USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1029 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 120 SER OG : rot 173:sc= 0.401 USER MOD Set 1.2: A 124 HIS : no HD1:sc= -0.137 X(o=0.26,f=0.32) USER MOD Set 2.1: A 59 HIS : no HD1:sc= -4.93 K(o=-5.6,f=-12!) USER MOD Set 2.2: A 92 HIS :FLIP no HD1:sc= -0.626 F(o=-6.1,f=-5.6) USER MOD Set 2.3: A 102 THR OG1 : rot -170:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -124:sc= 0.0598 (180deg=-0.231) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= -0.625 (180deg=-0.952) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.8!) USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0.00999 (180deg=-0.717) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00284 USER MOD Single : A 30 ASN : amide:sc= -2.35! C(o=-2.4!,f=-2.8!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -170:sc= -1.95 USER MOD Single : A 41 TYR OH : rot -108:sc= -0.173 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.57) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -2.18 K(o=-2.2,f=-4.6!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.497 USER MOD Single : A 60 TYR OH : rot 130:sc= -1.02 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot -58:sc= 0.159 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 71 SER OG : rot 86:sc= 1.02 USER MOD Single : A 78 THR OG1 : rot -63:sc= 0.374 USER MOD Single : A 80 GLN : amide:sc= -0.66 K(o=-0.66,f=-4.3!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.112 X(o=-0.11,f=-0.5) USER MOD Single : A 91 GLN : amide:sc= -0.674 K(o=-0.67,f=-1.8!) USER MOD Single : A 96 GLN : amide:sc= -4.43! C(o=-4.4!,f=-7.9!) USER MOD Single : A 100 SER OG : rot 180:sc= -0.732 USER MOD Single : A 106 TYR OH : rot 104:sc= 0.27 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot -18:sc= 0.86 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ -169:sc= -0.658 (180deg=-1.24) USER MOD Single : A 123 LYS NZ :NH3+ 161:sc= -0.293 (180deg=-1.26) USER MOD Single : A 128 ASN : amide:sc= -0.37 X(o=-0.37,f=-0.0057) USER MOD Single : A 133 GLN : amide:sc= -0.113 K(o=-0.11,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 98.982 -3.759 15.364 1.00 0.00 N ATOM 2 CA GLU A 1 100.418 -3.466 15.636 1.00 0.00 C ATOM 3 C GLU A 1 101.275 -4.649 15.183 1.00 0.00 C ATOM 4 O GLU A 1 100.776 -5.730 14.942 1.00 0.00 O ATOM 5 CB GLU A 1 100.616 -3.237 17.137 1.00 0.00 C ATOM 6 CG GLU A 1 100.078 -1.858 17.519 1.00 0.00 C ATOM 7 CD GLU A 1 101.138 -0.794 17.221 1.00 0.00 C ATOM 8 OE1 GLU A 1 101.885 -0.463 18.127 1.00 0.00 O ATOM 9 OE2 GLU A 1 101.183 -0.332 16.094 1.00 0.00 O ATOM 0 H1 GLU A 1 98.580 -3.005 14.771 1.00 0.00 H new ATOM 0 H2 GLU A 1 98.901 -4.670 14.868 1.00 0.00 H new ATOM 0 H3 GLU A 1 98.461 -3.807 16.263 1.00 0.00 H new ATOM 0 HA GLU A 1 100.716 -2.572 15.089 1.00 0.00 H new ATOM 0 HB2 GLU A 1 100.099 -4.011 17.705 1.00 0.00 H new ATOM 0 HB3 GLU A 1 101.674 -3.309 17.390 1.00 0.00 H new ATOM 0 HG2 GLU A 1 99.166 -1.644 16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 1 99.816 -1.839 18.577 1.00 0.00 H new ATOM 18 N HIS A 2 102.560 -4.453 15.066 1.00 0.00 N ATOM 19 CA HIS A 2 103.448 -5.568 14.630 1.00 0.00 C ATOM 20 C HIS A 2 102.970 -6.098 13.274 1.00 0.00 C ATOM 21 O HIS A 2 101.821 -5.948 12.911 1.00 0.00 O ATOM 22 CB HIS A 2 103.399 -6.695 15.669 1.00 0.00 C ATOM 23 CG HIS A 2 104.510 -6.511 16.666 1.00 0.00 C ATOM 24 ND1 HIS A 2 104.678 -5.330 17.376 1.00 0.00 N ATOM 25 CD2 HIS A 2 105.516 -7.347 17.084 1.00 0.00 C ATOM 26 CE1 HIS A 2 105.749 -5.488 18.177 1.00 0.00 C ATOM 27 NE2 HIS A 2 106.293 -6.698 18.035 1.00 0.00 N ATOM 0 H HIS A 2 103.033 -3.569 15.253 1.00 0.00 H new ATOM 0 HA HIS A 2 104.472 -5.206 14.537 1.00 0.00 H new ATOM 0 HB2 HIS A 2 102.435 -6.692 16.178 1.00 0.00 H new ATOM 0 HB3 HIS A 2 103.496 -7.662 15.176 1.00 0.00 H new ATOM 0 HD2 HIS A 2 105.678 -8.354 16.728 1.00 0.00 H new ATOM 0 HE1 HIS A 2 106.121 -4.730 18.850 1.00 0.00 H new ATOM 0 HE2 HIS A 2 107.109 -7.069 18.523 1.00 0.00 H new ATOM 35 N PRO A 3 103.852 -6.714 12.533 1.00 0.00 N ATOM 36 CA PRO A 3 103.524 -7.282 11.192 1.00 0.00 C ATOM 37 C PRO A 3 102.462 -8.383 11.283 1.00 0.00 C ATOM 38 O PRO A 3 102.772 -9.546 11.449 1.00 0.00 O ATOM 39 CB PRO A 3 104.856 -7.855 10.689 1.00 0.00 C ATOM 40 CG PRO A 3 105.719 -8.002 11.900 1.00 0.00 C ATOM 41 CD PRO A 3 105.259 -6.939 12.893 1.00 0.00 C ATOM 0 HA PRO A 3 103.106 -6.528 10.525 1.00 0.00 H new ATOM 0 HB2 PRO A 3 104.707 -8.816 10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 3 105.317 -7.190 9.959 1.00 0.00 H new ATOM 0 HG2 PRO A 3 105.621 -9.000 12.327 1.00 0.00 H new ATOM 0 HG3 PRO A 3 106.770 -7.866 11.646 1.00 0.00 H new ATOM 0 HD2 PRO A 3 105.359 -7.282 13.923 1.00 0.00 H new ATOM 0 HD3 PRO A 3 105.847 -6.025 12.803 1.00 0.00 H new ATOM 49 N GLU A 4 101.213 -8.023 11.180 1.00 0.00 N ATOM 50 CA GLU A 4 100.132 -9.044 11.268 1.00 0.00 C ATOM 51 C GLU A 4 99.928 -9.711 9.907 1.00 0.00 C ATOM 52 O GLU A 4 99.775 -10.912 9.812 1.00 0.00 O ATOM 53 CB GLU A 4 98.829 -8.371 11.705 1.00 0.00 C ATOM 54 CG GLU A 4 98.829 -8.198 13.226 1.00 0.00 C ATOM 55 CD GLU A 4 98.508 -9.538 13.891 1.00 0.00 C ATOM 56 OE1 GLU A 4 98.421 -10.524 13.180 1.00 0.00 O ATOM 57 OE2 GLU A 4 98.354 -9.553 15.102 1.00 0.00 O ATOM 0 H GLU A 4 100.894 -7.065 11.039 1.00 0.00 H new ATOM 0 HA GLU A 4 100.417 -9.802 11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 4 98.727 -7.401 11.218 1.00 0.00 H new ATOM 0 HB3 GLU A 4 97.975 -8.974 11.397 1.00 0.00 H new ATOM 0 HG2 GLU A 4 99.801 -7.837 13.562 1.00 0.00 H new ATOM 0 HG3 GLU A 4 98.093 -7.449 13.518 1.00 0.00 H new ATOM 64 N PHE A 5 99.917 -8.945 8.853 1.00 0.00 N ATOM 65 CA PHE A 5 99.712 -9.545 7.505 1.00 0.00 C ATOM 66 C PHE A 5 100.685 -10.710 7.308 1.00 0.00 C ATOM 67 O PHE A 5 100.329 -11.744 6.779 1.00 0.00 O ATOM 68 CB PHE A 5 99.950 -8.492 6.418 1.00 0.00 C ATOM 69 CG PHE A 5 99.326 -8.969 5.126 1.00 0.00 C ATOM 70 CD1 PHE A 5 97.936 -9.060 5.017 1.00 0.00 C ATOM 71 CD2 PHE A 5 100.137 -9.337 4.047 1.00 0.00 C ATOM 72 CE1 PHE A 5 97.355 -9.515 3.832 1.00 0.00 C ATOM 73 CE2 PHE A 5 99.556 -9.791 2.858 1.00 0.00 C ATOM 74 CZ PHE A 5 98.163 -9.881 2.750 1.00 0.00 C ATOM 0 H PHE A 5 100.041 -7.933 8.866 1.00 0.00 H new ATOM 0 HA PHE A 5 98.687 -9.908 7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 5 99.515 -7.538 6.716 1.00 0.00 H new ATOM 0 HB3 PHE A 5 101.019 -8.327 6.281 1.00 0.00 H new ATOM 0 HD1 PHE A 5 97.310 -8.778 5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 5 101.212 -9.271 4.132 1.00 0.00 H new ATOM 0 HE1 PHE A 5 96.280 -9.585 3.750 1.00 0.00 H new ATOM 0 HE2 PHE A 5 100.182 -10.072 2.024 1.00 0.00 H new ATOM 0 HZ PHE A 5 97.713 -10.232 1.833 1.00 0.00 H new ATOM 84 N LEU A 6 101.910 -10.555 7.729 1.00 0.00 N ATOM 85 CA LEU A 6 102.897 -11.657 7.562 1.00 0.00 C ATOM 86 C LEU A 6 102.528 -12.819 8.489 1.00 0.00 C ATOM 87 O LEU A 6 102.824 -13.963 8.212 1.00 0.00 O ATOM 88 CB LEU A 6 104.299 -11.148 7.908 1.00 0.00 C ATOM 89 CG LEU A 6 104.710 -10.062 6.906 1.00 0.00 C ATOM 90 CD1 LEU A 6 104.486 -8.678 7.521 1.00 0.00 C ATOM 91 CD2 LEU A 6 106.192 -10.225 6.553 1.00 0.00 C ATOM 0 H LEU A 6 102.269 -9.714 8.181 1.00 0.00 H new ATOM 0 HA LEU A 6 102.884 -12.001 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 6 104.312 -10.747 8.921 1.00 0.00 H new ATOM 0 HB3 LEU A 6 105.013 -11.971 7.882 1.00 0.00 H new ATOM 0 HG LEU A 6 104.105 -10.160 6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 6 104.779 -7.910 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 6 103.432 -8.557 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 6 105.087 -8.580 8.425 1.00 0.00 H new ATOM 0 HD21 LEU A 6 106.483 -9.453 5.841 1.00 0.00 H new ATOM 0 HD22 LEU A 6 106.794 -10.131 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 6 106.355 -11.207 6.110 1.00 0.00 H new ATOM 103 N LYS A 7 101.881 -12.534 9.586 1.00 0.00 N ATOM 104 CA LYS A 7 101.495 -13.622 10.525 1.00 0.00 C ATOM 105 C LYS A 7 100.049 -14.042 10.249 1.00 0.00 C ATOM 106 O LYS A 7 99.490 -14.871 10.941 1.00 0.00 O ATOM 107 CB LYS A 7 101.617 -13.122 11.966 1.00 0.00 C ATOM 108 CG LYS A 7 103.059 -13.302 12.448 1.00 0.00 C ATOM 109 CD LYS A 7 103.251 -12.560 13.772 1.00 0.00 C ATOM 110 CE LYS A 7 104.723 -12.623 14.183 1.00 0.00 C ATOM 111 NZ LYS A 7 105.366 -13.809 13.550 1.00 0.00 N ATOM 0 H LYS A 7 101.604 -11.595 9.871 1.00 0.00 H new ATOM 0 HA LYS A 7 102.156 -14.477 10.383 1.00 0.00 H new ATOM 0 HB2 LYS A 7 101.332 -12.072 12.023 1.00 0.00 H new ATOM 0 HB3 LYS A 7 100.935 -13.673 12.613 1.00 0.00 H new ATOM 0 HG2 LYS A 7 103.281 -14.361 12.577 1.00 0.00 H new ATOM 0 HG3 LYS A 7 103.754 -12.920 11.700 1.00 0.00 H new ATOM 0 HD2 LYS A 7 102.935 -11.522 13.668 1.00 0.00 H new ATOM 0 HD3 LYS A 7 102.627 -13.007 14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 7 105.236 -11.711 13.877 1.00 0.00 H new ATOM 0 HE3 LYS A 7 104.806 -12.687 15.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 106.312 -13.950 13.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 104.784 -14.653 13.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 105.451 -13.652 12.525 1.00 0.00 H new ATOM 125 N ALA A 8 99.438 -13.477 9.244 1.00 0.00 N ATOM 126 CA ALA A 8 98.030 -13.841 8.925 1.00 0.00 C ATOM 127 C ALA A 8 97.945 -15.339 8.623 1.00 0.00 C ATOM 128 O ALA A 8 98.895 -15.945 8.169 1.00 0.00 O ATOM 129 CB ALA A 8 97.564 -13.049 7.701 1.00 0.00 C ATOM 0 H ALA A 8 99.855 -12.778 8.629 1.00 0.00 H new ATOM 0 HA ALA A 8 97.392 -13.605 9.777 1.00 0.00 H new ATOM 0 HB1 ALA A 8 96.533 -13.315 7.467 1.00 0.00 H new ATOM 0 HB2 ALA A 8 97.624 -11.982 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 8 98.202 -13.286 6.850 1.00 0.00 H new ATOM 135 N GLY A 9 96.813 -15.941 8.871 1.00 0.00 N ATOM 136 CA GLY A 9 96.668 -17.399 8.599 1.00 0.00 C ATOM 137 C GLY A 9 95.887 -18.059 9.737 1.00 0.00 C ATOM 138 O GLY A 9 96.256 -19.107 10.229 1.00 0.00 O ATOM 0 H GLY A 9 95.983 -15.486 9.250 1.00 0.00 H new ATOM 0 HA2 GLY A 9 96.150 -17.553 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 9 97.651 -17.861 8.503 1.00 0.00 H new ATOM 142 N LYS A 10 94.812 -17.453 10.161 1.00 0.00 N ATOM 143 CA LYS A 10 94.012 -18.047 11.267 1.00 0.00 C ATOM 144 C LYS A 10 92.536 -17.678 11.088 1.00 0.00 C ATOM 145 O LYS A 10 91.773 -17.658 12.033 1.00 0.00 O ATOM 146 CB LYS A 10 94.517 -17.503 12.605 1.00 0.00 C ATOM 147 CG LYS A 10 94.218 -16.004 12.693 1.00 0.00 C ATOM 148 CD LYS A 10 94.930 -15.407 13.910 1.00 0.00 C ATOM 149 CE LYS A 10 94.039 -15.552 15.144 1.00 0.00 C ATOM 150 NZ LYS A 10 94.686 -14.876 16.305 1.00 0.00 N ATOM 0 H LYS A 10 94.454 -16.573 9.789 1.00 0.00 H new ATOM 0 HA LYS A 10 94.117 -19.132 11.251 1.00 0.00 H new ATOM 0 HB2 LYS A 10 94.035 -18.030 13.429 1.00 0.00 H new ATOM 0 HB3 LYS A 10 95.589 -17.677 12.699 1.00 0.00 H new ATOM 0 HG2 LYS A 10 94.550 -15.503 11.783 1.00 0.00 H new ATOM 0 HG3 LYS A 10 93.143 -15.842 12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 10 95.881 -15.914 14.073 1.00 0.00 H new ATOM 0 HD3 LYS A 10 95.156 -14.355 13.733 1.00 0.00 H new ATOM 0 HE2 LYS A 10 93.060 -15.113 14.953 1.00 0.00 H new ATOM 0 HE3 LYS A 10 93.877 -16.607 15.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 94.081 -14.974 17.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 95.610 -15.315 16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 94.819 -13.867 16.090 1.00 0.00 H new ATOM 164 N GLU A 11 92.129 -17.388 9.882 1.00 0.00 N ATOM 165 CA GLU A 11 90.706 -17.024 9.643 1.00 0.00 C ATOM 166 C GLU A 11 90.278 -17.529 8.259 1.00 0.00 C ATOM 167 O GLU A 11 90.817 -17.113 7.254 1.00 0.00 O ATOM 168 CB GLU A 11 90.551 -15.502 9.695 1.00 0.00 C ATOM 169 CG GLU A 11 90.833 -15.002 11.114 1.00 0.00 C ATOM 170 CD GLU A 11 90.060 -13.707 11.365 1.00 0.00 C ATOM 171 OE1 GLU A 11 90.631 -12.649 11.159 1.00 0.00 O ATOM 172 OE2 GLU A 11 88.907 -13.794 11.758 1.00 0.00 O ATOM 0 H GLU A 11 92.722 -17.388 9.052 1.00 0.00 H new ATOM 0 HA GLU A 11 90.081 -17.480 10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 11 91.238 -15.033 8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 11 89.543 -15.219 9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 11 90.540 -15.759 11.842 1.00 0.00 H new ATOM 0 HG3 GLU A 11 91.902 -14.831 11.244 1.00 0.00 H new ATOM 179 N PRO A 12 89.317 -18.419 8.202 1.00 0.00 N ATOM 180 CA PRO A 12 88.823 -18.980 6.911 1.00 0.00 C ATOM 181 C PRO A 12 87.893 -18.010 6.176 1.00 0.00 C ATOM 182 O PRO A 12 86.696 -18.009 6.381 1.00 0.00 O ATOM 183 CB PRO A 12 88.063 -20.237 7.332 1.00 0.00 C ATOM 184 CG PRO A 12 87.596 -19.968 8.726 1.00 0.00 C ATOM 185 CD PRO A 12 88.596 -18.992 9.352 1.00 0.00 C ATOM 0 HA PRO A 12 89.638 -19.177 6.214 1.00 0.00 H new ATOM 0 HB2 PRO A 12 87.222 -20.430 6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 12 88.706 -21.116 7.296 1.00 0.00 H new ATOM 0 HG2 PRO A 12 86.593 -19.542 8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 12 87.547 -20.892 9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 12 88.089 -18.218 9.929 1.00 0.00 H new ATOM 0 HD3 PRO A 12 89.276 -19.503 10.033 1.00 0.00 H new ATOM 193 N GLY A 13 88.434 -17.186 5.320 1.00 0.00 N ATOM 194 CA GLY A 13 87.578 -16.221 4.575 1.00 0.00 C ATOM 195 C GLY A 13 88.457 -15.157 3.915 1.00 0.00 C ATOM 196 O GLY A 13 88.974 -15.349 2.833 1.00 0.00 O ATOM 0 H GLY A 13 89.430 -17.140 5.105 1.00 0.00 H new ATOM 0 HA2 GLY A 13 86.995 -16.746 3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 13 86.868 -15.750 5.254 1.00 0.00 H new ATOM 200 N LEU A 14 88.630 -14.036 4.560 1.00 0.00 N ATOM 201 CA LEU A 14 89.474 -12.960 3.971 1.00 0.00 C ATOM 202 C LEU A 14 89.921 -11.997 5.072 1.00 0.00 C ATOM 203 O LEU A 14 89.124 -11.523 5.857 1.00 0.00 O ATOM 204 CB LEU A 14 88.661 -12.191 2.925 1.00 0.00 C ATOM 205 CG LEU A 14 89.578 -11.225 2.166 1.00 0.00 C ATOM 206 CD1 LEU A 14 90.053 -11.880 0.867 1.00 0.00 C ATOM 207 CD2 LEU A 14 88.808 -9.943 1.835 1.00 0.00 C ATOM 0 H LEU A 14 88.223 -13.819 5.470 1.00 0.00 H new ATOM 0 HA LEU A 14 90.351 -13.405 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 14 88.195 -12.888 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 14 87.856 -11.638 3.410 1.00 0.00 H new ATOM 0 HG LEU A 14 90.440 -10.984 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 14 90.705 -11.191 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 14 90.602 -12.793 1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 14 89.191 -12.123 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 14 89.460 -9.256 1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 14 87.945 -10.187 1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 14 88.470 -9.473 2.759 1.00 0.00 H new ATOM 219 N GLN A 15 91.193 -11.701 5.135 1.00 0.00 N ATOM 220 CA GLN A 15 91.693 -10.766 6.185 1.00 0.00 C ATOM 221 C GLN A 15 92.210 -9.487 5.521 1.00 0.00 C ATOM 222 O GLN A 15 92.908 -9.532 4.527 1.00 0.00 O ATOM 223 CB GLN A 15 92.829 -11.434 6.961 1.00 0.00 C ATOM 224 CG GLN A 15 92.579 -12.942 7.034 1.00 0.00 C ATOM 225 CD GLN A 15 93.296 -13.520 8.256 1.00 0.00 C ATOM 226 OE1 GLN A 15 93.342 -12.898 9.299 1.00 0.00 O ATOM 227 NE2 GLN A 15 93.861 -14.693 8.172 1.00 0.00 N ATOM 0 H GLN A 15 91.907 -12.066 4.505 1.00 0.00 H new ATOM 0 HA GLN A 15 90.882 -10.518 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 15 93.783 -11.236 6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 15 92.892 -11.016 7.966 1.00 0.00 H new ATOM 0 HG2 GLN A 15 91.509 -13.141 7.099 1.00 0.00 H new ATOM 0 HG3 GLN A 15 92.939 -13.425 6.126 1.00 0.00 H new ATOM 0 HE21 GLN A 15 93.823 -15.216 7.297 1.00 0.00 H new ATOM 0 HE22 GLN A 15 94.341 -15.087 8.981 1.00 0.00 H new ATOM 236 N ILE A 16 91.872 -8.346 6.064 1.00 0.00 N ATOM 237 CA ILE A 16 92.339 -7.062 5.462 1.00 0.00 C ATOM 238 C ILE A 16 93.267 -6.335 6.436 1.00 0.00 C ATOM 239 O ILE A 16 93.000 -6.246 7.617 1.00 0.00 O ATOM 240 CB ILE A 16 91.131 -6.172 5.158 1.00 0.00 C ATOM 241 CG1 ILE A 16 90.163 -6.921 4.238 1.00 0.00 C ATOM 242 CG2 ILE A 16 91.602 -4.891 4.467 1.00 0.00 C ATOM 243 CD1 ILE A 16 88.748 -6.371 4.430 1.00 0.00 C ATOM 0 H ILE A 16 91.293 -8.248 6.898 1.00 0.00 H new ATOM 0 HA ILE A 16 92.881 -7.277 4.541 1.00 0.00 H new ATOM 0 HB ILE A 16 90.624 -5.918 6.089 1.00 0.00 H new ATOM 0 HG12 ILE A 16 90.471 -6.807 3.199 1.00 0.00 H new ATOM 0 HG13 ILE A 16 90.184 -7.988 4.462 1.00 0.00 H new ATOM 0 HG21 ILE A 16 90.742 -4.257 4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 16 92.291 -4.357 5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 16 92.109 -5.145 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 16 88.059 -6.904 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 16 88.442 -6.508 5.467 1.00 0.00 H new ATOM 0 HD13 ILE A 16 88.734 -5.309 4.184 1.00 0.00 H new ATOM 255 N TRP A 17 94.358 -5.812 5.943 1.00 0.00 N ATOM 256 CA TRP A 17 95.306 -5.083 6.831 1.00 0.00 C ATOM 257 C TRP A 17 95.837 -3.852 6.089 1.00 0.00 C ATOM 258 O TRP A 17 96.209 -3.927 4.934 1.00 0.00 O ATOM 259 CB TRP A 17 96.474 -6.007 7.197 1.00 0.00 C ATOM 260 CG TRP A 17 96.267 -6.575 8.567 1.00 0.00 C ATOM 261 CD1 TRP A 17 96.405 -5.885 9.722 1.00 0.00 C ATOM 262 CD2 TRP A 17 95.898 -7.935 8.946 1.00 0.00 C ATOM 263 NE1 TRP A 17 96.144 -6.732 10.784 1.00 0.00 N ATOM 264 CE2 TRP A 17 95.828 -8.006 10.357 1.00 0.00 C ATOM 265 CE3 TRP A 17 95.620 -9.101 8.210 1.00 0.00 C ATOM 266 CZ2 TRP A 17 95.497 -9.193 11.014 1.00 0.00 C ATOM 267 CZ3 TRP A 17 95.288 -10.295 8.868 1.00 0.00 C ATOM 268 CH2 TRP A 17 95.226 -10.342 10.266 1.00 0.00 C ATOM 0 H TRP A 17 94.633 -5.859 4.962 1.00 0.00 H new ATOM 0 HA TRP A 17 94.795 -4.771 7.742 1.00 0.00 H new ATOM 0 HB2 TRP A 17 96.553 -6.813 6.468 1.00 0.00 H new ATOM 0 HB3 TRP A 17 97.412 -5.453 7.162 1.00 0.00 H new ATOM 0 HD1 TRP A 17 96.675 -4.842 9.802 1.00 0.00 H new ATOM 0 HE1 TRP A 17 96.181 -6.450 11.763 1.00 0.00 H new ATOM 0 HE3 TRP A 17 95.662 -9.077 7.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 95.451 -9.223 12.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 95.079 -11.184 8.292 1.00 0.00 H new ATOM 0 HH2 TRP A 17 94.969 -11.265 10.765 1.00 0.00 H new ATOM 279 N ARG A 18 95.875 -2.722 6.739 1.00 0.00 N ATOM 280 CA ARG A 18 96.382 -1.491 6.063 1.00 0.00 C ATOM 281 C ARG A 18 97.844 -1.261 6.453 1.00 0.00 C ATOM 282 O ARG A 18 98.288 -1.681 7.502 1.00 0.00 O ATOM 283 CB ARG A 18 95.534 -0.288 6.489 1.00 0.00 C ATOM 284 CG ARG A 18 96.329 1.006 6.287 1.00 0.00 C ATOM 285 CD ARG A 18 95.388 2.207 6.393 1.00 0.00 C ATOM 286 NE ARG A 18 96.188 3.449 6.590 1.00 0.00 N ATOM 287 CZ ARG A 18 95.585 4.595 6.752 1.00 0.00 C ATOM 288 NH1 ARG A 18 96.286 5.683 6.922 1.00 0.00 N ATOM 289 NH2 ARG A 18 94.281 4.654 6.742 1.00 0.00 N ATOM 0 H ARG A 18 95.578 -2.596 7.707 1.00 0.00 H new ATOM 0 HA ARG A 18 96.314 -1.613 4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 18 94.614 -0.255 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 18 95.244 -0.388 7.535 1.00 0.00 H new ATOM 0 HG2 ARG A 18 97.117 1.081 7.036 1.00 0.00 H new ATOM 0 HG3 ARG A 18 96.816 0.997 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 18 94.784 2.290 5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 18 94.698 2.070 7.226 1.00 0.00 H new ATOM 0 HE ARG A 18 97.207 3.403 6.598 1.00 0.00 H new ATOM 0 HH11 ARG A 18 97.305 5.637 6.928 1.00 0.00 H new ATOM 0 HH12 ARG A 18 95.815 6.579 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 18 93.733 3.804 6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 18 93.810 5.550 6.869 1.00 0.00 H new ATOM 303 N VAL A 19 98.600 -0.602 5.613 1.00 0.00 N ATOM 304 CA VAL A 19 100.036 -0.352 5.935 1.00 0.00 C ATOM 305 C VAL A 19 100.228 1.120 6.320 1.00 0.00 C ATOM 306 O VAL A 19 99.902 2.015 5.565 1.00 0.00 O ATOM 307 CB VAL A 19 100.891 -0.680 4.706 1.00 0.00 C ATOM 308 CG1 VAL A 19 102.208 0.097 4.763 1.00 0.00 C ATOM 309 CG2 VAL A 19 101.188 -2.182 4.684 1.00 0.00 C ATOM 0 H VAL A 19 98.285 -0.227 4.719 1.00 0.00 H new ATOM 0 HA VAL A 19 100.340 -0.982 6.771 1.00 0.00 H new ATOM 0 HB VAL A 19 100.348 -0.397 3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.810 -0.142 3.886 1.00 0.00 H new ATOM 0 HG12 VAL A 19 101.999 1.167 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 19 102.755 -0.180 5.664 1.00 0.00 H new ATOM 0 HG21 VAL A 19 101.796 -2.420 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 19 101.728 -2.459 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 19 100.251 -2.737 4.636 1.00 0.00 H new ATOM 319 N GLU A 20 100.759 1.380 7.487 1.00 0.00 N ATOM 320 CA GLU A 20 100.974 2.794 7.909 1.00 0.00 C ATOM 321 C GLU A 20 102.127 3.383 7.098 1.00 0.00 C ATOM 322 O GLU A 20 103.268 3.358 7.511 1.00 0.00 O ATOM 323 CB GLU A 20 101.315 2.846 9.403 1.00 0.00 C ATOM 324 CG GLU A 20 102.011 4.171 9.733 1.00 0.00 C ATOM 325 CD GLU A 20 101.661 4.591 11.163 1.00 0.00 C ATOM 326 OE1 GLU A 20 101.330 5.749 11.354 1.00 0.00 O ATOM 327 OE2 GLU A 20 101.730 3.750 12.041 1.00 0.00 O ATOM 0 H GLU A 20 101.052 0.675 8.164 1.00 0.00 H new ATOM 0 HA GLU A 20 100.066 3.371 7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 20 100.406 2.745 9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 20 101.962 2.010 9.667 1.00 0.00 H new ATOM 0 HG2 GLU A 20 103.091 4.062 9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 20 101.699 4.943 9.029 1.00 0.00 H new ATOM 334 N LYS A 21 101.835 3.915 5.947 1.00 0.00 N ATOM 335 CA LYS A 21 102.908 4.509 5.102 1.00 0.00 C ATOM 336 C LYS A 21 104.078 3.525 4.978 1.00 0.00 C ATOM 337 O LYS A 21 105.086 3.827 4.372 1.00 0.00 O ATOM 338 CB LYS A 21 103.399 5.809 5.748 1.00 0.00 C ATOM 339 CG LYS A 21 103.786 6.812 4.658 1.00 0.00 C ATOM 340 CD LYS A 21 104.159 8.150 5.303 1.00 0.00 C ATOM 341 CE LYS A 21 103.894 9.288 4.315 1.00 0.00 C ATOM 342 NZ LYS A 21 104.428 8.916 2.975 1.00 0.00 N ATOM 0 H LYS A 21 100.896 3.965 5.552 1.00 0.00 H new ATOM 0 HA LYS A 21 102.511 4.719 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 21 102.618 6.229 6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 21 104.256 5.606 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 21 104.626 6.429 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 21 102.956 6.949 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 21 103.577 8.302 6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 21 105.209 8.145 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 21 102.824 9.486 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 21 104.367 10.205 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 104.673 9.778 2.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 105.278 8.327 3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 103.706 8.382 2.450 1.00 0.00 H new ATOM 356 N PHE A 22 103.951 2.352 5.544 1.00 0.00 N ATOM 357 CA PHE A 22 105.056 1.351 5.455 1.00 0.00 C ATOM 358 C PHE A 22 104.920 0.338 6.599 1.00 0.00 C ATOM 359 O PHE A 22 105.318 -0.804 6.477 1.00 0.00 O ATOM 360 CB PHE A 22 106.408 2.069 5.559 1.00 0.00 C ATOM 361 CG PHE A 22 107.427 1.159 6.207 1.00 0.00 C ATOM 362 CD1 PHE A 22 108.018 0.130 5.465 1.00 0.00 C ATOM 363 CD2 PHE A 22 107.780 1.347 7.548 1.00 0.00 C ATOM 364 CE1 PHE A 22 108.963 -0.713 6.065 1.00 0.00 C ATOM 365 CE2 PHE A 22 108.723 0.505 8.149 1.00 0.00 C ATOM 366 CZ PHE A 22 109.315 -0.525 7.407 1.00 0.00 C ATOM 0 H PHE A 22 103.129 2.044 6.064 1.00 0.00 H new ATOM 0 HA PHE A 22 104.998 0.828 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 22 106.750 2.364 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 22 106.300 2.983 6.144 1.00 0.00 H new ATOM 0 HD1 PHE A 22 107.746 -0.014 4.430 1.00 0.00 H new ATOM 0 HD2 PHE A 22 107.325 2.142 8.120 1.00 0.00 H new ATOM 0 HE1 PHE A 22 109.419 -1.507 5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 22 108.994 0.649 9.184 1.00 0.00 H new ATOM 0 HZ PHE A 22 110.043 -1.174 7.870 1.00 0.00 H new ATOM 376 N ASP A 23 104.368 0.747 7.709 1.00 0.00 N ATOM 377 CA ASP A 23 104.217 -0.192 8.857 1.00 0.00 C ATOM 378 C ASP A 23 102.944 -1.027 8.674 1.00 0.00 C ATOM 379 O ASP A 23 102.448 -1.185 7.578 1.00 0.00 O ATOM 380 CB ASP A 23 104.134 0.609 10.163 1.00 0.00 C ATOM 381 CG ASP A 23 105.287 0.210 11.089 1.00 0.00 C ATOM 382 OD1 ASP A 23 105.101 -0.708 11.872 1.00 0.00 O ATOM 383 OD2 ASP A 23 106.333 0.827 10.999 1.00 0.00 O ATOM 0 H ASP A 23 104.015 1.690 7.870 1.00 0.00 H new ATOM 0 HA ASP A 23 105.078 -0.860 8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 23 104.180 1.677 9.949 1.00 0.00 H new ATOM 0 HB3 ASP A 23 103.179 0.423 10.655 1.00 0.00 H new ATOM 388 N LEU A 24 102.415 -1.563 9.742 1.00 0.00 N ATOM 389 CA LEU A 24 101.176 -2.390 9.634 1.00 0.00 C ATOM 390 C LEU A 24 100.047 -1.719 10.425 1.00 0.00 C ATOM 391 O LEU A 24 100.230 -1.304 11.553 1.00 0.00 O ATOM 392 CB LEU A 24 101.447 -3.789 10.203 1.00 0.00 C ATOM 393 CG LEU A 24 101.117 -4.857 9.154 1.00 0.00 C ATOM 394 CD1 LEU A 24 99.675 -4.675 8.666 1.00 0.00 C ATOM 395 CD2 LEU A 24 102.086 -4.733 7.970 1.00 0.00 C ATOM 0 H LEU A 24 102.788 -1.464 10.686 1.00 0.00 H new ATOM 0 HA LEU A 24 100.882 -2.477 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 24 102.492 -3.872 10.502 1.00 0.00 H new ATOM 0 HB3 LEU A 24 100.846 -3.949 11.098 1.00 0.00 H new ATOM 0 HG LEU A 24 101.221 -5.846 9.601 1.00 0.00 H new ATOM 0 HD11 LEU A 24 99.444 -5.436 7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 24 98.991 -4.773 9.509 1.00 0.00 H new ATOM 0 HD13 LEU A 24 99.563 -3.686 8.221 1.00 0.00 H new ATOM 0 HD21 LEU A 24 101.850 -5.493 7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 24 101.989 -3.744 7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 24 103.109 -4.874 8.320 1.00 0.00 H new ATOM 407 N VAL A 25 98.885 -1.603 9.839 1.00 0.00 N ATOM 408 CA VAL A 25 97.749 -0.956 10.547 1.00 0.00 C ATOM 409 C VAL A 25 96.514 -1.864 10.457 1.00 0.00 C ATOM 410 O VAL A 25 96.054 -2.177 9.376 1.00 0.00 O ATOM 411 CB VAL A 25 97.446 0.375 9.864 1.00 0.00 C ATOM 412 CG1 VAL A 25 96.965 1.396 10.896 1.00 0.00 C ATOM 413 CG2 VAL A 25 98.713 0.893 9.187 1.00 0.00 C ATOM 0 H VAL A 25 98.676 -1.931 8.896 1.00 0.00 H new ATOM 0 HA VAL A 25 98.003 -0.791 11.594 1.00 0.00 H new ATOM 0 HB VAL A 25 96.664 0.227 9.120 1.00 0.00 H new ATOM 0 HG11 VAL A 25 96.751 2.342 10.399 1.00 0.00 H new ATOM 0 HG12 VAL A 25 96.060 1.027 11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 25 97.740 1.547 11.647 1.00 0.00 H new ATOM 0 HG21 VAL A 25 98.501 1.844 8.698 1.00 0.00 H new ATOM 0 HG22 VAL A 25 99.493 1.036 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 25 99.050 0.170 8.444 1.00 0.00 H new ATOM 423 N PRO A 26 95.975 -2.283 11.574 1.00 0.00 N ATOM 424 CA PRO A 26 94.774 -3.162 11.597 1.00 0.00 C ATOM 425 C PRO A 26 93.481 -2.384 11.333 1.00 0.00 C ATOM 426 O PRO A 26 93.239 -1.348 11.919 1.00 0.00 O ATOM 427 CB PRO A 26 94.775 -3.735 13.013 1.00 0.00 C ATOM 428 CG PRO A 26 95.466 -2.710 13.851 1.00 0.00 C ATOM 429 CD PRO A 26 96.445 -1.969 12.934 1.00 0.00 C ATOM 0 HA PRO A 26 94.812 -3.924 10.818 1.00 0.00 H new ATOM 0 HB2 PRO A 26 93.759 -3.913 13.366 1.00 0.00 H new ATOM 0 HB3 PRO A 26 95.297 -4.691 13.050 1.00 0.00 H new ATOM 0 HG2 PRO A 26 94.745 -2.018 14.286 1.00 0.00 H new ATOM 0 HG3 PRO A 26 95.995 -3.182 14.679 1.00 0.00 H new ATOM 0 HD2 PRO A 26 96.432 -0.895 13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 26 97.470 -2.307 13.089 1.00 0.00 H new ATOM 437 N VAL A 27 92.651 -2.876 10.451 1.00 0.00 N ATOM 438 CA VAL A 27 91.375 -2.165 10.147 1.00 0.00 C ATOM 439 C VAL A 27 90.196 -2.981 10.689 1.00 0.00 C ATOM 440 O VAL A 27 89.783 -3.953 10.089 1.00 0.00 O ATOM 441 CB VAL A 27 91.231 -2.016 8.632 1.00 0.00 C ATOM 442 CG1 VAL A 27 89.821 -1.526 8.299 1.00 0.00 C ATOM 443 CG2 VAL A 27 92.256 -1.002 8.120 1.00 0.00 C ATOM 0 H VAL A 27 92.802 -3.739 9.929 1.00 0.00 H new ATOM 0 HA VAL A 27 91.384 -1.181 10.615 1.00 0.00 H new ATOM 0 HB VAL A 27 91.403 -2.981 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 27 89.718 -1.420 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 27 89.090 -2.247 8.664 1.00 0.00 H new ATOM 0 HG13 VAL A 27 89.649 -0.561 8.776 1.00 0.00 H new ATOM 0 HG21 VAL A 27 92.154 -0.895 7.040 1.00 0.00 H new ATOM 0 HG22 VAL A 27 92.084 -0.038 8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 27 93.262 -1.350 8.357 1.00 0.00 H new ATOM 453 N PRO A 28 89.655 -2.587 11.816 1.00 0.00 N ATOM 454 CA PRO A 28 88.501 -3.297 12.441 1.00 0.00 C ATOM 455 C PRO A 28 87.350 -3.513 11.453 1.00 0.00 C ATOM 456 O PRO A 28 87.217 -2.803 10.476 1.00 0.00 O ATOM 457 CB PRO A 28 88.064 -2.366 13.574 1.00 0.00 C ATOM 458 CG PRO A 28 89.267 -1.546 13.902 1.00 0.00 C ATOM 459 CD PRO A 28 90.083 -1.428 12.615 1.00 0.00 C ATOM 0 HA PRO A 28 88.779 -4.294 12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 28 87.231 -1.735 13.264 1.00 0.00 H new ATOM 0 HB3 PRO A 28 87.728 -2.934 14.441 1.00 0.00 H new ATOM 0 HG2 PRO A 28 88.976 -0.561 14.267 1.00 0.00 H new ATOM 0 HG3 PRO A 28 89.854 -2.018 14.690 1.00 0.00 H new ATOM 0 HD2 PRO A 28 89.880 -0.490 12.098 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.154 -1.456 12.817 1.00 0.00 H new ATOM 467 N THR A 29 86.518 -4.488 11.702 1.00 0.00 N ATOM 468 CA THR A 29 85.378 -4.747 10.780 1.00 0.00 C ATOM 469 C THR A 29 84.394 -3.576 10.843 1.00 0.00 C ATOM 470 O THR A 29 83.503 -3.457 10.026 1.00 0.00 O ATOM 471 CB THR A 29 84.665 -6.036 11.198 1.00 0.00 C ATOM 472 OG1 THR A 29 85.632 -7.029 11.508 1.00 0.00 O ATOM 473 CG2 THR A 29 83.776 -6.525 10.053 1.00 0.00 C ATOM 0 H THR A 29 86.579 -5.115 12.504 1.00 0.00 H new ATOM 0 HA THR A 29 85.752 -4.853 9.762 1.00 0.00 H new ATOM 0 HB THR A 29 84.048 -5.843 12.075 1.00 0.00 H new ATOM 0 HG1 THR A 29 85.178 -7.855 11.778 1.00 0.00 H new ATOM 0 HG21 THR A 29 83.269 -7.443 10.352 1.00 0.00 H new ATOM 0 HG22 THR A 29 83.035 -5.762 9.816 1.00 0.00 H new ATOM 0 HG23 THR A 29 84.390 -6.720 9.173 1.00 0.00 H new ATOM 481 N ASN A 30 84.549 -2.713 11.809 1.00 0.00 N ATOM 482 CA ASN A 30 83.625 -1.550 11.924 1.00 0.00 C ATOM 483 C ASN A 30 83.986 -0.504 10.868 1.00 0.00 C ATOM 484 O ASN A 30 83.260 0.447 10.649 1.00 0.00 O ATOM 485 CB ASN A 30 83.753 -0.933 13.318 1.00 0.00 C ATOM 486 CG ASN A 30 82.700 0.165 13.491 1.00 0.00 C ATOM 487 OD1 ASN A 30 82.712 1.150 12.782 1.00 0.00 O ATOM 488 ND2 ASN A 30 81.783 0.032 14.409 1.00 0.00 N ATOM 0 H ASN A 30 85.275 -2.763 12.523 1.00 0.00 H new ATOM 0 HA ASN A 30 82.599 -1.884 11.767 1.00 0.00 H new ATOM 0 HB2 ASN A 30 83.621 -1.701 14.080 1.00 0.00 H new ATOM 0 HB3 ASN A 30 84.752 -0.518 13.453 1.00 0.00 H new ATOM 0 HD21 ASN A 30 81.075 0.756 14.531 1.00 0.00 H new ATOM 0 HD22 ASN A 30 81.774 -0.796 15.004 1.00 0.00 H new ATOM 495 N LEU A 31 85.101 -0.673 10.210 1.00 0.00 N ATOM 496 CA LEU A 31 85.512 0.308 9.168 1.00 0.00 C ATOM 497 C LEU A 31 85.707 -0.418 7.834 1.00 0.00 C ATOM 498 O LEU A 31 85.629 0.175 6.778 1.00 0.00 O ATOM 499 CB LEU A 31 86.826 0.974 9.583 1.00 0.00 C ATOM 500 CG LEU A 31 86.617 1.750 10.885 1.00 0.00 C ATOM 501 CD1 LEU A 31 87.959 2.308 11.366 1.00 0.00 C ATOM 502 CD2 LEU A 31 85.644 2.907 10.639 1.00 0.00 C ATOM 0 H LEU A 31 85.746 -1.451 10.350 1.00 0.00 H new ATOM 0 HA LEU A 31 84.739 1.068 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 31 87.601 0.220 9.717 1.00 0.00 H new ATOM 0 HB3 LEU A 31 87.169 1.647 8.797 1.00 0.00 H new ATOM 0 HG LEU A 31 86.206 1.084 11.643 1.00 0.00 H new ATOM 0 HD11 LEU A 31 87.812 2.861 12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 31 88.653 1.486 11.540 1.00 0.00 H new ATOM 0 HD13 LEU A 31 88.369 2.975 10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 31 85.495 3.460 11.566 1.00 0.00 H new ATOM 0 HD22 LEU A 31 86.055 3.574 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 31 84.688 2.512 10.294 1.00 0.00 H new ATOM 514 N TYR A 32 85.961 -1.697 7.876 1.00 0.00 N ATOM 515 CA TYR A 32 86.160 -2.458 6.612 1.00 0.00 C ATOM 516 C TYR A 32 85.110 -2.026 5.586 1.00 0.00 C ATOM 517 O TYR A 32 83.953 -1.840 5.910 1.00 0.00 O ATOM 518 CB TYR A 32 86.022 -3.959 6.892 1.00 0.00 C ATOM 519 CG TYR A 32 85.696 -4.693 5.613 1.00 0.00 C ATOM 520 CD1 TYR A 32 86.388 -4.390 4.433 1.00 0.00 C ATOM 521 CD2 TYR A 32 84.704 -5.680 5.608 1.00 0.00 C ATOM 522 CE1 TYR A 32 86.084 -5.071 3.249 1.00 0.00 C ATOM 523 CE2 TYR A 32 84.401 -6.363 4.423 1.00 0.00 C ATOM 524 CZ TYR A 32 85.091 -6.058 3.244 1.00 0.00 C ATOM 525 OH TYR A 32 84.793 -6.731 2.076 1.00 0.00 O ATOM 0 H TYR A 32 86.039 -2.247 8.731 1.00 0.00 H new ATOM 0 HA TYR A 32 87.155 -2.255 6.217 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.948 -4.345 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 32 85.238 -4.130 7.629 1.00 0.00 H new ATOM 0 HD1 TYR A 32 87.156 -3.631 4.437 1.00 0.00 H new ATOM 0 HD2 TYR A 32 84.172 -5.915 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 32 86.615 -4.835 2.339 1.00 0.00 H new ATOM 0 HE2 TYR A 32 83.635 -7.125 4.419 1.00 0.00 H new ATOM 0 HH TYR A 32 84.082 -7.383 2.247 1.00 0.00 H new ATOM 535 N GLY A 33 85.504 -1.862 4.352 1.00 0.00 N ATOM 536 CA GLY A 33 84.531 -1.439 3.303 1.00 0.00 C ATOM 537 C GLY A 33 85.059 -0.193 2.593 1.00 0.00 C ATOM 538 O GLY A 33 84.767 0.045 1.436 1.00 0.00 O ATOM 0 H GLY A 33 86.460 -2.003 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 33 84.381 -2.245 2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 33 83.561 -1.230 3.754 1.00 0.00 H new ATOM 542 N ASP A 34 85.833 0.607 3.274 1.00 0.00 N ATOM 543 CA ASP A 34 86.381 1.839 2.639 1.00 0.00 C ATOM 544 C ASP A 34 87.873 1.651 2.362 1.00 0.00 C ATOM 545 O ASP A 34 88.567 0.962 3.084 1.00 0.00 O ATOM 546 CB ASP A 34 86.184 3.028 3.583 1.00 0.00 C ATOM 547 CG ASP A 34 84.751 3.546 3.461 1.00 0.00 C ATOM 548 OD1 ASP A 34 84.066 3.581 4.470 1.00 0.00 O ATOM 549 OD2 ASP A 34 84.363 3.902 2.360 1.00 0.00 O ATOM 0 H ASP A 34 86.110 0.460 4.245 1.00 0.00 H new ATOM 0 HA ASP A 34 85.859 2.027 1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 34 86.387 2.727 4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 34 86.890 3.821 3.338 1.00 0.00 H new ATOM 554 N PHE A 35 88.372 2.257 1.320 1.00 0.00 N ATOM 555 CA PHE A 35 89.821 2.112 0.997 1.00 0.00 C ATOM 556 C PHE A 35 90.363 3.446 0.480 1.00 0.00 C ATOM 557 O PHE A 35 89.980 3.917 -0.573 1.00 0.00 O ATOM 558 CB PHE A 35 89.999 1.039 -0.080 1.00 0.00 C ATOM 559 CG PHE A 35 89.639 -0.312 0.492 1.00 0.00 C ATOM 560 CD1 PHE A 35 88.391 -0.883 0.207 1.00 0.00 C ATOM 561 CD2 PHE A 35 90.550 -0.993 1.307 1.00 0.00 C ATOM 562 CE1 PHE A 35 88.058 -2.135 0.737 1.00 0.00 C ATOM 563 CE2 PHE A 35 90.216 -2.245 1.837 1.00 0.00 C ATOM 564 CZ PHE A 35 88.970 -2.815 1.552 1.00 0.00 C ATOM 0 H PHE A 35 87.841 2.846 0.679 1.00 0.00 H new ATOM 0 HA PHE A 35 90.366 1.820 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 35 89.367 1.262 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 35 91.029 1.033 -0.436 1.00 0.00 H new ATOM 0 HD1 PHE A 35 87.687 -0.357 -0.421 1.00 0.00 H new ATOM 0 HD2 PHE A 35 91.511 -0.553 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 35 87.097 -2.576 0.517 1.00 0.00 H new ATOM 0 HE2 PHE A 35 90.920 -2.771 2.466 1.00 0.00 H new ATOM 0 HZ PHE A 35 88.712 -3.781 1.961 1.00 0.00 H new ATOM 574 N PHE A 36 91.253 4.058 1.211 1.00 0.00 N ATOM 575 CA PHE A 36 91.818 5.361 0.762 1.00 0.00 C ATOM 576 C PHE A 36 92.895 5.114 -0.296 1.00 0.00 C ATOM 577 O PHE A 36 93.449 4.036 -0.392 1.00 0.00 O ATOM 578 CB PHE A 36 92.437 6.089 1.959 1.00 0.00 C ATOM 579 CG PHE A 36 91.510 5.986 3.145 1.00 0.00 C ATOM 580 CD1 PHE A 36 90.292 6.677 3.145 1.00 0.00 C ATOM 581 CD2 PHE A 36 91.867 5.198 4.247 1.00 0.00 C ATOM 582 CE1 PHE A 36 89.432 6.581 4.246 1.00 0.00 C ATOM 583 CE2 PHE A 36 91.008 5.102 5.348 1.00 0.00 C ATOM 584 CZ PHE A 36 89.790 5.794 5.346 1.00 0.00 C ATOM 0 H PHE A 36 91.613 3.712 2.100 1.00 0.00 H new ATOM 0 HA PHE A 36 91.023 5.973 0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 36 93.406 5.653 2.202 1.00 0.00 H new ATOM 0 HB3 PHE A 36 92.612 7.136 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 36 90.016 7.284 2.296 1.00 0.00 H new ATOM 0 HD2 PHE A 36 92.806 4.664 4.247 1.00 0.00 H new ATOM 0 HE1 PHE A 36 88.493 7.114 4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 36 91.284 4.495 6.198 1.00 0.00 H new ATOM 0 HZ PHE A 36 89.126 5.720 6.195 1.00 0.00 H new ATOM 594 N THR A 37 93.197 6.103 -1.090 1.00 0.00 N ATOM 595 CA THR A 37 94.239 5.924 -2.142 1.00 0.00 C ATOM 596 C THR A 37 95.572 6.479 -1.638 1.00 0.00 C ATOM 597 O THR A 37 96.590 6.368 -2.291 1.00 0.00 O ATOM 598 CB THR A 37 93.817 6.677 -3.408 1.00 0.00 C ATOM 599 OG1 THR A 37 93.664 8.057 -3.108 1.00 0.00 O ATOM 600 CG2 THR A 37 92.492 6.113 -3.922 1.00 0.00 C ATOM 0 H THR A 37 92.768 7.028 -1.057 1.00 0.00 H new ATOM 0 HA THR A 37 94.350 4.864 -2.369 1.00 0.00 H new ATOM 0 HB THR A 37 94.582 6.555 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 37 93.245 8.512 -3.868 1.00 0.00 H new ATOM 0 HG21 THR A 37 92.193 6.650 -4.822 1.00 0.00 H new ATOM 0 HG22 THR A 37 92.612 5.055 -4.153 1.00 0.00 H new ATOM 0 HG23 THR A 37 91.725 6.232 -3.157 1.00 0.00 H new ATOM 608 N GLY A 38 95.575 7.079 -0.478 1.00 0.00 N ATOM 609 CA GLY A 38 96.843 7.641 0.066 1.00 0.00 C ATOM 610 C GLY A 38 97.579 6.565 0.867 1.00 0.00 C ATOM 611 O GLY A 38 98.470 6.855 1.642 1.00 0.00 O ATOM 0 H GLY A 38 94.755 7.204 0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 38 97.474 7.997 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 38 96.629 8.500 0.702 1.00 0.00 H new ATOM 615 N ASP A 39 97.214 5.324 0.689 1.00 0.00 N ATOM 616 CA ASP A 39 97.894 4.233 1.440 1.00 0.00 C ATOM 617 C ASP A 39 97.679 2.902 0.716 1.00 0.00 C ATOM 618 O ASP A 39 96.818 2.778 -0.132 1.00 0.00 O ATOM 619 CB ASP A 39 97.311 4.145 2.852 1.00 0.00 C ATOM 620 CG ASP A 39 97.404 5.513 3.530 1.00 0.00 C ATOM 621 OD1 ASP A 39 96.473 6.289 3.383 1.00 0.00 O ATOM 622 OD2 ASP A 39 98.402 5.762 4.185 1.00 0.00 O ATOM 0 H ASP A 39 96.474 5.020 0.056 1.00 0.00 H new ATOM 0 HA ASP A 39 98.961 4.445 1.500 1.00 0.00 H new ATOM 0 HB2 ASP A 39 96.272 3.819 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 39 97.854 3.401 3.435 1.00 0.00 H new ATOM 627 N ALA A 40 98.455 1.905 1.046 1.00 0.00 N ATOM 628 CA ALA A 40 98.297 0.580 0.380 1.00 0.00 C ATOM 629 C ALA A 40 97.686 -0.416 1.368 1.00 0.00 C ATOM 630 O ALA A 40 97.855 -0.297 2.567 1.00 0.00 O ATOM 631 CB ALA A 40 99.666 0.072 -0.076 1.00 0.00 C ATOM 0 H ALA A 40 99.193 1.951 1.749 1.00 0.00 H new ATOM 0 HA ALA A 40 97.642 0.683 -0.485 1.00 0.00 H new ATOM 0 HB1 ALA A 40 99.551 -0.896 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 40 100.102 0.782 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 40 100.322 -0.032 0.788 1.00 0.00 H new ATOM 637 N TYR A 41 96.975 -1.396 0.877 1.00 0.00 N ATOM 638 CA TYR A 41 96.355 -2.398 1.792 1.00 0.00 C ATOM 639 C TYR A 41 96.684 -3.809 1.308 1.00 0.00 C ATOM 640 O TYR A 41 96.572 -4.115 0.138 1.00 0.00 O ATOM 641 CB TYR A 41 94.834 -2.213 1.797 1.00 0.00 C ATOM 642 CG TYR A 41 94.495 -0.754 1.990 1.00 0.00 C ATOM 643 CD1 TYR A 41 94.761 0.170 0.972 1.00 0.00 C ATOM 644 CD2 TYR A 41 93.907 -0.326 3.186 1.00 0.00 C ATOM 645 CE1 TYR A 41 94.441 1.522 1.152 1.00 0.00 C ATOM 646 CE2 TYR A 41 93.587 1.024 3.367 1.00 0.00 C ATOM 647 CZ TYR A 41 93.854 1.948 2.349 1.00 0.00 C ATOM 648 OH TYR A 41 93.538 3.279 2.528 1.00 0.00 O ATOM 0 H TYR A 41 96.797 -1.546 -0.116 1.00 0.00 H new ATOM 0 HA TYR A 41 96.748 -2.255 2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 41 94.412 -2.572 0.858 1.00 0.00 H new ATOM 0 HB3 TYR A 41 94.389 -2.807 2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 41 95.213 -0.160 0.048 1.00 0.00 H new ATOM 0 HD2 TYR A 41 93.700 -1.039 3.970 1.00 0.00 H new ATOM 0 HE1 TYR A 41 94.647 2.235 0.368 1.00 0.00 H new ATOM 0 HE2 TYR A 41 93.135 1.353 4.291 1.00 0.00 H new ATOM 0 HH TYR A 41 94.159 3.679 3.172 1.00 0.00 H new ATOM 658 N VAL A 42 97.075 -4.679 2.200 1.00 0.00 N ATOM 659 CA VAL A 42 97.392 -6.072 1.792 1.00 0.00 C ATOM 660 C VAL A 42 96.257 -6.981 2.245 1.00 0.00 C ATOM 661 O VAL A 42 95.725 -6.827 3.328 1.00 0.00 O ATOM 662 CB VAL A 42 98.679 -6.522 2.470 1.00 0.00 C ATOM 663 CG1 VAL A 42 99.542 -7.296 1.469 1.00 0.00 C ATOM 664 CG2 VAL A 42 99.456 -5.302 2.970 1.00 0.00 C ATOM 0 H VAL A 42 97.188 -4.482 3.194 1.00 0.00 H new ATOM 0 HA VAL A 42 97.513 -6.120 0.710 1.00 0.00 H new ATOM 0 HB VAL A 42 98.432 -7.165 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 42 100.463 -7.618 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 42 98.994 -8.169 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 42 99.784 -6.652 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 42 100.376 -5.630 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 42 99.700 -4.656 2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 42 98.846 -4.750 3.685 1.00 0.00 H new ATOM 674 N ILE A 43 95.872 -7.922 1.430 1.00 0.00 N ATOM 675 CA ILE A 43 94.759 -8.824 1.826 1.00 0.00 C ATOM 676 C ILE A 43 95.181 -10.284 1.668 1.00 0.00 C ATOM 677 O ILE A 43 95.758 -10.675 0.673 1.00 0.00 O ATOM 678 CB ILE A 43 93.542 -8.542 0.947 1.00 0.00 C ATOM 679 CG1 ILE A 43 93.665 -7.149 0.316 1.00 0.00 C ATOM 680 CG2 ILE A 43 92.290 -8.591 1.814 1.00 0.00 C ATOM 681 CD1 ILE A 43 93.762 -6.082 1.412 1.00 0.00 C ATOM 0 H ILE A 43 96.278 -8.104 0.512 1.00 0.00 H new ATOM 0 HA ILE A 43 94.507 -8.643 2.871 1.00 0.00 H new ATOM 0 HB ILE A 43 93.482 -9.289 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 43 94.547 -7.107 -0.323 1.00 0.00 H new ATOM 0 HG13 ILE A 43 92.802 -6.951 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 43 91.413 -8.391 1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 43 92.199 -9.579 2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 43 92.361 -7.838 2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 43 93.849 -5.097 0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 43 92.867 -6.116 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 43 94.639 -6.274 2.030 1.00 0.00 H new ATOM 693 N LEU A 44 94.886 -11.093 2.651 1.00 0.00 N ATOM 694 CA LEU A 44 95.256 -12.533 2.577 1.00 0.00 C ATOM 695 C LEU A 44 93.981 -13.376 2.559 1.00 0.00 C ATOM 696 O LEU A 44 93.279 -13.479 3.544 1.00 0.00 O ATOM 697 CB LEU A 44 96.099 -12.910 3.800 1.00 0.00 C ATOM 698 CG LEU A 44 96.459 -14.401 3.743 1.00 0.00 C ATOM 699 CD1 LEU A 44 97.888 -14.605 4.251 1.00 0.00 C ATOM 700 CD2 LEU A 44 95.495 -15.205 4.623 1.00 0.00 C ATOM 0 H LEU A 44 94.402 -10.815 3.505 1.00 0.00 H new ATOM 0 HA LEU A 44 95.833 -12.717 1.671 1.00 0.00 H new ATOM 0 HB2 LEU A 44 97.007 -12.308 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 44 95.547 -12.694 4.715 1.00 0.00 H new ATOM 0 HG LEU A 44 96.382 -14.744 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 44 98.141 -15.664 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 44 98.580 -14.042 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 44 97.962 -14.254 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 44 95.757 -16.262 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 44 95.567 -14.857 5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 44 94.475 -15.068 4.264 1.00 0.00 H new ATOM 712 N LYS A 45 93.677 -13.978 1.443 1.00 0.00 N ATOM 713 CA LYS A 45 92.447 -14.816 1.366 1.00 0.00 C ATOM 714 C LYS A 45 92.750 -16.203 1.935 1.00 0.00 C ATOM 715 O LYS A 45 93.834 -16.725 1.774 1.00 0.00 O ATOM 716 CB LYS A 45 92.002 -14.941 -0.091 1.00 0.00 C ATOM 717 CG LYS A 45 90.949 -16.044 -0.212 1.00 0.00 C ATOM 718 CD LYS A 45 90.150 -15.849 -1.501 1.00 0.00 C ATOM 719 CE LYS A 45 91.055 -16.108 -2.707 1.00 0.00 C ATOM 720 NZ LYS A 45 90.236 -16.097 -3.953 1.00 0.00 N ATOM 0 H LYS A 45 94.224 -13.927 0.584 1.00 0.00 H new ATOM 0 HA LYS A 45 91.648 -14.351 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 45 91.592 -13.993 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 45 92.858 -15.170 -0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 45 91.430 -17.022 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 45 90.281 -16.020 0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 45 89.298 -16.529 -1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 45 89.750 -14.836 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 45 91.832 -15.346 -2.763 1.00 0.00 H new ATOM 0 HE3 LYS A 45 91.558 -17.069 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 90.850 -16.273 -4.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 89.510 -16.840 -3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 89.776 -15.170 -4.058 1.00 0.00 H new ATOM 734 N THR A 46 91.804 -16.806 2.602 1.00 0.00 N ATOM 735 CA THR A 46 92.052 -18.157 3.179 1.00 0.00 C ATOM 736 C THR A 46 90.783 -19.004 3.074 1.00 0.00 C ATOM 737 O THR A 46 89.713 -18.585 3.469 1.00 0.00 O ATOM 738 CB THR A 46 92.453 -18.015 4.650 1.00 0.00 C ATOM 739 OG1 THR A 46 93.698 -17.337 4.736 1.00 0.00 O ATOM 740 CG2 THR A 46 92.580 -19.401 5.284 1.00 0.00 C ATOM 0 H THR A 46 90.874 -16.423 2.772 1.00 0.00 H new ATOM 0 HA THR A 46 92.855 -18.645 2.627 1.00 0.00 H new ATOM 0 HB THR A 46 91.690 -17.445 5.181 1.00 0.00 H new ATOM 0 HG1 THR A 46 93.956 -17.244 5.677 1.00 0.00 H new ATOM 0 HG21 THR A 46 92.865 -19.297 6.331 1.00 0.00 H new ATOM 0 HG22 THR A 46 91.624 -19.920 5.218 1.00 0.00 H new ATOM 0 HG23 THR A 46 93.341 -19.975 4.755 1.00 0.00 H new ATOM 748 N VAL A 47 90.889 -20.196 2.542 1.00 0.00 N ATOM 749 CA VAL A 47 89.689 -21.062 2.409 1.00 0.00 C ATOM 750 C VAL A 47 90.033 -22.472 2.879 1.00 0.00 C ATOM 751 O VAL A 47 91.179 -22.807 3.075 1.00 0.00 O ATOM 752 CB VAL A 47 89.269 -21.121 0.948 1.00 0.00 C ATOM 753 CG1 VAL A 47 87.748 -21.265 0.852 1.00 0.00 C ATOM 754 CG2 VAL A 47 89.710 -19.843 0.234 1.00 0.00 C ATOM 0 H VAL A 47 91.758 -20.603 2.195 1.00 0.00 H new ATOM 0 HA VAL A 47 88.878 -20.655 3.012 1.00 0.00 H new ATOM 0 HB VAL A 47 89.742 -21.981 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 47 87.452 -21.307 -0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 47 87.437 -22.181 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 47 87.271 -20.410 1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 47 89.408 -19.888 -0.812 1.00 0.00 H new ATOM 0 HG22 VAL A 47 89.243 -18.981 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 47 90.794 -19.748 0.295 1.00 0.00 H new ATOM 764 N GLN A 48 89.043 -23.297 3.045 1.00 0.00 N ATOM 765 CA GLN A 48 89.294 -24.698 3.490 1.00 0.00 C ATOM 766 C GLN A 48 89.265 -25.630 2.277 1.00 0.00 C ATOM 767 O GLN A 48 88.263 -25.754 1.602 1.00 0.00 O ATOM 768 CB GLN A 48 88.210 -25.120 4.484 1.00 0.00 C ATOM 769 CG GLN A 48 88.616 -26.434 5.155 1.00 0.00 C ATOM 770 CD GLN A 48 87.678 -26.719 6.328 1.00 0.00 C ATOM 771 OE1 GLN A 48 88.105 -26.777 7.464 1.00 0.00 O ATOM 772 NE2 GLN A 48 86.405 -26.902 6.100 1.00 0.00 N ATOM 0 H GLN A 48 88.062 -23.063 2.891 1.00 0.00 H new ATOM 0 HA GLN A 48 90.270 -24.757 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 48 88.069 -24.344 5.236 1.00 0.00 H new ATOM 0 HB3 GLN A 48 87.257 -25.242 3.969 1.00 0.00 H new ATOM 0 HG2 GLN A 48 88.573 -27.251 4.435 1.00 0.00 H new ATOM 0 HG3 GLN A 48 89.646 -26.372 5.506 1.00 0.00 H new ATOM 0 HE21 GLN A 48 86.046 -26.853 5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 48 85.770 -27.093 6.875 1.00 0.00 H new ATOM 781 N LEU A 49 90.359 -26.285 1.992 1.00 0.00 N ATOM 782 CA LEU A 49 90.393 -27.207 0.821 1.00 0.00 C ATOM 783 C LEU A 49 89.785 -28.554 1.211 1.00 0.00 C ATOM 784 O LEU A 49 89.611 -28.855 2.375 1.00 0.00 O ATOM 785 CB LEU A 49 91.843 -27.416 0.379 1.00 0.00 C ATOM 786 CG LEU A 49 92.438 -26.081 -0.073 1.00 0.00 C ATOM 787 CD1 LEU A 49 93.936 -26.254 -0.337 1.00 0.00 C ATOM 788 CD2 LEU A 49 91.743 -25.619 -1.356 1.00 0.00 C ATOM 0 H LEU A 49 91.230 -26.221 2.519 1.00 0.00 H new ATOM 0 HA LEU A 49 89.819 -26.772 0.003 1.00 0.00 H new ATOM 0 HB2 LEU A 49 92.429 -27.827 1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 49 91.885 -28.139 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 49 92.290 -25.335 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 49 94.361 -25.303 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 49 94.431 -26.582 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 49 94.084 -27.001 -1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 49 92.167 -24.668 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 49 91.889 -26.364 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 49 90.677 -25.495 -1.168 1.00 0.00 H new ATOM 800 N ARG A 50 89.462 -29.371 0.246 1.00 0.00 N ATOM 801 CA ARG A 50 88.869 -30.700 0.562 1.00 0.00 C ATOM 802 C ARG A 50 89.667 -31.349 1.694 1.00 0.00 C ATOM 803 O ARG A 50 89.135 -31.666 2.740 1.00 0.00 O ATOM 804 CB ARG A 50 88.925 -31.594 -0.679 1.00 0.00 C ATOM 805 CG ARG A 50 87.712 -31.311 -1.569 1.00 0.00 C ATOM 806 CD ARG A 50 88.068 -31.598 -3.029 1.00 0.00 C ATOM 807 NE ARG A 50 88.693 -30.389 -3.635 1.00 0.00 N ATOM 808 CZ ARG A 50 88.732 -30.256 -4.933 1.00 0.00 C ATOM 809 NH1 ARG A 50 89.279 -29.197 -5.464 1.00 0.00 N ATOM 810 NH2 ARG A 50 88.227 -31.182 -5.699 1.00 0.00 N ATOM 0 H ARG A 50 89.583 -29.175 -0.748 1.00 0.00 H new ATOM 0 HA ARG A 50 87.831 -30.574 0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 50 89.846 -31.409 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 50 88.936 -32.643 -0.384 1.00 0.00 H new ATOM 0 HG2 ARG A 50 86.870 -31.931 -1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 50 87.401 -30.272 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 50 88.754 -32.443 -3.088 1.00 0.00 H new ATOM 0 HD3 ARG A 50 87.172 -31.875 -3.585 1.00 0.00 H new ATOM 0 HE ARG A 50 89.090 -29.665 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 50 89.676 -28.473 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 50 89.310 -29.093 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 50 87.801 -32.011 -5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 50 88.258 -31.078 -6.713 1.00 0.00 H new ATOM 824 N ASN A 51 90.943 -31.544 1.497 1.00 0.00 N ATOM 825 CA ASN A 51 91.773 -32.166 2.566 1.00 0.00 C ATOM 826 C ASN A 51 91.746 -31.272 3.806 1.00 0.00 C ATOM 827 O ASN A 51 91.904 -31.732 4.920 1.00 0.00 O ATOM 828 CB ASN A 51 93.214 -32.312 2.073 1.00 0.00 C ATOM 829 CG ASN A 51 93.340 -33.583 1.232 1.00 0.00 C ATOM 830 OD1 ASN A 51 92.899 -34.641 1.637 1.00 0.00 O ATOM 831 ND2 ASN A 51 93.929 -33.526 0.068 1.00 0.00 N ATOM 0 H ASN A 51 91.445 -31.300 0.643 1.00 0.00 H new ATOM 0 HA ASN A 51 91.375 -33.150 2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 51 93.497 -31.442 1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 51 93.897 -32.356 2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 51 94.019 -34.368 -0.500 1.00 0.00 H new ATOM 0 HD22 ASN A 51 94.300 -32.639 -0.273 1.00 0.00 H new ATOM 838 N GLY A 52 91.543 -29.996 3.622 1.00 0.00 N ATOM 839 CA GLY A 52 91.500 -29.070 4.787 1.00 0.00 C ATOM 840 C GLY A 52 92.880 -28.443 5.000 1.00 0.00 C ATOM 841 O GLY A 52 93.280 -28.168 6.113 1.00 0.00 O ATOM 0 H GLY A 52 91.405 -29.555 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 52 90.758 -28.290 4.616 1.00 0.00 H new ATOM 0 HA3 GLY A 52 91.194 -29.611 5.682 1.00 0.00 H new ATOM 845 N ASN A 53 93.611 -28.213 3.943 1.00 0.00 N ATOM 846 CA ASN A 53 94.961 -27.603 4.097 1.00 0.00 C ATOM 847 C ASN A 53 94.826 -26.087 4.144 1.00 0.00 C ATOM 848 O ASN A 53 95.790 -25.355 4.039 1.00 0.00 O ATOM 849 CB ASN A 53 95.850 -28.009 2.921 1.00 0.00 C ATOM 850 CG ASN A 53 97.316 -27.997 3.358 1.00 0.00 C ATOM 851 OD1 ASN A 53 97.754 -28.867 4.082 1.00 0.00 O ATOM 852 ND2 ASN A 53 98.098 -27.036 2.946 1.00 0.00 N ATOM 0 H ASN A 53 93.333 -28.420 2.984 1.00 0.00 H new ATOM 0 HA ASN A 53 95.416 -27.956 5.023 1.00 0.00 H new ATOM 0 HB2 ASN A 53 95.573 -29.003 2.569 1.00 0.00 H new ATOM 0 HB3 ASN A 53 95.703 -27.323 2.087 1.00 0.00 H new ATOM 0 HD21 ASN A 53 99.077 -27.017 3.233 1.00 0.00 H new ATOM 0 HD22 ASN A 53 97.730 -26.305 2.337 1.00 0.00 H new ATOM 859 N LEU A 54 93.629 -25.620 4.303 1.00 0.00 N ATOM 860 CA LEU A 54 93.385 -24.159 4.366 1.00 0.00 C ATOM 861 C LEU A 54 94.174 -23.463 3.259 1.00 0.00 C ATOM 862 O LEU A 54 95.353 -23.201 3.387 1.00 0.00 O ATOM 863 CB LEU A 54 93.811 -23.622 5.733 1.00 0.00 C ATOM 864 CG LEU A 54 92.624 -23.683 6.700 1.00 0.00 C ATOM 865 CD1 LEU A 54 93.066 -23.193 8.079 1.00 0.00 C ATOM 866 CD2 LEU A 54 91.485 -22.793 6.181 1.00 0.00 C ATOM 0 H LEU A 54 92.793 -26.197 4.394 1.00 0.00 H new ATOM 0 HA LEU A 54 92.322 -23.961 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 54 94.642 -24.210 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 54 94.164 -22.595 5.638 1.00 0.00 H new ATOM 0 HG LEU A 54 92.271 -24.712 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.222 -23.236 8.768 1.00 0.00 H new ATOM 0 HD12 LEU A 54 93.870 -23.828 8.450 1.00 0.00 H new ATOM 0 HD13 LEU A 54 93.421 -22.165 8.003 1.00 0.00 H new ATOM 0 HD21 LEU A 54 90.643 -22.840 6.872 1.00 0.00 H new ATOM 0 HD22 LEU A 54 91.834 -21.763 6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 54 91.168 -23.144 5.199 1.00 0.00 H new ATOM 878 N GLN A 55 93.524 -23.163 2.170 1.00 0.00 N ATOM 879 CA GLN A 55 94.227 -22.482 1.046 1.00 0.00 C ATOM 880 C GLN A 55 94.587 -21.060 1.471 1.00 0.00 C ATOM 881 O GLN A 55 93.966 -20.491 2.344 1.00 0.00 O ATOM 882 CB GLN A 55 93.305 -22.435 -0.176 1.00 0.00 C ATOM 883 CG GLN A 55 94.109 -22.029 -1.414 1.00 0.00 C ATOM 884 CD GLN A 55 94.930 -23.221 -1.906 1.00 0.00 C ATOM 885 OE1 GLN A 55 95.896 -23.610 -1.278 1.00 0.00 O ATOM 886 NE2 GLN A 55 94.586 -23.824 -3.011 1.00 0.00 N ATOM 0 H GLN A 55 92.536 -23.360 2.009 1.00 0.00 H new ATOM 0 HA GLN A 55 95.135 -23.029 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 55 92.844 -23.410 -0.334 1.00 0.00 H new ATOM 0 HB3 GLN A 55 92.496 -21.724 -0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 55 93.436 -21.688 -2.201 1.00 0.00 H new ATOM 0 HG3 GLN A 55 94.768 -21.195 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 55 93.776 -23.499 -3.539 1.00 0.00 H new ATOM 0 HE22 GLN A 55 95.127 -24.621 -3.347 1.00 0.00 H new ATOM 895 N TYR A 56 95.586 -20.478 0.863 1.00 0.00 N ATOM 896 CA TYR A 56 95.978 -19.093 1.241 1.00 0.00 C ATOM 897 C TYR A 56 96.293 -18.282 -0.017 1.00 0.00 C ATOM 898 O TYR A 56 97.248 -18.549 -0.719 1.00 0.00 O ATOM 899 CB TYR A 56 97.221 -19.139 2.132 1.00 0.00 C ATOM 900 CG TYR A 56 96.927 -19.944 3.376 1.00 0.00 C ATOM 901 CD1 TYR A 56 96.110 -19.407 4.379 1.00 0.00 C ATOM 902 CD2 TYR A 56 97.472 -21.224 3.527 1.00 0.00 C ATOM 903 CE1 TYR A 56 95.838 -20.152 5.532 1.00 0.00 C ATOM 904 CE2 TYR A 56 97.201 -21.968 4.681 1.00 0.00 C ATOM 905 CZ TYR A 56 96.384 -21.432 5.683 1.00 0.00 C ATOM 906 OH TYR A 56 96.118 -22.166 6.822 1.00 0.00 O ATOM 0 H TYR A 56 96.145 -20.902 0.123 1.00 0.00 H new ATOM 0 HA TYR A 56 95.155 -18.624 1.780 1.00 0.00 H new ATOM 0 HB2 TYR A 56 98.054 -19.584 1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 56 97.522 -18.128 2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 56 95.690 -18.419 4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 56 98.102 -21.638 2.753 1.00 0.00 H new ATOM 0 HE1 TYR A 56 95.207 -19.739 6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 56 97.622 -22.956 4.798 1.00 0.00 H new ATOM 0 HH TYR A 56 96.573 -23.032 6.767 1.00 0.00 H new ATOM 916 N ASP A 57 95.504 -17.280 -0.298 1.00 0.00 N ATOM 917 CA ASP A 57 95.758 -16.432 -1.496 1.00 0.00 C ATOM 918 C ASP A 57 96.118 -15.025 -1.015 1.00 0.00 C ATOM 919 O ASP A 57 95.758 -14.629 0.074 1.00 0.00 O ATOM 920 CB ASP A 57 94.497 -16.382 -2.371 1.00 0.00 C ATOM 921 CG ASP A 57 94.786 -17.025 -3.730 1.00 0.00 C ATOM 922 OD1 ASP A 57 95.572 -16.462 -4.476 1.00 0.00 O ATOM 923 OD2 ASP A 57 94.216 -18.069 -4.001 1.00 0.00 O ATOM 0 H ASP A 57 94.690 -17.012 0.255 1.00 0.00 H new ATOM 0 HA ASP A 57 96.574 -16.845 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 57 93.679 -16.906 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 57 94.178 -15.349 -2.507 1.00 0.00 H new ATOM 928 N LEU A 58 96.836 -14.270 -1.802 1.00 0.00 N ATOM 929 CA LEU A 58 97.221 -12.899 -1.355 1.00 0.00 C ATOM 930 C LEU A 58 96.780 -11.858 -2.388 1.00 0.00 C ATOM 931 O LEU A 58 96.715 -12.125 -3.571 1.00 0.00 O ATOM 932 CB LEU A 58 98.742 -12.824 -1.188 1.00 0.00 C ATOM 933 CG LEU A 58 99.261 -14.115 -0.547 1.00 0.00 C ATOM 934 CD1 LEU A 58 100.792 -14.114 -0.568 1.00 0.00 C ATOM 935 CD2 LEU A 58 98.770 -14.205 0.904 1.00 0.00 C ATOM 0 H LEU A 58 97.171 -14.539 -2.727 1.00 0.00 H new ATOM 0 HA LEU A 58 96.730 -12.690 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 58 99.216 -12.673 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.007 -11.968 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 58 98.888 -14.972 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 58 101.163 -15.032 -0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 58 101.142 -14.054 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 58 101.163 -13.255 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.141 -15.124 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.140 -13.348 1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 58 97.680 -14.207 0.920 1.00 0.00 H new ATOM 947 N HIS A 59 96.490 -10.668 -1.939 1.00 0.00 N ATOM 948 CA HIS A 59 96.064 -9.587 -2.872 1.00 0.00 C ATOM 949 C HIS A 59 96.608 -8.254 -2.356 1.00 0.00 C ATOM 950 O HIS A 59 96.467 -7.929 -1.196 1.00 0.00 O ATOM 951 CB HIS A 59 94.535 -9.529 -2.927 1.00 0.00 C ATOM 952 CG HIS A 59 93.980 -10.927 -2.913 1.00 0.00 C ATOM 953 ND1 HIS A 59 93.618 -11.591 -4.078 1.00 0.00 N ATOM 954 CD2 HIS A 59 93.716 -11.800 -1.886 1.00 0.00 C ATOM 955 CE1 HIS A 59 93.164 -12.809 -3.727 1.00 0.00 C ATOM 956 NE2 HIS A 59 93.203 -12.983 -2.404 1.00 0.00 N ATOM 0 H HIS A 59 96.530 -10.396 -0.957 1.00 0.00 H new ATOM 0 HA HIS A 59 96.449 -9.785 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 59 94.151 -8.965 -2.077 1.00 0.00 H new ATOM 0 HB3 HIS A 59 94.212 -9.007 -3.828 1.00 0.00 H new ATOM 0 HD2 HIS A 59 93.882 -11.598 -0.838 1.00 0.00 H new ATOM 0 HE1 HIS A 59 92.812 -13.552 -4.428 1.00 0.00 H new ATOM 0 HE2 HIS A 59 92.916 -13.811 -1.882 1.00 0.00 H new ATOM 964 N TYR A 60 97.243 -7.483 -3.197 1.00 0.00 N ATOM 965 CA TYR A 60 97.804 -6.180 -2.731 1.00 0.00 C ATOM 966 C TYR A 60 97.036 -5.020 -3.368 1.00 0.00 C ATOM 967 O TYR A 60 96.705 -5.044 -4.536 1.00 0.00 O ATOM 968 CB TYR A 60 99.282 -6.095 -3.126 1.00 0.00 C ATOM 969 CG TYR A 60 100.093 -5.588 -1.956 1.00 0.00 C ATOM 970 CD1 TYR A 60 99.761 -4.373 -1.346 1.00 0.00 C ATOM 971 CD2 TYR A 60 101.173 -6.338 -1.479 1.00 0.00 C ATOM 972 CE1 TYR A 60 100.511 -3.907 -0.261 1.00 0.00 C ATOM 973 CE2 TYR A 60 101.924 -5.871 -0.393 1.00 0.00 C ATOM 974 CZ TYR A 60 101.592 -4.657 0.217 1.00 0.00 C ATOM 975 OH TYR A 60 102.330 -4.198 1.288 1.00 0.00 O ATOM 0 H TYR A 60 97.398 -7.697 -4.182 1.00 0.00 H new ATOM 0 HA TYR A 60 97.708 -6.115 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 60 99.643 -7.076 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 60 99.402 -5.429 -3.980 1.00 0.00 H new ATOM 0 HD1 TYR A 60 98.926 -3.795 -1.713 1.00 0.00 H new ATOM 0 HD2 TYR A 60 101.428 -7.277 -1.948 1.00 0.00 H new ATOM 0 HE1 TYR A 60 100.256 -2.968 0.208 1.00 0.00 H new ATOM 0 HE2 TYR A 60 102.760 -6.449 -0.026 1.00 0.00 H new ATOM 0 HH TYR A 60 102.418 -4.911 1.955 1.00 0.00 H new ATOM 985 N TRP A 61 96.759 -3.996 -2.602 1.00 0.00 N ATOM 986 CA TRP A 61 96.022 -2.823 -3.154 1.00 0.00 C ATOM 987 C TRP A 61 96.969 -1.621 -3.210 1.00 0.00 C ATOM 988 O TRP A 61 97.539 -1.225 -2.210 1.00 0.00 O ATOM 989 CB TRP A 61 94.832 -2.494 -2.244 1.00 0.00 C ATOM 990 CG TRP A 61 93.561 -2.507 -3.034 1.00 0.00 C ATOM 991 CD1 TRP A 61 93.405 -1.983 -4.272 1.00 0.00 C ATOM 992 CD2 TRP A 61 92.268 -3.057 -2.656 1.00 0.00 C ATOM 993 NE1 TRP A 61 92.097 -2.183 -4.679 1.00 0.00 N ATOM 994 CE2 TRP A 61 91.357 -2.841 -3.717 1.00 0.00 C ATOM 995 CE3 TRP A 61 91.803 -3.719 -1.506 1.00 0.00 C ATOM 996 CZ2 TRP A 61 90.030 -3.265 -3.639 1.00 0.00 C ATOM 997 CZ3 TRP A 61 90.469 -4.148 -1.424 1.00 0.00 C ATOM 998 CH2 TRP A 61 89.584 -3.922 -2.489 1.00 0.00 C ATOM 0 H TRP A 61 97.012 -3.923 -1.617 1.00 0.00 H new ATOM 0 HA TRP A 61 95.658 -3.053 -4.155 1.00 0.00 H new ATOM 0 HB2 TRP A 61 94.773 -3.220 -1.433 1.00 0.00 H new ATOM 0 HB3 TRP A 61 94.974 -1.515 -1.786 1.00 0.00 H new ATOM 0 HD1 TRP A 61 94.174 -1.490 -4.848 1.00 0.00 H new ATOM 0 HE1 TRP A 61 91.725 -1.881 -5.580 1.00 0.00 H new ATOM 0 HE3 TRP A 61 92.476 -3.898 -0.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 89.353 -3.087 -4.461 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 90.122 -4.655 -0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 61 88.559 -4.255 -2.420 1.00 0.00 H new ATOM 1009 N LEU A 62 97.140 -1.039 -4.365 1.00 0.00 N ATOM 1010 CA LEU A 62 98.051 0.137 -4.481 1.00 0.00 C ATOM 1011 C LEU A 62 97.218 1.417 -4.593 1.00 0.00 C ATOM 1012 O LEU A 62 96.149 1.426 -5.168 1.00 0.00 O ATOM 1013 CB LEU A 62 98.921 -0.016 -5.731 1.00 0.00 C ATOM 1014 CG LEU A 62 99.618 -1.376 -5.705 1.00 0.00 C ATOM 1015 CD1 LEU A 62 100.552 -1.495 -6.909 1.00 0.00 C ATOM 1016 CD2 LEU A 62 100.432 -1.506 -4.415 1.00 0.00 C ATOM 0 H LEU A 62 96.689 -1.326 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 62 98.688 0.194 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 62 98.307 0.073 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 62 99.661 0.783 -5.772 1.00 0.00 H new ATOM 0 HG LEU A 62 98.870 -2.168 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 62 101.049 -2.465 -6.890 1.00 0.00 H new ATOM 0 HD12 LEU A 62 99.974 -1.401 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 62 101.300 -0.703 -6.869 1.00 0.00 H new ATOM 0 HD21 LEU A 62 100.930 -2.476 -4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 62 101.179 -0.714 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 62 99.767 -1.422 -3.555 1.00 0.00 H new ATOM 1028 N GLY A 63 97.703 2.498 -4.044 1.00 0.00 N ATOM 1029 CA GLY A 63 96.942 3.777 -4.117 1.00 0.00 C ATOM 1030 C GLY A 63 97.484 4.633 -5.262 1.00 0.00 C ATOM 1031 O GLY A 63 98.639 4.539 -5.628 1.00 0.00 O ATOM 0 H GLY A 63 98.593 2.550 -3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 63 95.883 3.573 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 63 97.028 4.317 -3.174 1.00 0.00 H new ATOM 1035 N ASN A 64 96.659 5.469 -5.830 1.00 0.00 N ATOM 1036 CA ASN A 64 97.124 6.335 -6.951 1.00 0.00 C ATOM 1037 C ASN A 64 97.883 7.537 -6.386 1.00 0.00 C ATOM 1038 O ASN A 64 98.546 8.258 -7.105 1.00 0.00 O ATOM 1039 CB ASN A 64 95.916 6.821 -7.757 1.00 0.00 C ATOM 1040 CG ASN A 64 96.341 7.087 -9.204 1.00 0.00 C ATOM 1041 OD1 ASN A 64 96.566 8.217 -9.584 1.00 0.00 O ATOM 1042 ND2 ASN A 64 96.460 6.084 -10.030 1.00 0.00 N ATOM 0 H ASN A 64 95.681 5.590 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 64 97.786 5.763 -7.602 1.00 0.00 H new ATOM 0 HB2 ASN A 64 95.123 6.073 -7.731 1.00 0.00 H new ATOM 0 HB3 ASN A 64 95.511 7.730 -7.313 1.00 0.00 H new ATOM 0 HD21 ASN A 64 96.742 6.250 -10.996 1.00 0.00 H new ATOM 0 HD22 ASN A 64 96.271 5.134 -9.710 1.00 0.00 H new ATOM 1049 N GLU A 65 97.799 7.750 -5.104 1.00 0.00 N ATOM 1050 CA GLU A 65 98.520 8.893 -4.485 1.00 0.00 C ATOM 1051 C GLU A 65 99.689 8.331 -3.683 1.00 0.00 C ATOM 1052 O GLU A 65 100.087 8.871 -2.672 1.00 0.00 O ATOM 1053 CB GLU A 65 97.573 9.663 -3.561 1.00 0.00 C ATOM 1054 CG GLU A 65 96.125 9.369 -3.954 1.00 0.00 C ATOM 1055 CD GLU A 65 95.192 10.358 -3.253 1.00 0.00 C ATOM 1056 OE1 GLU A 65 95.119 10.312 -2.037 1.00 0.00 O ATOM 1057 OE2 GLU A 65 94.568 11.145 -3.945 1.00 0.00 O ATOM 0 H GLU A 65 97.259 7.178 -4.455 1.00 0.00 H new ATOM 0 HA GLU A 65 98.883 9.576 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 65 97.745 9.374 -2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 65 97.770 10.733 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 65 96.008 9.447 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 65 95.863 8.348 -3.678 1.00 0.00 H new ATOM 1064 N CYS A 66 100.234 7.242 -4.140 1.00 0.00 N ATOM 1065 CA CYS A 66 101.369 6.617 -3.439 1.00 0.00 C ATOM 1066 C CYS A 66 102.467 6.334 -4.453 1.00 0.00 C ATOM 1067 O CYS A 66 102.452 5.346 -5.161 1.00 0.00 O ATOM 1068 CB CYS A 66 100.913 5.313 -2.806 1.00 0.00 C ATOM 1069 SG CYS A 66 100.283 5.634 -1.139 1.00 0.00 S ATOM 0 H CYS A 66 99.931 6.756 -4.984 1.00 0.00 H new ATOM 0 HA CYS A 66 101.743 7.282 -2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 66 100.136 4.853 -3.417 1.00 0.00 H new ATOM 0 HB3 CYS A 66 101.743 4.608 -2.762 1.00 0.00 H new ATOM 0 HG CYS A 66 101.212 6.197 -0.425 1.00 0.00 H new ATOM 1075 N SER A 67 103.403 7.207 -4.518 1.00 0.00 N ATOM 1076 CA SER A 67 104.536 7.049 -5.477 1.00 0.00 C ATOM 1077 C SER A 67 105.062 5.613 -5.425 1.00 0.00 C ATOM 1078 O SER A 67 104.622 4.805 -4.630 1.00 0.00 O ATOM 1079 CB SER A 67 105.659 8.016 -5.101 1.00 0.00 C ATOM 1080 OG SER A 67 105.276 9.340 -5.455 1.00 0.00 O ATOM 0 H SER A 67 103.446 8.047 -3.941 1.00 0.00 H new ATOM 0 HA SER A 67 104.187 7.268 -6.486 1.00 0.00 H new ATOM 0 HB2 SER A 67 105.863 7.957 -4.032 1.00 0.00 H new ATOM 0 HB3 SER A 67 106.579 7.741 -5.616 1.00 0.00 H new ATOM 0 HG SER A 67 105.993 9.963 -5.214 1.00 0.00 H new ATOM 1086 N GLN A 68 106.004 5.290 -6.268 1.00 0.00 N ATOM 1087 CA GLN A 68 106.564 3.908 -6.273 1.00 0.00 C ATOM 1088 C GLN A 68 107.276 3.638 -4.948 1.00 0.00 C ATOM 1089 O GLN A 68 107.532 2.505 -4.593 1.00 0.00 O ATOM 1090 CB GLN A 68 107.560 3.768 -7.427 1.00 0.00 C ATOM 1091 CG GLN A 68 108.292 2.429 -7.309 1.00 0.00 C ATOM 1092 CD GLN A 68 109.112 2.181 -8.577 1.00 0.00 C ATOM 1093 OE1 GLN A 68 108.584 2.215 -9.671 1.00 0.00 O ATOM 1094 NE2 GLN A 68 110.388 1.932 -8.475 1.00 0.00 N ATOM 0 H GLN A 68 106.411 5.924 -6.955 1.00 0.00 H new ATOM 0 HA GLN A 68 105.755 3.189 -6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 68 107.037 3.826 -8.382 1.00 0.00 H new ATOM 0 HB3 GLN A 68 108.276 4.589 -7.405 1.00 0.00 H new ATOM 0 HG2 GLN A 68 108.945 2.435 -6.436 1.00 0.00 H new ATOM 0 HG3 GLN A 68 107.574 1.622 -7.164 1.00 0.00 H new ATOM 0 HE21 GLN A 68 110.830 1.904 -7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 68 110.944 1.766 -9.314 1.00 0.00 H new ATOM 1103 N ASP A 69 107.602 4.666 -4.215 1.00 0.00 N ATOM 1104 CA ASP A 69 108.299 4.455 -2.914 1.00 0.00 C ATOM 1105 C ASP A 69 107.386 3.674 -1.972 1.00 0.00 C ATOM 1106 O ASP A 69 107.725 2.605 -1.506 1.00 0.00 O ATOM 1107 CB ASP A 69 108.641 5.811 -2.291 1.00 0.00 C ATOM 1108 CG ASP A 69 109.271 6.716 -3.350 1.00 0.00 C ATOM 1109 OD1 ASP A 69 110.316 6.353 -3.865 1.00 0.00 O ATOM 1110 OD2 ASP A 69 108.699 7.757 -3.628 1.00 0.00 O ATOM 0 H ASP A 69 107.417 5.639 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 69 109.218 3.892 -3.079 1.00 0.00 H new ATOM 0 HB2 ASP A 69 107.741 6.276 -1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 69 109.329 5.676 -1.457 1.00 0.00 H new ATOM 1115 N GLU A 70 106.229 4.198 -1.692 1.00 0.00 N ATOM 1116 CA GLU A 70 105.289 3.484 -0.785 1.00 0.00 C ATOM 1117 C GLU A 70 104.855 2.177 -1.446 1.00 0.00 C ATOM 1118 O GLU A 70 104.817 1.133 -0.824 1.00 0.00 O ATOM 1119 CB GLU A 70 104.064 4.363 -0.522 1.00 0.00 C ATOM 1120 CG GLU A 70 104.426 5.464 0.480 1.00 0.00 C ATOM 1121 CD GLU A 70 103.692 6.756 0.114 1.00 0.00 C ATOM 1122 OE1 GLU A 70 104.289 7.811 0.247 1.00 0.00 O ATOM 1123 OE2 GLU A 70 102.545 6.667 -0.291 1.00 0.00 O ATOM 0 H GLU A 70 105.892 5.091 -2.052 1.00 0.00 H new ATOM 0 HA GLU A 70 105.782 3.268 0.163 1.00 0.00 H new ATOM 0 HB2 GLU A 70 103.715 4.807 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 70 103.246 3.757 -0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 70 104.155 5.154 1.489 1.00 0.00 H new ATOM 0 HG3 GLU A 70 105.503 5.633 0.476 1.00 0.00 H new ATOM 1130 N SER A 71 104.535 2.228 -2.707 1.00 0.00 N ATOM 1131 CA SER A 71 104.113 0.992 -3.419 1.00 0.00 C ATOM 1132 C SER A 71 105.303 0.034 -3.503 1.00 0.00 C ATOM 1133 O SER A 71 105.143 -1.169 -3.575 1.00 0.00 O ATOM 1134 CB SER A 71 103.642 1.347 -4.830 1.00 0.00 C ATOM 1135 OG SER A 71 103.016 2.623 -4.807 1.00 0.00 O ATOM 0 H SER A 71 104.547 3.074 -3.277 1.00 0.00 H new ATOM 0 HA SER A 71 103.295 0.518 -2.877 1.00 0.00 H new ATOM 0 HB2 SER A 71 104.488 1.356 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 71 102.944 0.593 -5.194 1.00 0.00 H new ATOM 0 HG SER A 71 103.696 3.323 -4.901 1.00 0.00 H new ATOM 1141 N GLY A 72 106.498 0.560 -3.488 1.00 0.00 N ATOM 1142 CA GLY A 72 107.700 -0.317 -3.560 1.00 0.00 C ATOM 1143 C GLY A 72 107.836 -1.092 -2.249 1.00 0.00 C ATOM 1144 O GLY A 72 108.022 -2.292 -2.243 1.00 0.00 O ATOM 0 H GLY A 72 106.693 1.559 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 72 107.611 -1.009 -4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 72 108.593 0.283 -3.736 1.00 0.00 H new ATOM 1148 N ALA A 73 107.737 -0.415 -1.138 1.00 0.00 N ATOM 1149 CA ALA A 73 107.855 -1.116 0.171 1.00 0.00 C ATOM 1150 C ALA A 73 106.738 -2.151 0.286 1.00 0.00 C ATOM 1151 O ALA A 73 106.919 -3.217 0.840 1.00 0.00 O ATOM 1152 CB ALA A 73 107.730 -0.100 1.309 1.00 0.00 C ATOM 0 H ALA A 73 107.580 0.591 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 73 108.824 -1.612 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 73 107.816 -0.614 2.266 1.00 0.00 H new ATOM 0 HB2 ALA A 73 108.523 0.642 1.223 1.00 0.00 H new ATOM 0 HB3 ALA A 73 106.761 0.396 1.249 1.00 0.00 H new ATOM 1158 N ALA A 74 105.585 -1.846 -0.241 1.00 0.00 N ATOM 1159 CA ALA A 74 104.455 -2.814 -0.170 1.00 0.00 C ATOM 1160 C ALA A 74 104.846 -4.099 -0.903 1.00 0.00 C ATOM 1161 O ALA A 74 104.743 -5.187 -0.369 1.00 0.00 O ATOM 1162 CB ALA A 74 103.218 -2.199 -0.830 1.00 0.00 C ATOM 0 H ALA A 74 105.376 -0.969 -0.718 1.00 0.00 H new ATOM 0 HA ALA A 74 104.231 -3.044 0.872 1.00 0.00 H new ATOM 0 HB1 ALA A 74 102.389 -2.905 -0.779 1.00 0.00 H new ATOM 0 HB2 ALA A 74 102.945 -1.282 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 74 103.437 -1.971 -1.873 1.00 0.00 H new ATOM 1168 N ALA A 75 105.297 -3.982 -2.121 1.00 0.00 N ATOM 1169 CA ALA A 75 105.697 -5.197 -2.886 1.00 0.00 C ATOM 1170 C ALA A 75 106.693 -6.009 -2.057 1.00 0.00 C ATOM 1171 O ALA A 75 106.567 -7.210 -1.921 1.00 0.00 O ATOM 1172 CB ALA A 75 106.352 -4.776 -4.204 1.00 0.00 C ATOM 0 H ALA A 75 105.406 -3.099 -2.620 1.00 0.00 H new ATOM 0 HA ALA A 75 104.817 -5.804 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA A 75 106.645 -5.664 -4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 75 105.644 -4.193 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 75 107.234 -4.171 -3.995 1.00 0.00 H new ATOM 1178 N ILE A 76 107.680 -5.364 -1.499 1.00 0.00 N ATOM 1179 CA ILE A 76 108.681 -6.100 -0.677 1.00 0.00 C ATOM 1180 C ILE A 76 107.952 -6.942 0.372 1.00 0.00 C ATOM 1181 O ILE A 76 108.233 -8.111 0.547 1.00 0.00 O ATOM 1182 CB ILE A 76 109.605 -5.099 0.020 1.00 0.00 C ATOM 1183 CG1 ILE A 76 110.600 -4.534 -1.000 1.00 0.00 C ATOM 1184 CG2 ILE A 76 110.372 -5.802 1.141 1.00 0.00 C ATOM 1185 CD1 ILE A 76 111.350 -3.353 -0.381 1.00 0.00 C ATOM 0 H ILE A 76 107.837 -4.359 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 76 109.274 -6.751 -1.319 1.00 0.00 H new ATOM 0 HB ILE A 76 109.010 -4.289 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 76 111.305 -5.308 -1.303 1.00 0.00 H new ATOM 0 HG13 ILE A 76 110.073 -4.213 -1.899 1.00 0.00 H new ATOM 0 HG21 ILE A 76 111.029 -5.087 1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 76 109.666 -6.208 1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 76 110.968 -6.613 0.721 1.00 0.00 H new ATOM 0 HD11 ILE A 76 112.058 -2.951 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 76 110.638 -2.577 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE A 76 111.889 -3.688 0.505 1.00 0.00 H new ATOM 1197 N PHE A 77 107.015 -6.359 1.069 1.00 0.00 N ATOM 1198 CA PHE A 77 106.267 -7.129 2.102 1.00 0.00 C ATOM 1199 C PHE A 77 105.668 -8.383 1.463 1.00 0.00 C ATOM 1200 O PHE A 77 105.727 -9.464 2.016 1.00 0.00 O ATOM 1201 CB PHE A 77 105.145 -6.261 2.674 1.00 0.00 C ATOM 1202 CG PHE A 77 105.684 -5.419 3.807 1.00 0.00 C ATOM 1203 CD1 PHE A 77 105.840 -4.038 3.638 1.00 0.00 C ATOM 1204 CD2 PHE A 77 106.026 -6.019 5.025 1.00 0.00 C ATOM 1205 CE1 PHE A 77 106.340 -3.258 4.689 1.00 0.00 C ATOM 1206 CE2 PHE A 77 106.524 -5.240 6.074 1.00 0.00 C ATOM 1207 CZ PHE A 77 106.681 -3.858 5.907 1.00 0.00 C ATOM 0 H PHE A 77 106.736 -5.383 0.968 1.00 0.00 H new ATOM 0 HA PHE A 77 106.946 -7.417 2.905 1.00 0.00 H new ATOM 0 HB2 PHE A 77 104.734 -5.620 1.894 1.00 0.00 H new ATOM 0 HB3 PHE A 77 104.330 -6.891 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 77 105.575 -3.575 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 77 105.905 -7.084 5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 77 106.462 -2.193 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 77 106.788 -5.704 7.013 1.00 0.00 H new ATOM 0 HZ PHE A 77 107.065 -3.256 6.717 1.00 0.00 H new ATOM 1217 N THR A 78 105.092 -8.247 0.300 1.00 0.00 N ATOM 1218 CA THR A 78 104.491 -9.427 -0.379 1.00 0.00 C ATOM 1219 C THR A 78 105.537 -10.538 -0.494 1.00 0.00 C ATOM 1220 O THR A 78 105.298 -11.671 -0.128 1.00 0.00 O ATOM 1221 CB THR A 78 104.029 -9.018 -1.778 1.00 0.00 C ATOM 1222 OG1 THR A 78 103.614 -7.660 -1.759 1.00 0.00 O ATOM 1223 CG2 THR A 78 102.863 -9.906 -2.217 1.00 0.00 C ATOM 0 H THR A 78 105.012 -7.367 -0.209 1.00 0.00 H new ATOM 0 HA THR A 78 103.641 -9.789 0.199 1.00 0.00 H new ATOM 0 HB THR A 78 104.853 -9.137 -2.481 1.00 0.00 H new ATOM 0 HG1 THR A 78 102.838 -7.563 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 78 102.537 -9.611 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 78 103.185 -10.947 -2.233 1.00 0.00 H new ATOM 0 HG23 THR A 78 102.036 -9.793 -1.516 1.00 0.00 H new ATOM 1231 N VAL A 79 106.695 -10.219 -1.003 1.00 0.00 N ATOM 1232 CA VAL A 79 107.757 -11.252 -1.145 1.00 0.00 C ATOM 1233 C VAL A 79 108.127 -11.801 0.233 1.00 0.00 C ATOM 1234 O VAL A 79 108.426 -12.970 0.387 1.00 0.00 O ATOM 1235 CB VAL A 79 108.991 -10.622 -1.794 1.00 0.00 C ATOM 1236 CG1 VAL A 79 109.774 -11.694 -2.553 1.00 0.00 C ATOM 1237 CG2 VAL A 79 108.547 -9.529 -2.769 1.00 0.00 C ATOM 0 H VAL A 79 106.951 -9.286 -1.327 1.00 0.00 H new ATOM 0 HA VAL A 79 107.391 -12.067 -1.770 1.00 0.00 H new ATOM 0 HB VAL A 79 109.627 -10.188 -1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 79 110.653 -11.244 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 79 110.088 -12.475 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 79 109.140 -12.129 -3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 79 109.424 -9.078 -3.233 1.00 0.00 H new ATOM 0 HG22 VAL A 79 107.912 -9.965 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A 79 107.989 -8.764 -2.229 1.00 0.00 H new ATOM 1247 N GLN A 80 108.109 -10.970 1.236 1.00 0.00 N ATOM 1248 CA GLN A 80 108.459 -11.445 2.603 1.00 0.00 C ATOM 1249 C GLN A 80 107.420 -12.469 3.064 1.00 0.00 C ATOM 1250 O GLN A 80 107.740 -13.602 3.364 1.00 0.00 O ATOM 1251 CB GLN A 80 108.471 -10.259 3.569 1.00 0.00 C ATOM 1252 CG GLN A 80 109.774 -9.476 3.399 1.00 0.00 C ATOM 1253 CD GLN A 80 110.896 -10.174 4.170 1.00 0.00 C ATOM 1254 OE1 GLN A 80 110.901 -11.383 4.293 1.00 0.00 O ATOM 1255 NE2 GLN A 80 111.851 -9.460 4.698 1.00 0.00 N ATOM 0 H GLN A 80 107.867 -9.981 1.169 1.00 0.00 H new ATOM 0 HA GLN A 80 109.446 -11.908 2.587 1.00 0.00 H new ATOM 0 HB2 GLN A 80 107.617 -9.610 3.376 1.00 0.00 H new ATOM 0 HB3 GLN A 80 108.378 -10.612 4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 80 110.033 -9.407 2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 80 109.648 -8.457 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 80 111.846 -8.445 4.594 1.00 0.00 H new ATOM 0 HE22 GLN A 80 112.603 -9.916 5.215 1.00 0.00 H new ATOM 1264 N LEU A 81 106.175 -12.080 3.118 1.00 0.00 N ATOM 1265 CA LEU A 81 105.119 -13.035 3.556 1.00 0.00 C ATOM 1266 C LEU A 81 105.206 -14.299 2.697 1.00 0.00 C ATOM 1267 O LEU A 81 104.951 -15.394 3.159 1.00 0.00 O ATOM 1268 CB LEU A 81 103.740 -12.363 3.413 1.00 0.00 C ATOM 1269 CG LEU A 81 102.883 -13.078 2.361 1.00 0.00 C ATOM 1270 CD1 LEU A 81 102.482 -14.470 2.870 1.00 0.00 C ATOM 1271 CD2 LEU A 81 101.623 -12.249 2.096 1.00 0.00 C ATOM 0 H LEU A 81 105.845 -11.145 2.878 1.00 0.00 H new ATOM 0 HA LEU A 81 105.261 -13.312 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 81 103.226 -12.374 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 81 103.869 -11.318 3.132 1.00 0.00 H new ATOM 0 HG LEU A 81 103.456 -13.188 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 81 101.874 -14.971 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 81 103.379 -15.059 3.063 1.00 0.00 H new ATOM 0 HD13 LEU A 81 101.909 -14.369 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 81 101.008 -12.751 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 81 101.056 -12.143 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 101.907 -11.263 1.729 1.00 0.00 H new ATOM 1283 N ASP A 82 105.575 -14.159 1.454 1.00 0.00 N ATOM 1284 CA ASP A 82 105.687 -15.356 0.575 1.00 0.00 C ATOM 1285 C ASP A 82 106.815 -16.245 1.092 1.00 0.00 C ATOM 1286 O ASP A 82 106.618 -17.411 1.372 1.00 0.00 O ATOM 1287 CB ASP A 82 105.995 -14.915 -0.858 1.00 0.00 C ATOM 1288 CG ASP A 82 104.703 -14.458 -1.539 1.00 0.00 C ATOM 1289 OD1 ASP A 82 104.124 -13.487 -1.078 1.00 0.00 O ATOM 1290 OD2 ASP A 82 104.313 -15.087 -2.509 1.00 0.00 O ATOM 0 H ASP A 82 105.803 -13.270 1.010 1.00 0.00 H new ATOM 0 HA ASP A 82 104.748 -15.909 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 82 106.722 -14.103 -0.852 1.00 0.00 H new ATOM 0 HB3 ASP A 82 106.441 -15.739 -1.416 1.00 0.00 H new ATOM 1295 N ASP A 83 107.995 -15.707 1.235 1.00 0.00 N ATOM 1296 CA ASP A 83 109.121 -16.534 1.749 1.00 0.00 C ATOM 1297 C ASP A 83 108.625 -17.322 2.958 1.00 0.00 C ATOM 1298 O ASP A 83 108.975 -18.468 3.153 1.00 0.00 O ATOM 1299 CB ASP A 83 110.281 -15.626 2.165 1.00 0.00 C ATOM 1300 CG ASP A 83 111.568 -16.448 2.247 1.00 0.00 C ATOM 1301 OD1 ASP A 83 112.288 -16.483 1.263 1.00 0.00 O ATOM 1302 OD2 ASP A 83 111.811 -17.029 3.292 1.00 0.00 O ATOM 0 H ASP A 83 108.227 -14.737 1.020 1.00 0.00 H new ATOM 0 HA ASP A 83 109.470 -17.216 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 83 110.399 -14.816 1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 83 110.069 -15.166 3.130 1.00 0.00 H new ATOM 1307 N TYR A 84 107.793 -16.718 3.761 1.00 0.00 N ATOM 1308 CA TYR A 84 107.254 -17.434 4.945 1.00 0.00 C ATOM 1309 C TYR A 84 106.321 -18.542 4.457 1.00 0.00 C ATOM 1310 O TYR A 84 106.225 -19.597 5.054 1.00 0.00 O ATOM 1311 CB TYR A 84 106.479 -16.456 5.830 1.00 0.00 C ATOM 1312 CG TYR A 84 105.626 -17.226 6.811 1.00 0.00 C ATOM 1313 CD1 TYR A 84 104.232 -17.109 6.769 1.00 0.00 C ATOM 1314 CD2 TYR A 84 106.230 -18.060 7.760 1.00 0.00 C ATOM 1315 CE1 TYR A 84 103.441 -17.822 7.677 1.00 0.00 C ATOM 1316 CE2 TYR A 84 105.439 -18.775 8.668 1.00 0.00 C ATOM 1317 CZ TYR A 84 104.044 -18.656 8.626 1.00 0.00 C ATOM 1318 OH TYR A 84 103.265 -19.360 9.521 1.00 0.00 O ATOM 0 H TYR A 84 107.465 -15.759 3.646 1.00 0.00 H new ATOM 0 HA TYR A 84 108.070 -17.863 5.527 1.00 0.00 H new ATOM 0 HB2 TYR A 84 107.172 -15.808 6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 84 105.851 -15.812 5.214 1.00 0.00 H new ATOM 0 HD1 TYR A 84 103.766 -16.468 6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 84 107.306 -18.152 7.792 1.00 0.00 H new ATOM 0 HE1 TYR A 84 102.365 -17.729 7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 84 105.904 -19.418 9.400 1.00 0.00 H new ATOM 0 HH TYR A 84 103.841 -19.891 10.109 1.00 0.00 H new ATOM 1328 N LEU A 85 105.637 -18.309 3.368 1.00 0.00 N ATOM 1329 CA LEU A 85 104.716 -19.345 2.830 1.00 0.00 C ATOM 1330 C LEU A 85 105.342 -19.981 1.589 1.00 0.00 C ATOM 1331 O LEU A 85 104.657 -20.451 0.704 1.00 0.00 O ATOM 1332 CB LEU A 85 103.377 -18.701 2.459 1.00 0.00 C ATOM 1333 CG LEU A 85 102.282 -19.771 2.442 1.00 0.00 C ATOM 1334 CD1 LEU A 85 101.718 -19.947 3.854 1.00 0.00 C ATOM 1335 CD2 LEU A 85 101.160 -19.335 1.498 1.00 0.00 C ATOM 0 H LEU A 85 105.678 -17.444 2.829 1.00 0.00 H new ATOM 0 HA LEU A 85 104.547 -20.111 3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 85 103.126 -17.920 3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 85 103.449 -18.224 1.482 1.00 0.00 H new ATOM 0 HG LEU A 85 102.703 -20.716 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 85 100.938 -20.709 3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 85 102.516 -20.255 4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 85 101.297 -19.002 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 85 100.380 -20.096 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 85 100.740 -18.390 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 85 101.560 -19.208 0.492 1.00 0.00 H new ATOM 1347 N ASN A 86 106.644 -19.999 1.524 1.00 0.00 N ATOM 1348 CA ASN A 86 107.326 -20.604 0.345 1.00 0.00 C ATOM 1349 C ASN A 86 106.603 -20.180 -0.934 1.00 0.00 C ATOM 1350 O ASN A 86 106.486 -20.939 -1.876 1.00 0.00 O ATOM 1351 CB ASN A 86 107.298 -22.128 0.472 1.00 0.00 C ATOM 1352 CG ASN A 86 108.524 -22.599 1.257 1.00 0.00 C ATOM 1353 OD1 ASN A 86 109.635 -22.204 0.966 1.00 0.00 O ATOM 1354 ND2 ASN A 86 108.367 -23.432 2.250 1.00 0.00 N ATOM 0 H ASN A 86 107.267 -19.620 2.238 1.00 0.00 H new ATOM 0 HA ASN A 86 108.360 -20.263 0.304 1.00 0.00 H new ATOM 0 HB2 ASN A 86 106.386 -22.444 0.978 1.00 0.00 H new ATOM 0 HB3 ASN A 86 107.289 -22.586 -0.517 1.00 0.00 H new ATOM 0 HD21 ASN A 86 109.177 -23.751 2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 86 107.434 -23.764 2.495 1.00 0.00 H new ATOM 1361 N GLY A 87 106.115 -18.971 -0.978 1.00 0.00 N ATOM 1362 CA GLY A 87 105.401 -18.498 -2.197 1.00 0.00 C ATOM 1363 C GLY A 87 104.411 -19.569 -2.655 1.00 0.00 C ATOM 1364 O GLY A 87 104.189 -19.760 -3.836 1.00 0.00 O ATOM 0 H GLY A 87 106.180 -18.290 -0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 87 104.874 -17.568 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 87 106.117 -18.285 -2.991 1.00 0.00 H new ATOM 1368 N ARG A 88 103.812 -20.273 -1.733 1.00 0.00 N ATOM 1369 CA ARG A 88 102.836 -21.329 -2.116 1.00 0.00 C ATOM 1370 C ARG A 88 101.456 -20.697 -2.284 1.00 0.00 C ATOM 1371 O ARG A 88 100.441 -21.327 -2.062 1.00 0.00 O ATOM 1372 CB ARG A 88 102.783 -22.399 -1.024 1.00 0.00 C ATOM 1373 CG ARG A 88 103.969 -23.357 -1.178 1.00 0.00 C ATOM 1374 CD ARG A 88 103.765 -24.258 -2.403 1.00 0.00 C ATOM 1375 NE ARG A 88 102.316 -24.564 -2.568 1.00 0.00 N ATOM 1376 CZ ARG A 88 101.757 -25.491 -1.836 1.00 0.00 C ATOM 1377 NH1 ARG A 88 100.489 -25.759 -1.980 1.00 0.00 N ATOM 1378 NH2 ARG A 88 102.469 -26.148 -0.962 1.00 0.00 N ATOM 0 H ARG A 88 103.958 -20.161 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 88 103.144 -21.791 -3.054 1.00 0.00 H new ATOM 0 HB2 ARG A 88 102.808 -21.930 -0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 88 101.846 -22.952 -1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 88 104.893 -22.789 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 88 104.072 -23.968 -0.281 1.00 0.00 H new ATOM 0 HD2 ARG A 88 104.146 -23.764 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 88 104.330 -25.182 -2.284 1.00 0.00 H new ATOM 0 HE ARG A 88 101.761 -24.050 -3.252 1.00 0.00 H new ATOM 0 HH11 ARG A 88 99.934 -25.245 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 88 100.053 -26.483 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 88 103.461 -25.938 -0.851 1.00 0.00 H new ATOM 0 HH22 ARG A 88 102.034 -26.872 -0.390 1.00 0.00 H new ATOM 1392 N ALA A 89 101.416 -19.456 -2.673 1.00 0.00 N ATOM 1393 CA ALA A 89 100.105 -18.771 -2.859 1.00 0.00 C ATOM 1394 C ALA A 89 100.197 -17.813 -4.049 1.00 0.00 C ATOM 1395 O ALA A 89 101.267 -17.515 -4.537 1.00 0.00 O ATOM 1396 CB ALA A 89 99.758 -17.984 -1.594 1.00 0.00 C ATOM 0 H ALA A 89 102.236 -18.883 -2.871 1.00 0.00 H new ATOM 0 HA ALA A 89 99.329 -19.513 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 89 98.800 -17.483 -1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.694 -18.667 -0.747 1.00 0.00 H new ATOM 0 HB3 ALA A 89 100.533 -17.241 -1.404 1.00 0.00 H new ATOM 1402 N VAL A 90 99.079 -17.327 -4.519 1.00 0.00 N ATOM 1403 CA VAL A 90 99.104 -16.388 -5.676 1.00 0.00 C ATOM 1404 C VAL A 90 98.949 -14.952 -5.170 1.00 0.00 C ATOM 1405 O VAL A 90 98.383 -14.711 -4.123 1.00 0.00 O ATOM 1406 CB VAL A 90 97.951 -16.721 -6.625 1.00 0.00 C ATOM 1407 CG1 VAL A 90 98.255 -16.158 -8.014 1.00 0.00 C ATOM 1408 CG2 VAL A 90 97.790 -18.239 -6.717 1.00 0.00 C ATOM 0 H VAL A 90 98.151 -17.540 -4.152 1.00 0.00 H new ATOM 0 HA VAL A 90 100.052 -16.487 -6.205 1.00 0.00 H new ATOM 0 HB VAL A 90 97.030 -16.279 -6.246 1.00 0.00 H new ATOM 0 HG11 VAL A 90 97.434 -16.395 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 90 98.372 -15.076 -7.950 1.00 0.00 H new ATOM 0 HG13 VAL A 90 99.176 -16.601 -8.393 1.00 0.00 H new ATOM 0 HG21 VAL A 90 96.969 -18.477 -7.393 1.00 0.00 H new ATOM 0 HG22 VAL A 90 98.712 -18.680 -7.096 1.00 0.00 H new ATOM 0 HG23 VAL A 90 97.575 -18.643 -5.728 1.00 0.00 H new ATOM 1418 N GLN A 91 99.450 -13.997 -5.906 1.00 0.00 N ATOM 1419 CA GLN A 91 99.335 -12.576 -5.471 1.00 0.00 C ATOM 1420 C GLN A 91 98.510 -11.795 -6.498 1.00 0.00 C ATOM 1421 O GLN A 91 98.761 -11.856 -7.685 1.00 0.00 O ATOM 1422 CB GLN A 91 100.731 -11.960 -5.367 1.00 0.00 C ATOM 1423 CG GLN A 91 101.320 -11.786 -6.767 1.00 0.00 C ATOM 1424 CD GLN A 91 102.819 -11.502 -6.659 1.00 0.00 C ATOM 1425 OE1 GLN A 91 103.362 -11.440 -5.574 1.00 0.00 O ATOM 1426 NE2 GLN A 91 103.518 -11.325 -7.749 1.00 0.00 N ATOM 0 H GLN A 91 99.935 -14.140 -6.792 1.00 0.00 H new ATOM 0 HA GLN A 91 98.844 -12.532 -4.499 1.00 0.00 H new ATOM 0 HB2 GLN A 91 100.677 -10.996 -4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 91 101.378 -12.599 -4.766 1.00 0.00 H new ATOM 0 HG2 GLN A 91 101.151 -12.686 -7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 91 100.820 -10.967 -7.284 1.00 0.00 H new ATOM 0 HE21 GLN A 91 103.063 -11.377 -8.661 1.00 0.00 H new ATOM 0 HE22 GLN A 91 104.518 -11.135 -7.688 1.00 0.00 H new ATOM 1435 N HIS A 92 97.528 -11.061 -6.049 1.00 0.00 N ATOM 1436 CA HIS A 92 96.688 -10.276 -6.998 1.00 0.00 C ATOM 1437 C HIS A 92 97.056 -8.794 -6.901 1.00 0.00 C ATOM 1438 O HIS A 92 96.694 -8.116 -5.960 1.00 0.00 O ATOM 1439 CB HIS A 92 95.211 -10.456 -6.641 1.00 0.00 C ATOM 1440 CG HIS A 92 94.812 -11.890 -6.853 1.00 0.00 C ATOM 1441 ND1 HIS A 92 95.332 -13.069 -6.377 1.00 0.00 N flip ATOM 1442 CD2 HIS A 92 93.732 -12.246 -7.652 1.00 0.00 C flip ATOM 1443 CE1 HIS A 92 94.589 -14.135 -6.871 1.00 0.00 C flip ATOM 1444 NE2 HIS A 92 93.639 -13.589 -7.631 1.00 0.00 N flip ATOM 0 H HIS A 92 97.271 -10.971 -5.066 1.00 0.00 H new ATOM 0 HA HIS A 92 96.864 -10.629 -8.014 1.00 0.00 H new ATOM 0 HB2 HIS A 92 95.040 -10.170 -5.603 1.00 0.00 H new ATOM 0 HB3 HIS A 92 94.595 -9.802 -7.258 1.00 0.00 H new ATOM 0 HD2 HIS A 92 93.086 -11.569 -8.191 1.00 0.00 H new ATOM 0 HE1 HIS A 92 94.748 -15.186 -6.679 1.00 0.00 H new ATOM 0 HE2 HIS A 92 92.930 -14.123 -8.134 1.00 0.00 H new ATOM 1452 N ARG A 93 97.769 -8.284 -7.869 1.00 0.00 N ATOM 1453 CA ARG A 93 98.153 -6.846 -7.831 1.00 0.00 C ATOM 1454 C ARG A 93 96.968 -5.995 -8.297 1.00 0.00 C ATOM 1455 O ARG A 93 96.735 -5.833 -9.477 1.00 0.00 O ATOM 1456 CB ARG A 93 99.351 -6.611 -8.755 1.00 0.00 C ATOM 1457 CG ARG A 93 99.374 -7.681 -9.848 1.00 0.00 C ATOM 1458 CD ARG A 93 100.454 -7.341 -10.874 1.00 0.00 C ATOM 1459 NE ARG A 93 101.797 -7.452 -10.238 1.00 0.00 N ATOM 1460 CZ ARG A 93 102.306 -8.628 -9.988 1.00 0.00 C ATOM 1461 NH1 ARG A 93 103.482 -8.725 -9.431 1.00 0.00 N ATOM 1462 NH2 ARG A 93 101.640 -9.707 -10.298 1.00 0.00 N ATOM 0 H ARG A 93 98.101 -8.801 -8.683 1.00 0.00 H new ATOM 0 HA ARG A 93 98.425 -6.566 -6.813 1.00 0.00 H new ATOM 0 HB2 ARG A 93 99.288 -5.620 -9.204 1.00 0.00 H new ATOM 0 HB3 ARG A 93 100.277 -6.643 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 93 99.570 -8.659 -9.409 1.00 0.00 H new ATOM 0 HG3 ARG A 93 98.401 -7.739 -10.335 1.00 0.00 H new ATOM 0 HD2 ARG A 93 100.387 -8.017 -11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.303 -6.331 -11.256 1.00 0.00 H new ATOM 0 HE ARG A 93 102.319 -6.609 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 93 104.004 -7.882 -9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 93 103.880 -9.644 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 93 100.722 -9.631 -10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 93 102.038 -10.626 -10.103 1.00 0.00 H new ATOM 1476 N GLU A 94 96.216 -5.456 -7.376 1.00 0.00 N ATOM 1477 CA GLU A 94 95.044 -4.623 -7.766 1.00 0.00 C ATOM 1478 C GLU A 94 95.404 -3.140 -7.653 1.00 0.00 C ATOM 1479 O GLU A 94 96.198 -2.744 -6.824 1.00 0.00 O ATOM 1480 CB GLU A 94 93.869 -4.932 -6.836 1.00 0.00 C ATOM 1481 CG GLU A 94 93.535 -6.423 -6.912 1.00 0.00 C ATOM 1482 CD GLU A 94 92.767 -6.840 -5.656 1.00 0.00 C ATOM 1483 OE1 GLU A 94 91.904 -7.695 -5.770 1.00 0.00 O ATOM 1484 OE2 GLU A 94 93.056 -6.296 -4.602 1.00 0.00 O ATOM 0 H GLU A 94 96.363 -5.557 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 94 94.767 -4.850 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU A 94 94.120 -4.657 -5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 94 93.000 -4.339 -7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 94 92.938 -6.628 -7.801 1.00 0.00 H new ATOM 0 HG3 GLU A 94 94.451 -7.007 -7.002 1.00 0.00 H new ATOM 1491 N VAL A 95 94.821 -2.317 -8.482 1.00 0.00 N ATOM 1492 CA VAL A 95 95.119 -0.861 -8.427 1.00 0.00 C ATOM 1493 C VAL A 95 93.817 -0.073 -8.582 1.00 0.00 C ATOM 1494 O VAL A 95 92.798 -0.613 -8.969 1.00 0.00 O ATOM 1495 CB VAL A 95 96.080 -0.491 -9.557 1.00 0.00 C ATOM 1496 CG1 VAL A 95 96.655 0.904 -9.303 1.00 0.00 C ATOM 1497 CG2 VAL A 95 97.221 -1.509 -9.610 1.00 0.00 C ATOM 0 H VAL A 95 94.149 -2.594 -9.197 1.00 0.00 H new ATOM 0 HA VAL A 95 95.580 -0.619 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 95 95.543 -0.496 -10.505 1.00 0.00 H new ATOM 0 HG11 VAL A 95 97.340 1.167 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 95 95.843 1.631 -9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 95 97.192 0.909 -8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 95 97.906 -1.246 -10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 95 97.757 -1.504 -8.661 1.00 0.00 H new ATOM 0 HG23 VAL A 95 96.813 -2.503 -9.791 1.00 0.00 H new ATOM 1507 N GLN A 96 93.839 1.195 -8.285 1.00 0.00 N ATOM 1508 CA GLN A 96 92.598 2.011 -8.415 1.00 0.00 C ATOM 1509 C GLN A 96 92.114 1.976 -9.866 1.00 0.00 C ATOM 1510 O GLN A 96 92.787 2.434 -10.768 1.00 0.00 O ATOM 1511 CB GLN A 96 92.894 3.457 -8.008 1.00 0.00 C ATOM 1512 CG GLN A 96 91.588 4.261 -7.975 1.00 0.00 C ATOM 1513 CD GLN A 96 91.375 4.953 -9.323 1.00 0.00 C ATOM 1514 OE1 GLN A 96 91.827 4.474 -10.345 1.00 0.00 O ATOM 1515 NE2 GLN A 96 90.699 6.068 -9.371 1.00 0.00 N ATOM 0 H GLN A 96 94.661 1.703 -7.958 1.00 0.00 H new ATOM 0 HA GLN A 96 91.824 1.603 -7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.371 3.479 -7.028 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.593 3.908 -8.713 1.00 0.00 H new ATOM 0 HG2 GLN A 96 90.748 3.601 -7.757 1.00 0.00 H new ATOM 0 HG3 GLN A 96 91.626 5.002 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 96 90.319 6.471 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 96 90.550 6.536 -10.265 1.00 0.00 H new ATOM 1524 N GLY A 97 90.949 1.434 -10.098 1.00 0.00 N ATOM 1525 CA GLY A 97 90.420 1.369 -11.489 1.00 0.00 C ATOM 1526 C GLY A 97 91.025 0.166 -12.213 1.00 0.00 C ATOM 1527 O GLY A 97 90.916 0.034 -13.416 1.00 0.00 O ATOM 0 H GLY A 97 90.341 1.033 -9.384 1.00 0.00 H new ATOM 0 HA2 GLY A 97 89.333 1.287 -11.472 1.00 0.00 H new ATOM 0 HA3 GLY A 97 90.662 2.287 -12.024 1.00 0.00 H new ATOM 1531 N PHE A 98 91.664 -0.714 -11.491 1.00 0.00 N ATOM 1532 CA PHE A 98 92.274 -1.909 -12.143 1.00 0.00 C ATOM 1533 C PHE A 98 92.005 -3.152 -11.290 1.00 0.00 C ATOM 1534 O PHE A 98 92.689 -4.150 -11.398 1.00 0.00 O ATOM 1535 CB PHE A 98 93.786 -1.698 -12.279 1.00 0.00 C ATOM 1536 CG PHE A 98 94.278 -2.354 -13.547 1.00 0.00 C ATOM 1537 CD1 PHE A 98 94.032 -1.752 -14.787 1.00 0.00 C ATOM 1538 CD2 PHE A 98 94.979 -3.563 -13.485 1.00 0.00 C ATOM 1539 CE1 PHE A 98 94.487 -2.359 -15.964 1.00 0.00 C ATOM 1540 CE2 PHE A 98 95.435 -4.170 -14.661 1.00 0.00 C ATOM 1541 CZ PHE A 98 95.188 -3.569 -15.900 1.00 0.00 C ATOM 0 H PHE A 98 91.790 -0.658 -10.480 1.00 0.00 H new ATOM 0 HA PHE A 98 91.835 -2.048 -13.131 1.00 0.00 H new ATOM 0 HB2 PHE A 98 94.014 -0.632 -12.297 1.00 0.00 H new ATOM 0 HB3 PHE A 98 94.301 -2.120 -11.416 1.00 0.00 H new ATOM 0 HD1 PHE A 98 93.491 -0.819 -14.836 1.00 0.00 H new ATOM 0 HD2 PHE A 98 95.169 -4.028 -12.529 1.00 0.00 H new ATOM 0 HE1 PHE A 98 94.297 -1.894 -16.920 1.00 0.00 H new ATOM 0 HE2 PHE A 98 95.978 -5.102 -14.612 1.00 0.00 H new ATOM 0 HZ PHE A 98 95.538 -4.039 -16.807 1.00 0.00 H new ATOM 1551 N GLU A 99 91.013 -3.100 -10.444 1.00 0.00 N ATOM 1552 CA GLU A 99 90.702 -4.280 -9.588 1.00 0.00 C ATOM 1553 C GLU A 99 90.806 -5.557 -10.423 1.00 0.00 C ATOM 1554 O GLU A 99 90.677 -5.533 -11.631 1.00 0.00 O ATOM 1555 CB GLU A 99 89.283 -4.145 -9.032 1.00 0.00 C ATOM 1556 CG GLU A 99 88.973 -2.670 -8.769 1.00 0.00 C ATOM 1557 CD GLU A 99 90.137 -2.033 -8.008 1.00 0.00 C ATOM 1558 OE1 GLU A 99 90.650 -2.671 -7.104 1.00 0.00 O ATOM 1559 OE2 GLU A 99 90.496 -0.915 -8.342 1.00 0.00 O ATOM 0 H GLU A 99 90.405 -2.292 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 99 91.412 -4.329 -8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 99 88.564 -4.558 -9.739 1.00 0.00 H new ATOM 0 HB3 GLU A 99 89.187 -4.717 -8.109 1.00 0.00 H new ATOM 0 HG2 GLU A 99 88.811 -2.147 -9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 99 88.053 -2.578 -8.192 1.00 0.00 H new ATOM 1566 N SER A 100 91.038 -6.676 -9.790 1.00 0.00 N ATOM 1567 CA SER A 100 91.150 -7.953 -10.550 1.00 0.00 C ATOM 1568 C SER A 100 89.762 -8.577 -10.707 1.00 0.00 C ATOM 1569 O SER A 100 88.788 -8.095 -10.163 1.00 0.00 O ATOM 1570 CB SER A 100 92.061 -8.918 -9.793 1.00 0.00 C ATOM 1571 OG SER A 100 91.687 -8.939 -8.422 1.00 0.00 O ATOM 0 H SER A 100 91.155 -6.760 -8.780 1.00 0.00 H new ATOM 0 HA SER A 100 91.571 -7.754 -11.535 1.00 0.00 H new ATOM 0 HB2 SER A 100 91.984 -9.919 -10.218 1.00 0.00 H new ATOM 0 HB3 SER A 100 93.101 -8.609 -9.893 1.00 0.00 H new ATOM 0 HG SER A 100 92.269 -9.558 -7.934 1.00 0.00 H new ATOM 1577 N ALA A 101 89.663 -9.646 -11.449 1.00 0.00 N ATOM 1578 CA ALA A 101 88.338 -10.300 -11.643 1.00 0.00 C ATOM 1579 C ALA A 101 87.967 -11.086 -10.383 1.00 0.00 C ATOM 1580 O ALA A 101 86.907 -10.906 -9.819 1.00 0.00 O ATOM 1581 CB ALA A 101 88.409 -11.254 -12.836 1.00 0.00 C ATOM 0 H ALA A 101 90.443 -10.095 -11.929 1.00 0.00 H new ATOM 0 HA ALA A 101 87.582 -9.538 -11.832 1.00 0.00 H new ATOM 0 HB1 ALA A 101 87.440 -11.732 -12.978 1.00 0.00 H new ATOM 0 HB2 ALA A 101 88.672 -10.695 -13.734 1.00 0.00 H new ATOM 0 HB3 ALA A 101 89.165 -12.016 -12.648 1.00 0.00 H new ATOM 1587 N THR A 102 88.833 -11.957 -9.939 1.00 0.00 N ATOM 1588 CA THR A 102 88.525 -12.754 -8.718 1.00 0.00 C ATOM 1589 C THR A 102 87.996 -11.826 -7.624 1.00 0.00 C ATOM 1590 O THR A 102 87.004 -12.108 -6.981 1.00 0.00 O ATOM 1591 CB THR A 102 89.798 -13.448 -8.228 1.00 0.00 C ATOM 1592 OG1 THR A 102 90.363 -14.204 -9.290 1.00 0.00 O ATOM 1593 CG2 THR A 102 89.459 -14.378 -7.062 1.00 0.00 C ATOM 0 H THR A 102 89.738 -12.150 -10.368 1.00 0.00 H new ATOM 0 HA THR A 102 87.770 -13.504 -8.954 1.00 0.00 H new ATOM 0 HB THR A 102 90.515 -12.698 -7.894 1.00 0.00 H new ATOM 0 HG1 THR A 102 91.082 -14.771 -8.941 1.00 0.00 H new ATOM 0 HG21 THR A 102 90.367 -14.871 -6.714 1.00 0.00 H new ATOM 0 HG22 THR A 102 89.027 -13.797 -6.247 1.00 0.00 H new ATOM 0 HG23 THR A 102 88.742 -15.129 -7.392 1.00 0.00 H new ATOM 1601 N PHE A 103 88.653 -10.724 -7.408 1.00 0.00 N ATOM 1602 CA PHE A 103 88.192 -9.774 -6.356 1.00 0.00 C ATOM 1603 C PHE A 103 86.854 -9.159 -6.777 1.00 0.00 C ATOM 1604 O PHE A 103 85.881 -9.207 -6.050 1.00 0.00 O ATOM 1605 CB PHE A 103 89.238 -8.666 -6.177 1.00 0.00 C ATOM 1606 CG PHE A 103 89.598 -8.534 -4.715 1.00 0.00 C ATOM 1607 CD1 PHE A 103 89.185 -7.411 -3.990 1.00 0.00 C ATOM 1608 CD2 PHE A 103 90.345 -9.538 -4.086 1.00 0.00 C ATOM 1609 CE1 PHE A 103 89.519 -7.289 -2.636 1.00 0.00 C ATOM 1610 CE2 PHE A 103 90.678 -9.417 -2.731 1.00 0.00 C ATOM 1611 CZ PHE A 103 90.265 -8.293 -2.007 1.00 0.00 C ATOM 0 H PHE A 103 89.491 -10.438 -7.914 1.00 0.00 H new ATOM 0 HA PHE A 103 88.064 -10.305 -5.413 1.00 0.00 H new ATOM 0 HB2 PHE A 103 90.129 -8.896 -6.761 1.00 0.00 H new ATOM 0 HB3 PHE A 103 88.847 -7.720 -6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 103 88.608 -6.638 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 103 90.664 -10.405 -4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 103 89.201 -6.421 -2.077 1.00 0.00 H new ATOM 0 HE2 PHE A 103 91.253 -10.191 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 103 90.522 -8.200 -0.962 1.00 0.00 H new ATOM 1621 N LEU A 104 86.797 -8.583 -7.946 1.00 0.00 N ATOM 1622 CA LEU A 104 85.524 -7.968 -8.413 1.00 0.00 C ATOM 1623 C LEU A 104 84.361 -8.916 -8.116 1.00 0.00 C ATOM 1624 O LEU A 104 83.231 -8.497 -7.952 1.00 0.00 O ATOM 1625 CB LEU A 104 85.601 -7.714 -9.920 1.00 0.00 C ATOM 1626 CG LEU A 104 86.385 -6.425 -10.186 1.00 0.00 C ATOM 1627 CD1 LEU A 104 86.725 -6.335 -11.676 1.00 0.00 C ATOM 1628 CD2 LEU A 104 85.541 -5.212 -9.781 1.00 0.00 C ATOM 0 H LEU A 104 87.578 -8.512 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 104 85.366 -7.023 -7.893 1.00 0.00 H new ATOM 0 HB2 LEU A 104 86.086 -8.555 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 104 84.597 -7.633 -10.337 1.00 0.00 H new ATOM 0 HG LEU A 104 87.304 -6.435 -9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 104 87.283 -5.418 -11.867 1.00 0.00 H new ATOM 0 HD12 LEU A 104 87.330 -7.195 -11.964 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.804 -6.328 -12.259 1.00 0.00 H new ATOM 0 HD21 LEU A 104 86.103 -4.298 -9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 104 84.619 -5.200 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 104 85.300 -5.275 -8.720 1.00 0.00 H new ATOM 1640 N GLY A 105 84.627 -10.191 -8.043 1.00 0.00 N ATOM 1641 CA GLY A 105 83.536 -11.167 -7.755 1.00 0.00 C ATOM 1642 C GLY A 105 83.577 -11.556 -6.276 1.00 0.00 C ATOM 1643 O GLY A 105 82.627 -12.087 -5.737 1.00 0.00 O ATOM 0 H GLY A 105 85.553 -10.600 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.568 -10.730 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 105 83.653 -12.053 -8.379 1.00 0.00 H new ATOM 1647 N TYR A 106 84.674 -11.297 -5.616 1.00 0.00 N ATOM 1648 CA TYR A 106 84.776 -11.653 -4.174 1.00 0.00 C ATOM 1649 C TYR A 106 84.103 -10.569 -3.330 1.00 0.00 C ATOM 1650 O TYR A 106 83.849 -10.750 -2.155 1.00 0.00 O ATOM 1651 CB TYR A 106 86.251 -11.764 -3.781 1.00 0.00 C ATOM 1652 CG TYR A 106 86.381 -12.616 -2.542 1.00 0.00 C ATOM 1653 CD1 TYR A 106 86.583 -13.997 -2.660 1.00 0.00 C ATOM 1654 CD2 TYR A 106 86.299 -12.028 -1.275 1.00 0.00 C ATOM 1655 CE1 TYR A 106 86.704 -14.787 -1.512 1.00 0.00 C ATOM 1656 CE2 TYR A 106 86.418 -12.819 -0.126 1.00 0.00 C ATOM 1657 CZ TYR A 106 86.622 -14.198 -0.245 1.00 0.00 C ATOM 1658 OH TYR A 106 86.741 -14.979 0.887 1.00 0.00 O ATOM 0 H TYR A 106 85.502 -10.855 -6.014 1.00 0.00 H new ATOM 0 HA TYR A 106 84.279 -12.607 -3.999 1.00 0.00 H new ATOM 0 HB2 TYR A 106 86.824 -12.203 -4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.665 -10.772 -3.598 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.645 -14.452 -3.638 1.00 0.00 H new ATOM 0 HD2 TYR A 106 86.144 -10.963 -1.183 1.00 0.00 H new ATOM 0 HE1 TYR A 106 86.861 -15.852 -1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 106 86.352 -12.365 0.852 1.00 0.00 H new ATOM 0 HH TYR A 106 87.628 -14.848 1.283 1.00 0.00 H new ATOM 1668 N PHE A 107 83.813 -9.440 -3.917 1.00 0.00 N ATOM 1669 CA PHE A 107 83.159 -8.346 -3.148 1.00 0.00 C ATOM 1670 C PHE A 107 82.004 -8.919 -2.321 1.00 0.00 C ATOM 1671 O PHE A 107 81.091 -9.523 -2.848 1.00 0.00 O ATOM 1672 CB PHE A 107 82.618 -7.292 -4.116 1.00 0.00 C ATOM 1673 CG PHE A 107 81.384 -7.825 -4.808 1.00 0.00 C ATOM 1674 CD1 PHE A 107 81.497 -8.873 -5.728 1.00 0.00 C ATOM 1675 CD2 PHE A 107 80.130 -7.270 -4.527 1.00 0.00 C ATOM 1676 CE1 PHE A 107 80.354 -9.368 -6.368 1.00 0.00 C ATOM 1677 CE2 PHE A 107 78.988 -7.765 -5.167 1.00 0.00 C ATOM 1678 CZ PHE A 107 79.099 -8.814 -6.088 1.00 0.00 C ATOM 0 H PHE A 107 84.001 -9.229 -4.897 1.00 0.00 H new ATOM 0 HA PHE A 107 83.889 -7.887 -2.482 1.00 0.00 H new ATOM 0 HB2 PHE A 107 82.377 -6.377 -3.575 1.00 0.00 H new ATOM 0 HB3 PHE A 107 83.379 -7.036 -4.853 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.465 -9.300 -5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 107 80.044 -6.461 -3.817 1.00 0.00 H new ATOM 0 HE1 PHE A 107 80.441 -10.177 -7.078 1.00 0.00 H new ATOM 0 HE2 PHE A 107 78.020 -7.338 -4.950 1.00 0.00 H new ATOM 0 HZ PHE A 107 78.217 -9.195 -6.582 1.00 0.00 H new ATOM 1688 N LYS A 108 82.039 -8.734 -1.028 1.00 0.00 N ATOM 1689 CA LYS A 108 80.946 -9.267 -0.165 1.00 0.00 C ATOM 1690 C LYS A 108 80.134 -8.100 0.404 1.00 0.00 C ATOM 1691 O LYS A 108 78.934 -8.022 0.229 1.00 0.00 O ATOM 1692 CB LYS A 108 81.551 -10.076 0.984 1.00 0.00 C ATOM 1693 CG LYS A 108 81.636 -11.552 0.586 1.00 0.00 C ATOM 1694 CD LYS A 108 82.133 -12.378 1.774 1.00 0.00 C ATOM 1695 CE LYS A 108 80.945 -12.797 2.641 1.00 0.00 C ATOM 1696 NZ LYS A 108 81.429 -13.187 3.995 1.00 0.00 N ATOM 0 H LYS A 108 82.778 -8.236 -0.532 1.00 0.00 H new ATOM 0 HA LYS A 108 80.295 -9.910 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 108 82.544 -9.697 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 108 80.941 -9.965 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 108 80.657 -11.909 0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 108 82.312 -11.672 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 108 82.666 -13.260 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 108 82.840 -11.795 2.365 1.00 0.00 H new ATOM 0 HE2 LYS A 108 80.232 -11.976 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 108 80.419 -13.632 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 80.621 -13.472 4.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 82.093 -13.983 3.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 81.912 -12.379 4.437 1.00 0.00 H new ATOM 1710 N SER A 109 80.780 -7.192 1.083 1.00 0.00 N ATOM 1711 CA SER A 109 80.045 -6.033 1.663 1.00 0.00 C ATOM 1712 C SER A 109 80.035 -4.880 0.658 1.00 0.00 C ATOM 1713 O SER A 109 79.495 -3.823 0.915 1.00 0.00 O ATOM 1714 CB SER A 109 80.739 -5.581 2.949 1.00 0.00 C ATOM 1715 OG SER A 109 80.142 -4.375 3.406 1.00 0.00 O ATOM 0 H SER A 109 81.784 -7.203 1.261 1.00 0.00 H new ATOM 0 HA SER A 109 79.020 -6.329 1.887 1.00 0.00 H new ATOM 0 HB2 SER A 109 80.654 -6.354 3.713 1.00 0.00 H new ATOM 0 HB3 SER A 109 81.803 -5.428 2.767 1.00 0.00 H new ATOM 0 HG SER A 109 79.647 -3.956 2.671 1.00 0.00 H new ATOM 1721 N GLY A 110 80.628 -5.075 -0.489 1.00 0.00 N ATOM 1722 CA GLY A 110 80.651 -3.990 -1.510 1.00 0.00 C ATOM 1723 C GLY A 110 81.858 -3.082 -1.265 1.00 0.00 C ATOM 1724 O GLY A 110 81.718 -1.941 -0.872 1.00 0.00 O ATOM 0 H GLY A 110 81.097 -5.938 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 110 80.703 -4.419 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 110 79.730 -3.409 -1.460 1.00 0.00 H new ATOM 1728 N LEU A 111 83.043 -3.581 -1.491 1.00 0.00 N ATOM 1729 CA LEU A 111 84.257 -2.747 -1.269 1.00 0.00 C ATOM 1730 C LEU A 111 84.017 -1.340 -1.822 1.00 0.00 C ATOM 1731 O LEU A 111 83.208 -1.139 -2.706 1.00 0.00 O ATOM 1732 CB LEU A 111 85.452 -3.382 -1.987 1.00 0.00 C ATOM 1733 CG LEU A 111 85.114 -3.599 -3.468 1.00 0.00 C ATOM 1734 CD1 LEU A 111 85.694 -2.455 -4.304 1.00 0.00 C ATOM 1735 CD2 LEU A 111 85.715 -4.925 -3.942 1.00 0.00 C ATOM 0 H LEU A 111 83.222 -4.530 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 111 84.466 -2.687 -0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 111 86.327 -2.739 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 111 85.705 -4.333 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 111 84.031 -3.624 -3.588 1.00 0.00 H new ATOM 0 HD11 LEU A 111 85.452 -2.613 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 111 85.267 -1.509 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 111 86.777 -2.428 -4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 111 85.474 -5.078 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU A 111 86.798 -4.899 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 111 85.302 -5.743 -3.352 1.00 0.00 H new ATOM 1747 N LYS A 112 84.716 -0.364 -1.308 1.00 0.00 N ATOM 1748 CA LYS A 112 84.530 1.028 -1.804 1.00 0.00 C ATOM 1749 C LYS A 112 85.810 1.830 -1.563 1.00 0.00 C ATOM 1750 O LYS A 112 86.411 1.755 -0.510 1.00 0.00 O ATOM 1751 CB LYS A 112 83.365 1.684 -1.057 1.00 0.00 C ATOM 1752 CG LYS A 112 83.249 3.149 -1.481 1.00 0.00 C ATOM 1753 CD LYS A 112 81.826 3.644 -1.219 1.00 0.00 C ATOM 1754 CE LYS A 112 81.712 5.112 -1.633 1.00 0.00 C ATOM 1755 NZ LYS A 112 80.333 5.601 -1.352 1.00 0.00 N ATOM 0 H LYS A 112 85.408 -0.472 -0.566 1.00 0.00 H new ATOM 0 HA LYS A 112 84.311 1.008 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 112 82.436 1.157 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 112 83.525 1.617 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 112 83.965 3.757 -0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 112 83.493 3.253 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 112 81.111 3.041 -1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 112 81.580 3.533 -0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 112 82.440 5.712 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 112 81.939 5.221 -2.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 80.255 6.599 -1.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 79.647 5.035 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 80.133 5.511 -0.335 1.00 0.00 H new ATOM 1769 N TYR A 113 86.232 2.596 -2.532 1.00 0.00 N ATOM 1770 CA TYR A 113 87.475 3.403 -2.360 1.00 0.00 C ATOM 1771 C TYR A 113 87.103 4.868 -2.121 1.00 0.00 C ATOM 1772 O TYR A 113 86.198 5.396 -2.734 1.00 0.00 O ATOM 1773 CB TYR A 113 88.341 3.288 -3.622 1.00 0.00 C ATOM 1774 CG TYR A 113 87.555 2.601 -4.715 1.00 0.00 C ATOM 1775 CD1 TYR A 113 86.403 3.204 -5.234 1.00 0.00 C ATOM 1776 CD2 TYR A 113 87.978 1.360 -5.206 1.00 0.00 C ATOM 1777 CE1 TYR A 113 85.676 2.567 -6.246 1.00 0.00 C ATOM 1778 CE2 TYR A 113 87.252 0.723 -6.219 1.00 0.00 C ATOM 1779 CZ TYR A 113 86.100 1.326 -6.739 1.00 0.00 C ATOM 1780 OH TYR A 113 85.382 0.697 -7.736 1.00 0.00 O ATOM 0 H TYR A 113 85.770 2.698 -3.436 1.00 0.00 H new ATOM 0 HA TYR A 113 88.036 3.029 -1.504 1.00 0.00 H new ATOM 0 HB2 TYR A 113 88.653 4.279 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 113 89.248 2.724 -3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 113 86.076 4.160 -4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 113 88.865 0.894 -4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 113 84.788 3.032 -6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 113 87.580 -0.233 -6.599 1.00 0.00 H new ATOM 0 HH TYR A 113 85.813 -0.153 -7.963 1.00 0.00 H new ATOM 1790 N LYS A 114 87.798 5.528 -1.233 1.00 0.00 N ATOM 1791 CA LYS A 114 87.488 6.959 -0.952 1.00 0.00 C ATOM 1792 C LYS A 114 88.600 7.841 -1.527 1.00 0.00 C ATOM 1793 O LYS A 114 89.754 7.713 -1.168 1.00 0.00 O ATOM 1794 CB LYS A 114 87.396 7.172 0.563 1.00 0.00 C ATOM 1795 CG LYS A 114 85.927 7.185 0.994 1.00 0.00 C ATOM 1796 CD LYS A 114 85.342 8.583 0.780 1.00 0.00 C ATOM 1797 CE LYS A 114 83.940 8.649 1.386 1.00 0.00 C ATOM 1798 NZ LYS A 114 83.338 9.983 1.101 1.00 0.00 N ATOM 0 H LYS A 114 88.568 5.137 -0.690 1.00 0.00 H new ATOM 0 HA LYS A 114 86.537 7.225 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 114 87.931 6.378 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 114 87.874 8.112 0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 114 85.362 6.451 0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 114 85.843 6.901 2.043 1.00 0.00 H new ATOM 0 HD2 LYS A 114 85.985 9.332 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 114 85.300 8.812 -0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 114 83.315 7.859 0.970 1.00 0.00 H new ATOM 0 HE3 LYS A 114 83.989 8.483 2.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 82.384 10.029 1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 83.931 10.728 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 83.278 10.124 0.072 1.00 0.00 H new ATOM 1812 N LYS A 115 88.264 8.735 -2.415 1.00 0.00 N ATOM 1813 CA LYS A 115 89.302 9.622 -3.010 1.00 0.00 C ATOM 1814 C LYS A 115 89.673 10.714 -2.006 1.00 0.00 C ATOM 1815 O LYS A 115 88.823 11.276 -1.343 1.00 0.00 O ATOM 1816 CB LYS A 115 88.754 10.266 -4.286 1.00 0.00 C ATOM 1817 CG LYS A 115 88.240 9.176 -5.229 1.00 0.00 C ATOM 1818 CD LYS A 115 88.292 9.682 -6.672 1.00 0.00 C ATOM 1819 CE LYS A 115 87.504 8.732 -7.577 1.00 0.00 C ATOM 1820 NZ LYS A 115 87.395 7.398 -6.922 1.00 0.00 N ATOM 0 H LYS A 115 87.315 8.890 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 115 90.187 9.034 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 115 87.949 10.958 -4.040 1.00 0.00 H new ATOM 0 HB3 LYS A 115 89.535 10.847 -4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 115 88.846 8.276 -5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 115 87.218 8.904 -4.965 1.00 0.00 H new ATOM 0 HD2 LYS A 115 87.874 10.687 -6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 115 89.327 9.747 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 115 86.510 9.137 -7.770 1.00 0.00 H new ATOM 0 HE3 LYS A 115 88.002 8.636 -8.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 87.028 6.705 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 88.334 7.096 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 86.747 7.461 -6.111 1.00 0.00 H new ATOM 1834 N GLY A 116 90.936 11.021 -1.888 1.00 0.00 N ATOM 1835 CA GLY A 116 91.361 12.078 -0.925 1.00 0.00 C ATOM 1836 C GLY A 116 92.515 12.882 -1.523 1.00 0.00 C ATOM 1837 O GLY A 116 92.313 13.790 -2.304 1.00 0.00 O ATOM 0 H GLY A 116 91.692 10.586 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 116 90.523 12.738 -0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 116 91.670 11.624 0.016 1.00 0.00 H new ATOM 1841 N GLY A 117 93.726 12.557 -1.162 1.00 0.00 N ATOM 1842 CA GLY A 117 94.892 13.305 -1.710 1.00 0.00 C ATOM 1843 C GLY A 117 94.645 14.809 -1.574 1.00 0.00 C ATOM 1844 O GLY A 117 94.521 15.519 -2.551 1.00 0.00 O ATOM 0 H GLY A 117 93.958 11.806 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 117 95.800 13.025 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 117 95.045 13.044 -2.757 1.00 0.00 H new ATOM 1848 N VAL A 118 94.574 15.299 -0.366 1.00 0.00 N ATOM 1849 CA VAL A 118 94.334 16.756 -0.166 1.00 0.00 C ATOM 1850 C VAL A 118 95.672 17.471 0.035 1.00 0.00 C ATOM 1851 O VAL A 118 96.633 16.891 0.501 1.00 0.00 O ATOM 1852 CB VAL A 118 93.454 16.964 1.066 1.00 0.00 C ATOM 1853 CG1 VAL A 118 92.138 16.205 0.889 1.00 0.00 C ATOM 1854 CG2 VAL A 118 94.182 16.439 2.305 1.00 0.00 C ATOM 0 H VAL A 118 94.672 14.753 0.490 1.00 0.00 H new ATOM 0 HA VAL A 118 93.832 17.165 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 118 93.246 18.027 1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 118 91.511 16.354 1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 118 91.619 16.578 0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 118 92.345 15.142 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 118 93.556 16.587 3.185 1.00 0.00 H new ATOM 0 HG22 VAL A 118 94.390 15.376 2.182 1.00 0.00 H new ATOM 0 HG23 VAL A 118 95.120 16.980 2.432 1.00 0.00 H new ATOM 1864 N ALA A 119 95.742 18.727 -0.311 1.00 0.00 N ATOM 1865 CA ALA A 119 97.017 19.479 -0.138 1.00 0.00 C ATOM 1866 C ALA A 119 98.183 18.629 -0.644 1.00 0.00 C ATOM 1867 O ALA A 119 98.936 18.067 0.127 1.00 0.00 O ATOM 1868 CB ALA A 119 97.224 19.796 1.344 1.00 0.00 C ATOM 0 H ALA A 119 94.971 19.265 -0.706 1.00 0.00 H new ATOM 0 HA ALA A 119 96.971 20.408 -0.706 1.00 0.00 H new ATOM 0 HB1 ALA A 119 98.156 20.346 1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 119 96.393 20.401 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 119 97.270 18.867 1.912 1.00 0.00 H new ATOM 1874 N SER A 120 98.342 18.530 -1.936 1.00 0.00 N ATOM 1875 CA SER A 120 99.460 17.717 -2.489 1.00 0.00 C ATOM 1876 C SER A 120 100.796 18.324 -2.053 1.00 0.00 C ATOM 1877 O SER A 120 100.865 19.072 -1.099 1.00 0.00 O ATOM 1878 CB SER A 120 99.378 17.710 -4.016 1.00 0.00 C ATOM 1879 OG SER A 120 100.268 16.726 -4.530 1.00 0.00 O ATOM 0 H SER A 120 97.745 18.978 -2.632 1.00 0.00 H new ATOM 0 HA SER A 120 99.386 16.695 -2.116 1.00 0.00 H new ATOM 0 HB2 SER A 120 98.358 17.497 -4.336 1.00 0.00 H new ATOM 0 HB3 SER A 120 99.637 18.693 -4.410 1.00 0.00 H new ATOM 0 HG SER A 120 100.136 16.639 -5.497 1.00 0.00 H new ATOM 1885 N GLY A 121 101.856 18.009 -2.745 1.00 0.00 N ATOM 1886 CA GLY A 121 103.184 18.569 -2.366 1.00 0.00 C ATOM 1887 C GLY A 121 104.273 17.938 -3.237 1.00 0.00 C ATOM 1888 O GLY A 121 104.003 17.393 -4.288 1.00 0.00 O ATOM 0 H GLY A 121 101.860 17.389 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 121 103.184 19.652 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 121 103.386 18.372 -1.313 1.00 0.00 H new ATOM 1892 N PHE A 122 105.504 18.009 -2.806 1.00 0.00 N ATOM 1893 CA PHE A 122 106.609 17.414 -3.608 1.00 0.00 C ATOM 1894 C PHE A 122 106.246 15.976 -3.989 1.00 0.00 C ATOM 1895 O PHE A 122 106.543 15.040 -3.273 1.00 0.00 O ATOM 1896 CB PHE A 122 107.897 17.418 -2.782 1.00 0.00 C ATOM 1897 CG PHE A 122 107.866 18.571 -1.808 1.00 0.00 C ATOM 1898 CD1 PHE A 122 108.424 19.803 -2.165 1.00 0.00 C ATOM 1899 CD2 PHE A 122 107.279 18.406 -0.548 1.00 0.00 C ATOM 1900 CE1 PHE A 122 108.395 20.873 -1.262 1.00 0.00 C ATOM 1901 CE2 PHE A 122 107.251 19.476 0.355 1.00 0.00 C ATOM 1902 CZ PHE A 122 107.807 20.709 -0.002 1.00 0.00 C ATOM 0 H PHE A 122 105.791 18.453 -1.934 1.00 0.00 H new ATOM 0 HA PHE A 122 106.759 18.001 -4.514 1.00 0.00 H new ATOM 0 HB2 PHE A 122 107.999 16.476 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 122 108.763 17.506 -3.439 1.00 0.00 H new ATOM 0 HD1 PHE A 122 108.877 19.929 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 122 106.848 17.455 -0.273 1.00 0.00 H new ATOM 0 HE1 PHE A 122 108.826 21.824 -1.537 1.00 0.00 H new ATOM 0 HE2 PHE A 122 106.800 19.349 1.328 1.00 0.00 H new ATOM 0 HZ PHE A 122 107.783 21.534 0.694 1.00 0.00 H new ATOM 1912 N LYS A 123 105.606 15.792 -5.111 1.00 0.00 N ATOM 1913 CA LYS A 123 105.225 14.415 -5.536 1.00 0.00 C ATOM 1914 C LYS A 123 105.410 14.278 -7.049 1.00 0.00 C ATOM 1915 O LYS A 123 106.157 13.444 -7.519 1.00 0.00 O ATOM 1916 CB LYS A 123 103.759 14.158 -5.177 1.00 0.00 C ATOM 1917 CG LYS A 123 103.664 13.679 -3.726 1.00 0.00 C ATOM 1918 CD LYS A 123 103.872 12.164 -3.673 1.00 0.00 C ATOM 1919 CE LYS A 123 104.343 11.763 -2.274 1.00 0.00 C ATOM 1920 NZ LYS A 123 103.751 12.688 -1.265 1.00 0.00 N ATOM 0 H LYS A 123 105.330 16.536 -5.752 1.00 0.00 H new ATOM 0 HA LYS A 123 105.858 13.689 -5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 123 103.176 15.070 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 123 103.336 13.409 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 123 104.415 14.181 -3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 123 102.690 13.938 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 123 102.942 11.650 -3.917 1.00 0.00 H new ATOM 0 HD3 LYS A 123 104.609 11.861 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 123 104.047 10.736 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 123 105.431 11.798 -2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 103.794 12.248 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 104.286 13.580 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 102.759 12.882 -1.511 1.00 0.00 H new ATOM 1934 N HIS A 124 104.733 15.090 -7.815 1.00 0.00 N ATOM 1935 CA HIS A 124 104.870 15.004 -9.296 1.00 0.00 C ATOM 1936 C HIS A 124 106.108 15.788 -9.740 1.00 0.00 C ATOM 1937 O HIS A 124 106.076 16.994 -9.868 1.00 0.00 O ATOM 1938 CB HIS A 124 103.625 15.598 -9.958 1.00 0.00 C ATOM 1939 CG HIS A 124 102.415 15.284 -9.123 1.00 0.00 C ATOM 1940 ND1 HIS A 124 101.540 16.270 -8.688 1.00 0.00 N ATOM 1941 CD2 HIS A 124 101.920 14.100 -8.633 1.00 0.00 C ATOM 1942 CE1 HIS A 124 100.572 15.667 -7.972 1.00 0.00 C ATOM 1943 NE2 HIS A 124 100.761 14.348 -7.909 1.00 0.00 N ATOM 0 H HIS A 124 104.092 15.808 -7.479 1.00 0.00 H new ATOM 0 HA HIS A 124 104.976 13.960 -9.592 1.00 0.00 H new ATOM 0 HB2 HIS A 124 103.736 16.677 -10.064 1.00 0.00 H new ATOM 0 HB3 HIS A 124 103.504 15.190 -10.961 1.00 0.00 H new ATOM 0 HD2 HIS A 124 102.363 13.127 -8.787 1.00 0.00 H new ATOM 0 HE1 HIS A 124 99.747 16.186 -7.507 1.00 0.00 H new ATOM 0 HE2 HIS A 124 100.176 13.664 -7.429 1.00 0.00 H new ATOM 1951 N VAL A 125 107.197 15.107 -9.978 1.00 0.00 N ATOM 1952 CA VAL A 125 108.439 15.809 -10.416 1.00 0.00 C ATOM 1953 C VAL A 125 108.783 15.390 -11.847 1.00 0.00 C ATOM 1954 O VAL A 125 109.337 14.334 -12.078 1.00 0.00 O ATOM 1955 CB VAL A 125 109.592 15.434 -9.482 1.00 0.00 C ATOM 1956 CG1 VAL A 125 110.627 16.560 -9.467 1.00 0.00 C ATOM 1957 CG2 VAL A 125 109.050 15.224 -8.066 1.00 0.00 C ATOM 0 H VAL A 125 107.280 14.094 -9.888 1.00 0.00 H new ATOM 0 HA VAL A 125 108.280 16.887 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 125 110.061 14.516 -9.835 1.00 0.00 H new ATOM 0 HG11 VAL A 125 111.447 16.291 -8.801 1.00 0.00 H new ATOM 0 HG12 VAL A 125 111.013 16.713 -10.475 1.00 0.00 H new ATOM 0 HG13 VAL A 125 110.160 17.479 -9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 125 109.869 14.957 -7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 125 108.582 16.144 -7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 125 108.312 14.422 -8.074 1.00 0.00 H new ATOM 1967 N VAL A 126 108.456 16.207 -12.810 1.00 0.00 N ATOM 1968 CA VAL A 126 108.763 15.853 -14.225 1.00 0.00 C ATOM 1969 C VAL A 126 109.242 17.101 -14.970 1.00 0.00 C ATOM 1970 O VAL A 126 108.525 17.668 -15.772 1.00 0.00 O ATOM 1971 CB VAL A 126 107.501 15.311 -14.900 1.00 0.00 C ATOM 1972 CG1 VAL A 126 107.831 14.877 -16.327 1.00 0.00 C ATOM 1973 CG2 VAL A 126 106.979 14.109 -14.110 1.00 0.00 C ATOM 0 H VAL A 126 107.989 17.104 -12.679 1.00 0.00 H new ATOM 0 HA VAL A 126 109.544 15.093 -14.248 1.00 0.00 H new ATOM 0 HB VAL A 126 106.739 16.090 -14.925 1.00 0.00 H new ATOM 0 HG11 VAL A 126 106.932 14.491 -16.807 1.00 0.00 H new ATOM 0 HG12 VAL A 126 108.205 15.732 -16.890 1.00 0.00 H new ATOM 0 HG13 VAL A 126 108.593 14.098 -16.303 1.00 0.00 H new ATOM 0 HG21 VAL A 126 106.080 13.721 -14.589 1.00 0.00 H new ATOM 0 HG22 VAL A 126 107.742 13.331 -14.086 1.00 0.00 H new ATOM 0 HG23 VAL A 126 106.743 14.418 -13.092 1.00 0.00 H new ATOM 1983 N PRO A 127 110.449 17.523 -14.706 1.00 0.00 N ATOM 1984 CA PRO A 127 111.044 18.723 -15.355 1.00 0.00 C ATOM 1985 C PRO A 127 111.528 18.432 -16.779 1.00 0.00 C ATOM 1986 O PRO A 127 111.577 17.297 -17.208 1.00 0.00 O ATOM 1987 CB PRO A 127 112.222 19.073 -14.448 1.00 0.00 C ATOM 1988 CG PRO A 127 112.627 17.787 -13.806 1.00 0.00 C ATOM 1989 CD PRO A 127 111.380 16.899 -13.753 1.00 0.00 C ATOM 0 HA PRO A 127 110.320 19.531 -15.461 1.00 0.00 H new ATOM 0 HB2 PRO A 127 113.044 19.502 -15.021 1.00 0.00 H new ATOM 0 HB3 PRO A 127 111.935 19.812 -13.700 1.00 0.00 H new ATOM 0 HG2 PRO A 127 113.420 17.304 -14.377 1.00 0.00 H new ATOM 0 HG3 PRO A 127 113.018 17.963 -12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 127 111.611 15.872 -14.036 1.00 0.00 H new ATOM 0 HD3 PRO A 127 110.958 16.865 -12.749 1.00 0.00 H new ATOM 1997 N ASN A 128 111.887 19.449 -17.514 1.00 0.00 N ATOM 1998 CA ASN A 128 112.365 19.229 -18.908 1.00 0.00 C ATOM 1999 C ASN A 128 113.863 18.918 -18.891 1.00 0.00 C ATOM 2000 O ASN A 128 114.643 19.610 -18.267 1.00 0.00 O ATOM 2001 CB ASN A 128 112.116 20.491 -19.738 1.00 0.00 C ATOM 2002 CG ASN A 128 112.224 20.154 -21.226 1.00 0.00 C ATOM 2003 OD1 ASN A 128 111.228 20.069 -21.916 1.00 0.00 O ATOM 2004 ND2 ASN A 128 113.401 19.957 -21.753 1.00 0.00 N ATOM 0 H ASN A 128 111.870 20.422 -17.209 1.00 0.00 H new ATOM 0 HA ASN A 128 111.825 18.391 -19.349 1.00 0.00 H new ATOM 0 HB2 ASN A 128 111.128 20.895 -19.517 1.00 0.00 H new ATOM 0 HB3 ASN A 128 112.842 21.261 -19.475 1.00 0.00 H new ATOM 0 HD21 ASN A 128 113.485 19.732 -22.744 1.00 0.00 H new ATOM 0 HD22 ASN A 128 114.238 20.028 -21.174 1.00 0.00 H new ATOM 2011 N GLU A 129 114.271 17.882 -19.570 1.00 0.00 N ATOM 2012 CA GLU A 129 115.718 17.528 -19.593 1.00 0.00 C ATOM 2013 C GLU A 129 116.238 17.418 -18.158 1.00 0.00 C ATOM 2014 O GLU A 129 116.507 18.408 -17.507 1.00 0.00 O ATOM 2015 CB GLU A 129 116.497 18.615 -20.337 1.00 0.00 C ATOM 2016 CG GLU A 129 117.972 18.218 -20.431 1.00 0.00 C ATOM 2017 CD GLU A 129 118.722 18.737 -19.202 1.00 0.00 C ATOM 2018 OE1 GLU A 129 118.727 18.044 -18.199 1.00 0.00 O ATOM 2019 OE2 GLU A 129 119.279 19.819 -19.286 1.00 0.00 O ATOM 0 H GLU A 129 113.665 17.265 -20.110 1.00 0.00 H new ATOM 0 HA GLU A 129 115.851 16.573 -20.102 1.00 0.00 H new ATOM 0 HB2 GLU A 129 116.083 18.754 -21.336 1.00 0.00 H new ATOM 0 HB3 GLU A 129 116.399 19.568 -19.816 1.00 0.00 H new ATOM 0 HG2 GLU A 129 118.064 17.134 -20.495 1.00 0.00 H new ATOM 0 HG3 GLU A 129 118.413 18.629 -21.339 1.00 0.00 H new ATOM 2026 N VAL A 130 116.382 16.220 -17.659 1.00 0.00 N ATOM 2027 CA VAL A 130 116.886 16.047 -16.268 1.00 0.00 C ATOM 2028 C VAL A 130 118.337 16.523 -16.187 1.00 0.00 C ATOM 2029 O VAL A 130 119.207 16.015 -16.868 1.00 0.00 O ATOM 2030 CB VAL A 130 116.811 14.570 -15.879 1.00 0.00 C ATOM 2031 CG1 VAL A 130 117.833 13.774 -16.695 1.00 0.00 C ATOM 2032 CG2 VAL A 130 117.123 14.420 -14.389 1.00 0.00 C ATOM 0 H VAL A 130 116.172 15.354 -18.155 1.00 0.00 H new ATOM 0 HA VAL A 130 116.273 16.635 -15.584 1.00 0.00 H new ATOM 0 HB VAL A 130 115.809 14.191 -16.082 1.00 0.00 H new ATOM 0 HG11 VAL A 130 117.780 12.721 -16.418 1.00 0.00 H new ATOM 0 HG12 VAL A 130 117.613 13.881 -17.757 1.00 0.00 H new ATOM 0 HG13 VAL A 130 118.835 14.152 -16.492 1.00 0.00 H new ATOM 0 HG21 VAL A 130 117.070 13.368 -14.110 1.00 0.00 H new ATOM 0 HG22 VAL A 130 118.125 14.799 -14.187 1.00 0.00 H new ATOM 0 HG23 VAL A 130 116.397 14.987 -13.806 1.00 0.00 H new ATOM 2042 N VAL A 131 118.608 17.497 -15.360 1.00 0.00 N ATOM 2043 CA VAL A 131 120.002 18.004 -15.237 1.00 0.00 C ATOM 2044 C VAL A 131 120.851 16.984 -14.476 1.00 0.00 C ATOM 2045 O VAL A 131 120.338 16.089 -13.834 1.00 0.00 O ATOM 2046 CB VAL A 131 119.997 19.331 -14.476 1.00 0.00 C ATOM 2047 CG1 VAL A 131 121.431 19.841 -14.328 1.00 0.00 C ATOM 2048 CG2 VAL A 131 119.167 20.358 -15.250 1.00 0.00 C ATOM 0 H VAL A 131 117.923 17.963 -14.765 1.00 0.00 H new ATOM 0 HA VAL A 131 120.422 18.156 -16.231 1.00 0.00 H new ATOM 0 HB VAL A 131 119.562 19.182 -13.488 1.00 0.00 H new ATOM 0 HG11 VAL A 131 121.427 20.787 -13.786 1.00 0.00 H new ATOM 0 HG12 VAL A 131 122.022 19.109 -13.777 1.00 0.00 H new ATOM 0 HG13 VAL A 131 121.868 19.991 -15.315 1.00 0.00 H new ATOM 0 HG21 VAL A 131 119.162 21.304 -14.709 1.00 0.00 H new ATOM 0 HG22 VAL A 131 119.602 20.507 -16.238 1.00 0.00 H new ATOM 0 HG23 VAL A 131 118.145 19.995 -15.355 1.00 0.00 H new ATOM 2058 N VAL A 132 122.149 17.111 -14.543 1.00 0.00 N ATOM 2059 CA VAL A 132 123.030 16.152 -13.825 1.00 0.00 C ATOM 2060 C VAL A 132 124.293 16.875 -13.352 1.00 0.00 C ATOM 2061 O VAL A 132 125.396 16.522 -13.719 1.00 0.00 O ATOM 2062 CB VAL A 132 123.417 15.010 -14.767 1.00 0.00 C ATOM 2063 CG1 VAL A 132 124.189 13.944 -13.988 1.00 0.00 C ATOM 2064 CG2 VAL A 132 122.152 14.391 -15.362 1.00 0.00 C ATOM 0 H VAL A 132 122.636 17.839 -15.065 1.00 0.00 H new ATOM 0 HA VAL A 132 122.500 15.747 -12.963 1.00 0.00 H new ATOM 0 HB VAL A 132 124.045 15.398 -15.569 1.00 0.00 H new ATOM 0 HG11 VAL A 132 124.464 13.131 -14.659 1.00 0.00 H new ATOM 0 HG12 VAL A 132 125.091 14.385 -13.563 1.00 0.00 H new ATOM 0 HG13 VAL A 132 123.563 13.555 -13.185 1.00 0.00 H new ATOM 0 HG21 VAL A 132 122.426 13.577 -16.033 1.00 0.00 H new ATOM 0 HG22 VAL A 132 121.524 14.003 -14.559 1.00 0.00 H new ATOM 0 HG23 VAL A 132 121.602 15.150 -15.918 1.00 0.00 H new ATOM 2074 N GLN A 133 124.140 17.887 -12.543 1.00 0.00 N ATOM 2075 CA GLN A 133 125.332 18.633 -12.049 1.00 0.00 C ATOM 2076 C GLN A 133 125.769 18.058 -10.700 1.00 0.00 C ATOM 2077 O GLN A 133 126.598 18.680 -10.054 1.00 0.00 O ATOM 2078 CB GLN A 133 124.974 20.112 -11.884 1.00 0.00 C ATOM 2079 CG GLN A 133 126.223 20.969 -12.099 1.00 0.00 C ATOM 2080 CD GLN A 133 126.407 21.237 -13.593 1.00 0.00 C ATOM 2081 OE1 GLN A 133 125.604 20.815 -14.402 1.00 0.00 O ATOM 2082 NE2 GLN A 133 127.440 21.924 -13.999 1.00 0.00 N ATOM 2083 OXT GLN A 133 125.271 17.007 -10.335 1.00 0.00 O ATOM 0 H GLN A 133 123.242 18.230 -12.203 1.00 0.00 H new ATOM 0 HA GLN A 133 126.147 18.535 -12.766 1.00 0.00 H new ATOM 0 HB2 GLN A 133 124.201 20.392 -12.600 1.00 0.00 H new ATOM 0 HB3 GLN A 133 124.566 20.289 -10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 133 126.128 21.911 -11.559 1.00 0.00 H new ATOM 0 HG3 GLN A 133 127.100 20.459 -11.699 1.00 0.00 H new ATOM 0 HE21 GLN A 133 128.115 22.279 -13.321 1.00 0.00 H new ATOM 0 HE22 GLN A 133 127.572 22.106 -14.994 1.00 0.00 H new TER 2092 GLN A 133