USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 801 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 78 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.084) USER MOD Set 1.2: A 86 THR OG1 : rot -120:sc= -2.47 USER MOD Set 2.1: A 71 ASN : amide:sc= -6.38! C(o=-6.6!,f=-6.6!) USER MOD Set 2.2: A 90 SER OG : rot 110:sc= -0.241 USER MOD Set 3.1: A 19 ASN :FLIP amide:sc= -0.0901 F(o=-4.1,f=-2) USER MOD Set 3.2: A 57 LYS NZ :NH3+ -136:sc= -1.89 (180deg=-5.51!) USER MOD Set 4.1: A 31 LYS NZ :NH3+ -149:sc= -0.341 (180deg=-1.65!) USER MOD Set 4.2: A 47 LYS NZ :NH3+ -100:sc= -0.028 (180deg=0) USER MOD Set 5.1: A 35 SER OG : rot 150:sc=-0.00419 USER MOD Set 5.2: A 38 ASN : amide:sc= -6.9! C(o=-6.9!,f=-11!) USER MOD Set 6.1: A 33 ASN : amide:sc= -5.04! C(o=-4.5!,f=-7.9!) USER MOD Set 6.2: A 36 LYS NZ :NH3+ 139:sc= 0.552 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.48 USER MOD Single : A 21 SER OG : rot -40:sc= -1.79 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -2.76 X(o=-2.8,f=-2.3) USER MOD Single : A 48 SER OG : rot 180:sc= -0.014 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.0614 F(o=-0.78,f=-0.061) USER MOD Single : A 56 SER OG : rot -77:sc= 0.572 USER MOD Single : A 64 ASN : amide:sc= -1.52! C(o=-1.5!,f=-6!) USER MOD Single : A 66 GLN : amide:sc= -2.73 K(o=-2.7,f=-4.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.7) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.547 F(o=-1.8,f=-0.55) USER MOD Single : A 84 MET CE :methyl -127:sc= -5.51! (180deg=-9.62!) USER MOD Single : A 91 MET CE :methyl 156:sc= -3.2 (180deg=-3.97!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -63:sc= 0.145 USER MOD Single : A 96 ASN :FLIP amide:sc= -4.57! C(o=-7!,f=-4.6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -155:sc= -2.53 (180deg=-5.07!) USER MOD Single : A 102 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -5.030 -9.472 -17.425 1.00 0.00 N ATOM 2 CA GLY A 7 -6.353 -9.158 -16.925 1.00 0.00 C ATOM 3 C GLY A 7 -6.454 -9.300 -15.420 1.00 0.00 C ATOM 4 O GLY A 7 -7.532 -9.573 -14.894 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.612 -8.138 -17.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.082 -9.816 -17.398 1.00 0.00 H new ATOM 8 N THR A 8 -5.328 -9.112 -14.731 1.00 0.00 N ATOM 9 CA THR A 8 -5.284 -9.215 -13.276 1.00 0.00 C ATOM 10 C THR A 8 -4.006 -8.585 -12.724 1.00 0.00 C ATOM 11 O THR A 8 -2.927 -8.757 -13.286 1.00 0.00 O ATOM 12 CB THR A 8 -5.372 -10.672 -12.830 1.00 0.00 C ATOM 13 OG1 THR A 8 -4.393 -11.460 -13.484 1.00 0.00 O ATOM 14 CG2 THR A 8 -6.723 -11.305 -13.086 1.00 0.00 C ATOM 0 H THR A 8 -4.431 -8.887 -15.162 1.00 0.00 H new ATOM 0 HA THR A 8 -6.144 -8.673 -12.881 1.00 0.00 H new ATOM 0 HB THR A 8 -5.204 -10.649 -11.753 1.00 0.00 H new ATOM 0 HG1 THR A 8 -4.466 -12.390 -13.182 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.711 -12.340 -12.744 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.492 -10.753 -12.545 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.941 -11.279 -14.154 1.00 0.00 H new ATOM 22 N ARG A 9 -4.155 -7.854 -11.621 1.00 0.00 N ATOM 23 CA ARG A 9 -3.041 -7.173 -10.958 1.00 0.00 C ATOM 24 C ARG A 9 -2.213 -6.348 -11.940 1.00 0.00 C ATOM 25 O ARG A 9 -1.691 -6.860 -12.930 1.00 0.00 O ATOM 26 CB ARG A 9 -2.158 -8.175 -10.201 1.00 0.00 C ATOM 27 CG ARG A 9 -1.247 -8.997 -11.091 1.00 0.00 C ATOM 28 CD ARG A 9 -0.251 -9.803 -10.273 1.00 0.00 C ATOM 29 NE ARG A 9 0.876 -10.262 -11.080 1.00 0.00 N ATOM 30 CZ ARG A 9 1.726 -11.209 -10.696 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.582 -11.804 -9.518 1.00 0.00 N ATOM 32 NH2 ARG A 9 2.726 -11.565 -11.492 1.00 0.00 N ATOM 0 H ARG A 9 -5.054 -7.716 -11.159 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.469 -6.480 -10.234 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -1.548 -7.632 -9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.798 -8.850 -9.633 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.846 -9.670 -11.704 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.710 -8.337 -11.773 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.118 -9.193 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.755 -10.663 -9.833 1.00 0.00 H new ATOM 0 HE ARG A 9 1.020 -9.830 -11.993 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.815 -11.535 -8.901 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.238 -12.530 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.842 -11.112 -12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.378 -12.292 -11.197 1.00 0.00 H new ATOM 46 N GLU A 10 -2.104 -5.058 -11.654 1.00 0.00 N ATOM 47 CA GLU A 10 -1.351 -4.146 -12.503 1.00 0.00 C ATOM 48 C GLU A 10 -0.627 -3.096 -11.664 1.00 0.00 C ATOM 49 O GLU A 10 -1.177 -2.579 -10.690 1.00 0.00 O ATOM 50 CB GLU A 10 -2.288 -3.464 -13.501 1.00 0.00 C ATOM 51 CG GLU A 10 -3.543 -2.891 -12.861 1.00 0.00 C ATOM 52 CD GLU A 10 -4.102 -1.708 -13.628 1.00 0.00 C ATOM 53 OE1 GLU A 10 -3.358 -1.126 -14.446 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.283 -1.367 -13.412 1.00 0.00 O ATOM 0 H GLU A 10 -2.529 -4.619 -10.838 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.605 -4.723 -13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.748 -2.662 -14.005 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.577 -4.184 -14.267 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.303 -3.670 -12.799 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.317 -2.583 -11.840 1.00 0.00 H new ATOM 61 N PHE A 11 0.608 -2.788 -12.046 1.00 0.00 N ATOM 62 CA PHE A 11 1.407 -1.800 -11.329 1.00 0.00 C ATOM 63 C PHE A 11 0.982 -0.384 -11.705 1.00 0.00 C ATOM 64 O PHE A 11 0.688 -0.103 -12.865 1.00 0.00 O ATOM 65 CB PHE A 11 2.893 -1.996 -11.634 1.00 0.00 C ATOM 66 CG PHE A 11 3.486 -3.209 -10.978 1.00 0.00 C ATOM 67 CD1 PHE A 11 3.234 -3.486 -9.644 1.00 0.00 C ATOM 68 CD2 PHE A 11 4.296 -4.075 -11.696 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.779 -4.601 -9.037 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.844 -5.193 -11.096 1.00 0.00 C ATOM 71 CZ PHE A 11 4.584 -5.457 -9.765 1.00 0.00 C ATOM 0 H PHE A 11 1.078 -3.208 -12.848 1.00 0.00 H new ATOM 0 HA PHE A 11 1.241 -1.940 -10.261 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.027 -2.075 -12.713 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.442 -1.112 -11.309 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.604 -2.822 -9.071 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.501 -3.874 -12.737 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.576 -4.803 -7.996 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.474 -5.859 -11.667 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.009 -6.331 -9.294 1.00 0.00 H new ATOM 81 N LEU A 12 0.948 0.504 -10.715 1.00 0.00 N ATOM 82 CA LEU A 12 0.555 1.889 -10.953 1.00 0.00 C ATOM 83 C LEU A 12 1.434 2.856 -10.169 1.00 0.00 C ATOM 84 O LEU A 12 1.756 2.618 -9.006 1.00 0.00 O ATOM 85 CB LEU A 12 -0.911 2.104 -10.569 1.00 0.00 C ATOM 86 CG LEU A 12 -1.844 0.937 -10.894 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.033 0.925 -9.946 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.311 1.012 -12.339 1.00 0.00 C ATOM 0 H LEU A 12 1.186 0.291 -9.746 1.00 0.00 H new ATOM 0 HA LEU A 12 0.683 2.089 -12.017 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.965 2.305 -9.499 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.277 2.995 -11.079 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.291 0.007 -10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.686 0.088 -10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.679 0.820 -8.920 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.587 1.859 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.974 0.173 -12.551 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.847 1.948 -12.500 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.448 0.969 -13.003 1.00 0.00 H new ATOM 100 N THR A 13 1.807 3.953 -10.817 1.00 0.00 N ATOM 101 CA THR A 13 2.638 4.971 -10.186 1.00 0.00 C ATOM 102 C THR A 13 1.776 6.131 -9.701 1.00 0.00 C ATOM 103 O THR A 13 0.818 6.521 -10.367 1.00 0.00 O ATOM 104 CB THR A 13 3.694 5.482 -11.168 1.00 0.00 C ATOM 105 OG1 THR A 13 4.356 4.401 -11.800 1.00 0.00 O ATOM 106 CG2 THR A 13 4.750 6.347 -10.512 1.00 0.00 C ATOM 0 H THR A 13 1.547 4.161 -11.781 1.00 0.00 H new ATOM 0 HA THR A 13 3.142 4.522 -9.330 1.00 0.00 H new ATOM 0 HB THR A 13 3.148 6.087 -11.892 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.026 4.748 -12.425 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.468 6.677 -11.263 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.276 7.217 -10.056 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.266 5.771 -9.744 1.00 0.00 H new ATOM 114 N PHE A 14 2.109 6.674 -8.534 1.00 0.00 N ATOM 115 CA PHE A 14 1.342 7.779 -7.972 1.00 0.00 C ATOM 116 C PHE A 14 2.247 8.836 -7.344 1.00 0.00 C ATOM 117 O PHE A 14 3.089 8.529 -6.500 1.00 0.00 O ATOM 118 CB PHE A 14 0.357 7.256 -6.927 1.00 0.00 C ATOM 119 CG PHE A 14 -0.690 6.337 -7.491 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.333 6.643 -8.681 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.033 5.167 -6.831 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.297 5.801 -9.200 1.00 0.00 C ATOM 123 CE2 PHE A 14 -1.996 4.320 -7.347 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.628 4.638 -8.533 1.00 0.00 C ATOM 0 H PHE A 14 2.898 6.370 -7.964 1.00 0.00 H new ATOM 0 HA PHE A 14 0.795 8.249 -8.790 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.911 6.728 -6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.135 8.103 -6.448 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.077 7.550 -9.208 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.542 4.914 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.792 6.052 -10.127 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.254 3.411 -6.824 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.380 3.978 -8.938 1.00 0.00 H new ATOM 134 N GLU A 15 2.047 10.087 -7.750 1.00 0.00 N ATOM 135 CA GLU A 15 2.820 11.205 -7.221 1.00 0.00 C ATOM 136 C GLU A 15 1.993 11.959 -6.185 1.00 0.00 C ATOM 137 O GLU A 15 1.054 12.678 -6.530 1.00 0.00 O ATOM 138 CB GLU A 15 3.237 12.149 -8.350 1.00 0.00 C ATOM 139 CG GLU A 15 3.837 11.433 -9.549 1.00 0.00 C ATOM 140 CD GLU A 15 2.837 11.234 -10.671 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.696 10.815 -10.381 1.00 0.00 O ATOM 142 OE2 GLU A 15 3.194 11.497 -11.839 1.00 0.00 O ATOM 0 H GLU A 15 1.352 10.352 -8.448 1.00 0.00 H new ATOM 0 HA GLU A 15 3.721 10.816 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.367 12.720 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.962 12.866 -7.964 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.686 12.006 -9.922 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.221 10.463 -9.233 1.00 0.00 H new ATOM 149 N VAL A 16 2.332 11.776 -4.914 1.00 0.00 N ATOM 150 CA VAL A 16 1.602 12.424 -3.829 1.00 0.00 C ATOM 151 C VAL A 16 2.357 13.638 -3.288 1.00 0.00 C ATOM 152 O VAL A 16 3.416 13.498 -2.678 1.00 0.00 O ATOM 153 CB VAL A 16 1.326 11.444 -2.668 1.00 0.00 C ATOM 154 CG1 VAL A 16 -0.045 11.709 -2.065 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.434 9.999 -3.135 1.00 0.00 C ATOM 0 H VAL A 16 3.106 11.186 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 16 0.653 12.755 -4.251 1.00 0.00 H new ATOM 0 HB VAL A 16 2.082 11.607 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.224 11.010 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.084 12.730 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.810 11.577 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.235 9.330 -2.298 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.706 9.817 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.438 9.814 -3.516 1.00 0.00 H new ATOM 165 N PRO A 17 1.818 14.854 -3.507 1.00 0.00 N ATOM 166 CA PRO A 17 2.442 16.094 -3.040 1.00 0.00 C ATOM 167 C PRO A 17 2.161 16.379 -1.566 1.00 0.00 C ATOM 168 O PRO A 17 1.122 16.943 -1.225 1.00 0.00 O ATOM 169 CB PRO A 17 1.786 17.154 -3.920 1.00 0.00 C ATOM 170 CG PRO A 17 0.422 16.618 -4.190 1.00 0.00 C ATOM 171 CD PRO A 17 0.555 15.117 -4.227 1.00 0.00 C ATOM 0 HA PRO A 17 3.529 16.058 -3.113 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.741 18.118 -3.414 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.344 17.304 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.278 16.927 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.036 16.997 -5.136 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.290 14.629 -3.742 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.594 14.745 -5.251 1.00 0.00 H new ATOM 179 N LEU A 18 3.099 16.005 -0.696 1.00 0.00 N ATOM 180 CA LEU A 18 2.947 16.235 0.738 1.00 0.00 C ATOM 181 C LEU A 18 3.505 17.595 1.136 1.00 0.00 C ATOM 182 O LEU A 18 3.883 17.812 2.286 1.00 0.00 O ATOM 183 CB LEU A 18 3.645 15.140 1.535 1.00 0.00 C ATOM 184 CG LEU A 18 5.166 15.197 1.477 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.731 15.779 2.768 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.741 13.815 1.216 1.00 0.00 C ATOM 0 H LEU A 18 3.969 15.543 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 18 1.881 16.216 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.330 15.207 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.315 14.170 1.164 1.00 0.00 H new ATOM 0 HG LEU A 18 5.454 15.850 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.819 15.811 2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.345 16.788 2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.433 15.154 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.829 13.875 1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.443 13.139 2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.365 13.438 0.265 1.00 0.00 H new ATOM 198 N ASN A 19 3.544 18.504 0.172 1.00 0.00 N ATOM 199 CA ASN A 19 4.040 19.860 0.387 1.00 0.00 C ATOM 200 C ASN A 19 3.592 20.420 1.738 1.00 0.00 C ATOM 201 O ASN A 19 4.288 21.232 2.347 1.00 0.00 O ATOM 202 CB ASN A 19 3.553 20.768 -0.747 1.00 0.00 C ATOM 203 CG ASN A 19 2.081 21.139 -0.614 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.216 20.134 -0.486 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.727 22.318 -0.627 1.00 0.00 N flip ATOM 0 H ASN A 19 3.233 18.324 -0.783 1.00 0.00 H new ATOM 0 HA ASN A 19 5.129 19.826 0.392 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.153 21.678 -0.761 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.712 20.267 -1.702 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.422 23.058 -0.727 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.739 22.555 -0.538 1.00 0.00 H new ATOM 212 N ASP A 20 2.423 19.979 2.195 1.00 0.00 N ATOM 213 CA ASP A 20 1.880 20.434 3.468 1.00 0.00 C ATOM 214 C ASP A 20 1.221 19.282 4.224 1.00 0.00 C ATOM 215 O ASP A 20 0.327 19.496 5.044 1.00 0.00 O ATOM 216 CB ASP A 20 0.868 21.559 3.242 1.00 0.00 C ATOM 217 CG ASP A 20 1.007 22.675 4.257 1.00 0.00 C ATOM 218 OD1 ASP A 20 1.509 22.407 5.369 1.00 0.00 O ATOM 219 OD2 ASP A 20 0.614 23.818 3.941 1.00 0.00 O ATOM 0 H ASP A 20 1.835 19.307 1.702 1.00 0.00 H new ATOM 0 HA ASP A 20 2.705 20.813 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.999 21.966 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.142 21.151 3.291 1.00 0.00 H new ATOM 224 N SER A 21 1.668 18.063 3.943 1.00 0.00 N ATOM 225 CA SER A 21 1.124 16.878 4.597 1.00 0.00 C ATOM 226 C SER A 21 2.162 16.227 5.508 1.00 0.00 C ATOM 227 O SER A 21 1.820 15.433 6.383 1.00 0.00 O ATOM 228 CB SER A 21 0.644 15.870 3.552 1.00 0.00 C ATOM 229 OG SER A 21 -0.364 15.025 4.083 1.00 0.00 O ATOM 0 H SER A 21 2.406 17.869 3.266 1.00 0.00 H new ATOM 0 HA SER A 21 0.278 17.191 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.257 16.400 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.485 15.267 3.210 1.00 0.00 H new ATOM 0 HG SER A 21 -0.137 14.784 5.005 1.00 0.00 H new ATOM 235 N GLY A 22 3.434 16.567 5.296 1.00 0.00 N ATOM 236 CA GLY A 22 4.504 16.005 6.107 1.00 0.00 C ATOM 237 C GLY A 22 4.189 16.024 7.591 1.00 0.00 C ATOM 238 O GLY A 22 4.475 15.062 8.304 1.00 0.00 O ATOM 0 H GLY A 22 3.742 17.222 4.577 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.691 14.978 5.793 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.422 16.565 5.928 1.00 0.00 H new ATOM 242 N SER A 23 3.592 17.118 8.056 1.00 0.00 N ATOM 243 CA SER A 23 3.232 17.250 9.465 1.00 0.00 C ATOM 244 C SER A 23 2.323 16.102 9.893 1.00 0.00 C ATOM 245 O SER A 23 2.360 15.661 11.043 1.00 0.00 O ATOM 246 CB SER A 23 2.535 18.590 9.712 1.00 0.00 C ATOM 247 OG SER A 23 2.072 18.683 11.048 1.00 0.00 O ATOM 0 H SER A 23 3.348 17.924 7.480 1.00 0.00 H new ATOM 0 HA SER A 23 4.145 17.213 10.059 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.226 19.407 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.697 18.700 9.024 1.00 0.00 H new ATOM 0 HG SER A 23 1.632 19.548 11.182 1.00 0.00 H new ATOM 253 N ALA A 24 1.513 15.621 8.956 1.00 0.00 N ATOM 254 CA ALA A 24 0.598 14.520 9.225 1.00 0.00 C ATOM 255 C ALA A 24 1.197 13.192 8.769 1.00 0.00 C ATOM 256 O ALA A 24 0.877 12.134 9.312 1.00 0.00 O ATOM 257 CB ALA A 24 -0.734 14.763 8.532 1.00 0.00 C ATOM 0 H ALA A 24 1.472 15.978 8.001 1.00 0.00 H new ATOM 0 HA ALA A 24 0.432 14.468 10.301 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.409 13.933 8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.173 15.690 8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.576 14.840 7.456 1.00 0.00 H new ATOM 263 N GLY A 25 2.069 13.258 7.767 1.00 0.00 N ATOM 264 CA GLY A 25 2.701 12.060 7.251 1.00 0.00 C ATOM 265 C GLY A 25 2.141 11.646 5.906 1.00 0.00 C ATOM 266 O GLY A 25 1.989 10.457 5.631 1.00 0.00 O ATOM 0 H GLY A 25 2.349 14.122 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.774 12.229 7.158 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.567 11.246 7.964 1.00 0.00 H new ATOM 270 N LEU A 26 1.840 12.639 5.069 1.00 0.00 N ATOM 271 CA LEU A 26 1.294 12.411 3.728 1.00 0.00 C ATOM 272 C LEU A 26 -0.221 12.224 3.746 1.00 0.00 C ATOM 273 O LEU A 26 -0.873 12.352 2.709 1.00 0.00 O ATOM 274 CB LEU A 26 1.953 11.203 3.054 1.00 0.00 C ATOM 275 CG LEU A 26 1.603 11.026 1.577 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.026 12.250 0.781 1.00 0.00 C ATOM 277 CD2 LEU A 26 2.264 9.777 1.018 1.00 0.00 C ATOM 0 H LEU A 26 1.967 13.624 5.300 1.00 0.00 H new ATOM 0 HA LEU A 26 1.519 13.307 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.035 11.297 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.663 10.301 3.593 1.00 0.00 H new ATOM 0 HG LEU A 26 0.522 10.912 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.770 12.108 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.510 13.130 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.103 12.391 0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.003 9.667 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.346 9.863 1.117 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.917 8.904 1.570 1.00 0.00 H new ATOM 289 N GLY A 27 -0.785 11.917 4.910 1.00 0.00 N ATOM 290 CA GLY A 27 -2.215 11.723 4.997 1.00 0.00 C ATOM 291 C GLY A 27 -2.640 10.345 4.536 1.00 0.00 C ATOM 292 O GLY A 27 -3.469 10.213 3.637 1.00 0.00 O ATOM 0 H GLY A 27 -0.278 11.800 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.537 11.874 6.027 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.719 12.477 4.392 1.00 0.00 H new ATOM 296 N VAL A 28 -2.078 9.315 5.162 1.00 0.00 N ATOM 297 CA VAL A 28 -2.413 7.934 4.822 1.00 0.00 C ATOM 298 C VAL A 28 -1.758 6.953 5.790 1.00 0.00 C ATOM 299 O VAL A 28 -0.804 7.295 6.490 1.00 0.00 O ATOM 300 CB VAL A 28 -1.989 7.564 3.381 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.198 7.514 2.459 1.00 0.00 C ATOM 302 CG2 VAL A 28 -0.941 8.533 2.849 1.00 0.00 C ATOM 0 H VAL A 28 -1.388 9.410 5.908 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.498 7.861 4.897 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.540 6.571 3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.876 7.252 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.901 6.764 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.684 8.490 2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.663 8.247 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.350 9.543 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.059 8.503 3.489 1.00 0.00 H new ATOM 312 N SER A 29 -2.277 5.731 5.815 1.00 0.00 N ATOM 313 CA SER A 29 -1.751 4.686 6.684 1.00 0.00 C ATOM 314 C SER A 29 -1.761 3.345 5.960 1.00 0.00 C ATOM 315 O SER A 29 -2.613 3.100 5.109 1.00 0.00 O ATOM 316 CB SER A 29 -2.576 4.596 7.969 1.00 0.00 C ATOM 317 OG SER A 29 -1.748 4.332 9.089 1.00 0.00 O ATOM 0 H SER A 29 -3.067 5.439 5.239 1.00 0.00 H new ATOM 0 HA SER A 29 -0.723 4.937 6.946 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.116 5.530 8.124 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.323 3.808 7.871 1.00 0.00 H new ATOM 0 HG SER A 29 -2.299 4.281 9.898 1.00 0.00 H new ATOM 323 N VAL A 30 -0.808 2.481 6.294 1.00 0.00 N ATOM 324 CA VAL A 30 -0.718 1.171 5.662 1.00 0.00 C ATOM 325 C VAL A 30 -0.435 0.075 6.679 1.00 0.00 C ATOM 326 O VAL A 30 0.201 0.312 7.706 1.00 0.00 O ATOM 327 CB VAL A 30 0.374 1.143 4.576 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.142 1.768 3.288 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.629 1.853 5.058 1.00 0.00 C ATOM 0 H VAL A 30 -0.090 2.664 6.996 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.687 0.984 5.200 1.00 0.00 H new ATOM 0 HB VAL A 30 0.632 0.104 4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.642 1.740 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.008 1.209 2.934 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.429 2.803 3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.388 1.822 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.392 2.891 5.293 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.008 1.356 5.951 1.00 0.00 H new ATOM 339 N LYS A 31 -0.913 -1.129 6.382 1.00 0.00 N ATOM 340 CA LYS A 31 -0.716 -2.273 7.263 1.00 0.00 C ATOM 341 C LYS A 31 -0.157 -3.463 6.486 1.00 0.00 C ATOM 342 O LYS A 31 -0.638 -3.789 5.401 1.00 0.00 O ATOM 343 CB LYS A 31 -2.037 -2.643 7.951 1.00 0.00 C ATOM 344 CG LYS A 31 -2.896 -3.624 7.168 1.00 0.00 C ATOM 345 CD LYS A 31 -2.468 -5.057 7.433 1.00 0.00 C ATOM 346 CE LYS A 31 -3.646 -6.016 7.361 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.789 -5.556 8.197 1.00 0.00 N ATOM 0 H LYS A 31 -1.441 -1.337 5.535 1.00 0.00 H new ATOM 0 HA LYS A 31 0.010 -2.002 8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.817 -3.071 8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.611 -1.733 8.124 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.943 -3.497 7.444 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.819 -3.409 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.713 -5.352 6.705 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.004 -5.123 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.971 -6.115 6.325 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.329 -7.005 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.313 -6.381 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.430 -5.001 9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.423 -4.965 7.623 1.00 0.00 H new ATOM 361 N GLY A 32 0.860 -4.105 7.049 1.00 0.00 N ATOM 362 CA GLY A 32 1.465 -5.250 6.397 1.00 0.00 C ATOM 363 C GLY A 32 0.869 -6.561 6.868 1.00 0.00 C ATOM 364 O GLY A 32 0.761 -6.803 8.070 1.00 0.00 O ATOM 0 H GLY A 32 1.276 -3.853 7.945 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.336 -5.161 5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.538 -5.251 6.590 1.00 0.00 H new ATOM 368 N ASN A 33 0.477 -7.409 5.922 1.00 0.00 N ATOM 369 CA ASN A 33 -0.116 -8.696 6.254 1.00 0.00 C ATOM 370 C ASN A 33 0.786 -9.842 5.796 1.00 0.00 C ATOM 371 O ASN A 33 1.439 -9.752 4.757 1.00 0.00 O ATOM 372 CB ASN A 33 -1.509 -8.795 5.621 1.00 0.00 C ATOM 373 CG ASN A 33 -1.825 -10.167 5.067 1.00 0.00 C ATOM 374 OD1 ASN A 33 -1.884 -11.153 5.804 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.033 -10.234 3.761 1.00 0.00 N ATOM 0 H ASN A 33 0.560 -7.227 4.922 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.218 -8.777 7.336 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.258 -8.532 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.588 -8.061 4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.253 -11.129 3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.973 -9.390 3.191 1.00 0.00 H new ATOM 382 N ARG A 34 0.819 -10.913 6.582 1.00 0.00 N ATOM 383 CA ARG A 34 1.642 -12.073 6.262 1.00 0.00 C ATOM 384 C ARG A 34 0.807 -13.177 5.621 1.00 0.00 C ATOM 385 O ARG A 34 -0.421 -13.141 5.656 1.00 0.00 O ATOM 386 CB ARG A 34 2.324 -12.602 7.525 1.00 0.00 C ATOM 387 CG ARG A 34 2.940 -11.513 8.386 1.00 0.00 C ATOM 388 CD ARG A 34 4.265 -11.956 8.986 1.00 0.00 C ATOM 389 NE ARG A 34 4.842 -10.932 9.854 1.00 0.00 N ATOM 390 CZ ARG A 34 4.353 -10.612 11.050 1.00 0.00 C ATOM 391 NH1 ARG A 34 3.277 -11.229 11.521 1.00 0.00 N ATOM 392 NH2 ARG A 34 4.941 -9.670 11.775 1.00 0.00 N ATOM 0 H ARG A 34 0.284 -11.001 7.446 1.00 0.00 H new ATOM 0 HA ARG A 34 2.403 -11.760 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.594 -13.153 8.118 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.102 -13.310 7.238 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.094 -10.617 7.785 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.249 -11.246 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.116 -12.873 9.556 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.966 -12.189 8.185 1.00 0.00 H new ATOM 0 HE ARG A 34 5.668 -10.433 9.524 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.820 -11.953 10.966 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.907 -10.980 12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.767 -9.191 11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.567 -9.424 12.692 1.00 0.00 H new ATOM 406 N SER A 35 1.487 -14.158 5.033 1.00 0.00 N ATOM 407 CA SER A 35 0.815 -15.278 4.380 1.00 0.00 C ATOM 408 C SER A 35 -0.277 -15.865 5.270 1.00 0.00 C ATOM 409 O SER A 35 -0.217 -15.754 6.496 1.00 0.00 O ATOM 410 CB SER A 35 1.830 -16.364 4.019 1.00 0.00 C ATOM 411 OG SER A 35 1.239 -17.366 3.208 1.00 0.00 O ATOM 0 H SER A 35 2.505 -14.200 4.995 1.00 0.00 H new ATOM 0 HA SER A 35 0.347 -14.903 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.674 -15.917 3.493 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.224 -16.815 4.930 1.00 0.00 H new ATOM 0 HG SER A 35 1.918 -17.750 2.615 1.00 0.00 H new ATOM 417 N LYS A 36 -1.271 -16.485 4.648 1.00 0.00 N ATOM 418 CA LYS A 36 -2.376 -17.089 5.383 1.00 0.00 C ATOM 419 C LYS A 36 -1.987 -18.460 5.933 1.00 0.00 C ATOM 420 O LYS A 36 -2.596 -18.953 6.879 1.00 0.00 O ATOM 421 CB LYS A 36 -3.605 -17.219 4.483 1.00 0.00 C ATOM 422 CG LYS A 36 -4.025 -15.908 3.836 1.00 0.00 C ATOM 423 CD LYS A 36 -5.038 -15.164 4.693 1.00 0.00 C ATOM 424 CE LYS A 36 -4.807 -13.662 4.648 1.00 0.00 C ATOM 425 NZ LYS A 36 -4.063 -13.180 5.845 1.00 0.00 N ATOM 0 H LYS A 36 -1.335 -16.583 3.635 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.615 -16.437 6.223 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.398 -17.950 3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.437 -17.608 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.148 -15.280 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.454 -16.106 2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.046 -15.389 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.971 -15.513 5.723 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.250 -13.407 3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.766 -13.149 4.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.360 -12.471 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.729 -12.751 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.580 -13.981 6.299 1.00 0.00 H new ATOM 439 N GLU A 37 -0.969 -19.070 5.332 1.00 0.00 N ATOM 440 CA GLU A 37 -0.505 -20.383 5.763 1.00 0.00 C ATOM 441 C GLU A 37 0.666 -20.256 6.733 1.00 0.00 C ATOM 442 O GLU A 37 0.854 -21.102 7.607 1.00 0.00 O ATOM 443 CB GLU A 37 -0.092 -21.224 4.555 1.00 0.00 C ATOM 444 CG GLU A 37 -1.132 -21.246 3.446 1.00 0.00 C ATOM 445 CD GLU A 37 -2.325 -22.117 3.785 1.00 0.00 C ATOM 446 OE1 GLU A 37 -2.151 -23.350 3.885 1.00 0.00 O ATOM 447 OE2 GLU A 37 -3.436 -21.568 3.947 1.00 0.00 O ATOM 0 H GLU A 37 -0.451 -18.676 4.547 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.328 -20.879 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.845 -20.836 4.156 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.100 -22.246 4.882 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.473 -20.229 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.671 -21.609 2.527 1.00 0.00 H new ATOM 454 N ASN A 38 1.452 -19.196 6.572 1.00 0.00 N ATOM 455 CA ASN A 38 2.604 -18.961 7.434 1.00 0.00 C ATOM 456 C ASN A 38 2.764 -17.476 7.738 1.00 0.00 C ATOM 457 O ASN A 38 1.873 -16.675 7.458 1.00 0.00 O ATOM 458 CB ASN A 38 3.877 -19.509 6.778 1.00 0.00 C ATOM 459 CG ASN A 38 4.306 -18.703 5.566 1.00 0.00 C ATOM 460 OD1 ASN A 38 5.367 -18.078 5.567 1.00 0.00 O ATOM 461 ND2 ASN A 38 3.484 -18.713 4.521 1.00 0.00 N ATOM 0 H ASN A 38 1.312 -18.487 5.853 1.00 0.00 H new ATOM 0 HA ASN A 38 2.437 -19.484 8.375 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.685 -19.514 7.510 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.710 -20.544 6.480 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.723 -18.190 3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.614 -19.244 4.561 1.00 0.00 H new ATOM 468 N HIS A 39 3.907 -17.113 8.314 1.00 0.00 N ATOM 469 CA HIS A 39 4.185 -15.721 8.654 1.00 0.00 C ATOM 470 C HIS A 39 5.030 -15.056 7.570 1.00 0.00 C ATOM 471 O HIS A 39 5.867 -14.201 7.857 1.00 0.00 O ATOM 472 CB HIS A 39 4.900 -15.640 10.007 1.00 0.00 C ATOM 473 CG HIS A 39 4.077 -15.000 11.084 1.00 0.00 C ATOM 474 ND1 HIS A 39 4.503 -14.893 12.392 1.00 0.00 N ATOM 475 CD2 HIS A 39 2.849 -14.432 11.043 1.00 0.00 C ATOM 476 CE1 HIS A 39 3.572 -14.288 13.107 1.00 0.00 C ATOM 477 NE2 HIS A 39 2.559 -13.997 12.314 1.00 0.00 N ATOM 0 H HIS A 39 4.655 -17.763 8.555 1.00 0.00 H new ATOM 0 HA HIS A 39 3.236 -15.189 8.723 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.177 -16.646 10.323 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.826 -15.077 9.886 1.00 0.00 H new ATOM 0 HD2 HIS A 39 2.215 -14.338 10.174 1.00 0.00 H new ATOM 0 HE1 HIS A 39 3.630 -14.069 14.163 1.00 0.00 H new ATOM 0 HE2 HIS A 39 1.700 -13.526 12.598 1.00 0.00 H new ATOM 486 N ALA A 40 4.802 -15.457 6.324 1.00 0.00 N ATOM 487 CA ALA A 40 5.540 -14.903 5.194 1.00 0.00 C ATOM 488 C ALA A 40 5.039 -13.507 4.842 1.00 0.00 C ATOM 489 O ALA A 40 3.867 -13.323 4.514 1.00 0.00 O ATOM 490 CB ALA A 40 5.425 -15.827 3.991 1.00 0.00 C ATOM 0 H ALA A 40 4.112 -16.164 6.071 1.00 0.00 H new ATOM 0 HA ALA A 40 6.589 -14.821 5.479 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.979 -15.404 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.837 -16.804 4.242 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.376 -15.935 3.714 1.00 0.00 H new ATOM 496 N ASP A 41 5.934 -12.527 4.908 1.00 0.00 N ATOM 497 CA ASP A 41 5.581 -11.147 4.592 1.00 0.00 C ATOM 498 C ASP A 41 4.996 -11.041 3.188 1.00 0.00 C ATOM 499 O ASP A 41 5.544 -11.590 2.233 1.00 0.00 O ATOM 500 CB ASP A 41 6.809 -10.244 4.715 1.00 0.00 C ATOM 501 CG ASP A 41 7.507 -10.395 6.052 1.00 0.00 C ATOM 502 OD1 ASP A 41 6.856 -10.159 7.092 1.00 0.00 O ATOM 503 OD2 ASP A 41 8.705 -10.749 6.061 1.00 0.00 O ATOM 0 H ASP A 41 6.908 -12.662 5.177 1.00 0.00 H new ATOM 0 HA ASP A 41 4.825 -10.820 5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.510 -10.478 3.914 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.507 -9.205 4.581 1.00 0.00 H new ATOM 508 N LEU A 42 3.874 -10.336 3.070 1.00 0.00 N ATOM 509 CA LEU A 42 3.212 -10.163 1.783 1.00 0.00 C ATOM 510 C LEU A 42 3.360 -8.731 1.279 1.00 0.00 C ATOM 511 O LEU A 42 3.539 -8.498 0.083 1.00 0.00 O ATOM 512 CB LEU A 42 1.730 -10.524 1.899 1.00 0.00 C ATOM 513 CG LEU A 42 1.448 -11.921 2.454 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.025 -12.008 2.980 1.00 0.00 C ATOM 515 CD2 LEU A 42 1.688 -12.976 1.386 1.00 0.00 C ATOM 0 H LEU A 42 3.405 -9.876 3.850 1.00 0.00 H new ATOM 0 HA LEU A 42 3.689 -10.830 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.241 -9.789 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.273 -10.442 0.913 1.00 0.00 H new ATOM 0 HG LEU A 42 2.132 -12.108 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.158 -13.009 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.114 -11.277 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.675 -11.801 2.171 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.483 -13.964 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.028 -12.792 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.726 -12.929 1.055 1.00 0.00 H new ATOM 527 N GLY A 43 3.285 -7.777 2.198 1.00 0.00 N ATOM 528 CA GLY A 43 3.412 -6.380 1.828 1.00 0.00 C ATOM 529 C GLY A 43 2.444 -5.490 2.583 1.00 0.00 C ATOM 530 O GLY A 43 1.637 -5.976 3.379 1.00 0.00 O ATOM 0 H GLY A 43 3.138 -7.945 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.432 -6.048 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.239 -6.274 0.757 1.00 0.00 H new ATOM 534 N ILE A 44 2.524 -4.186 2.332 1.00 0.00 N ATOM 535 CA ILE A 44 1.647 -3.222 2.991 1.00 0.00 C ATOM 536 C ILE A 44 0.564 -2.728 2.040 1.00 0.00 C ATOM 537 O ILE A 44 0.793 -2.584 0.839 1.00 0.00 O ATOM 538 CB ILE A 44 2.422 -1.998 3.543 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.931 -2.153 3.338 1.00 0.00 C ATOM 540 CG2 ILE A 44 2.113 -1.792 5.018 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.544 -3.279 4.144 1.00 0.00 C ATOM 0 H ILE A 44 3.187 -3.772 1.677 1.00 0.00 H new ATOM 0 HA ILE A 44 1.193 -3.751 3.829 1.00 0.00 H new ATOM 0 HB ILE A 44 2.094 -1.121 2.986 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.129 -2.326 2.280 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.423 -1.218 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.666 -0.929 5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.044 -1.620 5.145 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.407 -2.679 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.615 -3.327 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.379 -3.098 5.206 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.080 -4.224 3.860 1.00 0.00 H new ATOM 553 N PHE A 45 -0.618 -2.469 2.589 1.00 0.00 N ATOM 554 CA PHE A 45 -1.749 -1.985 1.800 1.00 0.00 C ATOM 555 C PHE A 45 -2.367 -0.761 2.460 1.00 0.00 C ATOM 556 O PHE A 45 -2.441 -0.677 3.686 1.00 0.00 O ATOM 557 CB PHE A 45 -2.810 -3.081 1.641 1.00 0.00 C ATOM 558 CG PHE A 45 -2.282 -4.475 1.831 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.188 -4.923 1.107 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.881 -5.339 2.734 1.00 0.00 C ATOM 561 CE1 PHE A 45 -0.700 -6.203 1.282 1.00 0.00 C ATOM 562 CE2 PHE A 45 -2.399 -6.621 2.912 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.306 -7.053 2.184 1.00 0.00 C ATOM 0 H PHE A 45 -0.820 -2.586 3.582 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.381 -1.711 0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.610 -2.905 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.252 -3.003 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.711 -4.263 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.735 -5.006 3.305 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.155 -6.538 0.713 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.875 -7.285 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.927 -8.055 2.321 1.00 0.00 H new ATOM 573 N VAL A 46 -2.816 0.189 1.645 1.00 0.00 N ATOM 574 CA VAL A 46 -3.429 1.407 2.166 1.00 0.00 C ATOM 575 C VAL A 46 -4.542 1.073 3.155 1.00 0.00 C ATOM 576 O VAL A 46 -5.631 0.650 2.764 1.00 0.00 O ATOM 577 CB VAL A 46 -4.000 2.285 1.038 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.408 3.647 1.575 1.00 0.00 C ATOM 579 CG2 VAL A 46 -2.989 2.430 -0.089 1.00 0.00 C ATOM 0 H VAL A 46 -2.768 0.140 0.627 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.643 1.965 2.676 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.889 1.797 0.638 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.809 4.253 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.170 3.521 2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.538 4.145 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.410 3.054 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.080 2.894 0.295 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.751 1.446 -0.493 1.00 0.00 H new ATOM 589 N LYS A 47 -4.255 1.256 4.439 1.00 0.00 N ATOM 590 CA LYS A 47 -5.218 0.969 5.495 1.00 0.00 C ATOM 591 C LYS A 47 -6.218 2.109 5.648 1.00 0.00 C ATOM 592 O LYS A 47 -7.407 1.878 5.871 1.00 0.00 O ATOM 593 CB LYS A 47 -4.488 0.726 6.820 1.00 0.00 C ATOM 594 CG LYS A 47 -5.402 0.700 8.036 1.00 0.00 C ATOM 595 CD LYS A 47 -6.529 -0.307 7.867 1.00 0.00 C ATOM 596 CE LYS A 47 -5.995 -1.714 7.649 1.00 0.00 C ATOM 597 NZ LYS A 47 -6.589 -2.689 8.605 1.00 0.00 N ATOM 0 H LYS A 47 -3.357 1.604 4.775 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.768 0.069 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.954 -0.222 6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.739 1.506 6.958 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.821 0.451 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.822 1.693 8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.166 -0.292 8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.152 -0.018 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.210 -2.030 6.628 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.911 -1.712 7.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.920 -2.866 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.473 -2.301 8.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.790 -3.582 8.111 1.00 0.00 H new ATOM 611 N SER A 48 -5.732 3.339 5.534 1.00 0.00 N ATOM 612 CA SER A 48 -6.593 4.507 5.671 1.00 0.00 C ATOM 613 C SER A 48 -5.971 5.731 5.012 1.00 0.00 C ATOM 614 O SER A 48 -4.756 5.796 4.817 1.00 0.00 O ATOM 615 CB SER A 48 -6.863 4.794 7.148 1.00 0.00 C ATOM 616 OG SER A 48 -5.662 4.780 7.898 1.00 0.00 O ATOM 0 H SER A 48 -4.752 3.553 5.348 1.00 0.00 H new ATOM 0 HA SER A 48 -7.535 4.289 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.348 5.765 7.250 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.553 4.050 7.546 1.00 0.00 H new ATOM 0 HG SER A 48 -5.862 4.968 8.839 1.00 0.00 H new ATOM 622 N ILE A 49 -6.811 6.704 4.678 1.00 0.00 N ATOM 623 CA ILE A 49 -6.348 7.932 4.047 1.00 0.00 C ATOM 624 C ILE A 49 -6.877 9.153 4.785 1.00 0.00 C ATOM 625 O ILE A 49 -7.947 9.112 5.394 1.00 0.00 O ATOM 626 CB ILE A 49 -6.777 8.016 2.568 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.677 6.640 1.906 1.00 0.00 C ATOM 628 CG2 ILE A 49 -5.930 9.034 1.820 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.069 6.642 0.446 1.00 0.00 C ATOM 0 H ILE A 49 -7.818 6.665 4.835 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.259 7.916 4.094 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.816 8.344 2.528 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.654 6.275 1.999 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.316 5.940 2.444 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.249 9.078 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.052 10.015 2.278 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.882 8.739 1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.974 5.634 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.102 6.977 0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.414 7.317 -0.106 1.00 0.00 H new ATOM 641 N ILE A 50 -6.120 10.236 4.724 1.00 0.00 N ATOM 642 CA ILE A 50 -6.502 11.478 5.380 1.00 0.00 C ATOM 643 C ILE A 50 -6.941 12.508 4.346 1.00 0.00 C ATOM 644 O ILE A 50 -6.122 13.025 3.587 1.00 0.00 O ATOM 645 CB ILE A 50 -5.340 12.063 6.217 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.962 11.127 7.372 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.719 13.435 6.761 1.00 0.00 C ATOM 648 CD1 ILE A 50 -4.209 9.885 6.954 1.00 0.00 C ATOM 0 H ILE A 50 -5.232 10.281 4.224 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.330 11.249 6.051 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.474 12.164 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.354 11.681 8.087 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.872 10.827 7.892 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.892 13.835 7.348 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.934 14.109 5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.602 13.344 7.393 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.983 9.283 7.834 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.820 9.304 6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.279 10.171 6.462 1.00 0.00 H new ATOM 660 N ASN A 51 -8.235 12.803 4.321 1.00 0.00 N ATOM 661 CA ASN A 51 -8.782 13.773 3.377 1.00 0.00 C ATOM 662 C ASN A 51 -8.353 15.187 3.749 1.00 0.00 C ATOM 663 O ASN A 51 -9.179 16.023 4.117 1.00 0.00 O ATOM 664 CB ASN A 51 -10.310 13.687 3.333 1.00 0.00 C ATOM 665 CG ASN A 51 -10.825 12.271 3.518 1.00 0.00 C ATOM 666 OD1 ASN A 51 -11.060 11.889 4.769 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.011 11.533 2.551 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.926 12.385 4.943 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.390 13.535 2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.728 14.325 4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.664 14.076 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.817 11.869 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.360 10.585 2.693 1.00 0.00 H new ATOM 674 N GLY A 52 -7.056 15.446 3.656 1.00 0.00 N ATOM 675 CA GLY A 52 -6.536 16.758 3.988 1.00 0.00 C ATOM 676 C GLY A 52 -5.171 17.029 3.378 1.00 0.00 C ATOM 677 O GLY A 52 -4.822 18.181 3.123 1.00 0.00 O ATOM 0 H GLY A 52 -6.353 14.770 3.356 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.238 17.518 3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.468 16.852 5.072 1.00 0.00 H new ATOM 681 N GLY A 53 -4.394 15.972 3.150 1.00 0.00 N ATOM 682 CA GLY A 53 -3.074 16.139 2.576 1.00 0.00 C ATOM 683 C GLY A 53 -2.951 15.529 1.195 1.00 0.00 C ATOM 684 O GLY A 53 -3.948 15.175 0.568 1.00 0.00 O ATOM 0 H GLY A 53 -4.656 15.007 3.353 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.839 17.202 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.336 15.683 3.236 1.00 0.00 H new ATOM 688 N ALA A 54 -1.715 15.422 0.720 1.00 0.00 N ATOM 689 CA ALA A 54 -1.424 14.868 -0.600 1.00 0.00 C ATOM 690 C ALA A 54 -2.279 13.647 -0.933 1.00 0.00 C ATOM 691 O ALA A 54 -2.903 13.591 -1.989 1.00 0.00 O ATOM 692 CB ALA A 54 0.048 14.508 -0.686 1.00 0.00 C ATOM 0 H ALA A 54 -0.887 15.716 1.237 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.670 15.635 -1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.265 14.095 -1.671 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.651 15.402 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.287 13.768 0.078 1.00 0.00 H new ATOM 698 N ALA A 55 -2.289 12.667 -0.040 1.00 0.00 N ATOM 699 CA ALA A 55 -3.057 11.444 -0.260 1.00 0.00 C ATOM 700 C ALA A 55 -4.506 11.749 -0.621 1.00 0.00 C ATOM 701 O ALA A 55 -5.147 10.992 -1.348 1.00 0.00 O ATOM 702 CB ALA A 55 -2.993 10.551 0.967 1.00 0.00 C ATOM 0 H ALA A 55 -1.777 12.692 0.842 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.609 10.919 -1.104 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.570 9.644 0.787 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.955 10.287 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.408 11.081 1.825 1.00 0.00 H new ATOM 708 N SER A 56 -5.017 12.863 -0.115 1.00 0.00 N ATOM 709 CA SER A 56 -6.390 13.263 -0.396 1.00 0.00 C ATOM 710 C SER A 56 -6.483 13.931 -1.759 1.00 0.00 C ATOM 711 O SER A 56 -7.226 13.491 -2.636 1.00 0.00 O ATOM 712 CB SER A 56 -6.893 14.225 0.678 1.00 0.00 C ATOM 713 OG SER A 56 -6.377 15.531 0.483 1.00 0.00 O ATOM 0 H SER A 56 -4.504 13.504 0.490 1.00 0.00 H new ATOM 0 HA SER A 56 -7.011 12.367 -0.396 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.982 14.256 0.660 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.601 13.859 1.662 1.00 0.00 H new ATOM 0 HG SER A 56 -5.443 15.562 0.780 1.00 0.00 H new ATOM 719 N LYS A 57 -5.722 15.005 -1.917 1.00 0.00 N ATOM 720 CA LYS A 57 -5.705 15.759 -3.167 1.00 0.00 C ATOM 721 C LYS A 57 -5.245 14.895 -4.339 1.00 0.00 C ATOM 722 O LYS A 57 -5.573 15.176 -5.491 1.00 0.00 O ATOM 723 CB LYS A 57 -4.811 17.000 -3.049 1.00 0.00 C ATOM 724 CG LYS A 57 -3.537 16.781 -2.247 1.00 0.00 C ATOM 725 CD LYS A 57 -3.356 17.861 -1.191 1.00 0.00 C ATOM 726 CE LYS A 57 -1.924 18.375 -1.151 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.269 18.099 0.159 1.00 0.00 N ATOM 0 H LYS A 57 -5.106 15.376 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.728 16.080 -3.361 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.542 17.336 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.384 17.803 -2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.570 15.803 -1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.678 16.778 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.034 18.689 -1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.627 17.463 -0.213 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.348 17.908 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.919 19.448 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.748 18.943 0.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.993 17.859 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.608 17.302 0.056 1.00 0.00 H new ATOM 741 N ASP A 58 -4.483 13.847 -4.042 1.00 0.00 N ATOM 742 CA ASP A 58 -3.983 12.951 -5.080 1.00 0.00 C ATOM 743 C ASP A 58 -5.134 12.347 -5.880 1.00 0.00 C ATOM 744 O ASP A 58 -5.136 12.381 -7.110 1.00 0.00 O ATOM 745 CB ASP A 58 -3.128 11.841 -4.466 1.00 0.00 C ATOM 746 CG ASP A 58 -1.659 11.985 -4.817 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.259 13.083 -5.259 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.911 10.998 -4.655 1.00 0.00 O ATOM 0 H ASP A 58 -4.199 13.598 -3.095 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.363 13.536 -5.759 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.243 11.854 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.489 10.873 -4.813 1.00 0.00 H new ATOM 753 N GLY A 59 -6.116 11.800 -5.170 1.00 0.00 N ATOM 754 CA GLY A 59 -7.264 11.201 -5.825 1.00 0.00 C ATOM 755 C GLY A 59 -6.904 9.976 -6.647 1.00 0.00 C ATOM 756 O GLY A 59 -7.644 9.592 -7.552 1.00 0.00 O ATOM 0 H GLY A 59 -6.137 11.761 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.001 10.923 -5.072 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.734 11.941 -6.473 1.00 0.00 H new ATOM 760 N ARG A 60 -5.767 9.361 -6.333 1.00 0.00 N ATOM 761 CA ARG A 60 -5.322 8.170 -7.054 1.00 0.00 C ATOM 762 C ARG A 60 -4.991 7.027 -6.096 1.00 0.00 C ATOM 763 O ARG A 60 -4.547 5.962 -6.523 1.00 0.00 O ATOM 764 CB ARG A 60 -4.104 8.498 -7.918 1.00 0.00 C ATOM 765 CG ARG A 60 -2.879 8.896 -7.115 1.00 0.00 C ATOM 766 CD ARG A 60 -1.914 9.722 -7.948 1.00 0.00 C ATOM 767 NE ARG A 60 -2.030 11.148 -7.658 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.290 12.086 -8.247 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.396 11.753 -9.170 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.447 13.360 -7.915 1.00 0.00 N ATOM 0 H ARG A 60 -5.139 9.665 -5.589 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.141 7.845 -7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.860 7.631 -8.531 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.360 9.309 -8.600 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.186 9.467 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.374 8.001 -6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.893 9.394 -7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.108 9.550 -9.007 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.717 11.443 -6.964 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.273 10.775 -9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.168 12.475 -9.618 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.134 13.622 -7.208 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.880 14.078 -8.366 1.00 0.00 H new ATOM 784 N LEU A 61 -5.217 7.246 -4.803 1.00 0.00 N ATOM 785 CA LEU A 61 -4.946 6.218 -3.800 1.00 0.00 C ATOM 786 C LEU A 61 -6.233 5.496 -3.415 1.00 0.00 C ATOM 787 O LEU A 61 -7.324 6.056 -3.509 1.00 0.00 O ATOM 788 CB LEU A 61 -4.281 6.815 -2.549 1.00 0.00 C ATOM 789 CG LEU A 61 -4.704 8.238 -2.169 1.00 0.00 C ATOM 790 CD1 LEU A 61 -4.098 9.254 -3.125 1.00 0.00 C ATOM 791 CD2 LEU A 61 -6.222 8.358 -2.131 1.00 0.00 C ATOM 0 H LEU A 61 -5.585 8.120 -4.426 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.254 5.501 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.490 6.159 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.201 6.807 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.326 8.451 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.412 10.257 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.011 9.188 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.437 9.046 -4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.500 9.376 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.630 8.120 -3.113 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.624 7.663 -1.393 1.00 0.00 H new ATOM 803 N ARG A 62 -6.098 4.244 -2.988 1.00 0.00 N ATOM 804 CA ARG A 62 -7.251 3.443 -2.596 1.00 0.00 C ATOM 805 C ARG A 62 -6.931 2.589 -1.375 1.00 0.00 C ATOM 806 O ARG A 62 -5.873 1.963 -1.302 1.00 0.00 O ATOM 807 CB ARG A 62 -7.696 2.550 -3.755 1.00 0.00 C ATOM 808 CG ARG A 62 -8.722 3.201 -4.667 1.00 0.00 C ATOM 809 CD ARG A 62 -8.058 3.904 -5.842 1.00 0.00 C ATOM 810 NE ARG A 62 -7.267 2.983 -6.655 1.00 0.00 N ATOM 811 CZ ARG A 62 -6.448 3.372 -7.630 1.00 0.00 C ATOM 812 NH1 ARG A 62 -6.310 4.661 -7.917 1.00 0.00 N ATOM 813 NH2 ARG A 62 -5.765 2.470 -8.321 1.00 0.00 N ATOM 0 H ARG A 62 -5.202 3.763 -2.905 1.00 0.00 H new ATOM 0 HA ARG A 62 -8.063 4.123 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.822 2.273 -4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.114 1.628 -3.352 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.413 2.444 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.312 3.920 -4.098 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.822 4.372 -6.463 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.416 4.703 -5.471 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.347 1.984 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.833 5.360 -7.389 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.681 4.952 -8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.867 1.478 -8.106 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.138 2.768 -9.068 1.00 0.00 H new ATOM 827 N VAL A 63 -7.852 2.568 -0.415 1.00 0.00 N ATOM 828 CA VAL A 63 -7.672 1.793 0.808 1.00 0.00 C ATOM 829 C VAL A 63 -7.673 0.295 0.516 1.00 0.00 C ATOM 830 O VAL A 63 -8.641 -0.406 0.815 1.00 0.00 O ATOM 831 CB VAL A 63 -8.775 2.108 1.838 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.387 1.583 3.211 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.050 3.604 1.892 1.00 0.00 C ATOM 0 H VAL A 63 -8.733 3.081 -0.461 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.705 2.076 1.224 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.690 1.606 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.177 1.814 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.247 0.503 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.458 2.055 3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.831 3.804 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.140 4.131 2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.376 3.950 0.911 1.00 0.00 H new ATOM 843 N ASN A 64 -6.580 -0.190 -0.070 1.00 0.00 N ATOM 844 CA ASN A 64 -6.441 -1.609 -0.407 1.00 0.00 C ATOM 845 C ASN A 64 -5.250 -1.847 -1.336 1.00 0.00 C ATOM 846 O ASN A 64 -4.739 -2.963 -1.427 1.00 0.00 O ATOM 847 CB ASN A 64 -7.717 -2.138 -1.070 1.00 0.00 C ATOM 848 CG ASN A 64 -8.288 -1.168 -2.085 1.00 0.00 C ATOM 849 OD1 ASN A 64 -7.811 -1.082 -3.216 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.316 -0.431 -1.683 1.00 0.00 N ATOM 0 H ASN A 64 -5.773 0.380 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.270 -2.147 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.501 -3.087 -1.561 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.465 -2.339 -0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.743 0.240 -2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.679 -0.536 -0.736 1.00 0.00 H new ATOM 857 N ASP A 65 -4.815 -0.796 -2.030 1.00 0.00 N ATOM 858 CA ASP A 65 -3.690 -0.898 -2.955 1.00 0.00 C ATOM 859 C ASP A 65 -2.459 -1.474 -2.268 1.00 0.00 C ATOM 860 O ASP A 65 -2.145 -1.120 -1.131 1.00 0.00 O ATOM 861 CB ASP A 65 -3.366 0.478 -3.543 1.00 0.00 C ATOM 862 CG ASP A 65 -4.191 0.786 -4.778 1.00 0.00 C ATOM 863 OD1 ASP A 65 -5.242 0.138 -4.969 1.00 0.00 O ATOM 864 OD2 ASP A 65 -3.785 1.677 -5.555 1.00 0.00 O ATOM 0 H ASP A 65 -5.226 0.136 -1.968 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.976 -1.576 -3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.545 1.244 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.307 0.522 -3.796 1.00 0.00 H new ATOM 869 N GLN A 66 -1.765 -2.365 -2.971 1.00 0.00 N ATOM 870 CA GLN A 66 -0.564 -3.001 -2.440 1.00 0.00 C ATOM 871 C GLN A 66 0.680 -2.184 -2.779 1.00 0.00 C ATOM 872 O GLN A 66 0.998 -1.979 -3.950 1.00 0.00 O ATOM 873 CB GLN A 66 -0.429 -4.418 -3.005 1.00 0.00 C ATOM 874 CG GLN A 66 0.879 -5.106 -2.642 1.00 0.00 C ATOM 875 CD GLN A 66 0.682 -6.287 -1.714 1.00 0.00 C ATOM 876 OE1 GLN A 66 -0.409 -6.853 -1.633 1.00 0.00 O ATOM 877 NE2 GLN A 66 1.739 -6.665 -1.006 1.00 0.00 N ATOM 0 H GLN A 66 -2.016 -2.663 -3.914 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.655 -3.053 -1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.259 -5.024 -2.642 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.516 -4.375 -4.091 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.372 -5.444 -3.554 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.545 -4.384 -2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.624 -6.167 -1.105 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.667 -7.454 -0.363 1.00 0.00 H new ATOM 886 N LEU A 67 1.383 -1.727 -1.747 1.00 0.00 N ATOM 887 CA LEU A 67 2.596 -0.940 -1.942 1.00 0.00 C ATOM 888 C LEU A 67 3.704 -1.805 -2.531 1.00 0.00 C ATOM 889 O LEU A 67 4.056 -2.844 -1.972 1.00 0.00 O ATOM 890 CB LEU A 67 3.055 -0.332 -0.616 1.00 0.00 C ATOM 891 CG LEU A 67 2.141 0.756 -0.054 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.565 1.136 1.358 1.00 0.00 C ATOM 893 CD2 LEU A 67 2.148 1.977 -0.962 1.00 0.00 C ATOM 0 H LEU A 67 1.135 -1.887 -0.771 1.00 0.00 H new ATOM 0 HA LEU A 67 2.373 -0.133 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.141 -1.130 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.052 0.086 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 67 1.125 0.364 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.902 1.912 1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.508 0.259 2.003 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.589 1.509 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.492 2.742 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.162 2.369 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.795 1.695 -1.954 1.00 0.00 H new ATOM 905 N ILE A 68 4.244 -1.379 -3.666 1.00 0.00 N ATOM 906 CA ILE A 68 5.304 -2.128 -4.334 1.00 0.00 C ATOM 907 C ILE A 68 6.599 -1.328 -4.414 1.00 0.00 C ATOM 908 O ILE A 68 7.685 -1.900 -4.483 1.00 0.00 O ATOM 909 CB ILE A 68 4.888 -2.542 -5.758 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.451 -3.065 -5.765 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.845 -3.591 -6.306 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.266 -4.343 -4.977 1.00 0.00 C ATOM 0 H ILE A 68 3.967 -0.521 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 68 5.474 -3.020 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 68 4.935 -1.664 -6.403 1.00 0.00 H new ATOM 0 HG12 ILE A 68 2.793 -2.298 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.141 -3.236 -6.796 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.538 -3.873 -7.313 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.855 -3.182 -6.336 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.829 -4.470 -5.662 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.222 -4.654 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.898 -5.125 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.544 -4.173 -3.937 1.00 0.00 H new ATOM 924 N ALA A 69 6.485 -0.003 -4.412 1.00 0.00 N ATOM 925 CA ALA A 69 7.660 0.857 -4.490 1.00 0.00 C ATOM 926 C ALA A 69 7.343 2.282 -4.051 1.00 0.00 C ATOM 927 O ALA A 69 6.181 2.677 -3.970 1.00 0.00 O ATOM 928 CB ALA A 69 8.221 0.853 -5.904 1.00 0.00 C ATOM 0 H ALA A 69 5.597 0.495 -4.358 1.00 0.00 H new ATOM 0 HA ALA A 69 8.410 0.459 -3.806 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.098 1.499 -5.949 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.504 -0.163 -6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.464 1.220 -6.597 1.00 0.00 H new ATOM 934 N VAL A 70 8.392 3.048 -3.770 1.00 0.00 N ATOM 935 CA VAL A 70 8.243 4.432 -3.339 1.00 0.00 C ATOM 936 C VAL A 70 9.507 5.234 -3.645 1.00 0.00 C ATOM 937 O VAL A 70 10.523 5.095 -2.963 1.00 0.00 O ATOM 938 CB VAL A 70 7.930 4.522 -1.832 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.047 3.891 -1.013 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.698 5.968 -1.412 1.00 0.00 C ATOM 0 H VAL A 70 9.359 2.731 -3.834 1.00 0.00 H new ATOM 0 HA VAL A 70 7.405 4.855 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 70 7.013 3.965 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.807 3.965 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.152 2.842 -1.289 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.983 4.414 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.479 6.006 -0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.592 6.555 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.856 6.378 -1.970 1.00 0.00 H new ATOM 950 N ASN A 71 9.440 6.066 -4.679 1.00 0.00 N ATOM 951 CA ASN A 71 10.580 6.883 -5.082 1.00 0.00 C ATOM 952 C ASN A 71 11.757 6.003 -5.485 1.00 0.00 C ATOM 953 O ASN A 71 12.915 6.361 -5.271 1.00 0.00 O ATOM 954 CB ASN A 71 10.999 7.816 -3.943 1.00 0.00 C ATOM 955 CG ASN A 71 9.863 8.697 -3.467 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.410 9.589 -4.185 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.395 8.450 -2.251 1.00 0.00 N ATOM 0 H ASN A 71 8.607 6.193 -5.254 1.00 0.00 H new ATOM 0 HA ASN A 71 10.279 7.483 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.368 7.221 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.826 8.443 -4.277 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.629 9.010 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.801 7.700 -1.691 1.00 0.00 H new ATOM 964 N GLY A 72 11.452 4.849 -6.068 1.00 0.00 N ATOM 965 CA GLY A 72 12.495 3.933 -6.489 1.00 0.00 C ATOM 966 C GLY A 72 12.768 2.854 -5.460 1.00 0.00 C ATOM 967 O GLY A 72 13.308 1.798 -5.788 1.00 0.00 O ATOM 0 H GLY A 72 10.501 4.532 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.207 3.467 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.412 4.492 -6.677 1.00 0.00 H new ATOM 971 N GLU A 73 12.392 3.118 -4.211 1.00 0.00 N ATOM 972 CA GLU A 73 12.601 2.159 -3.132 1.00 0.00 C ATOM 973 C GLU A 73 11.550 1.056 -3.179 1.00 0.00 C ATOM 974 O GLU A 73 10.442 1.216 -2.669 1.00 0.00 O ATOM 975 CB GLU A 73 12.556 2.866 -1.777 1.00 0.00 C ATOM 976 CG GLU A 73 13.912 3.364 -1.304 1.00 0.00 C ATOM 977 CD GLU A 73 13.840 4.739 -0.672 1.00 0.00 C ATOM 978 OE1 GLU A 73 13.893 5.740 -1.418 1.00 0.00 O ATOM 979 OE2 GLU A 73 13.729 4.816 0.570 1.00 0.00 O ATOM 0 H GLU A 73 11.942 3.987 -3.922 1.00 0.00 H new ATOM 0 HA GLU A 73 13.584 1.707 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.870 3.711 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.150 2.181 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.323 2.658 -0.583 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.600 3.392 -2.149 1.00 0.00 H new ATOM 986 N SER A 74 11.907 -0.065 -3.795 1.00 0.00 N ATOM 987 CA SER A 74 10.998 -1.200 -3.912 1.00 0.00 C ATOM 988 C SER A 74 10.528 -1.667 -2.538 1.00 0.00 C ATOM 989 O SER A 74 11.287 -1.637 -1.568 1.00 0.00 O ATOM 990 CB SER A 74 11.681 -2.354 -4.649 1.00 0.00 C ATOM 991 OG SER A 74 10.735 -3.143 -5.350 1.00 0.00 O ATOM 0 H SER A 74 12.821 -0.213 -4.222 1.00 0.00 H new ATOM 0 HA SER A 74 10.127 -0.877 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.418 -1.958 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.221 -2.976 -3.935 1.00 0.00 H new ATOM 0 HG SER A 74 11.197 -3.872 -5.814 1.00 0.00 H new ATOM 997 N LEU A 75 9.273 -2.097 -2.463 1.00 0.00 N ATOM 998 CA LEU A 75 8.700 -2.569 -1.209 1.00 0.00 C ATOM 999 C LEU A 75 8.403 -4.066 -1.263 1.00 0.00 C ATOM 1000 O LEU A 75 8.275 -4.717 -0.225 1.00 0.00 O ATOM 1001 CB LEU A 75 7.419 -1.796 -0.885 1.00 0.00 C ATOM 1002 CG LEU A 75 7.622 -0.428 -0.224 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.296 0.116 0.282 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.629 -0.521 0.913 1.00 0.00 C ATOM 0 H LEU A 75 8.633 -2.128 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 75 9.434 -2.395 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.858 -1.654 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.802 -2.409 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 75 8.018 0.259 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.456 1.088 0.749 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.604 0.224 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.875 -0.573 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.757 0.462 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.266 -1.223 1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.586 -0.868 0.524 1.00 0.00 H new ATOM 1016 N LEU A 76 8.292 -4.612 -2.473 1.00 0.00 N ATOM 1017 CA LEU A 76 8.008 -6.034 -2.647 1.00 0.00 C ATOM 1018 C LEU A 76 8.930 -6.882 -1.776 1.00 0.00 C ATOM 1019 O LEU A 76 8.476 -7.775 -1.060 1.00 0.00 O ATOM 1020 CB LEU A 76 8.157 -6.433 -4.119 1.00 0.00 C ATOM 1021 CG LEU A 76 6.980 -7.224 -4.694 1.00 0.00 C ATOM 1022 CD1 LEU A 76 6.757 -6.865 -6.154 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.220 -8.719 -4.542 1.00 0.00 C ATOM 0 H LEU A 76 8.394 -4.092 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 76 6.979 -6.215 -2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.294 -5.530 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.064 -7.027 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 76 6.082 -6.960 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.916 -7.438 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.541 -5.800 -6.238 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.654 -7.100 -6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.374 -9.267 -4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.129 -8.998 -5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.330 -8.964 -3.486 1.00 0.00 H new ATOM 1035 N GLY A 77 10.223 -6.587 -1.831 1.00 0.00 N ATOM 1036 CA GLY A 77 11.185 -7.322 -1.032 1.00 0.00 C ATOM 1037 C GLY A 77 11.140 -6.913 0.427 1.00 0.00 C ATOM 1038 O GLY A 77 11.490 -7.693 1.312 1.00 0.00 O ATOM 0 H GLY A 77 10.623 -5.852 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.985 -8.390 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 77 12.187 -7.153 -1.425 1.00 0.00 H new ATOM 1042 N LYS A 78 10.699 -5.683 0.675 1.00 0.00 N ATOM 1043 CA LYS A 78 10.598 -5.159 2.032 1.00 0.00 C ATOM 1044 C LYS A 78 9.500 -5.863 2.808 1.00 0.00 C ATOM 1045 O LYS A 78 8.382 -6.028 2.319 1.00 0.00 O ATOM 1046 CB LYS A 78 10.309 -3.658 2.005 1.00 0.00 C ATOM 1047 CG LYS A 78 11.509 -2.809 1.625 1.00 0.00 C ATOM 1048 CD LYS A 78 11.758 -1.716 2.648 1.00 0.00 C ATOM 1049 CE LYS A 78 13.237 -1.401 2.781 1.00 0.00 C ATOM 1050 NZ LYS A 78 13.863 -1.095 1.465 1.00 0.00 N ATOM 0 H LYS A 78 10.405 -5.029 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 78 11.553 -5.339 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.501 -3.466 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.953 -3.348 2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.393 -3.441 1.543 1.00 0.00 H new ATOM 0 HG3 LYS A 78 11.345 -2.362 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.218 -0.815 2.357 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.363 -2.026 3.616 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.368 -0.551 3.451 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.748 -2.248 3.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.809 -0.691 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 13.945 -1.969 0.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.273 -0.410 0.951 1.00 0.00 H new ATOM 1064 N ALA A 79 9.821 -6.258 4.030 1.00 0.00 N ATOM 1065 CA ALA A 79 8.862 -6.920 4.888 1.00 0.00 C ATOM 1066 C ALA A 79 7.880 -5.899 5.434 1.00 0.00 C ATOM 1067 O ALA A 79 7.884 -4.741 5.016 1.00 0.00 O ATOM 1068 CB ALA A 79 9.576 -7.644 6.018 1.00 0.00 C ATOM 0 H ALA A 79 10.743 -6.129 4.447 1.00 0.00 H new ATOM 0 HA ALA A 79 8.311 -7.662 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.842 -8.137 6.655 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.254 -8.389 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 79 10.145 -6.926 6.608 1.00 0.00 H new ATOM 1074 N ASN A 80 7.041 -6.317 6.368 1.00 0.00 N ATOM 1075 CA ASN A 80 6.066 -5.413 6.957 1.00 0.00 C ATOM 1076 C ASN A 80 6.763 -4.233 7.634 1.00 0.00 C ATOM 1077 O ASN A 80 6.406 -3.077 7.410 1.00 0.00 O ATOM 1078 CB ASN A 80 5.189 -6.159 7.964 1.00 0.00 C ATOM 1079 CG ASN A 80 6.005 -6.915 8.993 1.00 0.00 C ATOM 1080 OD1 ASN A 80 6.329 -6.387 10.056 1.00 0.00 O ATOM 1081 ND2 ASN A 80 6.342 -8.160 8.679 1.00 0.00 N ATOM 0 H ASN A 80 7.015 -7.269 6.733 1.00 0.00 H new ATOM 0 HA ASN A 80 5.432 -5.026 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 80 4.538 -5.447 8.472 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.543 -6.858 7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.892 -8.719 9.331 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.051 -8.557 7.786 1.00 0.00 H new ATOM 1088 N GLN A 81 7.753 -4.537 8.468 1.00 0.00 N ATOM 1089 CA GLN A 81 8.493 -3.507 9.191 1.00 0.00 C ATOM 1090 C GLN A 81 9.383 -2.670 8.269 1.00 0.00 C ATOM 1091 O GLN A 81 9.455 -1.450 8.417 1.00 0.00 O ATOM 1092 CB GLN A 81 9.345 -4.143 10.293 1.00 0.00 C ATOM 1093 CG GLN A 81 10.143 -5.351 9.832 1.00 0.00 C ATOM 1094 CD GLN A 81 11.636 -5.179 10.033 1.00 0.00 C ATOM 1095 OE1 GLN A 81 12.146 -4.000 9.701 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 12.324 -6.096 10.484 1.00 0.00 N flip ATOM 0 H GLN A 81 8.062 -5.490 8.660 1.00 0.00 H new ATOM 0 HA GLN A 81 7.756 -2.836 9.633 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.032 -3.394 10.686 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.695 -4.441 11.115 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.807 -6.233 10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.941 -5.533 8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.891 -6.987 10.726 1.00 0.00 H new ATOM 0 HE22 GLN A 81 13.327 -5.964 10.615 1.00 0.00 H new ATOM 1105 N GLU A 82 10.071 -3.320 7.334 1.00 0.00 N ATOM 1106 CA GLU A 82 10.961 -2.610 6.421 1.00 0.00 C ATOM 1107 C GLU A 82 10.187 -1.672 5.505 1.00 0.00 C ATOM 1108 O GLU A 82 10.603 -0.537 5.277 1.00 0.00 O ATOM 1109 CB GLU A 82 11.769 -3.602 5.581 1.00 0.00 C ATOM 1110 CG GLU A 82 12.270 -4.804 6.365 1.00 0.00 C ATOM 1111 CD GLU A 82 13.781 -4.932 6.340 1.00 0.00 C ATOM 1112 OE1 GLU A 82 14.462 -3.895 6.194 1.00 0.00 O ATOM 1113 OE2 GLU A 82 14.284 -6.069 6.466 1.00 0.00 O ATOM 0 H GLU A 82 10.030 -4.329 7.189 1.00 0.00 H new ATOM 0 HA GLU A 82 11.642 -2.012 7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.151 -3.951 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.622 -3.083 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.934 -4.724 7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.826 -5.711 5.954 1.00 0.00 H new ATOM 1120 N ALA A 83 9.067 -2.146 4.978 1.00 0.00 N ATOM 1121 CA ALA A 83 8.255 -1.333 4.088 1.00 0.00 C ATOM 1122 C ALA A 83 7.610 -0.200 4.861 1.00 0.00 C ATOM 1123 O ALA A 83 7.428 0.901 4.341 1.00 0.00 O ATOM 1124 CB ALA A 83 7.204 -2.184 3.400 1.00 0.00 C ATOM 0 H ALA A 83 8.703 -3.083 5.150 1.00 0.00 H new ATOM 0 HA ALA A 83 8.898 -0.905 3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.606 -1.558 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.693 -2.965 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.558 -2.641 4.150 1.00 0.00 H new ATOM 1130 N MET A 84 7.282 -0.476 6.115 1.00 0.00 N ATOM 1131 CA MET A 84 6.673 0.524 6.975 1.00 0.00 C ATOM 1132 C MET A 84 7.677 1.620 7.303 1.00 0.00 C ATOM 1133 O MET A 84 7.311 2.776 7.515 1.00 0.00 O ATOM 1134 CB MET A 84 6.152 -0.113 8.259 1.00 0.00 C ATOM 1135 CG MET A 84 4.643 -0.235 8.278 1.00 0.00 C ATOM 1136 SD MET A 84 4.053 -1.396 9.516 1.00 0.00 S ATOM 1137 CE MET A 84 3.948 -2.875 8.521 1.00 0.00 C ATOM 0 H MET A 84 7.428 -1.383 6.558 1.00 0.00 H new ATOM 0 HA MET A 84 5.830 0.965 6.443 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.594 -1.103 8.375 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.475 0.482 9.113 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.206 0.745 8.469 1.00 0.00 H new ATOM 0 HG3 MET A 84 4.296 -0.552 7.295 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.952 -3.307 8.615 1.00 0.00 H new ATOM 0 HE2 MET A 84 4.138 -2.625 7.477 1.00 0.00 H new ATOM 0 HE3 MET A 84 4.690 -3.597 8.862 1.00 0.00 H new ATOM 1147 N GLU A 85 8.953 1.243 7.331 1.00 0.00 N ATOM 1148 CA GLU A 85 10.023 2.186 7.621 1.00 0.00 C ATOM 1149 C GLU A 85 10.412 2.940 6.357 1.00 0.00 C ATOM 1150 O GLU A 85 10.667 4.142 6.395 1.00 0.00 O ATOM 1151 CB GLU A 85 11.232 1.450 8.225 1.00 0.00 C ATOM 1152 CG GLU A 85 12.400 1.256 7.267 1.00 0.00 C ATOM 1153 CD GLU A 85 13.570 0.538 7.911 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.360 -0.126 8.948 1.00 0.00 O ATOM 1155 OE2 GLU A 85 14.696 0.642 7.381 1.00 0.00 O ATOM 0 H GLU A 85 9.269 0.289 7.156 1.00 0.00 H new ATOM 0 HA GLU A 85 9.671 2.912 8.354 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.581 2.006 9.095 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.905 0.473 8.581 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.063 0.688 6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.731 2.228 6.902 1.00 0.00 H new ATOM 1162 N THR A 86 10.435 2.232 5.235 1.00 0.00 N ATOM 1163 CA THR A 86 10.765 2.850 3.960 1.00 0.00 C ATOM 1164 C THR A 86 9.735 3.928 3.647 1.00 0.00 C ATOM 1165 O THR A 86 10.064 4.993 3.128 1.00 0.00 O ATOM 1166 CB THR A 86 10.806 1.798 2.845 1.00 0.00 C ATOM 1167 OG1 THR A 86 12.080 1.184 2.788 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.506 2.355 1.468 1.00 0.00 C ATOM 0 H THR A 86 10.230 1.234 5.183 1.00 0.00 H new ATOM 0 HA THR A 86 11.754 3.305 4.023 1.00 0.00 H new ATOM 0 HB THR A 86 10.025 1.082 3.101 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.477 1.336 1.905 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.554 1.552 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.508 2.794 1.462 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.240 3.121 1.217 1.00 0.00 H new ATOM 1176 N LEU A 87 8.486 3.642 4.002 1.00 0.00 N ATOM 1177 CA LEU A 87 7.402 4.587 3.796 1.00 0.00 C ATOM 1178 C LEU A 87 7.589 5.759 4.741 1.00 0.00 C ATOM 1179 O LEU A 87 7.673 6.910 4.316 1.00 0.00 O ATOM 1180 CB LEU A 87 6.048 3.916 4.040 1.00 0.00 C ATOM 1181 CG LEU A 87 5.626 2.905 2.973 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.746 1.824 3.579 1.00 0.00 C ATOM 1183 CD2 LEU A 87 4.903 3.608 1.833 1.00 0.00 C ATOM 0 H LEU A 87 8.203 2.762 4.434 1.00 0.00 H new ATOM 0 HA LEU A 87 7.419 4.940 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.078 3.411 5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.283 4.690 4.109 1.00 0.00 H new ATOM 0 HG LEU A 87 6.522 2.431 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.456 1.114 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.297 1.302 4.361 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.853 2.279 4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.609 2.875 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.015 4.108 2.219 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.567 4.345 1.381 1.00 0.00 H new ATOM 1195 N ARG A 88 7.694 5.450 6.031 1.00 0.00 N ATOM 1196 CA ARG A 88 7.914 6.472 7.040 1.00 0.00 C ATOM 1197 C ARG A 88 9.169 7.266 6.688 1.00 0.00 C ATOM 1198 O ARG A 88 9.279 8.456 6.987 1.00 0.00 O ATOM 1199 CB ARG A 88 8.027 5.841 8.439 1.00 0.00 C ATOM 1200 CG ARG A 88 9.453 5.590 8.915 1.00 0.00 C ATOM 1201 CD ARG A 88 9.477 5.053 10.338 1.00 0.00 C ATOM 1202 NE ARG A 88 10.838 4.798 10.803 1.00 0.00 N ATOM 1203 CZ ARG A 88 11.694 5.756 11.154 1.00 0.00 C ATOM 1204 NH1 ARG A 88 11.333 7.032 11.091 1.00 0.00 N ATOM 1205 NH2 ARG A 88 12.912 5.438 11.570 1.00 0.00 N ATOM 0 H ARG A 88 7.630 4.500 6.398 1.00 0.00 H new ATOM 0 HA ARG A 88 7.062 7.151 7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.529 6.492 9.157 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.487 4.894 8.440 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.941 4.879 8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.023 6.517 8.865 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.994 5.768 11.004 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.898 4.131 10.387 1.00 0.00 H new ATOM 0 HE ARG A 88 11.151 3.829 10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.397 7.282 10.773 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.992 7.762 11.361 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.194 4.459 11.621 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.567 6.172 11.839 1.00 0.00 H new ATOM 1219 N ARG A 89 10.101 6.590 6.019 1.00 0.00 N ATOM 1220 CA ARG A 89 11.341 7.215 5.589 1.00 0.00 C ATOM 1221 C ARG A 89 11.060 8.212 4.482 1.00 0.00 C ATOM 1222 O ARG A 89 11.577 9.328 4.482 1.00 0.00 O ATOM 1223 CB ARG A 89 12.330 6.160 5.094 1.00 0.00 C ATOM 1224 CG ARG A 89 13.451 5.886 6.073 1.00 0.00 C ATOM 1225 CD ARG A 89 14.434 4.869 5.524 1.00 0.00 C ATOM 1226 NE ARG A 89 15.658 4.804 6.319 1.00 0.00 N ATOM 1227 CZ ARG A 89 15.724 4.279 7.540 1.00 0.00 C ATOM 1228 NH1 ARG A 89 14.638 3.768 8.109 1.00 0.00 N ATOM 1229 NH2 ARG A 89 16.876 4.262 8.194 1.00 0.00 N ATOM 0 H ARG A 89 10.016 5.606 5.764 1.00 0.00 H new ATOM 0 HA ARG A 89 11.780 7.734 6.441 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.793 5.232 4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.757 6.488 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.975 6.815 6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.034 5.521 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.964 3.886 5.502 1.00 0.00 H new ATOM 0 HD3 ARG A 89 14.684 5.126 4.495 1.00 0.00 H new ATOM 0 HE ARG A 89 16.513 5.184 5.914 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.749 3.777 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.694 3.367 9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.714 4.652 7.762 1.00 0.00 H new ATOM 0 HH22 ARG A 89 16.925 3.859 9.130 1.00 0.00 H new ATOM 1243 N SER A 90 10.227 7.795 3.536 1.00 0.00 N ATOM 1244 CA SER A 90 9.867 8.646 2.420 1.00 0.00 C ATOM 1245 C SER A 90 9.076 9.851 2.907 1.00 0.00 C ATOM 1246 O SER A 90 9.378 10.993 2.555 1.00 0.00 O ATOM 1247 CB SER A 90 9.055 7.860 1.389 1.00 0.00 C ATOM 1248 OG SER A 90 9.790 7.678 0.191 1.00 0.00 O ATOM 0 H SER A 90 9.791 6.873 3.524 1.00 0.00 H new ATOM 0 HA SER A 90 10.782 8.999 1.945 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.780 6.889 1.802 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.127 8.389 1.173 1.00 0.00 H new ATOM 0 HG SER A 90 10.041 6.735 0.101 1.00 0.00 H new ATOM 1254 N MET A 91 8.071 9.589 3.733 1.00 0.00 N ATOM 1255 CA MET A 91 7.240 10.648 4.288 1.00 0.00 C ATOM 1256 C MET A 91 8.043 11.505 5.264 1.00 0.00 C ATOM 1257 O MET A 91 7.644 12.619 5.599 1.00 0.00 O ATOM 1258 CB MET A 91 6.026 10.054 5.010 1.00 0.00 C ATOM 1259 CG MET A 91 5.297 8.973 4.224 1.00 0.00 C ATOM 1260 SD MET A 91 5.042 9.401 2.492 1.00 0.00 S ATOM 1261 CE MET A 91 4.626 7.798 1.815 1.00 0.00 C ATOM 0 H MET A 91 7.812 8.649 4.034 1.00 0.00 H new ATOM 0 HA MET A 91 6.896 11.274 3.464 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.353 9.636 5.962 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.325 10.857 5.238 1.00 0.00 H new ATOM 0 HG2 MET A 91 5.866 8.045 4.282 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.330 8.784 4.691 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.043 7.928 0.903 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.541 7.251 1.586 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.041 7.236 2.543 1.00 0.00 H new ATOM 1271 N SER A 92 9.170 10.969 5.728 1.00 0.00 N ATOM 1272 CA SER A 92 10.018 11.677 6.681 1.00 0.00 C ATOM 1273 C SER A 92 11.046 12.567 5.985 1.00 0.00 C ATOM 1274 O SER A 92 11.141 13.758 6.276 1.00 0.00 O ATOM 1275 CB SER A 92 10.734 10.680 7.593 1.00 0.00 C ATOM 1276 OG SER A 92 11.677 11.335 8.425 1.00 0.00 O ATOM 0 H SER A 92 9.516 10.048 5.459 1.00 0.00 H new ATOM 0 HA SER A 92 9.369 12.320 7.275 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.003 10.156 8.209 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.239 9.927 6.988 1.00 0.00 H new ATOM 0 HG SER A 92 12.120 10.676 8.999 1.00 0.00 H new ATOM 1282 N THR A 93 11.825 11.983 5.081 1.00 0.00 N ATOM 1283 CA THR A 93 12.857 12.737 4.371 1.00 0.00 C ATOM 1284 C THR A 93 13.569 11.878 3.326 1.00 0.00 C ATOM 1285 O THR A 93 14.767 11.621 3.436 1.00 0.00 O ATOM 1286 CB THR A 93 13.878 13.272 5.371 1.00 0.00 C ATOM 1287 OG1 THR A 93 14.852 14.070 4.721 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.603 12.169 6.112 1.00 0.00 C ATOM 0 H THR A 93 11.764 10.998 4.823 1.00 0.00 H new ATOM 0 HA THR A 93 12.370 13.562 3.852 1.00 0.00 H new ATOM 0 HB THR A 93 13.308 13.864 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.352 13.520 4.082 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.317 12.607 6.810 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.882 11.565 6.663 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.134 11.539 5.398 1.00 0.00 H new ATOM 1296 N GLU A 94 12.829 11.456 2.309 1.00 0.00 N ATOM 1297 CA GLU A 94 13.388 10.641 1.232 1.00 0.00 C ATOM 1298 C GLU A 94 12.470 10.687 0.020 1.00 0.00 C ATOM 1299 O GLU A 94 12.925 10.718 -1.122 1.00 0.00 O ATOM 1300 CB GLU A 94 13.584 9.190 1.684 1.00 0.00 C ATOM 1301 CG GLU A 94 14.447 9.042 2.924 1.00 0.00 C ATOM 1302 CD GLU A 94 14.819 7.601 3.212 1.00 0.00 C ATOM 1303 OE1 GLU A 94 14.282 6.701 2.533 1.00 0.00 O ATOM 1304 OE2 GLU A 94 15.648 7.373 4.118 1.00 0.00 O ATOM 0 H GLU A 94 11.836 11.664 2.205 1.00 0.00 H new ATOM 0 HA GLU A 94 14.363 11.049 0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.608 8.745 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.036 8.624 0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.357 9.630 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.916 9.454 3.782 1.00 0.00 H new ATOM 1311 N GLY A 95 11.172 10.728 0.289 1.00 0.00 N ATOM 1312 CA GLY A 95 10.192 10.819 -0.765 1.00 0.00 C ATOM 1313 C GLY A 95 9.754 12.252 -0.923 1.00 0.00 C ATOM 1314 O GLY A 95 9.550 12.736 -2.033 1.00 0.00 O ATOM 0 H GLY A 95 10.781 10.699 1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.614 10.451 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.333 10.189 -0.533 1.00 0.00 H new ATOM 1318 N ASN A 96 9.652 12.939 0.213 1.00 0.00 N ATOM 1319 CA ASN A 96 9.280 14.343 0.235 1.00 0.00 C ATOM 1320 C ASN A 96 10.446 15.170 -0.303 1.00 0.00 C ATOM 1321 O ASN A 96 10.597 15.319 -1.512 1.00 0.00 O ATOM 1322 CB ASN A 96 8.915 14.765 1.668 1.00 0.00 C ATOM 1323 CG ASN A 96 8.781 16.268 1.832 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.201 16.925 0.835 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.194 16.832 2.844 1.00 0.00 N flip ATOM 0 H ASN A 96 9.824 12.538 1.135 1.00 0.00 H new ATOM 0 HA ASN A 96 8.407 14.511 -0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.976 14.290 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.678 14.398 2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.634 16.289 3.587 1.00 0.00 H new ATOM 0 HD22 ASN A 96 9.097 17.843 2.940 1.00 0.00 H new ATOM 1332 N LYS A 97 11.287 15.675 0.602 1.00 0.00 N ATOM 1333 CA LYS A 97 12.463 16.454 0.223 1.00 0.00 C ATOM 1334 C LYS A 97 12.186 17.417 -0.941 1.00 0.00 C ATOM 1335 O LYS A 97 13.102 17.787 -1.672 1.00 0.00 O ATOM 1336 CB LYS A 97 13.607 15.499 -0.136 1.00 0.00 C ATOM 1337 CG LYS A 97 13.443 14.822 -1.487 1.00 0.00 C ATOM 1338 CD LYS A 97 12.925 13.404 -1.345 1.00 0.00 C ATOM 1339 CE LYS A 97 12.331 12.897 -2.649 1.00 0.00 C ATOM 1340 NZ LYS A 97 13.385 12.501 -3.623 1.00 0.00 N ATOM 0 H LYS A 97 11.172 15.556 1.609 1.00 0.00 H new ATOM 0 HA LYS A 97 12.742 17.071 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.545 16.053 -0.130 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.684 14.733 0.636 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.755 15.401 -2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.401 14.809 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.738 12.748 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.169 13.368 -0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.685 12.043 -2.446 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.704 13.673 -3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.938 12.161 -4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.986 13.322 -3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.968 11.743 -3.215 1.00 0.00 H new ATOM 1354 N ARG A 98 10.925 17.815 -1.111 1.00 0.00 N ATOM 1355 CA ARG A 98 10.559 18.722 -2.187 1.00 0.00 C ATOM 1356 C ARG A 98 9.094 19.146 -2.092 1.00 0.00 C ATOM 1357 O ARG A 98 8.737 20.268 -2.455 1.00 0.00 O ATOM 1358 CB ARG A 98 10.839 18.059 -3.536 1.00 0.00 C ATOM 1359 CG ARG A 98 9.866 16.945 -3.901 1.00 0.00 C ATOM 1360 CD ARG A 98 10.584 15.631 -4.178 1.00 0.00 C ATOM 1361 NE ARG A 98 10.576 15.290 -5.600 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.465 15.747 -6.480 1.00 0.00 C ATOM 1363 NH1 ARG A 98 12.440 16.561 -6.094 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.381 15.384 -7.753 1.00 0.00 N ATOM 0 H ARG A 98 10.148 17.523 -0.519 1.00 0.00 H new ATOM 0 HA ARG A 98 11.165 19.624 -2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.810 18.821 -4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.850 17.653 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.153 16.805 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.293 17.238 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.614 15.700 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.108 14.831 -3.611 1.00 0.00 H new ATOM 0 HE ARG A 98 9.845 14.664 -5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.513 16.842 -5.116 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.116 16.906 -6.775 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.637 14.756 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.061 15.733 -8.429 1.00 0.00 H new ATOM 1378 N GLY A 99 8.252 18.243 -1.608 1.00 0.00 N ATOM 1379 CA GLY A 99 6.836 18.535 -1.475 1.00 0.00 C ATOM 1380 C GLY A 99 5.967 17.503 -2.168 1.00 0.00 C ATOM 1381 O GLY A 99 4.791 17.750 -2.435 1.00 0.00 O ATOM 0 H GLY A 99 8.525 17.309 -1.303 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.574 18.576 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.630 19.520 -1.893 1.00 0.00 H new ATOM 1385 N MET A 100 6.551 16.346 -2.466 1.00 0.00 N ATOM 1386 CA MET A 100 5.834 15.275 -3.135 1.00 0.00 C ATOM 1387 C MET A 100 6.676 14.003 -3.187 1.00 0.00 C ATOM 1388 O MET A 100 7.899 14.061 -3.090 1.00 0.00 O ATOM 1389 CB MET A 100 5.455 15.710 -4.547 1.00 0.00 C ATOM 1390 CG MET A 100 6.614 15.675 -5.531 1.00 0.00 C ATOM 1391 SD MET A 100 6.113 16.106 -7.208 1.00 0.00 S ATOM 1392 CE MET A 100 4.586 15.181 -7.347 1.00 0.00 C ATOM 0 H MET A 100 7.524 16.129 -2.252 1.00 0.00 H new ATOM 0 HA MET A 100 4.928 15.060 -2.568 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.658 15.063 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 100 5.052 16.722 -4.510 1.00 0.00 H new ATOM 0 HG2 MET A 100 7.389 16.366 -5.199 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.055 14.678 -5.532 1.00 0.00 H new ATOM 0 HE1 MET A 100 4.383 14.969 -8.397 1.00 0.00 H new ATOM 0 HE2 MET A 100 4.677 14.243 -6.799 1.00 0.00 H new ATOM 0 HE3 MET A 100 3.767 15.767 -6.930 1.00 0.00 H new ATOM 1402 N ILE A 101 6.013 12.861 -3.339 1.00 0.00 N ATOM 1403 CA ILE A 101 6.710 11.580 -3.402 1.00 0.00 C ATOM 1404 C ILE A 101 5.998 10.610 -4.343 1.00 0.00 C ATOM 1405 O ILE A 101 4.774 10.634 -4.470 1.00 0.00 O ATOM 1406 CB ILE A 101 6.862 10.943 -1.992 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.261 9.534 -1.934 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.225 11.824 -0.928 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.436 8.867 -0.588 1.00 0.00 C ATOM 0 H ILE A 101 4.998 12.796 -3.421 1.00 0.00 H new ATOM 0 HA ILE A 101 7.707 11.777 -3.796 1.00 0.00 H new ATOM 0 HB ILE A 101 7.930 10.861 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.198 9.589 -2.169 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.726 8.916 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.344 11.357 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.710 12.800 -0.926 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.164 11.947 -1.145 1.00 0.00 H new ATOM 0 HD11 ILE A 101 5.989 7.873 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.498 8.781 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 101 5.947 9.465 0.181 1.00 0.00 H new ATOM 1421 N GLN A 102 6.777 9.751 -4.994 1.00 0.00 N ATOM 1422 CA GLN A 102 6.227 8.766 -5.917 1.00 0.00 C ATOM 1423 C GLN A 102 6.024 7.431 -5.207 1.00 0.00 C ATOM 1424 O GLN A 102 6.853 7.022 -4.394 1.00 0.00 O ATOM 1425 CB GLN A 102 7.154 8.584 -7.119 1.00 0.00 C ATOM 1426 CG GLN A 102 6.584 7.673 -8.195 1.00 0.00 C ATOM 1427 CD GLN A 102 7.584 7.368 -9.291 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.663 8.078 -10.293 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.358 6.304 -9.106 1.00 0.00 N ATOM 0 H GLN A 102 7.792 9.718 -4.899 1.00 0.00 H new ATOM 0 HA GLN A 102 5.262 9.127 -6.272 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.365 9.560 -7.556 1.00 0.00 H new ATOM 0 HB3 GLN A 102 8.105 8.176 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.255 6.739 -7.738 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.703 8.142 -8.633 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.259 5.742 -8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.051 6.049 -9.810 1.00 0.00 H new ATOM 1438 N LEU A 103 4.918 6.763 -5.508 1.00 0.00 N ATOM 1439 CA LEU A 103 4.617 5.482 -4.883 1.00 0.00 C ATOM 1440 C LEU A 103 4.005 4.502 -5.877 1.00 0.00 C ATOM 1441 O LEU A 103 2.955 4.769 -6.462 1.00 0.00 O ATOM 1442 CB LEU A 103 3.656 5.683 -3.709 1.00 0.00 C ATOM 1443 CG LEU A 103 4.289 6.262 -2.441 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.504 7.472 -1.957 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.362 5.203 -1.349 1.00 0.00 C ATOM 0 H LEU A 103 4.218 7.085 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 103 5.557 5.062 -4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.851 6.344 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.202 4.723 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 103 5.303 6.582 -2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.969 7.870 -1.055 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.502 8.238 -2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.478 7.176 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.815 5.633 -0.455 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.357 4.853 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 103 4.967 4.365 -1.695 1.00 0.00 H new ATOM 1457 N ILE A 104 4.657 3.356 -6.047 1.00 0.00 N ATOM 1458 CA ILE A 104 4.160 2.328 -6.950 1.00 0.00 C ATOM 1459 C ILE A 104 3.292 1.344 -6.184 1.00 0.00 C ATOM 1460 O ILE A 104 3.588 0.998 -5.040 1.00 0.00 O ATOM 1461 CB ILE A 104 5.306 1.568 -7.646 1.00 0.00 C ATOM 1462 CG1 ILE A 104 6.142 2.529 -8.487 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.756 0.445 -8.517 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.326 3.342 -9.471 1.00 0.00 C ATOM 0 H ILE A 104 5.528 3.118 -5.572 1.00 0.00 H new ATOM 0 HA ILE A 104 3.572 2.826 -7.721 1.00 0.00 H new ATOM 0 HB ILE A 104 5.943 1.127 -6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.677 3.208 -7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.894 1.960 -9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.581 -0.079 -8.999 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.195 -0.254 -7.897 1.00 0.00 H new ATOM 0 HG23 ILE A 104 4.098 0.864 -9.278 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.986 4.002 -10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.812 2.671 -10.159 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.592 3.939 -8.929 1.00 0.00 H new ATOM 1476 N VAL A 105 2.212 0.907 -6.812 1.00 0.00 N ATOM 1477 CA VAL A 105 1.295 -0.026 -6.169 1.00 0.00 C ATOM 1478 C VAL A 105 0.751 -1.063 -7.141 1.00 0.00 C ATOM 1479 O VAL A 105 0.849 -0.906 -8.358 1.00 0.00 O ATOM 1480 CB VAL A 105 0.109 0.715 -5.526 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.586 1.607 -4.389 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.640 1.528 -6.572 1.00 0.00 C ATOM 0 H VAL A 105 1.948 1.180 -7.759 1.00 0.00 H new ATOM 0 HA VAL A 105 1.874 -0.537 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.576 -0.025 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.267 2.122 -3.948 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.075 0.998 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.293 2.341 -4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.476 2.046 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.035 2.259 -7.017 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.017 0.863 -7.349 1.00 0.00 H new ATOM 1492 N ALA A 106 0.158 -2.113 -6.585 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.432 -3.179 -7.381 1.00 0.00 C ATOM 1494 C ALA A 106 -1.937 -3.228 -7.154 1.00 0.00 C ATOM 1495 O ALA A 106 -2.410 -3.020 -6.035 1.00 0.00 O ATOM 1496 CB ALA A 106 0.205 -4.517 -7.034 1.00 0.00 C ATOM 0 H ALA A 106 0.074 -2.248 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.244 -2.975 -8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.248 -5.303 -7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.275 -4.474 -7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.045 -4.733 -5.978 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.691 -3.492 -8.216 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.144 -3.551 -8.115 1.00 0.00 C ATOM 1504 C ARG A 107 -4.704 -4.695 -8.953 1.00 0.00 C ATOM 1505 O ARG A 107 -4.645 -4.662 -10.182 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.756 -2.222 -8.566 1.00 0.00 C ATOM 1507 CG ARG A 107 -5.494 -1.490 -7.459 1.00 0.00 C ATOM 1508 CD ARG A 107 -6.895 -2.048 -7.265 1.00 0.00 C ATOM 1509 NE ARG A 107 -7.659 -1.276 -6.290 1.00 0.00 N ATOM 1510 CZ ARG A 107 -8.988 -1.296 -6.206 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -9.702 -2.049 -7.033 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -9.605 -0.561 -5.291 1.00 0.00 N ATOM 0 H ARG A 107 -2.323 -3.667 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.406 -3.731 -7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.965 -1.579 -8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -5.445 -2.409 -9.390 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -4.934 -1.576 -6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.553 -0.428 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.421 -2.049 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -6.830 -3.085 -6.936 1.00 0.00 H new ATOM 0 HE ARG A 107 -7.145 -0.687 -5.635 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.233 -2.617 -7.739 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.720 -2.060 -6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.062 0.019 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.623 -0.576 -5.226 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.248 -5.706 -8.281 1.00 0.00 N ATOM 1527 CA ARG A 108 -5.812 -6.854 -8.973 1.00 0.00 C ATOM 1528 C ARG A 108 -6.980 -6.438 -9.862 1.00 0.00 C ATOM 1529 O ARG A 108 -7.561 -5.368 -9.682 1.00 0.00 O ATOM 1530 CB ARG A 108 -6.250 -7.928 -7.977 1.00 0.00 C ATOM 1531 CG ARG A 108 -5.533 -9.253 -8.182 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.232 -10.109 -9.227 1.00 0.00 C ATOM 1533 NE ARG A 108 -5.887 -11.522 -9.099 1.00 0.00 N ATOM 1534 CZ ARG A 108 -6.376 -12.321 -8.153 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -7.233 -11.852 -7.255 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -6.008 -13.595 -8.107 1.00 0.00 N ATOM 0 H ARG A 108 -5.309 -5.751 -7.264 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.034 -7.275 -9.610 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -6.065 -7.573 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.325 -8.084 -8.068 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.504 -9.067 -8.491 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.489 -9.794 -7.237 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.311 -9.989 -9.130 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.960 -9.759 -10.223 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.233 -11.920 -9.773 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.521 -10.874 -7.287 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.604 -12.470 -6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -5.351 -13.961 -8.796 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.382 -14.208 -7.383 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.311 -7.288 -10.828 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.400 -7.013 -11.755 1.00 0.00 C ATOM 1552 C ILE A 109 -9.516 -8.042 -11.606 1.00 0.00 C ATOM 1553 O ILE A 109 -9.312 -9.110 -11.028 1.00 0.00 O ATOM 1554 CB ILE A 109 -7.907 -7.012 -13.219 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.550 -6.313 -13.332 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.929 -6.346 -14.125 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.613 -4.819 -13.114 1.00 0.00 C ATOM 0 H ILE A 109 -6.837 -8.177 -10.989 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.785 -6.023 -11.510 1.00 0.00 H new ATOM 0 HB ILE A 109 -7.785 -8.046 -13.540 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -5.866 -6.748 -12.604 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.132 -6.509 -14.319 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.565 -6.354 -15.152 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.873 -6.889 -14.070 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.084 -5.316 -13.803 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.613 -4.395 -13.210 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -7.271 -4.370 -13.858 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -7.000 -4.613 -12.116 1.00 0.00 H new ATOM 1569 N SER A 110 -10.694 -7.713 -12.126 1.00 0.00 N ATOM 1570 CA SER A 110 -11.841 -8.611 -12.046 1.00 0.00 C ATOM 1571 C SER A 110 -12.295 -8.785 -10.599 1.00 0.00 C ATOM 1572 O SER A 110 -12.138 -9.855 -10.012 1.00 0.00 O ATOM 1573 CB SER A 110 -11.498 -9.973 -12.655 1.00 0.00 C ATOM 1574 OG SER A 110 -10.918 -9.826 -13.939 1.00 0.00 O ATOM 0 H SER A 110 -10.880 -6.833 -12.607 1.00 0.00 H new ATOM 0 HA SER A 110 -12.658 -8.166 -12.614 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.808 -10.505 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.400 -10.580 -12.727 1.00 0.00 H new ATOM 0 HG SER A 110 -10.707 -10.710 -14.306 1.00 0.00 H new TER 1580 SER A 110