USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 569 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 28 ASN : amide:sc= 0.654 K(o=-1.9,f=-2.8) USER MOD Set 1.2: A 37 MET CE :methyl -117:sc= -2.6 (180deg=-5.85!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.16! C(o=-4.2!,f=-2.6!) USER MOD Single : A 11 THR OG1 : rot 48:sc= 0.317 USER MOD Single : A 23 GLN : amide:sc= -0.742 K(o=-0.74,f=-6.7!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 159:sc= -0.195 (180deg=-0.621) USER MOD Single : A 41 LYS NZ :NH3+ -119:sc= -0.864 (180deg=-3.85!) USER MOD Single : A 44 ASN : amide:sc= -0.281 X(o=-0.28,f=-0.0074) USER MOD Single : A 56 SER OG : rot -70:sc= 0.642 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.67) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 78 TYR OH : rot 30:sc= -2.17! USER MOD Single : A 79 SER OG : rot -150:sc=-0.00856 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 16 N LEU A 8 8.471 -11.227 0.808 1.00 0.00 N ATOM 17 CA LEU A 8 9.023 -12.577 0.850 1.00 0.00 C ATOM 18 C LEU A 8 10.505 -12.571 0.492 1.00 0.00 C ATOM 19 O LEU A 8 11.038 -11.562 0.029 1.00 0.00 O ATOM 20 CB LEU A 8 8.259 -13.491 -0.109 1.00 0.00 C ATOM 21 CG LEU A 8 8.203 -13.038 -1.568 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.481 -13.424 -2.296 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.989 -13.633 -2.266 1.00 0.00 C ATOM 0 HA LEU A 8 8.916 -12.955 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.713 -14.481 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.238 -13.596 0.257 1.00 0.00 H new ATOM 0 HG LEU A 8 8.112 -11.952 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.423 -13.094 -3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.334 -12.949 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.604 -14.507 -2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.966 -13.299 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.049 -14.721 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.081 -13.306 -1.759 1.00 0.00 H new ATOM 35 N SER A 9 11.166 -13.704 0.707 1.00 0.00 N ATOM 36 CA SER A 9 12.588 -13.829 0.409 1.00 0.00 C ATOM 37 C SER A 9 12.816 -14.785 -0.758 1.00 0.00 C ATOM 38 O SER A 9 11.879 -15.408 -1.256 1.00 0.00 O ATOM 39 CB SER A 9 13.348 -14.320 1.642 1.00 0.00 C ATOM 40 OG SER A 9 13.747 -13.235 2.461 1.00 0.00 O ATOM 0 H SER A 9 10.739 -14.549 1.087 1.00 0.00 H new ATOM 0 HA SER A 9 12.963 -12.845 0.128 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.717 -14.999 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.226 -14.886 1.330 1.00 0.00 H new ATOM 0 HG SER A 9 14.229 -13.576 3.243 1.00 0.00 H new ATOM 46 N ASN A 10 14.068 -14.895 -1.188 1.00 0.00 N ATOM 47 CA ASN A 10 14.421 -15.775 -2.297 1.00 0.00 C ATOM 48 C ASN A 10 14.628 -17.206 -1.811 1.00 0.00 C ATOM 49 O ASN A 10 14.055 -18.149 -2.358 1.00 0.00 O ATOM 50 CB ASN A 10 15.689 -15.272 -2.991 1.00 0.00 C ATOM 51 CG ASN A 10 15.702 -15.592 -4.473 1.00 0.00 C ATOM 52 OD1 ASN A 10 14.941 -15.016 -5.251 1.00 0.00 O ATOM 53 ND2 ASN A 10 16.570 -16.515 -4.871 1.00 0.00 N ATOM 0 H ASN A 10 14.855 -14.386 -0.786 1.00 0.00 H new ATOM 0 HA ASN A 10 13.597 -15.768 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.772 -14.194 -2.854 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.562 -15.721 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 10 16.625 -16.772 -5.857 1.00 0.00 H new ATOM 0 HD22 ASN A 10 17.182 -16.967 -4.191 1.00 0.00 H new ATOM 60 N THR A 11 15.451 -17.362 -0.778 1.00 0.00 N ATOM 61 CA THR A 11 15.734 -18.677 -0.219 1.00 0.00 C ATOM 62 C THR A 11 15.612 -18.666 1.301 1.00 0.00 C ATOM 63 O THR A 11 16.576 -18.371 2.008 1.00 0.00 O ATOM 64 CB THR A 11 17.145 -19.161 -0.606 1.00 0.00 C ATOM 65 OG1 THR A 11 18.106 -18.134 -0.335 1.00 0.00 O ATOM 66 CG2 THR A 11 17.201 -19.541 -2.077 1.00 0.00 C ATOM 0 H THR A 11 15.933 -16.593 -0.312 1.00 0.00 H new ATOM 0 HA THR A 11 14.996 -19.363 -0.635 1.00 0.00 H new ATOM 0 HB THR A 11 17.380 -20.043 -0.010 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.964 -17.784 0.569 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.206 -19.880 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.489 -20.343 -2.273 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.948 -18.674 -2.687 1.00 0.00 H new ATOM 74 N ARG A 12 14.423 -18.990 1.797 1.00 0.00 N ATOM 75 CA ARG A 12 14.176 -19.016 3.234 1.00 0.00 C ATOM 76 C ARG A 12 12.730 -19.406 3.529 1.00 0.00 C ATOM 77 O ARG A 12 11.796 -18.688 3.169 1.00 0.00 O ATOM 78 CB ARG A 12 14.484 -17.651 3.851 1.00 0.00 C ATOM 79 CG ARG A 12 15.288 -17.732 5.138 1.00 0.00 C ATOM 80 CD ARG A 12 15.438 -16.365 5.788 1.00 0.00 C ATOM 81 NE ARG A 12 15.863 -16.465 7.182 1.00 0.00 N ATOM 82 CZ ARG A 12 16.322 -15.437 7.886 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.415 -14.237 7.330 1.00 0.00 N ATOM 84 NH2 ARG A 12 16.688 -15.608 9.150 1.00 0.00 N ATOM 0 H ARG A 12 13.615 -19.238 1.226 1.00 0.00 H new ATOM 0 HA ARG A 12 14.834 -19.763 3.678 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.033 -17.050 3.127 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.546 -17.132 4.050 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.798 -18.414 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.274 -18.146 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.165 -15.776 5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.488 -15.833 5.736 1.00 0.00 H new ATOM 0 HE ARG A 12 15.804 -17.375 7.640 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.134 -14.102 6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.768 -13.449 7.873 1.00 0.00 H new ATOM 0 HH21 ARG A 12 16.617 -16.530 9.581 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.041 -14.818 9.690 1.00 0.00 H new ATOM 98 N LEU A 13 12.553 -20.546 4.187 1.00 0.00 N ATOM 99 CA LEU A 13 11.221 -21.032 4.531 1.00 0.00 C ATOM 100 C LEU A 13 11.073 -21.190 6.041 1.00 0.00 C ATOM 101 O LEU A 13 11.848 -21.900 6.681 1.00 0.00 O ATOM 102 CB LEU A 13 10.950 -22.369 3.838 1.00 0.00 C ATOM 103 CG LEU A 13 11.803 -22.672 2.606 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.474 -24.050 2.055 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.598 -21.605 1.540 1.00 0.00 C ATOM 0 H LEU A 13 13.315 -21.151 4.493 1.00 0.00 H new ATOM 0 HA LEU A 13 10.493 -20.297 4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.099 -23.168 4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.901 -22.397 3.544 1.00 0.00 H new ATOM 0 HG LEU A 13 12.852 -22.664 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.091 -24.248 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.673 -24.804 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.422 -24.088 1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 13 12.213 -21.837 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.549 -21.581 1.246 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.886 -20.632 1.939 1.00 0.00 H new ATOM 117 N PHE A 14 10.070 -20.524 6.604 1.00 0.00 N ATOM 118 CA PHE A 14 9.818 -20.591 8.039 1.00 0.00 C ATOM 119 C PHE A 14 8.790 -21.671 8.361 1.00 0.00 C ATOM 120 O PHE A 14 7.673 -21.654 7.845 1.00 0.00 O ATOM 121 CB PHE A 14 9.331 -19.236 8.557 1.00 0.00 C ATOM 122 CG PHE A 14 8.539 -19.331 9.830 1.00 0.00 C ATOM 123 CD1 PHE A 14 9.180 -19.468 11.051 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.155 -19.281 9.805 1.00 0.00 C ATOM 125 CE1 PHE A 14 8.454 -19.555 12.223 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.423 -19.368 10.975 1.00 0.00 C ATOM 127 CZ PHE A 14 7.074 -19.504 12.186 1.00 0.00 C ATOM 0 H PHE A 14 9.419 -19.932 6.089 1.00 0.00 H new ATOM 0 HA PHE A 14 10.754 -20.846 8.535 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.192 -18.588 8.721 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.717 -18.762 7.791 1.00 0.00 H new ATOM 0 HD1 PHE A 14 10.259 -19.507 11.087 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.642 -19.173 8.861 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.965 -19.663 13.168 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.344 -19.330 10.942 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.505 -19.570 13.102 1.00 0.00 H new ATOM 137 N VAL A 15 9.176 -22.611 9.218 1.00 0.00 N ATOM 138 CA VAL A 15 8.289 -23.700 9.610 1.00 0.00 C ATOM 139 C VAL A 15 7.763 -23.496 11.027 1.00 0.00 C ATOM 140 O VAL A 15 8.292 -22.685 11.786 1.00 0.00 O ATOM 141 CB VAL A 15 9.002 -25.062 9.530 1.00 0.00 C ATOM 142 CG1 VAL A 15 7.989 -26.189 9.397 1.00 0.00 C ATOM 143 CG2 VAL A 15 9.987 -25.080 8.370 1.00 0.00 C ATOM 0 H VAL A 15 10.098 -22.640 9.654 1.00 0.00 H new ATOM 0 HA VAL A 15 7.453 -23.695 8.910 1.00 0.00 H new ATOM 0 HB VAL A 15 9.560 -25.215 10.454 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.512 -27.144 9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.327 -26.187 10.263 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.401 -26.045 8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.482 -26.050 8.328 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.453 -24.905 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.733 -24.298 8.514 1.00 0.00 H new ATOM 153 N ARG A 16 6.717 -24.239 11.376 1.00 0.00 N ATOM 154 CA ARG A 16 6.118 -24.140 12.701 1.00 0.00 C ATOM 155 C ARG A 16 6.988 -24.835 13.744 1.00 0.00 C ATOM 156 O ARG A 16 7.940 -25.546 13.420 1.00 0.00 O ATOM 157 CB ARG A 16 4.717 -24.754 12.698 1.00 0.00 C ATOM 158 CG ARG A 16 3.600 -23.723 12.687 1.00 0.00 C ATOM 159 CD ARG A 16 3.830 -22.664 11.621 1.00 0.00 C ATOM 160 NE ARG A 16 4.170 -21.368 12.201 1.00 0.00 N ATOM 161 CZ ARG A 16 3.266 -20.508 12.658 1.00 0.00 C ATOM 162 NH1 ARG A 16 1.976 -20.806 12.603 1.00 0.00 N ATOM 163 NH2 ARG A 16 3.654 -19.348 13.173 1.00 0.00 N ATOM 0 H ARG A 16 6.267 -24.916 10.759 1.00 0.00 H new ATOM 0 HA ARG A 16 6.043 -23.084 12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.614 -25.398 11.825 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.606 -25.388 13.577 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.647 -24.220 12.508 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.533 -23.247 13.665 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.633 -22.986 10.958 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.933 -22.564 11.010 1.00 0.00 H new ATOM 0 HE ARG A 16 5.155 -21.109 12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.675 -21.697 12.209 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.284 -20.144 12.955 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.646 -19.116 13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.960 -18.688 13.524 1.00 0.00 H new ATOM 177 N PRO A 17 6.656 -24.627 15.027 1.00 0.00 N ATOM 178 CA PRO A 17 7.394 -25.224 16.143 1.00 0.00 C ATOM 179 C PRO A 17 7.187 -26.733 16.233 1.00 0.00 C ATOM 180 O PRO A 17 6.056 -27.210 16.322 1.00 0.00 O ATOM 181 CB PRO A 17 6.802 -24.529 17.372 1.00 0.00 C ATOM 182 CG PRO A 17 5.435 -24.114 16.951 1.00 0.00 C ATOM 183 CD PRO A 17 5.533 -23.791 15.486 1.00 0.00 C ATOM 0 HA PRO A 17 8.471 -25.090 16.038 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.765 -25.203 18.228 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.403 -23.669 17.668 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.713 -24.912 17.127 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.098 -23.248 17.520 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.610 -24.033 14.959 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.727 -22.731 15.320 1.00 0.00 H new ATOM 191 N PHE A 18 8.287 -27.478 16.211 1.00 0.00 N ATOM 192 CA PHE A 18 8.226 -28.933 16.289 1.00 0.00 C ATOM 193 C PHE A 18 8.375 -29.407 17.732 1.00 0.00 C ATOM 194 O PHE A 18 8.906 -28.703 18.592 1.00 0.00 O ATOM 195 CB PHE A 18 9.318 -29.558 15.420 1.00 0.00 C ATOM 196 CG PHE A 18 9.156 -29.271 13.955 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.621 -28.083 13.413 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.539 -30.188 13.119 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.474 -27.815 12.065 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.389 -29.925 11.771 1.00 0.00 C ATOM 201 CZ PHE A 18 8.856 -28.738 11.243 1.00 0.00 C ATOM 0 H PHE A 18 9.231 -27.099 16.140 1.00 0.00 H new ATOM 0 HA PHE A 18 7.251 -29.251 15.919 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.289 -29.188 15.749 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.319 -30.637 15.573 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.104 -27.358 14.052 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.171 -31.118 13.526 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.841 -26.886 11.655 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.906 -30.648 11.130 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.739 -28.531 10.190 1.00 0.00 H new ATOM 211 N PRO A 19 7.895 -30.629 18.006 1.00 0.00 N ATOM 212 CA PRO A 19 7.963 -31.225 19.344 1.00 0.00 C ATOM 213 C PRO A 19 9.389 -31.587 19.745 1.00 0.00 C ATOM 214 O PRO A 19 10.354 -31.092 19.162 1.00 0.00 O ATOM 215 CB PRO A 19 7.106 -32.487 19.214 1.00 0.00 C ATOM 216 CG PRO A 19 7.158 -32.832 17.766 1.00 0.00 C ATOM 217 CD PRO A 19 7.250 -31.524 17.031 1.00 0.00 C ATOM 0 HA PRO A 19 7.617 -30.537 20.115 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.499 -33.297 19.828 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.082 -32.306 19.541 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.018 -33.464 17.546 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.269 -33.387 17.465 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.840 -31.616 16.119 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.266 -31.157 16.739 1.00 0.00 H new ATOM 225 N LEU A 20 9.515 -32.455 20.743 1.00 0.00 N ATOM 226 CA LEU A 20 10.824 -32.885 21.222 1.00 0.00 C ATOM 227 C LEU A 20 11.681 -33.405 20.073 1.00 0.00 C ATOM 228 O LEU A 20 12.906 -33.466 20.176 1.00 0.00 O ATOM 229 CB LEU A 20 10.667 -33.970 22.289 1.00 0.00 C ATOM 230 CG LEU A 20 9.902 -35.224 21.863 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.850 -36.247 21.255 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.157 -35.822 23.047 1.00 0.00 C ATOM 0 H LEU A 20 8.727 -32.875 21.236 1.00 0.00 H new ATOM 0 HA LEU A 20 11.324 -32.022 21.661 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.660 -34.270 22.622 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.160 -33.534 23.150 1.00 0.00 H new ATOM 0 HG LEU A 20 9.171 -34.941 21.105 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.288 -37.132 20.958 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.338 -35.816 20.380 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.604 -36.526 21.991 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.618 -36.713 22.725 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.869 -36.090 23.827 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.449 -35.091 23.438 1.00 0.00 H new ATOM 244 N ASP A 21 11.028 -33.778 18.977 1.00 0.00 N ATOM 245 CA ASP A 21 11.730 -34.290 17.806 1.00 0.00 C ATOM 246 C ASP A 21 12.141 -33.151 16.878 1.00 0.00 C ATOM 247 O ASP A 21 12.353 -33.356 15.682 1.00 0.00 O ATOM 248 CB ASP A 21 10.849 -35.286 17.052 1.00 0.00 C ATOM 249 CG ASP A 21 11.659 -36.330 16.309 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.457 -37.036 16.961 1.00 0.00 O ATOM 251 OD2 ASP A 21 11.498 -36.440 15.075 1.00 0.00 O ATOM 0 H ASP A 21 10.014 -33.735 18.876 1.00 0.00 H new ATOM 0 HA ASP A 21 12.631 -34.800 18.147 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.182 -35.782 17.757 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.220 -34.747 16.344 1.00 0.00 H new ATOM 256 N VAL A 22 12.250 -31.949 17.436 1.00 0.00 N ATOM 257 CA VAL A 22 12.635 -30.778 16.658 1.00 0.00 C ATOM 258 C VAL A 22 14.135 -30.767 16.386 1.00 0.00 C ATOM 259 O VAL A 22 14.916 -30.246 17.181 1.00 0.00 O ATOM 260 CB VAL A 22 12.246 -29.473 17.379 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.773 -29.474 18.806 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.764 -28.266 16.611 1.00 0.00 C ATOM 0 H VAL A 22 12.077 -31.761 18.424 1.00 0.00 H new ATOM 0 HA VAL A 22 12.098 -30.836 15.711 1.00 0.00 H new ATOM 0 HB VAL A 22 11.159 -29.410 17.419 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.489 -28.545 19.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.349 -30.318 19.350 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.860 -29.560 18.793 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.480 -27.353 17.134 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.850 -28.320 16.538 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.333 -28.259 15.610 1.00 0.00 H new ATOM 272 N GLN A 23 14.530 -31.346 15.257 1.00 0.00 N ATOM 273 CA GLN A 23 15.938 -31.404 14.880 1.00 0.00 C ATOM 274 C GLN A 23 16.099 -31.331 13.365 1.00 0.00 C ATOM 275 O GLN A 23 15.120 -31.404 12.623 1.00 0.00 O ATOM 276 CB GLN A 23 16.578 -32.687 15.412 1.00 0.00 C ATOM 277 CG GLN A 23 15.904 -33.955 14.915 1.00 0.00 C ATOM 278 CD GLN A 23 16.350 -35.189 15.673 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.768 -36.182 15.076 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.263 -35.134 16.997 1.00 0.00 N ATOM 0 H GLN A 23 13.896 -31.782 14.587 1.00 0.00 H new ATOM 0 HA GLN A 23 16.442 -30.545 15.322 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.628 -32.706 15.122 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.548 -32.673 16.502 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.823 -33.847 15.007 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.122 -34.086 13.855 1.00 0.00 H new ATOM 0 HE21 GLN A 23 15.911 -34.291 17.450 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.548 -35.935 17.561 1.00 0.00 H new ATOM 289 N GLU A 24 17.341 -31.188 12.913 1.00 0.00 N ATOM 290 CA GLU A 24 17.629 -31.105 11.486 1.00 0.00 C ATOM 291 C GLU A 24 17.358 -32.439 10.798 1.00 0.00 C ATOM 292 O GLU A 24 17.149 -32.493 9.586 1.00 0.00 O ATOM 293 CB GLU A 24 19.084 -30.688 11.261 1.00 0.00 C ATOM 294 CG GLU A 24 20.094 -31.701 11.774 1.00 0.00 C ATOM 295 CD GLU A 24 21.464 -31.528 11.147 1.00 0.00 C ATOM 296 OE1 GLU A 24 22.091 -30.472 11.376 1.00 0.00 O ATOM 297 OE2 GLU A 24 21.908 -32.447 10.428 1.00 0.00 O ATOM 0 H GLU A 24 18.163 -31.127 13.514 1.00 0.00 H new ATOM 0 HA GLU A 24 16.971 -30.352 11.051 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.248 -30.532 10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.259 -29.731 11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.180 -31.607 12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.729 -32.708 11.569 1.00 0.00 H new ATOM 304 N SER A 25 17.364 -33.514 11.580 1.00 0.00 N ATOM 305 CA SER A 25 17.123 -34.849 11.046 1.00 0.00 C ATOM 306 C SER A 25 15.799 -34.901 10.290 1.00 0.00 C ATOM 307 O SER A 25 15.742 -35.359 9.149 1.00 0.00 O ATOM 308 CB SER A 25 17.119 -35.880 12.176 1.00 0.00 C ATOM 309 OG SER A 25 17.217 -37.198 11.664 1.00 0.00 O ATOM 0 H SER A 25 17.533 -33.486 12.585 1.00 0.00 H new ATOM 0 HA SER A 25 17.928 -35.086 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.952 -35.686 12.852 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.204 -35.780 12.760 1.00 0.00 H new ATOM 0 HG SER A 25 17.214 -37.838 12.406 1.00 0.00 H new ATOM 315 N GLU A 26 14.737 -34.430 10.935 1.00 0.00 N ATOM 316 CA GLU A 26 13.413 -34.423 10.324 1.00 0.00 C ATOM 317 C GLU A 26 13.346 -33.413 9.182 1.00 0.00 C ATOM 318 O GLU A 26 12.714 -33.662 8.155 1.00 0.00 O ATOM 319 CB GLU A 26 12.345 -34.098 11.371 1.00 0.00 C ATOM 320 CG GLU A 26 12.694 -32.905 12.245 1.00 0.00 C ATOM 321 CD GLU A 26 11.466 -32.222 12.815 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.791 -32.832 13.671 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.179 -31.077 12.406 1.00 0.00 O ATOM 0 H GLU A 26 14.767 -34.048 11.880 1.00 0.00 H new ATOM 0 HA GLU A 26 13.223 -35.417 9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.399 -33.903 10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.193 -34.971 12.006 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.335 -33.233 13.063 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.267 -32.186 11.660 1.00 0.00 H new ATOM 330 N LEU A 27 14.000 -32.273 9.370 1.00 0.00 N ATOM 331 CA LEU A 27 14.015 -31.223 8.357 1.00 0.00 C ATOM 332 C LEU A 27 14.652 -31.724 7.064 1.00 0.00 C ATOM 333 O LEU A 27 14.189 -31.405 5.969 1.00 0.00 O ATOM 334 CB LEU A 27 14.775 -30.000 8.872 1.00 0.00 C ATOM 335 CG LEU A 27 14.180 -29.308 10.099 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.375 -27.802 10.009 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.703 -29.649 10.239 1.00 0.00 C ATOM 0 H LEU A 27 14.527 -32.051 10.215 1.00 0.00 H new ATOM 0 HA LEU A 27 12.984 -30.940 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.794 -30.304 9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.840 -29.271 8.064 1.00 0.00 H new ATOM 0 HG LEU A 27 14.702 -29.669 10.985 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.945 -27.326 10.891 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.440 -27.575 9.957 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.880 -27.424 9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.296 -29.148 11.117 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.167 -29.316 9.350 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.587 -30.727 10.350 1.00 0.00 H new ATOM 349 N ASN A 28 15.714 -32.511 7.199 1.00 0.00 N ATOM 350 CA ASN A 28 16.413 -33.057 6.042 1.00 0.00 C ATOM 351 C ASN A 28 15.618 -34.199 5.415 1.00 0.00 C ATOM 352 O ASN A 28 15.550 -34.323 4.193 1.00 0.00 O ATOM 353 CB ASN A 28 17.803 -33.551 6.446 1.00 0.00 C ATOM 354 CG ASN A 28 18.851 -32.458 6.364 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.518 -32.297 5.341 1.00 0.00 O ATOM 356 ND2 ASN A 28 19.001 -31.700 7.444 1.00 0.00 N ATOM 0 H ASN A 28 16.109 -32.785 8.098 1.00 0.00 H new ATOM 0 HA ASN A 28 16.517 -32.262 5.304 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.766 -33.940 7.464 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.094 -34.379 5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.691 -30.949 7.448 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.426 -31.869 8.270 1.00 0.00 H new ATOM 363 N GLU A 29 15.018 -35.030 6.262 1.00 0.00 N ATOM 364 CA GLU A 29 14.228 -36.161 5.791 1.00 0.00 C ATOM 365 C GLU A 29 12.916 -35.688 5.170 1.00 0.00 C ATOM 366 O GLU A 29 12.278 -36.418 4.411 1.00 0.00 O ATOM 367 CB GLU A 29 13.940 -37.126 6.943 1.00 0.00 C ATOM 368 CG GLU A 29 15.189 -37.763 7.530 1.00 0.00 C ATOM 369 CD GLU A 29 15.599 -39.026 6.798 1.00 0.00 C ATOM 370 OE1 GLU A 29 15.241 -39.167 5.610 1.00 0.00 O ATOM 371 OE2 GLU A 29 16.279 -39.873 7.413 1.00 0.00 O ATOM 0 H GLU A 29 15.064 -34.941 7.277 1.00 0.00 H new ATOM 0 HA GLU A 29 14.806 -36.681 5.027 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.411 -36.590 7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.273 -37.912 6.589 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.009 -37.045 7.496 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.014 -37.997 8.580 1.00 0.00 H new ATOM 378 N ILE A 30 12.521 -34.463 5.499 1.00 0.00 N ATOM 379 CA ILE A 30 11.287 -33.892 4.974 1.00 0.00 C ATOM 380 C ILE A 30 11.567 -32.970 3.792 1.00 0.00 C ATOM 381 O ILE A 30 11.016 -33.151 2.705 1.00 0.00 O ATOM 382 CB ILE A 30 10.526 -33.104 6.056 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.047 -34.047 7.162 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.350 -32.360 5.441 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.672 -33.334 8.443 1.00 0.00 C ATOM 0 H ILE A 30 13.038 -33.847 6.127 1.00 0.00 H new ATOM 0 HA ILE A 30 10.670 -34.727 4.642 1.00 0.00 H new ATOM 0 HB ILE A 30 11.204 -32.372 6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.185 -34.608 6.802 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.832 -34.772 7.376 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.822 -31.808 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.715 -31.664 4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.670 -33.074 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.342 -34.064 9.182 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.538 -32.795 8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.865 -32.629 8.244 1.00 0.00 H new ATOM 397 N PHE A 31 12.428 -31.982 4.010 1.00 0.00 N ATOM 398 CA PHE A 31 12.782 -31.031 2.963 1.00 0.00 C ATOM 399 C PHE A 31 13.862 -31.605 2.051 1.00 0.00 C ATOM 400 O PHE A 31 14.304 -30.952 1.106 1.00 0.00 O ATOM 401 CB PHE A 31 13.265 -29.717 3.580 1.00 0.00 C ATOM 402 CG PHE A 31 12.191 -28.971 4.319 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.664 -29.476 5.497 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.709 -27.766 3.836 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.676 -28.792 6.180 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.721 -27.078 4.514 1.00 0.00 C ATOM 407 CZ PHE A 31 10.203 -27.592 5.687 1.00 0.00 C ATOM 0 H PHE A 31 12.894 -31.819 4.903 1.00 0.00 H new ATOM 0 HA PHE A 31 11.891 -30.837 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.087 -29.927 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.662 -29.079 2.791 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.030 -30.415 5.886 1.00 0.00 H new ATOM 0 HD2 PHE A 31 12.110 -27.359 2.919 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.275 -29.195 7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.354 -26.139 4.127 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.430 -27.056 6.217 1.00 0.00 H new ATOM 417 N GLY A 32 14.284 -32.832 2.342 1.00 0.00 N ATOM 418 CA GLY A 32 15.309 -33.474 1.539 1.00 0.00 C ATOM 419 C GLY A 32 14.933 -33.554 0.073 1.00 0.00 C ATOM 420 O GLY A 32 15.620 -33.016 -0.796 1.00 0.00 O ATOM 0 H GLY A 32 13.935 -33.393 3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.244 -32.923 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.488 -34.479 1.920 1.00 0.00 H new ATOM 424 N PRO A 33 13.818 -34.240 -0.219 1.00 0.00 N ATOM 425 CA PRO A 33 13.327 -34.405 -1.590 1.00 0.00 C ATOM 426 C PRO A 33 12.796 -33.102 -2.177 1.00 0.00 C ATOM 427 O PRO A 33 11.627 -33.008 -2.551 1.00 0.00 O ATOM 428 CB PRO A 33 12.195 -35.424 -1.441 1.00 0.00 C ATOM 429 CG PRO A 33 11.731 -35.272 -0.034 1.00 0.00 C ATOM 430 CD PRO A 33 12.951 -34.906 0.767 1.00 0.00 C ATOM 0 HA PRO A 33 14.118 -34.721 -2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.389 -35.226 -2.147 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.547 -36.437 -1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.967 -34.499 0.044 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.287 -36.197 0.333 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.703 -34.244 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.431 -35.787 1.194 1.00 0.00 H new ATOM 438 N PHE A 34 13.664 -32.098 -2.257 1.00 0.00 N ATOM 439 CA PHE A 34 13.281 -30.799 -2.798 1.00 0.00 C ATOM 440 C PHE A 34 14.478 -30.105 -3.444 1.00 0.00 C ATOM 441 O PHE A 34 14.359 -29.502 -4.509 1.00 0.00 O ATOM 442 CB PHE A 34 12.699 -29.914 -1.695 1.00 0.00 C ATOM 443 CG PHE A 34 11.272 -30.239 -1.356 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.348 -30.488 -2.358 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.855 -30.294 -0.036 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.034 -30.788 -2.050 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.543 -30.594 0.278 1.00 0.00 C ATOM 448 CZ PHE A 34 8.631 -30.840 -0.730 1.00 0.00 C ATOM 0 H PHE A 34 14.636 -32.159 -1.954 1.00 0.00 H new ATOM 0 HA PHE A 34 12.521 -30.962 -3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.310 -30.017 -0.798 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.762 -28.871 -2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.658 -30.447 -3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.563 -30.100 0.756 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.324 -30.981 -2.840 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.231 -30.636 1.311 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.605 -31.073 -0.486 1.00 0.00 H new ATOM 458 N GLY A 35 15.631 -30.195 -2.788 1.00 0.00 N ATOM 459 CA GLY A 35 16.833 -29.572 -3.311 1.00 0.00 C ATOM 460 C GLY A 35 17.929 -29.463 -2.271 1.00 0.00 C ATOM 461 O GLY A 35 17.738 -29.789 -1.099 1.00 0.00 O ATOM 0 H GLY A 35 15.754 -30.688 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.198 -30.150 -4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.590 -28.577 -3.684 1.00 0.00 H new ATOM 465 N PRO A 36 19.111 -28.995 -2.698 1.00 0.00 N ATOM 466 CA PRO A 36 20.267 -28.833 -1.810 1.00 0.00 C ATOM 467 C PRO A 36 20.072 -27.704 -0.805 1.00 0.00 C ATOM 468 O PRO A 36 20.289 -26.534 -1.121 1.00 0.00 O ATOM 469 CB PRO A 36 21.410 -28.502 -2.773 1.00 0.00 C ATOM 470 CG PRO A 36 20.743 -27.898 -3.960 1.00 0.00 C ATOM 471 CD PRO A 36 19.411 -28.586 -4.081 1.00 0.00 C ATOM 0 HA PRO A 36 20.445 -29.723 -1.206 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.119 -27.808 -2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.969 -29.397 -3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.617 -26.823 -3.832 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.341 -28.044 -4.860 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.647 -27.916 -4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.461 -29.444 -4.752 1.00 0.00 H new ATOM 479 N MET A 37 19.662 -28.061 0.408 1.00 0.00 N ATOM 480 CA MET A 37 19.440 -27.076 1.460 1.00 0.00 C ATOM 481 C MET A 37 20.735 -26.348 1.806 1.00 0.00 C ATOM 482 O MET A 37 21.650 -26.931 2.388 1.00 0.00 O ATOM 483 CB MET A 37 18.872 -27.752 2.710 1.00 0.00 C ATOM 484 CG MET A 37 17.618 -28.568 2.442 1.00 0.00 C ATOM 485 SD MET A 37 17.623 -30.153 3.302 1.00 0.00 S ATOM 486 CE MET A 37 17.206 -29.637 4.966 1.00 0.00 C ATOM 0 H MET A 37 19.477 -29.025 0.686 1.00 0.00 H new ATOM 0 HA MET A 37 18.720 -26.345 1.092 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.634 -28.402 3.140 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.647 -26.989 3.455 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.744 -27.995 2.750 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.524 -28.741 1.370 1.00 0.00 H new ATOM 0 HE1 MET A 37 18.033 -29.870 5.637 1.00 0.00 H new ATOM 0 HE2 MET A 37 17.020 -28.563 4.978 1.00 0.00 H new ATOM 0 HE3 MET A 37 16.311 -30.164 5.297 1.00 0.00 H new ATOM 496 N LYS A 38 20.806 -25.072 1.443 1.00 0.00 N ATOM 497 CA LYS A 38 21.989 -24.264 1.716 1.00 0.00 C ATOM 498 C LYS A 38 22.247 -24.165 3.216 1.00 0.00 C ATOM 499 O LYS A 38 23.395 -24.158 3.657 1.00 0.00 O ATOM 500 CB LYS A 38 21.822 -22.863 1.123 1.00 0.00 C ATOM 501 CG LYS A 38 23.020 -21.959 1.352 1.00 0.00 C ATOM 502 CD LYS A 38 23.882 -21.848 0.105 1.00 0.00 C ATOM 503 CE LYS A 38 23.311 -20.840 -0.880 1.00 0.00 C ATOM 504 NZ LYS A 38 24.224 -20.614 -2.034 1.00 0.00 N ATOM 0 H LYS A 38 20.058 -24.575 0.959 1.00 0.00 H new ATOM 0 HA LYS A 38 22.846 -24.750 1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.643 -22.950 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.937 -22.397 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.677 -20.967 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.619 -22.348 2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 24.893 -21.552 0.385 1.00 0.00 H new ATOM 0 HD3 LYS A 38 23.957 -22.824 -0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 38 22.347 -21.194 -1.244 1.00 0.00 H new ATOM 0 HE3 LYS A 38 23.131 -19.894 -0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 23.684 -20.224 -2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 24.970 -19.943 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 24.656 -21.517 -2.317 1.00 0.00 H new ATOM 518 N GLU A 39 21.171 -24.090 3.993 1.00 0.00 N ATOM 519 CA GLU A 39 21.283 -23.992 5.444 1.00 0.00 C ATOM 520 C GLU A 39 19.986 -24.427 6.120 1.00 0.00 C ATOM 521 O GLU A 39 18.941 -24.530 5.476 1.00 0.00 O ATOM 522 CB GLU A 39 21.630 -22.560 5.855 1.00 0.00 C ATOM 523 CG GLU A 39 22.980 -22.435 6.541 1.00 0.00 C ATOM 524 CD GLU A 39 23.428 -20.993 6.690 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.034 -20.460 5.737 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.172 -20.399 7.758 1.00 0.00 O ATOM 0 H GLU A 39 20.213 -24.095 3.643 1.00 0.00 H new ATOM 0 HA GLU A 39 22.082 -24.659 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 39 21.621 -21.924 4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.856 -22.185 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 39 22.927 -22.899 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 39 23.726 -22.986 5.969 1.00 0.00 H new ATOM 533 N VAL A 40 20.060 -24.681 7.422 1.00 0.00 N ATOM 534 CA VAL A 40 18.893 -25.104 8.187 1.00 0.00 C ATOM 535 C VAL A 40 18.993 -24.648 9.638 1.00 0.00 C ATOM 536 O VAL A 40 20.086 -24.537 10.193 1.00 0.00 O ATOM 537 CB VAL A 40 18.724 -26.635 8.151 1.00 0.00 C ATOM 538 CG1 VAL A 40 18.156 -27.078 6.812 1.00 0.00 C ATOM 539 CG2 VAL A 40 20.050 -27.324 8.432 1.00 0.00 C ATOM 0 H VAL A 40 20.917 -24.601 7.970 1.00 0.00 H new ATOM 0 HA VAL A 40 18.023 -24.639 7.723 1.00 0.00 H new ATOM 0 HB VAL A 40 18.019 -26.924 8.931 1.00 0.00 H new ATOM 0 HG11 VAL A 40 18.044 -28.162 6.805 1.00 0.00 H new ATOM 0 HG12 VAL A 40 17.183 -26.611 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.833 -26.778 6.012 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.912 -28.405 8.403 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.780 -27.031 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.410 -27.031 9.418 1.00 0.00 H new ATOM 549 N LYS A 41 17.843 -24.386 10.250 1.00 0.00 N ATOM 550 CA LYS A 41 17.798 -23.943 11.639 1.00 0.00 C ATOM 551 C LYS A 41 16.601 -24.550 12.365 1.00 0.00 C ATOM 552 O LYS A 41 15.483 -24.543 11.850 1.00 0.00 O ATOM 553 CB LYS A 41 17.729 -22.416 11.707 1.00 0.00 C ATOM 554 CG LYS A 41 18.735 -21.721 10.806 1.00 0.00 C ATOM 555 CD LYS A 41 18.166 -21.481 9.417 1.00 0.00 C ATOM 556 CE LYS A 41 18.006 -19.996 9.130 1.00 0.00 C ATOM 557 NZ LYS A 41 17.261 -19.298 10.215 1.00 0.00 N ATOM 0 H LYS A 41 16.929 -24.473 9.806 1.00 0.00 H new ATOM 0 HA LYS A 41 18.709 -24.281 12.132 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.725 -22.093 11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.896 -22.099 12.736 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.026 -20.769 11.250 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.638 -22.327 10.731 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.823 -21.928 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.199 -21.976 9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.989 -19.541 9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.480 -19.863 8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.390 -18.883 9.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.017 -19.979 10.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.855 -18.544 10.615 1.00 0.00 H new ATOM 571 N ILE A 42 16.844 -25.072 13.562 1.00 0.00 N ATOM 572 CA ILE A 42 15.785 -25.679 14.359 1.00 0.00 C ATOM 573 C ILE A 42 15.846 -25.205 15.807 1.00 0.00 C ATOM 574 O ILE A 42 16.753 -25.572 16.555 1.00 0.00 O ATOM 575 CB ILE A 42 15.871 -27.217 14.330 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.329 -27.666 14.220 1.00 0.00 C ATOM 577 CG2 ILE A 42 15.051 -27.771 13.174 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.803 -27.835 12.793 1.00 0.00 C ATOM 0 H ILE A 42 17.764 -25.087 14.001 1.00 0.00 H new ATOM 0 HA ILE A 42 14.839 -25.367 13.917 1.00 0.00 H new ATOM 0 HB ILE A 42 15.460 -27.607 15.261 1.00 0.00 H new ATOM 0 HG12 ILE A 42 17.964 -26.936 14.721 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.451 -28.611 14.749 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.121 -28.859 13.166 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.009 -27.476 13.293 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.435 -27.376 12.233 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.845 -28.155 12.791 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.192 -28.587 12.293 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.714 -26.886 12.265 1.00 0.00 H new ATOM 590 N LEU A 43 14.873 -24.389 16.197 1.00 0.00 N ATOM 591 CA LEU A 43 14.813 -23.866 17.558 1.00 0.00 C ATOM 592 C LEU A 43 13.476 -24.199 18.212 1.00 0.00 C ATOM 593 O LEU A 43 12.447 -24.272 17.541 1.00 0.00 O ATOM 594 CB LEU A 43 15.028 -22.351 17.552 1.00 0.00 C ATOM 595 CG LEU A 43 16.196 -21.842 16.707 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.976 -20.390 16.312 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.508 -21.998 17.461 1.00 0.00 C ATOM 0 H LEU A 43 14.115 -24.075 15.591 1.00 0.00 H new ATOM 0 HA LEU A 43 15.606 -24.338 18.138 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.114 -21.876 17.196 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.179 -22.022 18.580 1.00 0.00 H new ATOM 0 HG LEU A 43 16.249 -22.441 15.798 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.817 -20.045 15.711 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.057 -20.306 15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.896 -19.777 17.210 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.328 -21.631 16.844 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.466 -21.425 18.387 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.672 -23.050 17.693 1.00 0.00 H new ATOM 609 N ASN A 44 13.499 -24.398 19.526 1.00 0.00 N ATOM 610 CA ASN A 44 12.288 -24.722 20.271 1.00 0.00 C ATOM 611 C ASN A 44 11.289 -23.571 20.211 1.00 0.00 C ATOM 612 O ASN A 44 11.291 -22.687 21.067 1.00 0.00 O ATOM 613 CB ASN A 44 12.630 -25.039 21.728 1.00 0.00 C ATOM 614 CG ASN A 44 12.981 -26.500 21.934 1.00 0.00 C ATOM 615 OD1 ASN A 44 14.065 -26.828 22.418 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.062 -27.386 21.568 1.00 0.00 N ATOM 0 H ASN A 44 14.343 -24.341 20.096 1.00 0.00 H new ATOM 0 HA ASN A 44 11.833 -25.600 19.812 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.468 -24.418 22.045 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.783 -24.779 22.362 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.241 -28.384 21.684 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.177 -27.069 21.171 1.00 0.00 H new ATOM 623 N GLY A 45 10.434 -23.589 19.192 1.00 0.00 N ATOM 624 CA GLY A 45 9.440 -22.542 19.039 1.00 0.00 C ATOM 625 C GLY A 45 9.249 -22.131 17.593 1.00 0.00 C ATOM 626 O GLY A 45 8.213 -21.574 17.230 1.00 0.00 O ATOM 0 H GLY A 45 10.412 -24.310 18.470 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.489 -22.887 19.444 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.740 -21.673 19.624 1.00 0.00 H new ATOM 630 N PHE A 46 10.252 -22.404 16.765 1.00 0.00 N ATOM 631 CA PHE A 46 10.191 -22.056 15.350 1.00 0.00 C ATOM 632 C PHE A 46 11.309 -22.744 14.572 1.00 0.00 C ATOM 633 O PHE A 46 12.359 -23.066 15.127 1.00 0.00 O ATOM 634 CB PHE A 46 10.288 -20.540 15.171 1.00 0.00 C ATOM 635 CG PHE A 46 10.977 -19.845 16.311 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.289 -20.150 16.634 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.312 -18.886 17.058 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.924 -19.513 17.683 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.942 -18.245 18.108 1.00 0.00 C ATOM 640 CZ PHE A 46 12.251 -18.558 18.420 1.00 0.00 C ATOM 0 H PHE A 46 11.116 -22.865 17.049 1.00 0.00 H new ATOM 0 HA PHE A 46 9.234 -22.400 14.958 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.825 -20.325 14.247 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.284 -20.130 15.059 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.821 -20.894 16.060 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.289 -18.636 16.817 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.946 -19.762 17.927 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.412 -17.501 18.684 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.747 -18.057 19.238 1.00 0.00 H new ATOM 650 N ALA A 47 11.074 -22.967 13.283 1.00 0.00 N ATOM 651 CA ALA A 47 12.060 -23.616 12.428 1.00 0.00 C ATOM 652 C ALA A 47 12.292 -22.814 11.151 1.00 0.00 C ATOM 653 O ALA A 47 11.403 -22.104 10.682 1.00 0.00 O ATOM 654 CB ALA A 47 11.617 -25.032 12.090 1.00 0.00 C ATOM 0 H ALA A 47 10.209 -22.708 12.808 1.00 0.00 H new ATOM 0 HA ALA A 47 13.002 -23.663 12.974 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.363 -25.504 11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.509 -25.609 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.661 -24.999 11.568 1.00 0.00 H new ATOM 660 N PHE A 48 13.493 -22.932 10.594 1.00 0.00 N ATOM 661 CA PHE A 48 13.842 -22.216 9.373 1.00 0.00 C ATOM 662 C PHE A 48 14.699 -23.087 8.458 1.00 0.00 C ATOM 663 O PHE A 48 15.533 -23.863 8.924 1.00 0.00 O ATOM 664 CB PHE A 48 14.587 -20.923 9.709 1.00 0.00 C ATOM 665 CG PHE A 48 13.877 -20.068 10.720 1.00 0.00 C ATOM 666 CD1 PHE A 48 13.967 -20.352 12.073 1.00 0.00 C ATOM 667 CD2 PHE A 48 13.120 -18.980 10.316 1.00 0.00 C ATOM 668 CE1 PHE A 48 13.316 -19.567 13.005 1.00 0.00 C ATOM 669 CE2 PHE A 48 12.466 -18.191 11.244 1.00 0.00 C ATOM 670 CZ PHE A 48 12.564 -18.485 12.590 1.00 0.00 C ATOM 0 H PHE A 48 14.240 -23.516 10.969 1.00 0.00 H new ATOM 0 HA PHE A 48 12.918 -21.969 8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.578 -21.172 10.088 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.730 -20.347 8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 48 14.553 -21.197 12.403 1.00 0.00 H new ATOM 0 HD2 PHE A 48 13.040 -18.746 9.265 1.00 0.00 H new ATOM 0 HE1 PHE A 48 13.395 -19.799 14.057 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.879 -17.346 10.917 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.054 -17.870 13.317 1.00 0.00 H new ATOM 680 N VAL A 49 14.487 -22.952 7.153 1.00 0.00 N ATOM 681 CA VAL A 49 15.239 -23.725 6.172 1.00 0.00 C ATOM 682 C VAL A 49 15.566 -22.884 4.944 1.00 0.00 C ATOM 683 O VAL A 49 14.669 -22.406 4.250 1.00 0.00 O ATOM 684 CB VAL A 49 14.462 -24.979 5.730 1.00 0.00 C ATOM 685 CG1 VAL A 49 13.105 -24.593 5.161 1.00 0.00 C ATOM 686 CG2 VAL A 49 15.268 -25.775 4.715 1.00 0.00 C ATOM 0 H VAL A 49 13.800 -22.314 6.750 1.00 0.00 H new ATOM 0 HA VAL A 49 16.166 -24.033 6.655 1.00 0.00 H new ATOM 0 HB VAL A 49 14.297 -25.610 6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.570 -25.492 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.527 -24.069 5.922 1.00 0.00 H new ATOM 0 HG13 VAL A 49 13.244 -23.941 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 49 14.704 -26.658 4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 49 15.466 -25.155 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 49 16.213 -26.084 5.162 1.00 0.00 H new ATOM 696 N GLU A 50 16.857 -22.708 4.680 1.00 0.00 N ATOM 697 CA GLU A 50 17.303 -21.924 3.534 1.00 0.00 C ATOM 698 C GLU A 50 17.826 -22.831 2.425 1.00 0.00 C ATOM 699 O GLU A 50 18.883 -23.448 2.559 1.00 0.00 O ATOM 700 CB GLU A 50 18.392 -20.935 3.957 1.00 0.00 C ATOM 701 CG GLU A 50 19.000 -20.167 2.795 1.00 0.00 C ATOM 702 CD GLU A 50 19.636 -18.861 3.230 1.00 0.00 C ATOM 703 OE1 GLU A 50 18.992 -18.111 3.992 1.00 0.00 O ATOM 704 OE2 GLU A 50 20.779 -18.589 2.807 1.00 0.00 O ATOM 0 H GLU A 50 17.612 -23.098 5.244 1.00 0.00 H new ATOM 0 HA GLU A 50 16.447 -21.368 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 50 17.970 -20.226 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.182 -21.477 4.476 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.751 -20.788 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.226 -19.962 2.055 1.00 0.00 H new ATOM 711 N PHE A 51 17.079 -22.906 1.328 1.00 0.00 N ATOM 712 CA PHE A 51 17.466 -23.739 0.195 1.00 0.00 C ATOM 713 C PHE A 51 18.511 -23.035 -0.665 1.00 0.00 C ATOM 714 O PHE A 51 18.549 -21.807 -0.733 1.00 0.00 O ATOM 715 CB PHE A 51 16.240 -24.085 -0.653 1.00 0.00 C ATOM 716 CG PHE A 51 15.547 -25.344 -0.218 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.138 -26.581 -0.420 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.303 -25.292 0.391 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.503 -27.742 -0.021 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.664 -26.449 0.793 1.00 0.00 C ATOM 721 CZ PHE A 51 14.264 -27.676 0.585 1.00 0.00 C ATOM 0 H PHE A 51 16.203 -22.400 1.200 1.00 0.00 H new ATOM 0 HA PHE A 51 17.901 -24.659 0.584 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.533 -23.257 -0.610 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.546 -24.189 -1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.106 -26.639 -0.895 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.828 -24.336 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 51 15.975 -28.700 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.696 -26.394 1.269 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.765 -28.582 0.896 1.00 0.00 H new ATOM 731 N GLU A 52 19.358 -23.823 -1.320 1.00 0.00 N ATOM 732 CA GLU A 52 20.404 -23.275 -2.175 1.00 0.00 C ATOM 733 C GLU A 52 19.831 -22.822 -3.515 1.00 0.00 C ATOM 734 O GLU A 52 20.553 -22.309 -4.368 1.00 0.00 O ATOM 735 CB GLU A 52 21.503 -24.315 -2.403 1.00 0.00 C ATOM 736 CG GLU A 52 22.775 -23.735 -3.000 1.00 0.00 C ATOM 737 CD GLU A 52 24.011 -24.529 -2.624 1.00 0.00 C ATOM 738 OE1 GLU A 52 24.061 -25.044 -1.487 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.927 -24.636 -3.465 1.00 0.00 O ATOM 0 H GLU A 52 19.340 -24.842 -1.275 1.00 0.00 H new ATOM 0 HA GLU A 52 20.832 -22.408 -1.672 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.742 -24.793 -1.453 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.123 -25.094 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.682 -23.707 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.893 -22.705 -2.663 1.00 0.00 H new ATOM 746 N GLU A 53 18.528 -23.018 -3.691 1.00 0.00 N ATOM 747 CA GLU A 53 17.858 -22.631 -4.927 1.00 0.00 C ATOM 748 C GLU A 53 16.472 -22.063 -4.640 1.00 0.00 C ATOM 749 O GLU A 53 15.647 -22.707 -3.993 1.00 0.00 O ATOM 750 CB GLU A 53 17.744 -23.832 -5.869 1.00 0.00 C ATOM 751 CG GLU A 53 18.946 -24.006 -6.782 1.00 0.00 C ATOM 752 CD GLU A 53 19.219 -22.777 -7.628 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.266 -22.015 -7.892 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.386 -22.579 -8.025 1.00 0.00 O ATOM 0 H GLU A 53 17.916 -23.442 -2.994 1.00 0.00 H new ATOM 0 HA GLU A 53 18.456 -21.857 -5.407 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.615 -24.737 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.848 -23.720 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.826 -24.230 -6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.780 -24.863 -7.435 1.00 0.00 H new ATOM 761 N ALA A 54 16.223 -20.851 -5.126 1.00 0.00 N ATOM 762 CA ALA A 54 14.937 -20.196 -4.923 1.00 0.00 C ATOM 763 C ALA A 54 13.785 -21.113 -5.319 1.00 0.00 C ATOM 764 O ALA A 54 12.752 -21.150 -4.651 1.00 0.00 O ATOM 765 CB ALA A 54 14.876 -18.897 -5.714 1.00 0.00 C ATOM 0 H ALA A 54 16.895 -20.303 -5.663 1.00 0.00 H new ATOM 0 HA ALA A 54 14.837 -19.968 -3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.910 -18.418 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.671 -18.230 -5.381 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.003 -19.111 -6.775 1.00 0.00 H new ATOM 771 N GLU A 55 13.970 -21.851 -6.409 1.00 0.00 N ATOM 772 CA GLU A 55 12.944 -22.767 -6.893 1.00 0.00 C ATOM 773 C GLU A 55 12.611 -23.818 -5.838 1.00 0.00 C ATOM 774 O GLU A 55 11.448 -24.011 -5.484 1.00 0.00 O ATOM 775 CB GLU A 55 13.406 -23.451 -8.181 1.00 0.00 C ATOM 776 CG GLU A 55 12.273 -24.070 -8.983 1.00 0.00 C ATOM 777 CD GLU A 55 12.740 -24.644 -10.306 1.00 0.00 C ATOM 778 OE1 GLU A 55 13.688 -24.084 -10.895 1.00 0.00 O ATOM 779 OE2 GLU A 55 12.157 -25.655 -10.752 1.00 0.00 O ATOM 0 H GLU A 55 14.820 -21.833 -6.973 1.00 0.00 H new ATOM 0 HA GLU A 55 12.045 -22.187 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.924 -22.722 -8.804 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.129 -24.227 -7.931 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.805 -24.859 -8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.509 -23.315 -9.168 1.00 0.00 H new ATOM 786 N SER A 56 13.640 -24.495 -5.340 1.00 0.00 N ATOM 787 CA SER A 56 13.458 -25.530 -4.328 1.00 0.00 C ATOM 788 C SER A 56 12.713 -24.979 -3.116 1.00 0.00 C ATOM 789 O SER A 56 11.871 -25.658 -2.529 1.00 0.00 O ATOM 790 CB SER A 56 14.812 -26.095 -3.896 1.00 0.00 C ATOM 791 OG SER A 56 15.290 -27.046 -4.831 1.00 0.00 O ATOM 0 H SER A 56 14.609 -24.346 -5.621 1.00 0.00 H new ATOM 0 HA SER A 56 12.862 -26.331 -4.766 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.533 -25.284 -3.797 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.719 -26.560 -2.915 1.00 0.00 H new ATOM 0 HG SER A 56 14.740 -27.856 -4.784 1.00 0.00 H new ATOM 797 N ALA A 57 13.031 -23.742 -2.746 1.00 0.00 N ATOM 798 CA ALA A 57 12.392 -23.098 -1.606 1.00 0.00 C ATOM 799 C ALA A 57 10.934 -22.767 -1.908 1.00 0.00 C ATOM 800 O ALA A 57 10.034 -23.141 -1.156 1.00 0.00 O ATOM 801 CB ALA A 57 13.151 -21.838 -1.217 1.00 0.00 C ATOM 0 H ALA A 57 13.727 -23.167 -3.220 1.00 0.00 H new ATOM 0 HA ALA A 57 12.413 -23.795 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.662 -21.367 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.175 -22.098 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.160 -21.144 -2.058 1.00 0.00 H new ATOM 807 N ALA A 58 10.708 -22.063 -3.012 1.00 0.00 N ATOM 808 CA ALA A 58 9.360 -21.683 -3.414 1.00 0.00 C ATOM 809 C ALA A 58 8.447 -22.902 -3.492 1.00 0.00 C ATOM 810 O ALA A 58 7.249 -22.812 -3.219 1.00 0.00 O ATOM 811 CB ALA A 58 9.392 -20.958 -4.751 1.00 0.00 C ATOM 0 H ALA A 58 11.442 -21.744 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 58 8.958 -21.008 -2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.378 -20.680 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 58 10.003 -20.060 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.818 -21.614 -5.510 1.00 0.00 H new ATOM 817 N LYS A 59 9.018 -24.041 -3.868 1.00 0.00 N ATOM 818 CA LYS A 59 8.257 -25.279 -3.982 1.00 0.00 C ATOM 819 C LYS A 59 7.986 -25.880 -2.607 1.00 0.00 C ATOM 820 O LYS A 59 6.838 -26.144 -2.250 1.00 0.00 O ATOM 821 CB LYS A 59 9.011 -26.287 -4.852 1.00 0.00 C ATOM 822 CG LYS A 59 8.771 -26.107 -6.341 1.00 0.00 C ATOM 823 CD LYS A 59 7.489 -26.792 -6.785 1.00 0.00 C ATOM 824 CE LYS A 59 6.985 -26.228 -8.105 1.00 0.00 C ATOM 825 NZ LYS A 59 7.685 -26.835 -9.271 1.00 0.00 N ATOM 0 H LYS A 59 10.007 -24.132 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 59 7.301 -25.047 -4.452 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.079 -26.199 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.714 -27.296 -4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.717 -25.044 -6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.614 -26.514 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.664 -27.863 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.724 -26.667 -6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.913 -26.408 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.129 -25.148 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.313 -26.424 -10.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.705 -26.642 -9.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.527 -27.863 -9.274 1.00 0.00 H new ATOM 839 N ALA A 60 9.049 -26.092 -1.839 1.00 0.00 N ATOM 840 CA ALA A 60 8.925 -26.658 -0.501 1.00 0.00 C ATOM 841 C ALA A 60 7.876 -25.911 0.316 1.00 0.00 C ATOM 842 O ALA A 60 7.162 -26.509 1.121 1.00 0.00 O ATOM 843 CB ALA A 60 10.269 -26.631 0.210 1.00 0.00 C ATOM 0 H ALA A 60 10.006 -25.880 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 60 8.600 -27.694 -0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.161 -27.057 1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.993 -27.216 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.617 -25.601 0.290 1.00 0.00 H new ATOM 849 N ILE A 61 7.789 -24.602 0.103 1.00 0.00 N ATOM 850 CA ILE A 61 6.827 -23.775 0.820 1.00 0.00 C ATOM 851 C ILE A 61 5.396 -24.173 0.476 1.00 0.00 C ATOM 852 O ILE A 61 4.516 -24.167 1.337 1.00 0.00 O ATOM 853 CB ILE A 61 7.023 -22.280 0.503 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.370 -21.795 1.041 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.885 -21.460 1.091 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.850 -20.511 0.401 1.00 0.00 C ATOM 0 H ILE A 61 8.373 -24.092 -0.560 1.00 0.00 H new ATOM 0 HA ILE A 61 7.001 -23.938 1.884 1.00 0.00 H new ATOM 0 HB ILE A 61 7.017 -22.149 -0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.290 -21.647 2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.117 -22.572 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.038 -20.406 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.939 -21.792 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.862 -21.593 2.173 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.811 -20.227 0.831 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.963 -20.660 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.123 -19.720 0.583 1.00 0.00 H new ATOM 868 N GLU A 62 5.171 -24.519 -0.787 1.00 0.00 N ATOM 869 CA GLU A 62 3.846 -24.921 -1.244 1.00 0.00 C ATOM 870 C GLU A 62 3.658 -26.429 -1.108 1.00 0.00 C ATOM 871 O GLU A 62 2.548 -26.941 -1.250 1.00 0.00 O ATOM 872 CB GLU A 62 3.634 -24.499 -2.699 1.00 0.00 C ATOM 873 CG GLU A 62 3.624 -22.993 -2.900 1.00 0.00 C ATOM 874 CD GLU A 62 2.270 -22.374 -2.611 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.394 -23.088 -2.079 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.086 -21.177 -2.916 1.00 0.00 O ATOM 0 H GLU A 62 5.889 -24.529 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 62 3.107 -24.422 -0.617 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.422 -24.934 -3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.689 -24.911 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.373 -22.539 -2.251 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.912 -22.765 -3.926 1.00 0.00 H new ATOM 883 N GLU A 63 4.751 -27.134 -0.833 1.00 0.00 N ATOM 884 CA GLU A 63 4.707 -28.583 -0.680 1.00 0.00 C ATOM 885 C GLU A 63 4.565 -28.971 0.789 1.00 0.00 C ATOM 886 O GLU A 63 3.537 -29.506 1.205 1.00 0.00 O ATOM 887 CB GLU A 63 5.968 -29.219 -1.267 1.00 0.00 C ATOM 888 CG GLU A 63 6.174 -28.914 -2.741 1.00 0.00 C ATOM 889 CD GLU A 63 5.856 -30.099 -3.632 1.00 0.00 C ATOM 890 OE1 GLU A 63 4.988 -30.912 -3.252 1.00 0.00 O ATOM 891 OE2 GLU A 63 6.476 -30.213 -4.711 1.00 0.00 O ATOM 0 H GLU A 63 5.677 -26.725 -0.712 1.00 0.00 H new ATOM 0 HA GLU A 63 3.837 -28.953 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.835 -28.869 -0.708 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.916 -30.299 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.544 -28.071 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.208 -28.609 -2.904 1.00 0.00 H new ATOM 898 N VAL A 64 5.605 -28.697 1.570 1.00 0.00 N ATOM 899 CA VAL A 64 5.597 -29.016 2.993 1.00 0.00 C ATOM 900 C VAL A 64 4.353 -28.459 3.675 1.00 0.00 C ATOM 901 O VAL A 64 3.733 -29.128 4.502 1.00 0.00 O ATOM 902 CB VAL A 64 6.848 -28.461 3.700 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.920 -28.965 5.133 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.105 -28.837 2.930 1.00 0.00 C ATOM 0 H VAL A 64 6.464 -28.255 1.242 1.00 0.00 H new ATOM 0 HA VAL A 64 5.595 -30.103 3.073 1.00 0.00 H new ATOM 0 HB VAL A 64 6.777 -27.374 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.810 -28.562 5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.033 -28.641 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.968 -30.054 5.134 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.979 -28.437 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.184 -29.922 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.053 -28.421 1.924 1.00 0.00 H new ATOM 914 N HIS A 65 3.991 -27.230 3.321 1.00 0.00 N ATOM 915 CA HIS A 65 2.819 -26.582 3.898 1.00 0.00 C ATOM 916 C HIS A 65 1.565 -27.419 3.663 1.00 0.00 C ATOM 917 O HIS A 65 1.168 -27.654 2.523 1.00 0.00 O ATOM 918 CB HIS A 65 2.634 -25.187 3.299 1.00 0.00 C ATOM 919 CG HIS A 65 1.350 -24.529 3.698 1.00 0.00 C ATOM 920 ND1 HIS A 65 1.092 -24.098 4.983 1.00 0.00 N ATOM 921 CD2 HIS A 65 0.247 -24.227 2.974 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.114 -23.561 5.031 1.00 0.00 C ATOM 923 NE2 HIS A 65 -0.648 -23.627 3.825 1.00 0.00 N ATOM 0 H HIS A 65 4.493 -26.663 2.637 1.00 0.00 H new ATOM 0 HA HIS A 65 2.978 -26.490 4.972 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.467 -24.555 3.607 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.673 -25.259 2.212 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.098 -24.422 1.922 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -0.583 -23.140 5.908 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.575 -23.287 3.568 1.00 0.00 H new ATOM 931 N GLY A 66 0.946 -27.867 4.751 1.00 0.00 N ATOM 932 CA GLY A 66 -0.256 -28.673 4.642 1.00 0.00 C ATOM 933 C GLY A 66 0.021 -30.153 4.820 1.00 0.00 C ATOM 934 O GLY A 66 -0.864 -30.986 4.625 1.00 0.00 O ATOM 0 H GLY A 66 1.255 -27.686 5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.977 -28.348 5.392 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.714 -28.507 3.667 1.00 0.00 H new ATOM 938 N LYS A 67 1.254 -30.482 5.190 1.00 0.00 N ATOM 939 CA LYS A 67 1.647 -31.872 5.394 1.00 0.00 C ATOM 940 C LYS A 67 1.366 -32.311 6.827 1.00 0.00 C ATOM 941 O LYS A 67 0.790 -31.561 7.615 1.00 0.00 O ATOM 942 CB LYS A 67 3.132 -32.055 5.075 1.00 0.00 C ATOM 943 CG LYS A 67 3.426 -32.166 3.589 1.00 0.00 C ATOM 944 CD LYS A 67 3.970 -33.538 3.229 1.00 0.00 C ATOM 945 CE LYS A 67 3.431 -34.017 1.890 1.00 0.00 C ATOM 946 NZ LYS A 67 3.852 -35.414 1.591 1.00 0.00 N ATOM 0 H LYS A 67 1.999 -29.805 5.355 1.00 0.00 H new ATOM 0 HA LYS A 67 1.058 -32.494 4.720 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.689 -31.213 5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.495 -32.952 5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.515 -31.975 3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.147 -31.401 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.059 -33.501 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.702 -34.253 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.343 -33.959 1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.782 -33.354 1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.465 -35.704 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.890 -35.465 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.495 -36.050 2.332 1.00 0.00 H new ATOM 960 N SER A 68 1.777 -33.531 7.159 1.00 0.00 N ATOM 961 CA SER A 68 1.567 -34.071 8.497 1.00 0.00 C ATOM 962 C SER A 68 2.896 -34.445 9.146 1.00 0.00 C ATOM 963 O SER A 68 3.834 -34.868 8.470 1.00 0.00 O ATOM 964 CB SER A 68 0.653 -35.297 8.438 1.00 0.00 C ATOM 965 OG SER A 68 1.307 -36.391 7.819 1.00 0.00 O ATOM 0 H SER A 68 2.257 -34.164 6.519 1.00 0.00 H new ATOM 0 HA SER A 68 1.090 -33.300 9.102 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.347 -35.575 9.446 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.254 -35.052 7.886 1.00 0.00 H new ATOM 0 HG SER A 68 0.703 -37.162 7.795 1.00 0.00 H new ATOM 971 N PHE A 69 2.969 -34.286 10.464 1.00 0.00 N ATOM 972 CA PHE A 69 4.183 -34.606 11.206 1.00 0.00 C ATOM 973 C PHE A 69 3.937 -34.526 12.710 1.00 0.00 C ATOM 974 O PHE A 69 3.381 -33.547 13.208 1.00 0.00 O ATOM 975 CB PHE A 69 5.313 -33.654 10.811 1.00 0.00 C ATOM 976 CG PHE A 69 6.655 -34.059 11.351 1.00 0.00 C ATOM 977 CD1 PHE A 69 7.021 -33.739 12.648 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.551 -34.761 10.560 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.255 -34.111 13.148 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.786 -35.136 11.054 1.00 0.00 C ATOM 981 CZ PHE A 69 9.139 -34.810 12.349 1.00 0.00 C ATOM 0 H PHE A 69 2.202 -33.938 11.039 1.00 0.00 H new ATOM 0 HA PHE A 69 4.474 -35.626 10.957 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.369 -33.601 9.724 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.074 -32.652 11.167 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.334 -33.192 13.276 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.281 -35.018 9.546 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.527 -33.856 14.161 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.475 -35.684 10.428 1.00 0.00 H new ATOM 0 HZ PHE A 69 10.104 -35.101 12.736 1.00 0.00 H new ATOM 991 N ALA A 70 4.356 -35.563 13.428 1.00 0.00 N ATOM 992 CA ALA A 70 4.183 -35.611 14.874 1.00 0.00 C ATOM 993 C ALA A 70 2.709 -35.519 15.255 1.00 0.00 C ATOM 994 O ALA A 70 2.351 -34.870 16.237 1.00 0.00 O ATOM 995 CB ALA A 70 4.972 -34.491 15.537 1.00 0.00 C ATOM 0 H ALA A 70 4.818 -36.381 13.031 1.00 0.00 H new ATOM 0 HA ALA A 70 4.563 -36.569 15.229 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.834 -34.539 16.617 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.030 -34.603 15.301 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.618 -33.529 15.168 1.00 0.00 H new ATOM 1001 N ASN A 71 1.859 -36.172 14.470 1.00 0.00 N ATOM 1002 CA ASN A 71 0.423 -36.163 14.724 1.00 0.00 C ATOM 1003 C ASN A 71 -0.126 -34.740 14.696 1.00 0.00 C ATOM 1004 O ASN A 71 -1.064 -34.412 15.422 1.00 0.00 O ATOM 1005 CB ASN A 71 0.119 -36.812 16.076 1.00 0.00 C ATOM 1006 CG ASN A 71 0.072 -38.326 15.993 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -0.862 -38.899 15.431 1.00 0.00 O ATOM 1008 ND2 ASN A 71 1.082 -38.981 16.554 1.00 0.00 N ATOM 0 H ASN A 71 2.139 -36.714 13.653 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.063 -36.737 13.935 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.879 -36.514 16.798 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.836 -36.441 16.447 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.105 -40.000 16.530 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.835 -38.465 17.009 1.00 0.00 H new ATOM 1015 N GLN A 72 0.467 -33.899 13.854 1.00 0.00 N ATOM 1016 CA GLN A 72 0.037 -32.511 13.732 1.00 0.00 C ATOM 1017 C GLN A 72 0.330 -31.971 12.336 1.00 0.00 C ATOM 1018 O GLN A 72 1.296 -32.366 11.682 1.00 0.00 O ATOM 1019 CB GLN A 72 0.734 -31.646 14.783 1.00 0.00 C ATOM 1020 CG GLN A 72 0.396 -32.035 16.213 1.00 0.00 C ATOM 1021 CD GLN A 72 1.063 -31.137 17.236 1.00 0.00 C ATOM 1022 OE1 GLN A 72 2.054 -30.469 16.940 1.00 0.00 O ATOM 1023 NE2 GLN A 72 0.522 -31.116 18.448 1.00 0.00 N ATOM 0 H GLN A 72 1.246 -34.155 13.247 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.040 -32.474 13.897 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.813 -31.716 14.642 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.458 -30.603 14.624 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.685 -31.995 16.350 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.702 -33.067 16.387 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -0.300 -31.686 18.650 1.00 0.00 H new ATOM 0 HE22 GLN A 72 0.928 -30.530 19.178 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.521 -31.047 11.868 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.374 -30.433 10.545 1.00 0.00 C ATOM 1034 C PRO A 73 0.831 -29.503 10.469 1.00 0.00 C ATOM 1035 O PRO A 73 1.026 -28.650 11.336 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.673 -29.642 10.375 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.125 -29.353 11.764 1.00 0.00 C ATOM 1038 CD PRO A 73 -1.694 -30.530 12.594 1.00 0.00 C ATOM 0 HA PRO A 73 -0.208 -31.177 9.766 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.506 -28.723 9.814 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.419 -30.219 9.828 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.679 -28.430 12.135 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.207 -29.223 11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.438 -30.233 13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.482 -31.279 12.669 1.00 0.00 H new ATOM 1046 N LEU A 74 1.638 -29.671 9.426 1.00 0.00 N ATOM 1047 CA LEU A 74 2.825 -28.844 9.237 1.00 0.00 C ATOM 1048 C LEU A 74 2.491 -27.586 8.441 1.00 0.00 C ATOM 1049 O LEU A 74 1.577 -27.586 7.617 1.00 0.00 O ATOM 1050 CB LEU A 74 3.916 -29.641 8.519 1.00 0.00 C ATOM 1051 CG LEU A 74 4.682 -30.651 9.374 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.781 -31.315 8.560 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.263 -29.974 10.607 1.00 0.00 C ATOM 0 H LEU A 74 1.492 -30.372 8.699 1.00 0.00 H new ATOM 0 HA LEU A 74 3.189 -28.544 10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.459 -30.174 7.685 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.632 -28.937 8.094 1.00 0.00 H new ATOM 0 HG LEU A 74 3.985 -31.423 9.702 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.315 -32.030 9.185 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.340 -31.835 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.477 -30.557 8.201 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.805 -30.708 11.204 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.945 -29.181 10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.456 -29.547 11.202 1.00 0.00 H new ATOM 1065 N GLU A 75 3.240 -26.517 8.692 1.00 0.00 N ATOM 1066 CA GLU A 75 3.024 -25.254 7.997 1.00 0.00 C ATOM 1067 C GLU A 75 4.352 -24.570 7.685 1.00 0.00 C ATOM 1068 O GLU A 75 5.184 -24.370 8.571 1.00 0.00 O ATOM 1069 CB GLU A 75 2.147 -24.326 8.841 1.00 0.00 C ATOM 1070 CG GLU A 75 1.042 -25.050 9.591 1.00 0.00 C ATOM 1071 CD GLU A 75 -0.033 -25.591 8.668 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.023 -25.231 7.473 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.883 -26.374 9.141 1.00 0.00 O ATOM 0 H GLU A 75 4.001 -26.501 9.371 1.00 0.00 H new ATOM 0 HA GLU A 75 2.516 -25.469 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.776 -23.798 9.558 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.701 -23.572 8.192 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.474 -25.873 10.161 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.589 -24.368 10.310 1.00 0.00 H new ATOM 1080 N VAL A 76 4.545 -24.215 6.419 1.00 0.00 N ATOM 1081 CA VAL A 76 5.771 -23.554 5.988 1.00 0.00 C ATOM 1082 C VAL A 76 5.466 -22.367 5.082 1.00 0.00 C ATOM 1083 O VAL A 76 4.663 -22.470 4.155 1.00 0.00 O ATOM 1084 CB VAL A 76 6.703 -24.529 5.243 1.00 0.00 C ATOM 1085 CG1 VAL A 76 8.118 -23.974 5.183 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.685 -25.896 5.910 1.00 0.00 C ATOM 0 H VAL A 76 3.868 -24.374 5.673 1.00 0.00 H new ATOM 0 HA VAL A 76 6.273 -23.200 6.889 1.00 0.00 H new ATOM 0 HB VAL A 76 6.340 -24.644 4.222 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.762 -24.676 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.112 -23.019 4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.495 -23.829 6.195 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.349 -26.572 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.023 -25.802 6.942 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.671 -26.295 5.895 1.00 0.00 H new ATOM 1096 N VAL A 77 6.114 -21.239 5.355 1.00 0.00 N ATOM 1097 CA VAL A 77 5.914 -20.031 4.563 1.00 0.00 C ATOM 1098 C VAL A 77 7.245 -19.375 4.215 1.00 0.00 C ATOM 1099 O VAL A 77 8.296 -19.775 4.716 1.00 0.00 O ATOM 1100 CB VAL A 77 5.031 -19.012 5.307 1.00 0.00 C ATOM 1101 CG1 VAL A 77 3.714 -19.650 5.723 1.00 0.00 C ATOM 1102 CG2 VAL A 77 5.766 -18.451 6.514 1.00 0.00 C ATOM 0 H VAL A 77 6.782 -21.136 6.119 1.00 0.00 H new ATOM 0 HA VAL A 77 5.411 -20.334 3.645 1.00 0.00 H new ATOM 0 HB VAL A 77 4.810 -18.187 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.103 -18.915 6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.182 -19.998 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.911 -20.495 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.127 -17.733 7.028 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.020 -19.263 7.195 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.679 -17.954 6.186 1.00 0.00 H new ATOM 1112 N TYR A 78 7.193 -18.365 3.355 1.00 0.00 N ATOM 1113 CA TYR A 78 8.396 -17.653 2.938 1.00 0.00 C ATOM 1114 C TYR A 78 8.942 -16.794 4.074 1.00 0.00 C ATOM 1115 O TYR A 78 8.440 -15.702 4.339 1.00 0.00 O ATOM 1116 CB TYR A 78 8.099 -16.777 1.719 1.00 0.00 C ATOM 1117 CG TYR A 78 8.696 -17.306 0.434 1.00 0.00 C ATOM 1118 CD1 TYR A 78 10.064 -17.513 0.314 1.00 0.00 C ATOM 1119 CD2 TYR A 78 7.890 -17.598 -0.660 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.613 -17.995 -0.858 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.431 -18.081 -1.836 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.792 -18.278 -1.930 1.00 0.00 C ATOM 1123 OH TYR A 78 10.335 -18.759 -3.099 1.00 0.00 O ATOM 0 H TYR A 78 6.331 -18.020 2.932 1.00 0.00 H new ATOM 0 HA TYR A 78 9.151 -18.393 2.671 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.019 -16.689 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.482 -15.773 1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.710 -17.293 1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.823 -17.445 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.679 -18.150 -0.935 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.791 -18.303 -2.677 1.00 0.00 H new ATOM 0 HH TYR A 78 11.142 -19.276 -2.896 1.00 0.00 H new ATOM 1133 N SER A 79 9.975 -17.297 4.743 1.00 0.00 N ATOM 1134 CA SER A 79 10.590 -16.578 5.854 1.00 0.00 C ATOM 1135 C SER A 79 11.160 -15.243 5.387 1.00 0.00 C ATOM 1136 O SER A 79 11.987 -15.191 4.476 1.00 0.00 O ATOM 1137 CB SER A 79 11.695 -17.425 6.487 1.00 0.00 C ATOM 1138 OG SER A 79 11.961 -17.006 7.815 1.00 0.00 O ATOM 0 H SER A 79 10.404 -18.199 4.535 1.00 0.00 H new ATOM 0 HA SER A 79 9.820 -16.383 6.600 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.399 -18.474 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.603 -17.349 5.889 1.00 0.00 H new ATOM 0 HG SER A 79 12.901 -17.180 8.031 1.00 0.00 H new ATOM 1144 N LYS A 80 10.713 -14.163 6.019 1.00 0.00 N ATOM 1145 CA LYS A 80 11.179 -12.825 5.672 1.00 0.00 C ATOM 1146 C LYS A 80 12.685 -12.702 5.881 1.00 0.00 C ATOM 1147 O LYS A 80 13.307 -11.738 5.433 1.00 0.00 O ATOM 1148 CB LYS A 80 10.449 -11.775 6.513 1.00 0.00 C ATOM 1149 CG LYS A 80 10.917 -11.720 7.957 1.00 0.00 C ATOM 1150 CD LYS A 80 9.919 -10.988 8.838 1.00 0.00 C ATOM 1151 CE LYS A 80 10.356 -10.988 10.295 1.00 0.00 C ATOM 1152 NZ LYS A 80 11.419 -9.977 10.555 1.00 0.00 N ATOM 0 H LYS A 80 10.028 -14.188 6.775 1.00 0.00 H new ATOM 0 HA LYS A 80 10.961 -12.653 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.589 -10.795 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.380 -11.986 6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.061 -12.733 8.333 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.884 -11.220 8.008 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.810 -9.961 8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.940 -11.460 8.751 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.496 -10.783 10.932 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.723 -11.978 10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.690 -10.008 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.250 -10.187 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.061 -9.029 10.322 1.00 0.00 H new