00 0.00 N ATOM 1186 CA GLY A 79 6.354 6.805 -0.554 1.00 0.00 C ATOM 1187 C GLY A 79 4.968 6.515 0.025 1.00 0.00 C ATOM 1188 O GLY A 79 4.773 5.508 0.705 1.00 0.00 O ATOM 0 H GLY A 79 6.491 4.727 -0.793 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.983 7.261 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.269 7.525 -1.368 1.00 0.00 H new ATOM 1192 N ASP A 80 4.040 7.415 -0.265 1.00 0.00 N ATOM 1193 CA ASP A 80 2.678 7.269 0.219 1.00 0.00 C ATOM 1194 C ASP A 80 1.729 7.133 -0.974 1.00 0.00 C ATOM 1195 O ASP A 80 2.166 6.855 -2.090 1.00 0.00 O ATOM 1196 CB ASP A 80 2.246 8.493 1.028 1.00 0.00 C ATOM 1197 CG ASP A 80 1.800 9.696 0.195 1.00 0.00 C ATOM 1198 OD1 ASP A 80 2.603 10.119 -0.664 1.00 0.00 O ATOM 1199 OD2 ASP A 80 0.667 10.164 0.435 1.00 0.00 O ATOM 0 H ASP A 80 4.205 8.248 -0.829 1.00 0.00 H new ATOM 0 HA ASP A 80 2.640 6.385 0.855 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.428 8.203 1.687 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.075 8.799 1.665 1.00 0.00 H new ATOM 1204 N TYR A 81 0.449 7.335 -0.698 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.564 7.239 -1.735 1.00 0.00 C ATOM 1206 C TYR A 81 -0.378 8.333 -2.788 1.00 0.00 C ATOM 1207 O TYR A 81 -0.438 8.063 -3.986 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.907 7.447 -1.032 1.00 0.00 C ATOM 1209 CG TYR A 81 -3.039 7.875 -1.968 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.251 9.213 -2.229 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.849 6.922 -2.552 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.316 9.616 -3.110 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.915 7.324 -3.433 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.096 8.652 -3.668 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.102 9.032 -4.501 1.00 0.00 O ATOM 0 H TYR A 81 0.090 7.565 0.229 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.502 6.277 -2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.192 6.520 -0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.786 8.202 -0.256 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.617 9.959 -1.772 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.683 5.874 -2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.491 10.660 -3.323 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.556 6.589 -3.896 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.876 8.446 -4.368 1.00 0.00 H new ATOM 1225 N GLU A 82 -0.154 9.545 -2.302 1.00 0.00 N ATOM 1226 CA GLU A 82 0.041 10.682 -3.186 1.00 0.00 C ATOM 1227 C GLU A 82 1.263 10.455 -4.079 1.00 0.00 C ATOM 1228 O GLU A 82 1.136 10.369 -5.299 1.00 0.00 O ATOM 1229 CB GLU A 82 0.179 11.980 -2.388 1.00 0.00 C ATOM 1230 CG GLU A 82 -1.152 12.369 -1.740 1.00 0.00 C ATOM 1231 CD GLU A 82 -1.409 13.871 -1.876 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -1.191 14.385 -2.994 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -1.819 14.471 -0.859 1.00 0.00 O ATOM 0 H GLU A 82 -0.103 9.765 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.838 10.778 -3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.941 11.859 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.516 12.781 -3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.965 11.813 -2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.142 12.092 -0.686 1.00 0.00 H new ATOM 1240 N LEU A 83 2.418 10.365 -3.436 1.00 0.00 N ATOM 1241 CA LEU A 83 3.661 10.150 -4.157 1.00 0.00 C ATOM 1242 C LEU A 83 3.465 9.028 -5.179 1.00 0.00 C ATOM 1243 O LEU A 83 4.024 9.077 -6.273 1.00 0.00 O ATOM 1244 CB LEU A 83 4.810 9.897 -3.179 1.00 0.00 C ATOM 1245 CG LEU A 83 5.721 11.093 -2.892 1.00 0.00 C ATOM 1246 CD1 LEU A 83 4.939 12.233 -2.237 1.00 0.00 C ATOM 1247 CD2 LEU A 83 6.931 10.671 -2.054 1.00 0.00 C ATOM 0 H LEU A 83 2.519 10.437 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 83 3.938 11.045 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.388 9.552 -2.235 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.422 9.085 -3.571 1.00 0.00 H new ATOM 0 HG LEU A 83 6.102 11.469 -3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.610 13.070 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.139 12.555 -2.903 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.510 11.887 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.562 11.539 -1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.590 10.256 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.503 9.917 -2.595 1.00 0.00 H new ATOM 1259 N PHE A 84 2.670 8.045 -4.785 1.00 0.00 N ATOM 1260 CA PHE A 84 2.393 6.913 -5.654 1.00 0.00 C ATOM 1261 C PHE A 84 1.476 7.319 -6.808 1.00 0.00 C ATOM 1262 O PHE A 84 1.852 7.207 -7.974 1.00 0.00 O ATOM 1263 CB PHE A 84 1.685 5.858 -4.802 1.00 0.00 C ATOM 1264 CG PHE A 84 0.949 4.792 -5.616 1.00 0.00 C ATOM 1265 CD1 PHE A 84 1.626 3.711 -6.090 1.00 0.00 C ATOM 1266 CD2 PHE A 84 -0.381 4.924 -5.865 1.00 0.00 C ATOM 1267 CE1 PHE A 84 0.943 2.722 -6.846 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -1.064 3.935 -6.621 1.00 0.00 C ATOM 1269 CZ PHE A 84 -0.387 2.855 -7.096 1.00 0.00 C ATOM 0 H PHE A 84 2.209 8.008 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 84 3.322 6.535 -6.080 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.420 5.369 -4.163 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.972 6.355 -4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.682 3.605 -5.891 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.918 5.781 -5.488 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.480 1.864 -7.223 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.121 4.040 -6.819 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.906 2.103 -7.672 1.00 0.00 H new ATOM 1279 N VAL A 85 0.289 7.782 -6.444 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.686 8.205 -7.435 1.00 0.00 C ATOM 1281 C VAL A 85 -0.021 9.170 -8.419 1.00 0.00 C ATOM 1282 O VAL A 85 -0.204 9.053 -9.629 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.909 8.807 -6.742 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.820 10.334 -6.701 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -3.203 8.352 -7.419 1.00 0.00 C ATOM 0 H VAL A 85 -0.020 7.873 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.043 7.350 -8.009 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.923 8.444 -5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.702 10.737 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.926 10.632 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.768 10.723 -7.718 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.057 8.795 -6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.200 8.671 -8.461 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.275 7.265 -7.373 1.00 0.00 H new ATOM 1295 N GLU A 86 0.739 10.102 -7.862 1.00 0.00 N ATOM 1296 CA GLU A 86 1.432 11.087 -8.674 1.00 0.00 C ATOM 1297 C GLU A 86 2.177 10.399 -9.820 1.00 0.00 C ATOM 1298 O GLU A 86 1.836 10.585 -10.987 1.00 0.00 O ATOM 1299 CB GLU A 86 2.388 11.925 -7.823 1.00 0.00 C ATOM 1300 CG GLU A 86 1.675 13.146 -7.239 1.00 0.00 C ATOM 1301 CD GLU A 86 2.541 13.832 -6.180 1.00 0.00 C ATOM 1302 OE1 GLU A 86 3.742 14.026 -6.467 1.00 0.00 O ATOM 1303 OE2 GLU A 86 1.982 14.147 -5.107 1.00 0.00 O ATOM 0 H GLU A 86 0.890 10.195 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 86 0.692 11.763 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.792 11.314 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.233 12.249 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.442 13.852 -8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.727 12.841 -6.797 1.00 0.00 H new ATOM 1310 N ALA A 87 3.181 9.619 -9.447 1.00 0.00 N ATOM 1311 CA ALA A 87 3.978 8.903 -10.429 1.00 0.00 C ATOM 1312 C ALA A 87 3.048 8.147 -11.380 1.00 0.00 C ATOM 1313 O ALA A 87 3.142 8.298 -12.597 1.00 0.00 O ATOM 1314 CB ALA A 87 4.959 7.974 -9.711 1.00 0.00 C ATOM 0 H ALA A 87 3.461 9.467 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 87 4.567 9.599 -11.027 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.557 7.437 -10.447 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.615 8.563 -9.071 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.405 7.259 -9.103 1.00 0.00 H new ATOM 1320 N VAL A 88 2.171 7.349 -10.788 1.00 0.00 N ATOM 1321 CA VAL A 88 1.225 6.568 -11.567 1.00 0.00 C ATOM 1322 C VAL A 88 0.673 7.430 -12.704 1.00 0.00 C ATOM 1323 O VAL A 88 0.692 7.021 -13.864 1.00 0.00 O ATOM 1324 CB VAL A 88 0.130 6.010 -10.655 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.020 5.423 -11.475 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.700 4.972 -9.687 1.00 0.00 C ATOM 0 H VAL A 88 2.096 7.227 -9.778 1.00 0.00 H new ATOM 0 HA VAL A 88 1.721 5.710 -12.020 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.268 6.835 -10.065 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.784 5.033 -10.803 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.452 6.201 -12.104 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.644 4.616 -12.103 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.099 4.591 -9.050 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.137 4.149 -10.252 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.468 5.435 -9.068 1.00 0.00 H new ATOM 1336 N GLU A 89 0.194 8.609 -12.332 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.362 9.532 -13.306 1.00 0.00 C ATOM 1338 C GLU A 89 0.676 9.856 -14.383 1.00 0.00 C ATOM 1339 O GLU A 89 0.453 9.595 -15.564 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.864 10.808 -12.628 1.00 0.00 C ATOM 1341 CG GLU A 89 -1.888 10.482 -11.538 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.130 11.366 -11.671 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.897 11.127 -12.628 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -3.284 12.261 -10.812 1.00 0.00 O ATOM 0 H GLU A 89 0.180 8.945 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.217 9.053 -13.784 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.023 11.348 -12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.315 11.466 -13.371 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.175 9.433 -11.606 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.438 10.627 -10.556 1.00 0.00 H new ATOM 1351 N GLN A 90 1.789 10.421 -13.936 1.00 0.00 N ATOM 1352 CA GLN A 90 2.861 10.783 -14.847 1.00 0.00 C ATOM 1353 C GLN A 90 3.334 9.555 -15.627 1.00 0.00 C ATOM 1354 O GLN A 90 3.979 9.685 -16.666 1.00 0.00 O ATOM 1355 CB GLN A 90 4.023 11.435 -14.094 1.00 0.00 C ATOM 1356 CG GLN A 90 3.577 12.728 -13.410 1.00 0.00 C ATOM 1357 CD GLN A 90 3.178 13.785 -14.442 1.00 0.00 C ATOM 1358 OE1 GLN A 90 3.632 13.785 -15.575 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.308 14.683 -13.989 1.00 0.00 N ATOM 0 H GLN A 90 1.971 10.636 -12.956 1.00 0.00 H new ATOM 0 HA GLN A 90 2.475 11.514 -15.558 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.413 10.741 -13.349 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.836 11.648 -14.788 1.00 0.00 H new ATOM 0 HG2 GLN A 90 2.734 12.522 -12.750 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.385 13.111 -12.786 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.968 14.625 -13.029 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.981 15.430 -14.601 1.00 0.00 H new ATOM 1368 N ASP A 91 2.994 8.390 -15.096 1.00 0.00 N ATOM 1369 CA ASP A 91 3.375 7.139 -15.729 1.00 0.00 C ATOM 1370 C ASP A 91 4.827 6.813 -15.373 1.00 0.00 C ATOM 1371 O ASP A 91 5.499 6.082 -16.099 1.00 0.00 O ATOM 1372 CB ASP A 91 3.273 7.239 -17.252 1.00 0.00 C ATOM 1373 CG ASP A 91 2.720 5.993 -17.947 1.00 0.00 C ATOM 1374 OD1 ASP A 91 1.479 5.844 -17.941 1.00 0.00 O ATOM 1375 OD2 ASP A 91 3.550 5.218 -18.468 1.00 0.00 O ATOM 0 H ASP A 91 2.459 8.286 -14.234 1.00 0.00 H new ATOM 0 HA ASP A 91 2.699 6.362 -15.372 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.638 8.089 -17.503 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.264 7.451 -17.654 1.00 0.00 H new ATOM 1380 N THR A 92 5.268 7.372 -14.255 1.00 0.00 N ATOM 1381 CA THR A 92 6.627 7.150 -13.794 1.00 0.00 C ATOM 1382 C THR A 92 6.630 6.261 -12.549 1.00 0.00 C ATOM 1383 O THR A 92 7.529 6.356 -11.715 1.00 0.00 O ATOM 1384 CB THR A 92 7.278 8.516 -13.566 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.347 9.210 -12.740 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.341 9.355 -14.844 1.00 0.00 C ATOM 0 H THR A 92 4.708 7.978 -13.656 1.00 0.00 H new ATOM 0 HA THR A 92 7.214 6.614 -14.539 1.00 0.00 H new ATOM 0 HB THR A 92 8.285 8.377 -13.173 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.690 10.106 -12.541 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.812 10.314 -14.627 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.925 8.827 -15.598 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.331 9.523 -15.219 1.00 0.00 H new ATOM 1394 N LEU A 93 5.612 5.416 -12.462 1.00 0.00 N ATOM 1395 CA LEU A 93 5.486 4.511 -11.332 1.00 0.00 C ATOM 1396 C LEU A 93 6.703 3.586 -11.287 1.00 0.00 C ATOM 1397 O LEU A 93 7.021 3.023 -10.241 1.00 0.00 O ATOM 1398 CB LEU A 93 4.150 3.767 -11.389 1.00 0.00 C ATOM 1399 CG LEU A 93 3.892 2.765 -10.262 1.00 0.00 C ATOM 1400 CD1 LEU A 93 3.831 3.469 -8.905 1.00 0.00 C ATOM 1401 CD2 LEU A 93 2.632 1.942 -10.538 1.00 0.00 C ATOM 0 H LEU A 93 4.868 5.339 -13.155 1.00 0.00 H new ATOM 0 HA LEU A 93 5.475 5.069 -10.396 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.346 4.503 -11.385 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.092 3.237 -12.340 1.00 0.00 H new ATOM 0 HG LEU A 93 4.730 2.069 -10.226 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.647 2.734 -8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.778 3.973 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.025 4.202 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.471 1.238 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.773 2.608 -10.617 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.753 1.393 -11.472 1.00 0.00 H new ATOM 1413 N GLN A 94 7.352 3.457 -12.436 1.00 0.00 N ATOM 1414 CA GLN A 94 8.527 2.609 -12.540 1.00 0.00 C ATOM 1415 C GLN A 94 9.733 3.292 -11.890 1.00 0.00 C ATOM 1416 O GLN A 94 10.593 2.625 -11.317 1.00 0.00 O ATOM 1417 CB GLN A 94 8.819 2.254 -14.000 1.00 0.00 C ATOM 1418 CG GLN A 94 7.945 1.088 -14.465 1.00 0.00 C ATOM 1419 CD GLN A 94 7.252 1.417 -15.789 1.00 0.00 C ATOM 1420 OE1 GLN A 94 7.474 2.453 -16.395 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.403 0.481 -16.203 1.00 0.00 N ATOM 0 H GLN A 94 7.086 3.926 -13.302 1.00 0.00 H new ATOM 0 HA GLN A 94 8.329 1.679 -12.007 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.639 3.123 -14.633 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.871 1.992 -14.111 1.00 0.00 H new ATOM 0 HG2 GLN A 94 8.557 0.194 -14.583 1.00 0.00 H new ATOM 0 HG3 GLN A 94 7.197 0.864 -13.705 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.264 -0.363 -15.647 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.891 0.607 -17.076 1.00 0.00 H new ATOM 1430 N GLU A 95 9.757 4.612 -12.002 1.00 0.00 N ATOM 1431 CA GLU A 95 10.843 5.391 -11.433 1.00 0.00 C ATOM 1432 C GLU A 95 10.673 5.510 -9.917 1.00 0.00 C ATOM 1433 O GLU A 95 11.617 5.280 -9.163 1.00 0.00 O ATOM 1434 CB GLU A 95 10.927 6.773 -12.085 1.00 0.00 C ATOM 1435 CG GLU A 95 12.382 7.219 -12.239 1.00 0.00 C ATOM 1436 CD GLU A 95 12.847 7.082 -13.690 1.00 0.00 C ATOM 1437 OE1 GLU A 95 12.132 7.612 -14.567 1.00 0.00 O ATOM 1438 OE2 GLU A 95 13.907 6.450 -13.889 1.00 0.00 O ATOM 0 H GLU A 95 9.042 5.161 -12.478 1.00 0.00 H new ATOM 0 HA GLU A 95 11.780 4.873 -11.635 1.00 0.00 H new ATOM 0 HB2 GLU A 95 10.445 6.748 -13.062 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.383 7.498 -11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.484 8.255 -11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 95 13.021 6.619 -11.591 1.00 0.00 H new ATOM 1445 N PHE A 96 9.462 5.869 -9.515 1.00 0.00 N ATOM 1446 CA PHE A 96 9.156 6.021 -8.103 1.00 0.00 C ATOM 1447 C PHE A 96 9.575 4.778 -7.315 1.00 0.00 C ATOM 1448 O PHE A 96 10.274 4.884 -6.308 1.00 0.00 O ATOM 1449 CB PHE A 96 7.641 6.196 -7.990 1.00 0.00 C ATOM 1450 CG PHE A 96 7.124 6.235 -6.550 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.594 7.173 -5.685 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.196 5.331 -6.136 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.115 7.209 -4.349 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.717 5.368 -4.800 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.186 6.306 -3.934 1.00 0.00 C ATOM 0 H PHE A 96 8.681 6.059 -10.143 1.00 0.00 H new ATOM 0 HA PHE A 96 9.695 6.876 -7.695 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.354 7.119 -8.493 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.151 5.379 -8.519 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.331 7.890 -6.014 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.824 4.586 -6.823 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.488 7.954 -3.662 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.980 4.651 -4.471 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.821 6.334 -2.918 1.00 0.00 H new ATOM 1465 N LEU A 97 9.129 3.630 -7.802 1.00 0.00 N ATOM 1466 CA LEU A 97 9.448 2.368 -7.155 1.00 0.00 C ATOM 1467 C LEU A 97 10.871 1.952 -7.534 1.00 0.00 C ATOM 1468 O LEU A 97 11.504 2.587 -8.376 1.00 0.00 O ATOM 1469 CB LEU A 97 8.390 1.314 -7.486 1.00 0.00 C ATOM 1470 CG LEU A 97 6.936 1.790 -7.454 1.00 0.00 C ATOM 1471 CD1 LEU A 97 6.043 0.880 -8.299 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.431 1.913 -6.015 1.00 0.00 C ATOM 0 H LEU A 97 8.549 3.547 -8.637 1.00 0.00 H new ATOM 0 HA LEU A 97 9.426 2.479 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.600 0.917 -8.479 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.497 0.488 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 97 6.892 2.785 -7.897 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.015 1.240 -8.259 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.390 0.887 -9.332 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.086 -0.137 -7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.395 2.253 -6.021 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.491 0.942 -5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.046 2.632 -5.474 1.00 0.00 H new ATOM 1484 N LYS A 98 11.332 0.887 -6.894 1.00 0.00 N ATOM 1485 CA LYS A 98 12.667 0.378 -7.154 1.00 0.00 C ATOM 1486 C LYS A 98 12.623 -0.571 -8.353 1.00 0.00 C ATOM 1487 O LYS A 98 13.106 -1.699 -8.275 1.00 0.00 O ATOM 1488 CB LYS A 98 13.255 -0.255 -5.890 1.00 0.00 C ATOM 1489 CG LYS A 98 14.616 0.357 -5.553 1.00 0.00 C ATOM 1490 CD LYS A 98 14.470 1.820 -5.130 1.00 0.00 C ATOM 1491 CE LYS A 98 15.822 2.536 -5.157 1.00 0.00 C ATOM 1492 NZ LYS A 98 16.110 3.049 -6.515 1.00 0.00 N ATOM 0 H LYS A 98 10.804 0.363 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 98 13.340 1.194 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 98 12.570 -0.111 -5.054 1.00 0.00 H new ATOM 0 HB3 LYS A 98 13.361 -1.330 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 98 15.086 -0.212 -4.751 1.00 0.00 H new ATOM 0 HG3 LYS A 98 15.274 0.289 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.772 2.327 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 98 14.047 1.872 -4.127 1.00 0.00 H new ATOM 0 HE2 LYS A 98 15.818 3.360 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 98 16.610 1.850 -4.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 17.031 3.532 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 16.134 2.256 -7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 15.367 3.720 -6.797 1.00 0.00 H new ATOM 1506 N LEU A 99 12.039 -0.078 -9.436 1.00 0.00 N ATOM 1507 CA LEU A 99 11.925 -0.868 -10.650 1.00 0.00 C ATOM 1508 C LEU A 99 12.928 -0.353 -11.684 1.00 0.00 C ATOM 1509 O LEU A 99 13.659 -1.135 -12.289 1.00 0.00 O ATOM 1510 CB LEU A 99 10.479 -0.880 -11.148 1.00 0.00 C ATOM 1511 CG LEU A 99 9.433 -1.403 -10.160 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.019 -1.236 -10.720 1.00 0.00 C ATOM 1513 CD2 LEU A 99 9.727 -2.852 -9.767 1.00 0.00 C ATOM 0 H LEU A 99 11.640 0.859 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 99 12.177 -1.910 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 99 10.205 0.136 -11.432 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.432 -1.488 -12.052 1.00 0.00 H new ATOM 0 HG LEU A 99 9.492 -0.805 -9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.295 -1.615 -9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.825 -0.180 -10.908 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.929 -1.794 -11.652 1.00 0.00 H new ATOM 0 HD21 LEU A 99 8.969 -3.199 -9.065 1.00 0.00 H new ATOM 0 HD22 LEU A 99 9.712 -3.481 -10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 99 10.710 -2.910 -9.299 1.00 0.00 H new ATOM 1525 N ALA A 100 12.930 0.961 -11.855 1.00 0.00 N ATOM 1526 CA ALA A 100 13.831 1.591 -12.806 1.00 0.00 C ATOM 1527 C ALA A 100 14.113 3.027 -12.361 1.00 0.00 C ATOM 1528 O ALA A 100 15.022 3.674 -12.879 1.00 0.00 O ATOM 1529 CB ALA A 100 13.221 1.524 -14.208 1.00 0.00 C ATOM 0 H ALA A 100 12.322 1.607 -11.351 1.00 0.00 H new ATOM 0 HA ALA A 100 14.784 1.063 -12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.896 1.996 -14.922 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.068 0.482 -14.489 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.264 2.046 -14.214 1.00 0.00 H new TER 1535 ALA A 100