USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 13 HIS :FLIP+bothHN:sc= -1.55 F(o=-3.2,f=-0.91) USER MOD Set 1.2: A 44 THR OG1 : rot 171:sc= 1.02 USER MOD Set 1.3: A 80 THR OG1 : rot -70:sc= 0.0273 USER MOD Set 1.4: A 117 GLN : amide:sc= -0.4 X(o=-0.91,f=-1.3) USER MOD Set 2.1: A 25 TYR OH : rot 20:sc= 0.355 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -3.12! C(o=-2!,f=-9.3!) USER MOD Set 2.3: A 79 THR OG1 : rot 86:sc= 0.772 USER MOD Set 3.1: A 52 SER OG : rot 170:sc= 0 USER MOD Set 3.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 63 ASN : amide:sc= -1.22 X(o=-1.3,f=-0.82) USER MOD Set 4.2: A 73 LYS NZ :NH3+ 166:sc= -0.0264 (180deg=-0.24) USER MOD Set 5.1: A 30 MET CE :methyl 173:sc= -0.481 (180deg=-0.687) USER MOD Set 5.2: A 43 ASN : amide:sc= 0.00765 K(o=-0.47,f=-2.7!) USER MOD Set 6.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 8 HIS :FLIP no HD1:sc= -0.301 F(o=-0.9,f=-0.3) USER MOD Set 7.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 50 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0442) USER MOD Single : A 1 GLN : amide:sc=-0.00255 X(o=-0.0026,f=0) USER MOD Single : A 1 GLN N :NH3+ -132:sc= 0.0511 (180deg=-0.0223) USER MOD Single : A 3 ASN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 56:sc= 0.704 USER MOD Single : A 12 GLN : amide:sc=-0.00138 K(o=-0.0014,f=-2.1!) USER MOD Single : A 14 TYR OH : rot -89:sc= 0.00664 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.2) USER MOD Single : A 28 SER OG : rot 88:sc= 0.353 USER MOD Single : A 36 THR OG1 : rot 41:sc= 1.26 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.0225 X(o=-0.022,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0749) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.097) USER MOD Single : A 65 HIS : no HD1:sc= -0.63 X(o=-0.63,f=-0.55) USER MOD Single : A 68 ASN : amide:sc= 0.0192 X(o=0.019,f=-0.012) USER MOD Single : A 72 SER OG : rot 170:sc= 0.049 USER MOD Single : A 75 SER OG : rot 105:sc= 0.523 USER MOD Single : A 77 GLN : amide:sc= 0.0132 K(o=0.013,f=-1.2) USER MOD Single : A 82 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.0552) USER MOD Single : A 84 HIS : no HD1:sc= -0.0153 X(o=-0.015,f=-0.02) USER MOD Single : A 87 SER OG : rot 32:sc= 0.273 USER MOD Single : A 93 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.34) USER MOD Single : A 94 TYR OH : rot -102:sc= 0.405 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0125 K(o=-0.013,f=-1.2) USER MOD Single : A 109 ASN : amide:sc= -0.0805 X(o=-0.08,f=-0.11) USER MOD Single : A 114 HIS : no HE2:sc= -1.86! X(o=-1.9!,f=-2.1) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.376 -4.161 -2.958 1.00 0.00 N ATOM 2 CA GLN A 1 6.688 -5.185 -2.141 1.00 0.00 C ATOM 3 C GLN A 1 5.524 -4.577 -1.445 1.00 0.00 C ATOM 4 O GLN A 1 5.478 -3.361 -1.252 1.00 0.00 O ATOM 5 CB GLN A 1 7.631 -5.727 -1.052 1.00 0.00 C ATOM 6 CG GLN A 1 8.896 -6.381 -1.614 1.00 0.00 C ATOM 7 CD GLN A 1 9.674 -6.999 -0.453 1.00 0.00 C ATOM 8 OE1 GLN A 1 9.832 -8.224 -0.376 1.00 0.00 O ATOM 9 NE2 GLN A 1 10.164 -6.116 0.470 1.00 0.00 N ATOM 0 H1 GLN A 1 7.547 -4.536 -3.913 1.00 0.00 H new ATOM 0 H2 GLN A 1 6.781 -3.311 -3.022 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.284 -3.915 -2.514 1.00 0.00 H new ATOM 0 HA GLN A 1 6.373 -5.987 -2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.917 -4.910 -0.390 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.093 -6.456 -0.445 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.635 -7.146 -2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.508 -5.642 -2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 1 10.003 -5.116 0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 1 10.691 -6.458 1.274 1.00 0.00 H new ATOM 20 N ASP A 2 4.562 -5.432 -1.034 1.00 0.00 N ATOM 21 CA ASP A 2 3.417 -5.006 -0.280 1.00 0.00 C ATOM 22 C ASP A 2 3.574 -5.504 1.116 1.00 0.00 C ATOM 23 O ASP A 2 2.728 -6.224 1.644 1.00 0.00 O ATOM 24 CB ASP A 2 2.090 -5.550 -0.825 1.00 0.00 C ATOM 25 CG ASP A 2 1.894 -5.028 -2.240 1.00 0.00 C ATOM 26 OD1 ASP A 2 1.800 -3.782 -2.402 1.00 0.00 O ATOM 27 OD2 ASP A 2 1.836 -5.867 -3.178 1.00 0.00 O ATOM 0 H ASP A 2 4.580 -6.433 -1.228 1.00 0.00 H new ATOM 0 HA ASP A 2 3.375 -3.919 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.099 -6.640 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.263 -5.236 -0.188 1.00 0.00 H new ATOM 32 N ASN A 3 4.685 -5.076 1.743 1.00 0.00 N ATOM 33 CA ASN A 3 4.920 -5.255 3.142 1.00 0.00 C ATOM 34 C ASN A 3 4.960 -3.874 3.695 1.00 0.00 C ATOM 35 O ASN A 3 5.231 -3.668 4.875 1.00 0.00 O ATOM 36 CB ASN A 3 6.255 -5.945 3.473 1.00 0.00 C ATOM 37 CG ASN A 3 6.239 -7.359 2.894 1.00 0.00 C ATOM 38 OD1 ASN A 3 5.333 -8.156 3.169 1.00 0.00 O ATOM 39 ND2 ASN A 3 7.286 -7.667 2.071 1.00 0.00 N ATOM 0 H ASN A 3 5.442 -4.591 1.262 1.00 0.00 H new ATOM 0 HA ASN A 3 4.144 -5.898 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.086 -5.377 3.056 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.403 -5.981 4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.348 -8.594 1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.006 -6.970 1.879 1.00 0.00 H new ATOM 46 N SER A 4 4.690 -2.890 2.811 1.00 0.00 N ATOM 47 CA SER A 4 4.659 -1.500 3.154 1.00 0.00 C ATOM 48 C SER A 4 3.278 -1.132 3.583 1.00 0.00 C ATOM 49 O SER A 4 3.093 -0.104 4.225 1.00 0.00 O ATOM 50 CB SER A 4 5.024 -0.599 1.965 1.00 0.00 C ATOM 51 OG SER A 4 6.321 -0.928 1.490 1.00 0.00 O ATOM 0 H SER A 4 4.487 -3.069 1.828 1.00 0.00 H new ATOM 0 HA SER A 4 5.389 -1.350 3.950 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.293 -0.722 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 4 4.993 0.448 2.268 1.00 0.00 H new ATOM 0 HG SER A 4 6.547 -0.351 0.731 1.00 0.00 H new ATOM 57 N ARG A 5 2.276 -1.968 3.224 1.00 0.00 N ATOM 58 CA ARG A 5 0.902 -1.761 3.574 1.00 0.00 C ATOM 59 C ARG A 5 0.730 -1.940 5.046 1.00 0.00 C ATOM 60 O ARG A 5 0.051 -1.138 5.694 1.00 0.00 O ATOM 61 CB ARG A 5 -0.026 -2.777 2.893 1.00 0.00 C ATOM 62 CG ARG A 5 -0.129 -2.573 1.377 1.00 0.00 C ATOM 63 CD ARG A 5 -1.020 -3.610 0.684 1.00 0.00 C ATOM 64 NE ARG A 5 -2.393 -3.526 1.261 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.425 -4.219 0.697 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.225 -4.952 -0.437 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.662 -4.185 1.271 1.00 0.00 N ATOM 0 H ARG A 5 2.431 -2.813 2.673 1.00 0.00 H new ATOM 0 HA ARG A 5 0.642 -0.753 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.338 -3.785 3.094 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.021 -2.703 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.522 -1.576 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.870 -2.615 0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.050 -3.425 -0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -0.613 -4.611 0.824 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.562 -2.946 2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.301 -4.984 -0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.000 -5.468 -0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.815 -3.642 2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.434 -4.702 0.850 1.00 0.00 H new ATOM 81 N TYR A 6 1.369 -3.002 5.592 1.00 0.00 N ATOM 82 CA TYR A 6 1.427 -3.281 6.965 1.00 0.00 C ATOM 83 C TYR A 6 2.068 -2.177 7.706 1.00 0.00 C ATOM 84 O TYR A 6 1.456 -1.664 8.631 1.00 0.00 O ATOM 85 CB TYR A 6 2.302 -4.504 7.012 1.00 0.00 C ATOM 86 CG TYR A 6 2.837 -4.847 8.332 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.062 -4.951 9.462 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.136 -5.277 8.340 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.575 -5.544 10.588 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.664 -5.851 9.471 1.00 0.00 C ATOM 91 CZ TYR A 6 3.881 -5.995 10.602 1.00 0.00 C ATOM 92 OH TYR A 6 4.395 -6.635 11.747 1.00 0.00 O ATOM 0 H TYR A 6 1.865 -3.690 5.026 1.00 0.00 H new ATOM 0 HA TYR A 6 0.443 -3.416 7.415 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.729 -5.353 6.640 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.138 -4.358 6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.052 -4.567 9.464 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.747 -5.165 7.456 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.956 -5.659 11.466 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.690 -6.189 9.477 1.00 0.00 H new ATOM 0 HH TYR A 6 5.328 -6.890 11.588 1.00 0.00 H new ATOM 102 N THR A 7 3.302 -1.778 7.349 1.00 0.00 N ATOM 103 CA THR A 7 3.974 -0.819 8.155 1.00 0.00 C ATOM 104 C THR A 7 3.518 0.605 7.984 1.00 0.00 C ATOM 105 O THR A 7 3.933 1.454 8.767 1.00 0.00 O ATOM 106 CB THR A 7 5.455 -0.831 7.999 1.00 0.00 C ATOM 107 OG1 THR A 7 5.842 -0.188 6.792 1.00 0.00 O ATOM 108 CG2 THR A 7 6.002 -2.266 8.035 1.00 0.00 C ATOM 0 H THR A 7 3.816 -2.108 6.532 1.00 0.00 H new ATOM 0 HA THR A 7 3.696 -1.154 9.154 1.00 0.00 H new ATOM 0 HB THR A 7 5.881 -0.280 8.838 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.818 -0.206 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.086 -2.245 7.919 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.748 -2.728 8.989 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.561 -2.844 7.223 1.00 0.00 H new ATOM 116 N HIS A 8 2.644 0.911 6.995 1.00 0.00 N ATOM 117 CA HIS A 8 2.028 2.209 6.911 1.00 0.00 C ATOM 118 C HIS A 8 0.852 2.253 7.834 1.00 0.00 C ATOM 119 O HIS A 8 0.571 3.295 8.431 1.00 0.00 O ATOM 120 CB HIS A 8 1.603 2.611 5.494 1.00 0.00 C ATOM 121 CG HIS A 8 2.800 2.806 4.608 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.111 2.538 4.828 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 2.698 3.309 3.341 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 4.788 2.887 3.692 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 3.913 3.349 2.809 1.00 0.00 N flip ATOM 0 H HIS A 8 2.366 0.263 6.258 1.00 0.00 H new ATOM 0 HA HIS A 8 2.785 2.936 7.207 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.956 1.842 5.073 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.021 3.532 5.533 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.785 3.621 2.856 1.00 0.00 H new ATOM 0 HE1 HIS A 8 5.854 2.801 3.540 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.138 3.682 1.871 1.00 0.00 H new ATOM 134 N PHE A 9 0.184 1.086 8.005 1.00 0.00 N ATOM 135 CA PHE A 9 -0.751 0.859 9.085 1.00 0.00 C ATOM 136 C PHE A 9 -0.064 1.057 10.419 1.00 0.00 C ATOM 137 O PHE A 9 -0.667 1.632 11.315 1.00 0.00 O ATOM 138 CB PHE A 9 -1.497 -0.506 8.959 1.00 0.00 C ATOM 139 CG PHE A 9 -1.898 -1.188 10.242 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.861 -0.657 11.086 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.363 -2.430 10.558 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.171 -1.274 12.286 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.739 -3.082 11.716 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.595 -2.484 12.607 1.00 0.00 C ATOM 0 H PHE A 9 0.294 0.285 7.383 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.542 1.605 9.016 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.397 -0.347 8.365 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.860 -1.189 8.397 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.376 0.249 10.804 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.647 -2.890 9.893 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.864 -0.807 12.970 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.356 -4.071 11.922 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.815 -2.958 13.552 1.00 0.00 H new ATOM 154 N LEU A 10 1.208 0.625 10.588 1.00 0.00 N ATOM 155 CA LEU A 10 1.947 0.806 11.821 1.00 0.00 C ATOM 156 C LEU A 10 2.598 2.160 11.938 1.00 0.00 C ATOM 157 O LEU A 10 3.051 2.508 13.026 1.00 0.00 O ATOM 158 CB LEU A 10 3.034 -0.263 12.081 1.00 0.00 C ATOM 159 CG LEU A 10 2.474 -1.581 12.660 1.00 0.00 C ATOM 160 CD1 LEU A 10 1.363 -2.161 11.846 1.00 0.00 C ATOM 161 CD2 LEU A 10 3.488 -2.688 12.803 1.00 0.00 C ATOM 0 H LEU A 10 1.735 0.142 9.860 1.00 0.00 H new ATOM 0 HA LEU A 10 1.168 0.703 12.576 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.553 -0.477 11.147 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.774 0.143 12.771 1.00 0.00 H new ATOM 0 HG LEU A 10 2.127 -1.261 13.642 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.017 -3.085 12.309 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.539 -1.449 11.796 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.722 -2.372 10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.005 -3.573 13.217 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.906 -2.927 11.825 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.287 -2.366 13.471 1.00 0.00 H new ATOM 173 N THR A 11 2.655 2.970 10.854 1.00 0.00 N ATOM 174 CA THR A 11 3.061 4.351 10.965 1.00 0.00 C ATOM 175 C THR A 11 1.978 5.103 11.664 1.00 0.00 C ATOM 176 O THR A 11 2.249 5.897 12.566 1.00 0.00 O ATOM 177 CB THR A 11 3.370 5.026 9.644 1.00 0.00 C ATOM 178 OG1 THR A 11 4.405 4.316 8.985 1.00 0.00 O ATOM 179 CG2 THR A 11 3.843 6.481 9.847 1.00 0.00 C ATOM 0 H THR A 11 2.422 2.673 9.906 1.00 0.00 H new ATOM 0 HA THR A 11 3.996 4.359 11.524 1.00 0.00 H new ATOM 0 HB THR A 11 2.455 5.030 9.052 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.143 3.378 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.055 6.933 8.878 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.062 7.051 10.350 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.747 6.488 10.457 1.00 0.00 H new ATOM 187 N GLN A 12 0.721 4.855 11.248 1.00 0.00 N ATOM 188 CA GLN A 12 -0.423 5.503 11.834 1.00 0.00 C ATOM 189 C GLN A 12 -0.711 4.997 13.202 1.00 0.00 C ATOM 190 O GLN A 12 -1.070 5.784 14.075 1.00 0.00 O ATOM 191 CB GLN A 12 -1.714 5.245 11.031 1.00 0.00 C ATOM 192 CG GLN A 12 -1.673 5.660 9.555 1.00 0.00 C ATOM 193 CD GLN A 12 -1.510 7.172 9.447 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.394 7.936 9.851 1.00 0.00 O ATOM 195 NE2 GLN A 12 -0.345 7.590 8.864 1.00 0.00 N ATOM 0 H GLN A 12 0.492 4.201 10.500 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.162 6.561 11.842 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.947 4.181 11.084 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.534 5.775 11.516 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.847 5.159 9.050 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.589 5.347 9.054 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.344 6.905 8.552 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.165 8.586 8.741 1.00 0.00 H new ATOM 204 N HIS A 13 -0.603 3.673 13.407 1.00 0.00 N ATOM 205 CA HIS A 13 -1.074 3.074 14.599 1.00 0.00 C ATOM 206 C HIS A 13 0.046 2.787 15.532 1.00 0.00 C ATOM 207 O HIS A 13 -0.026 3.207 16.675 1.00 0.00 O ATOM 208 CB HIS A 13 -1.871 1.800 14.305 1.00 0.00 C ATOM 209 CG HIS A 13 -3.152 2.137 13.593 1.00 0.00 C ATOM 210 ND1 HIS A 13 -3.404 2.369 12.283 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.292 2.449 14.277 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -4.696 2.810 12.190 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.208 2.854 13.410 1.00 0.00 N flip ATOM 0 H HIS A 13 -0.187 3.022 12.741 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.744 3.786 15.080 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.275 1.123 13.693 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.091 1.278 15.236 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.752 2.239 11.509 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.425 2.377 15.346 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.210 3.076 11.278 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.155 3.152 13.645 1.00 0.00 H new ATOM 222 N TYR A 14 1.098 2.058 15.128 1.00 0.00 N ATOM 223 CA TYR A 14 1.989 1.533 16.123 1.00 0.00 C ATOM 224 C TYR A 14 2.849 2.592 16.750 1.00 0.00 C ATOM 225 O TYR A 14 3.540 3.342 16.064 1.00 0.00 O ATOM 226 CB TYR A 14 2.901 0.463 15.569 1.00 0.00 C ATOM 227 CG TYR A 14 3.346 -0.457 16.644 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.581 -1.560 16.987 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.576 -0.267 17.236 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.077 -2.481 17.889 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.004 -1.119 18.224 1.00 0.00 C ATOM 232 CZ TYR A 14 4.241 -2.202 18.573 1.00 0.00 C ATOM 233 OH TYR A 14 4.715 -3.041 19.593 1.00 0.00 O ATOM 0 H TYR A 14 1.330 1.836 14.160 1.00 0.00 H new ATOM 0 HA TYR A 14 1.333 1.104 16.881 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.380 -0.100 14.795 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.768 0.926 15.098 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.602 -1.699 16.552 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.204 0.553 16.922 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.557 -3.413 18.057 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.942 -0.935 18.726 1.00 0.00 H new ATOM 0 HH TYR A 14 4.337 -2.757 20.452 1.00 0.00 H new ATOM 243 N ASP A 15 2.813 2.648 18.095 1.00 0.00 N ATOM 244 CA ASP A 15 3.686 3.498 18.832 1.00 0.00 C ATOM 245 C ASP A 15 3.831 2.696 20.069 1.00 0.00 C ATOM 246 O ASP A 15 2.892 2.631 20.853 1.00 0.00 O ATOM 247 CB ASP A 15 3.125 4.893 19.183 1.00 0.00 C ATOM 248 CG ASP A 15 4.231 5.622 19.937 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.332 5.798 19.350 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.992 6.015 21.107 1.00 0.00 O ATOM 0 H ASP A 15 2.174 2.100 18.671 1.00 0.00 H new ATOM 0 HA ASP A 15 4.589 3.739 18.272 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.845 5.438 18.281 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.227 4.808 19.796 1.00 0.00 H new ATOM 255 N ALA A 16 4.998 2.033 20.219 1.00 0.00 N ATOM 256 CA ALA A 16 5.257 0.930 21.122 1.00 0.00 C ATOM 257 C ALA A 16 4.848 1.070 22.553 1.00 0.00 C ATOM 258 O ALA A 16 4.499 0.073 23.182 1.00 0.00 O ATOM 259 CB ALA A 16 6.734 0.521 21.166 1.00 0.00 C ATOM 0 H ALA A 16 5.823 2.281 19.673 1.00 0.00 H new ATOM 0 HA ALA A 16 4.609 0.184 20.662 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.861 -0.310 21.860 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.057 0.215 20.171 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.336 1.367 21.498 1.00 0.00 H new ATOM 265 N LYS A 17 4.890 2.294 23.104 1.00 0.00 N ATOM 266 CA LYS A 17 4.381 2.507 24.425 1.00 0.00 C ATOM 267 C LYS A 17 3.812 3.895 24.476 1.00 0.00 C ATOM 268 O LYS A 17 4.285 4.757 23.736 1.00 0.00 O ATOM 269 CB LYS A 17 5.420 2.309 25.564 1.00 0.00 C ATOM 270 CG LYS A 17 6.593 3.310 25.673 1.00 0.00 C ATOM 271 CD LYS A 17 7.605 3.286 24.516 1.00 0.00 C ATOM 272 CE LYS A 17 8.830 4.164 24.782 1.00 0.00 C ATOM 273 NZ LYS A 17 9.735 4.142 23.612 1.00 0.00 N ATOM 0 H LYS A 17 5.268 3.124 22.647 1.00 0.00 H new ATOM 0 HA LYS A 17 3.623 1.745 24.608 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.881 2.325 26.511 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.845 1.311 25.456 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.181 4.316 25.749 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.128 3.114 26.602 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.930 2.260 24.344 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.114 3.622 23.603 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.516 5.187 24.989 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.358 3.807 25.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.563 4.741 23.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.047 3.166 23.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.231 4.503 22.777 1.00 0.00 H new ATOM 287 N PRO A 18 2.831 4.161 25.326 1.00 0.00 N ATOM 288 CA PRO A 18 2.396 5.490 25.632 1.00 0.00 C ATOM 289 C PRO A 18 3.466 6.136 26.454 1.00 0.00 C ATOM 290 O PRO A 18 4.073 5.472 27.296 1.00 0.00 O ATOM 291 CB PRO A 18 1.141 5.297 26.494 1.00 0.00 C ATOM 292 CG PRO A 18 1.184 3.848 26.977 1.00 0.00 C ATOM 293 CD PRO A 18 1.887 3.179 25.815 1.00 0.00 C ATOM 0 HA PRO A 18 2.198 6.101 24.751 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.135 5.989 27.336 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.237 5.490 25.916 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.736 3.740 27.911 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.188 3.440 27.147 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.395 2.269 26.134 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.178 2.893 25.038 1.00 0.00 H new ATOM 301 N GLN A 19 3.667 7.452 26.237 1.00 0.00 N ATOM 302 CA GLN A 19 4.505 8.252 27.068 1.00 0.00 C ATOM 303 C GLN A 19 3.708 8.534 28.296 1.00 0.00 C ATOM 304 O GLN A 19 4.145 8.284 29.418 1.00 0.00 O ATOM 305 CB GLN A 19 4.891 9.574 26.384 1.00 0.00 C ATOM 306 CG GLN A 19 5.608 9.384 25.037 1.00 0.00 C ATOM 307 CD GLN A 19 6.845 8.502 25.221 1.00 0.00 C ATOM 308 OE1 GLN A 19 6.895 7.374 24.714 1.00 0.00 O ATOM 309 NE2 GLN A 19 7.859 9.044 25.961 1.00 0.00 N ATOM 0 H GLN A 19 3.237 7.966 25.468 1.00 0.00 H new ATOM 0 HA GLN A 19 5.437 7.730 27.286 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.991 10.168 26.226 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.536 10.144 27.052 1.00 0.00 H new ATOM 0 HG2 GLN A 19 4.930 8.927 24.316 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.899 10.353 24.631 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.760 9.980 26.354 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.715 8.512 26.120 1.00 0.00 H new ATOM 318 N GLY A 20 2.481 9.030 28.070 1.00 0.00 N ATOM 319 CA GLY A 20 1.445 9.007 29.056 1.00 0.00 C ATOM 320 C GLY A 20 0.268 8.540 28.294 1.00 0.00 C ATOM 321 O GLY A 20 0.355 8.293 27.095 1.00 0.00 O ATOM 0 H GLY A 20 2.201 9.456 27.186 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.686 8.333 29.878 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.279 9.993 29.490 1.00 0.00 H new ATOM 325 N ARG A 21 -0.871 8.416 28.987 1.00 0.00 N ATOM 326 CA ARG A 21 -2.096 7.970 28.379 1.00 0.00 C ATOM 327 C ARG A 21 -3.039 9.111 28.559 1.00 0.00 C ATOM 328 O ARG A 21 -4.118 8.968 29.133 1.00 0.00 O ATOM 329 CB ARG A 21 -2.668 6.684 29.017 1.00 0.00 C ATOM 330 CG ARG A 21 -1.777 5.453 28.771 1.00 0.00 C ATOM 331 CD ARG A 21 -2.162 4.224 29.600 1.00 0.00 C ATOM 332 NE ARG A 21 -3.481 3.718 29.131 1.00 0.00 N ATOM 333 CZ ARG A 21 -4.085 2.671 29.764 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.484 2.073 30.834 1.00 0.00 N ATOM 335 NH2 ARG A 21 -5.297 2.220 29.329 1.00 0.00 N ATOM 0 H ARG A 21 -0.952 8.626 29.982 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.931 7.705 27.335 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.783 6.836 30.090 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.663 6.494 28.613 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.821 5.192 27.714 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.743 5.717 28.992 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.403 3.448 29.498 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.213 4.484 30.657 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.936 4.157 28.331 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.579 2.409 31.164 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.940 1.291 31.304 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.751 2.665 28.531 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.749 1.437 29.801 1.00 0.00 H new ATOM 349 N ASP A 22 -2.603 10.293 28.079 1.00 0.00 N ATOM 350 CA ASP A 22 -3.278 11.527 28.334 1.00 0.00 C ATOM 351 C ASP A 22 -3.217 12.349 27.087 1.00 0.00 C ATOM 352 O ASP A 22 -2.652 11.932 26.074 1.00 0.00 O ATOM 353 CB ASP A 22 -2.704 12.281 29.553 1.00 0.00 C ATOM 354 CG ASP A 22 -1.176 12.326 29.532 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.588 13.039 28.677 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.575 11.647 30.407 1.00 0.00 O ATOM 0 H ASP A 22 -1.766 10.391 27.504 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.316 11.322 28.596 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.096 13.298 29.568 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.040 11.796 30.470 1.00 0.00 H new ATOM 361 N ASP A 23 -3.820 13.555 27.166 1.00 0.00 N ATOM 362 CA ASP A 23 -4.028 14.454 26.065 1.00 0.00 C ATOM 363 C ASP A 23 -2.757 15.035 25.530 1.00 0.00 C ATOM 364 O ASP A 23 -2.714 15.438 24.371 1.00 0.00 O ATOM 365 CB ASP A 23 -4.976 15.629 26.410 1.00 0.00 C ATOM 366 CG ASP A 23 -4.393 16.535 27.494 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.267 16.081 28.662 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.083 17.711 27.163 1.00 0.00 O ATOM 0 H ASP A 23 -4.182 13.922 28.046 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.489 13.825 25.303 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.168 16.216 25.512 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.936 15.235 26.744 1.00 0.00 H new ATOM 373 N ARG A 24 -1.693 15.087 26.361 1.00 0.00 N ATOM 374 CA ARG A 24 -0.431 15.626 25.958 1.00 0.00 C ATOM 375 C ARG A 24 0.330 14.596 25.179 1.00 0.00 C ATOM 376 O ARG A 24 1.158 14.958 24.348 1.00 0.00 O ATOM 377 CB ARG A 24 0.413 16.118 27.157 1.00 0.00 C ATOM 378 CG ARG A 24 1.701 16.889 26.809 1.00 0.00 C ATOM 379 CD ARG A 24 1.471 18.148 25.961 1.00 0.00 C ATOM 380 NE ARG A 24 2.800 18.770 25.669 1.00 0.00 N ATOM 381 CZ ARG A 24 3.350 19.732 26.469 1.00 0.00 C ATOM 382 NH1 ARG A 24 2.710 20.163 27.594 1.00 0.00 N ATOM 383 NH2 ARG A 24 4.562 20.268 26.136 1.00 0.00 N ATOM 0 H ARG A 24 -1.713 14.750 27.324 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.630 16.495 25.332 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.213 16.759 27.777 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.684 15.254 27.763 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.202 17.174 27.734 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.377 16.222 26.273 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.960 17.892 25.033 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.831 18.852 26.493 1.00 0.00 H new ATOM 0 HE ARG A 24 3.314 18.465 24.843 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.806 19.766 27.850 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.136 20.882 28.179 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.047 19.950 25.297 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.981 20.987 26.726 1.00 0.00 H new ATOM 397 N TYR A 25 0.054 13.291 25.411 1.00 0.00 N ATOM 398 CA TYR A 25 0.696 12.248 24.658 1.00 0.00 C ATOM 399 C TYR A 25 0.087 12.229 23.305 1.00 0.00 C ATOM 400 O TYR A 25 0.828 12.133 22.333 1.00 0.00 O ATOM 401 CB TYR A 25 0.579 10.840 25.279 1.00 0.00 C ATOM 402 CG TYR A 25 0.752 9.724 24.277 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.935 9.483 23.588 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.321 8.876 24.052 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.027 8.444 22.685 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.229 7.837 23.150 1.00 0.00 C ATOM 407 CZ TYR A 25 0.944 7.623 22.464 1.00 0.00 C ATOM 408 OH TYR A 25 1.031 6.573 21.531 1.00 0.00 O ATOM 0 H TYR A 25 -0.608 12.962 26.114 1.00 0.00 H new ATOM 0 HA TYR A 25 1.762 12.476 24.642 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.329 10.734 26.063 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.396 10.742 25.756 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.792 10.117 23.762 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.244 9.031 24.592 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.950 8.274 22.151 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.078 7.191 22.982 1.00 0.00 H new ATOM 0 HH TYR A 25 1.973 6.361 21.364 1.00 0.00 H new ATOM 418 N CYS A 26 -1.260 12.314 23.221 1.00 0.00 N ATOM 419 CA CYS A 26 -1.972 12.240 21.972 1.00 0.00 C ATOM 420 C CYS A 26 -1.685 13.379 21.046 1.00 0.00 C ATOM 421 O CYS A 26 -1.607 13.188 19.832 1.00 0.00 O ATOM 422 CB CYS A 26 -3.487 12.259 22.149 1.00 0.00 C ATOM 423 SG CYS A 26 -4.167 10.652 22.617 1.00 0.00 S ATOM 0 H CYS A 26 -1.865 12.436 24.033 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.621 11.296 21.555 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.748 12.993 22.911 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.951 12.586 21.219 1.00 0.00 H new ATOM 428 N GLU A 27 -1.539 14.591 21.611 1.00 0.00 N ATOM 429 CA GLU A 27 -1.289 15.776 20.841 1.00 0.00 C ATOM 430 C GLU A 27 0.138 15.842 20.405 1.00 0.00 C ATOM 431 O GLU A 27 0.408 16.340 19.312 1.00 0.00 O ATOM 432 CB GLU A 27 -1.635 17.073 21.587 1.00 0.00 C ATOM 433 CG GLU A 27 -3.150 17.271 21.721 1.00 0.00 C ATOM 434 CD GLU A 27 -3.403 18.474 22.617 1.00 0.00 C ATOM 435 OE1 GLU A 27 -2.913 19.582 22.273 1.00 0.00 O ATOM 436 OE2 GLU A 27 -4.090 18.297 23.657 1.00 0.00 O ATOM 0 H GLU A 27 -1.595 14.754 22.616 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.948 15.701 19.976 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.183 17.053 22.579 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.204 17.922 21.057 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.600 17.428 20.740 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.612 16.379 22.145 1.00 0.00 H new ATOM 443 N SER A 28 1.085 15.338 21.233 1.00 0.00 N ATOM 444 CA SER A 28 2.470 15.348 20.879 1.00 0.00 C ATOM 445 C SER A 28 2.801 14.286 19.885 1.00 0.00 C ATOM 446 O SER A 28 3.720 14.483 19.092 1.00 0.00 O ATOM 447 CB SER A 28 3.396 15.150 22.082 1.00 0.00 C ATOM 448 OG SER A 28 3.355 16.295 22.922 1.00 0.00 O ATOM 0 H SER A 28 0.885 14.926 22.144 1.00 0.00 H new ATOM 0 HA SER A 28 2.636 16.337 20.451 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.092 14.266 22.643 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.416 14.976 21.741 1.00 0.00 H new ATOM 0 HG SER A 28 2.631 16.196 23.575 1.00 0.00 H new ATOM 454 N ILE A 29 2.069 13.148 19.902 1.00 0.00 N ATOM 455 CA ILE A 29 2.320 12.096 18.959 1.00 0.00 C ATOM 456 C ILE A 29 1.771 12.472 17.638 1.00 0.00 C ATOM 457 O ILE A 29 2.410 12.195 16.635 1.00 0.00 O ATOM 458 CB ILE A 29 1.961 10.660 19.330 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.441 9.693 18.228 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.461 10.424 19.583 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.611 8.273 18.720 1.00 0.00 C ATOM 0 H ILE A 29 1.313 12.960 20.561 1.00 0.00 H new ATOM 0 HA ILE A 29 3.408 12.031 18.949 1.00 0.00 H new ATOM 0 HB ILE A 29 2.471 10.468 20.274 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.725 9.704 17.406 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.390 10.049 17.828 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.296 9.378 19.840 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.127 11.057 20.405 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.103 10.670 18.683 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.950 7.642 17.899 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.348 8.252 19.522 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.657 7.901 19.094 1.00 0.00 H new ATOM 473 N MET A 30 0.601 13.123 17.578 1.00 0.00 N ATOM 474 CA MET A 30 0.056 13.416 16.285 1.00 0.00 C ATOM 475 C MET A 30 0.684 14.598 15.631 1.00 0.00 C ATOM 476 O MET A 30 0.663 14.704 14.408 1.00 0.00 O ATOM 477 CB MET A 30 -1.455 13.585 16.268 1.00 0.00 C ATOM 478 CG MET A 30 -2.078 12.247 15.857 1.00 0.00 C ATOM 479 SD MET A 30 -3.830 12.300 15.440 1.00 0.00 S ATOM 480 CE MET A 30 -4.318 11.764 17.099 1.00 0.00 C ATOM 0 H MET A 30 0.051 13.436 18.378 1.00 0.00 H new ATOM 0 HA MET A 30 0.301 12.524 15.709 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.815 13.887 17.251 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.743 14.370 15.568 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.530 11.860 14.998 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.938 11.536 16.671 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.402 11.818 17.195 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.990 10.737 17.261 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.855 12.414 17.842 1.00 0.00 H new ATOM 490 N ARG A 31 1.277 15.500 16.427 1.00 0.00 N ATOM 491 CA ARG A 31 2.080 16.566 15.894 1.00 0.00 C ATOM 492 C ARG A 31 3.403 16.055 15.369 1.00 0.00 C ATOM 493 O ARG A 31 3.893 16.557 14.357 1.00 0.00 O ATOM 494 CB ARG A 31 2.308 17.698 16.911 1.00 0.00 C ATOM 495 CG ARG A 31 2.711 19.030 16.266 1.00 0.00 C ATOM 496 CD ARG A 31 2.542 20.214 17.220 1.00 0.00 C ATOM 497 NE ARG A 31 2.775 21.463 16.437 1.00 0.00 N ATOM 498 CZ ARG A 31 2.350 22.675 16.902 1.00 0.00 C ATOM 499 NH1 ARG A 31 1.735 22.776 18.116 1.00 0.00 N ATOM 500 NH2 ARG A 31 2.543 23.795 16.145 1.00 0.00 N ATOM 0 H ARG A 31 1.204 15.496 17.444 1.00 0.00 H new ATOM 0 HA ARG A 31 1.515 16.985 15.061 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.396 17.845 17.489 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.085 17.394 17.613 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.750 18.974 15.941 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.107 19.196 15.374 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.542 20.216 17.654 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.249 20.143 18.047 1.00 0.00 H new ATOM 0 HE ARG A 31 3.259 21.411 15.541 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.589 21.942 18.685 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.421 23.686 18.455 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.003 23.724 15.237 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.228 24.703 16.487 1.00 0.00 H new ATOM 514 N ARG A 32 4.007 15.048 16.048 1.00 0.00 N ATOM 515 CA ARG A 32 5.287 14.493 15.679 1.00 0.00 C ATOM 516 C ARG A 32 5.170 13.584 14.486 1.00 0.00 C ATOM 517 O ARG A 32 5.988 13.652 13.568 1.00 0.00 O ATOM 518 CB ARG A 32 5.905 13.676 16.836 1.00 0.00 C ATOM 519 CG ARG A 32 7.356 13.214 16.619 1.00 0.00 C ATOM 520 CD ARG A 32 7.900 12.382 17.789 1.00 0.00 C ATOM 521 NE ARG A 32 7.833 13.187 19.049 1.00 0.00 N ATOM 522 CZ ARG A 32 8.849 14.010 19.447 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.982 14.142 18.698 1.00 0.00 N ATOM 524 NH2 ARG A 32 8.725 14.713 20.612 1.00 0.00 N ATOM 0 H ARG A 32 3.596 14.610 16.872 1.00 0.00 H new ATOM 0 HA ARG A 32 5.928 15.342 15.439 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.866 14.278 17.744 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.284 12.797 17.009 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.411 12.624 15.704 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.992 14.087 16.474 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.319 11.466 17.899 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.929 12.084 17.590 1.00 0.00 H new ATOM 0 HE ARG A 32 6.999 13.119 19.632 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.080 13.622 17.826 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.730 14.761 19.010 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.880 14.621 21.176 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.477 15.330 20.918 1.00 0.00 H new ATOM 538 N ARG A 33 4.151 12.695 14.502 1.00 0.00 N ATOM 539 CA ARG A 33 3.934 11.647 13.539 1.00 0.00 C ATOM 540 C ARG A 33 3.362 12.238 12.280 1.00 0.00 C ATOM 541 O ARG A 33 3.555 11.697 11.193 1.00 0.00 O ATOM 542 CB ARG A 33 3.005 10.549 14.120 1.00 0.00 C ATOM 543 CG ARG A 33 3.097 9.151 13.488 1.00 0.00 C ATOM 544 CD ARG A 33 4.397 8.401 13.815 1.00 0.00 C ATOM 545 NE ARG A 33 4.565 8.346 15.297 1.00 0.00 N ATOM 546 CZ ARG A 33 5.748 7.950 15.851 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.757 7.482 15.061 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.923 8.029 17.202 1.00 0.00 N ATOM 0 H ARG A 33 3.437 12.709 15.230 1.00 0.00 H new ATOM 0 HA ARG A 33 4.886 11.172 13.302 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.218 10.454 15.185 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.975 10.894 14.030 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.250 8.554 13.827 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.007 9.246 12.406 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.364 7.393 13.402 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.248 8.905 13.358 1.00 0.00 H new ATOM 0 HE ARG A 33 3.787 8.607 15.903 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.630 7.427 14.050 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.639 7.188 15.481 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.171 8.383 17.794 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.805 7.734 17.620 1.00 0.00 H new ATOM 562 N GLY A 34 2.681 13.398 12.413 1.00 0.00 N ATOM 563 CA GLY A 34 2.377 14.252 11.298 1.00 0.00 C ATOM 564 C GLY A 34 1.034 13.925 10.750 1.00 0.00 C ATOM 565 O GLY A 34 0.860 13.844 9.534 1.00 0.00 O ATOM 0 H GLY A 34 2.337 13.748 13.307 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.405 15.295 11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.133 14.132 10.522 1.00 0.00 H new ATOM 569 N LEU A 35 0.047 13.739 11.654 1.00 0.00 N ATOM 570 CA LEU A 35 -1.309 13.449 11.283 1.00 0.00 C ATOM 571 C LEU A 35 -2.147 14.572 11.807 1.00 0.00 C ATOM 572 O LEU A 35 -3.359 14.441 11.974 1.00 0.00 O ATOM 573 CB LEU A 35 -1.887 12.189 11.946 1.00 0.00 C ATOM 574 CG LEU A 35 -0.961 10.949 12.004 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.662 9.778 12.718 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.458 10.501 10.622 1.00 0.00 C ATOM 0 H LEU A 35 0.195 13.791 12.662 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.318 13.311 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.179 12.444 12.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.796 11.910 11.413 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.084 11.252 12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.994 8.917 12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.919 10.073 13.735 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.571 9.513 12.177 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.185 9.628 10.734 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.309 10.246 9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.107 11.311 10.160 1.00 0.00 H new ATOM 588 N THR A 36 -1.483 15.713 12.087 1.00 0.00 N ATOM 589 CA THR A 36 -2.082 16.886 12.655 1.00 0.00 C ATOM 590 C THR A 36 -2.561 17.756 11.536 1.00 0.00 C ATOM 591 O THR A 36 -3.303 18.712 11.748 1.00 0.00 O ATOM 592 CB THR A 36 -1.105 17.629 13.550 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.666 18.813 14.091 1.00 0.00 O ATOM 594 CG2 THR A 36 0.204 17.975 12.809 1.00 0.00 C ATOM 0 H THR A 36 -0.485 15.822 11.909 1.00 0.00 H new ATOM 0 HA THR A 36 -2.924 16.599 13.285 1.00 0.00 H new ATOM 0 HB THR A 36 -0.877 16.948 14.370 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.594 18.644 14.356 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.875 18.506 13.484 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.683 17.057 12.469 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.020 18.607 11.950 1.00 0.00 H new ATOM 602 N SER A 37 -2.144 17.417 10.301 1.00 0.00 N ATOM 603 CA SER A 37 -2.462 18.158 9.127 1.00 0.00 C ATOM 604 C SER A 37 -3.183 17.241 8.182 1.00 0.00 C ATOM 605 O SER A 37 -2.516 16.418 7.558 1.00 0.00 O ATOM 606 CB SER A 37 -1.168 18.574 8.424 1.00 0.00 C ATOM 607 OG SER A 37 -0.524 19.612 9.147 1.00 0.00 O ATOM 0 H SER A 37 -1.565 16.597 10.118 1.00 0.00 H new ATOM 0 HA SER A 37 -3.059 19.030 9.395 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.502 17.716 8.337 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.389 18.911 7.411 1.00 0.00 H new ATOM 0 HG SER A 37 0.303 19.867 8.687 1.00 0.00 H new ATOM 613 N PRO A 38 -4.492 17.311 7.980 1.00 0.00 N ATOM 614 CA PRO A 38 -5.487 17.881 8.852 1.00 0.00 C ATOM 615 C PRO A 38 -5.680 16.916 9.990 1.00 0.00 C ATOM 616 O PRO A 38 -5.302 15.749 9.870 1.00 0.00 O ATOM 617 CB PRO A 38 -6.745 17.938 7.984 1.00 0.00 C ATOM 618 CG PRO A 38 -6.586 16.780 6.996 1.00 0.00 C ATOM 619 CD PRO A 38 -5.071 16.688 6.805 1.00 0.00 C ATOM 0 HA PRO A 38 -5.232 18.859 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.647 17.825 8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.826 18.893 7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.999 15.853 7.393 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.099 16.980 6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.750 15.651 6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.759 17.201 5.895 1.00 0.00 H new ATOM 627 N CYS A 39 -6.263 17.411 11.109 1.00 0.00 N ATOM 628 CA CYS A 39 -6.486 16.654 12.301 1.00 0.00 C ATOM 629 C CYS A 39 -7.444 15.540 12.016 1.00 0.00 C ATOM 630 O CYS A 39 -8.543 15.766 11.509 1.00 0.00 O ATOM 631 CB CYS A 39 -7.148 17.504 13.397 1.00 0.00 C ATOM 632 SG CYS A 39 -6.202 18.988 13.826 1.00 0.00 S ATOM 0 H CYS A 39 -6.589 18.375 11.179 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.512 16.294 12.632 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.143 17.800 13.066 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.278 16.894 14.291 1.00 0.00 H new ATOM 637 N LYS A 40 -7.014 14.304 12.345 1.00 0.00 N ATOM 638 CA LYS A 40 -7.800 13.119 12.159 1.00 0.00 C ATOM 639 C LYS A 40 -8.798 13.088 13.274 1.00 0.00 C ATOM 640 O LYS A 40 -8.488 13.478 14.397 1.00 0.00 O ATOM 641 CB LYS A 40 -6.919 11.850 12.187 1.00 0.00 C ATOM 642 CG LYS A 40 -7.638 10.514 11.929 1.00 0.00 C ATOM 643 CD LYS A 40 -8.353 10.425 10.573 1.00 0.00 C ATOM 644 CE LYS A 40 -9.037 9.073 10.360 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.738 9.058 9.058 1.00 0.00 N ATOM 0 H LYS A 40 -6.096 14.125 12.751 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.292 13.136 11.186 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -6.131 11.964 11.442 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.431 11.794 13.160 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.910 9.706 11.995 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.368 10.350 12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.096 11.219 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.632 10.594 9.774 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.297 8.273 10.393 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.746 8.884 11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.199 8.136 8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.456 9.810 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.052 9.218 8.293 1.00 0.00 H new ATOM 659 N ASP A 41 -10.034 12.636 12.963 1.00 0.00 N ATOM 660 CA ASP A 41 -11.140 12.704 13.875 1.00 0.00 C ATOM 661 C ASP A 41 -11.069 11.652 14.938 1.00 0.00 C ATOM 662 O ASP A 41 -11.450 11.923 16.075 1.00 0.00 O ATOM 663 CB ASP A 41 -12.529 12.664 13.193 1.00 0.00 C ATOM 664 CG ASP A 41 -12.785 11.343 12.469 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.062 11.039 11.484 1.00 0.00 O ATOM 666 OD2 ASP A 41 -13.734 10.626 12.890 1.00 0.00 O ATOM 0 H ASP A 41 -10.267 12.217 12.063 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.040 13.686 14.338 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -13.304 12.820 13.944 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.605 13.486 12.481 1.00 0.00 H new ATOM 671 N ILE A 42 -10.592 10.432 14.615 1.00 0.00 N ATOM 672 CA ILE A 42 -10.423 9.435 15.632 1.00 0.00 C ATOM 673 C ILE A 42 -9.414 8.465 15.103 1.00 0.00 C ATOM 674 O ILE A 42 -9.532 7.979 13.978 1.00 0.00 O ATOM 675 CB ILE A 42 -11.721 8.760 16.084 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.496 7.926 17.361 1.00 0.00 C ATOM 677 CG2 ILE A 42 -12.399 7.957 14.951 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.803 7.615 18.095 1.00 0.00 C ATOM 0 H ILE A 42 -10.329 10.141 13.674 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.074 9.907 16.551 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.428 9.550 16.339 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.999 6.992 17.098 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.826 8.466 18.031 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -13.314 7.500 15.327 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.640 8.626 14.125 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.721 7.178 14.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.588 7.026 18.987 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -13.289 8.547 18.384 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.464 7.050 17.438 1.00 0.00 H new ATOM 690 N ASN A 43 -8.367 8.178 15.908 1.00 0.00 N ATOM 691 CA ASN A 43 -7.371 7.232 15.479 1.00 0.00 C ATOM 692 C ASN A 43 -6.619 6.766 16.677 1.00 0.00 C ATOM 693 O ASN A 43 -6.383 7.520 17.618 1.00 0.00 O ATOM 694 CB ASN A 43 -6.358 7.726 14.420 1.00 0.00 C ATOM 695 CG ASN A 43 -5.587 8.952 14.910 1.00 0.00 C ATOM 696 OD1 ASN A 43 -6.162 10.020 15.148 1.00 0.00 O ATOM 697 ND2 ASN A 43 -4.236 8.776 15.038 1.00 0.00 N ATOM 0 H ASN A 43 -8.211 8.587 16.829 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.929 6.440 14.980 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.657 6.925 14.184 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.885 7.971 13.498 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.648 9.551 15.345 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.817 7.870 14.827 1.00 0.00 H new ATOM 704 N THR A 44 -6.239 5.477 16.644 1.00 0.00 N ATOM 705 CA THR A 44 -5.692 4.784 17.770 1.00 0.00 C ATOM 706 C THR A 44 -4.234 4.586 17.554 1.00 0.00 C ATOM 707 O THR A 44 -3.826 4.245 16.449 1.00 0.00 O ATOM 708 CB THR A 44 -6.360 3.441 17.883 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.750 3.663 18.024 1.00 0.00 O ATOM 710 CG2 THR A 44 -5.866 2.637 19.092 1.00 0.00 C ATOM 0 H THR A 44 -6.314 4.898 15.808 1.00 0.00 H new ATOM 0 HA THR A 44 -5.856 5.360 18.681 1.00 0.00 H new ATOM 0 HB THR A 44 -6.122 2.863 16.990 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.226 2.809 17.954 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.381 1.677 19.125 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.792 2.470 19.004 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.073 3.192 20.007 1.00 0.00 H new ATOM 718 N PHE A 45 -3.420 4.773 18.619 1.00 0.00 N ATOM 719 CA PHE A 45 -2.076 4.263 18.610 1.00 0.00 C ATOM 720 C PHE A 45 -2.047 3.008 19.431 1.00 0.00 C ATOM 721 O PHE A 45 -2.539 3.003 20.557 1.00 0.00 O ATOM 722 CB PHE A 45 -0.976 5.218 19.118 1.00 0.00 C ATOM 723 CG PHE A 45 -0.920 6.417 18.225 1.00 0.00 C ATOM 724 CD1 PHE A 45 -1.778 7.462 18.494 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.056 6.530 17.141 1.00 0.00 C ATOM 726 CE1 PHE A 45 -1.836 8.558 17.664 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.086 7.645 16.336 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.991 8.654 16.577 1.00 0.00 C ATOM 0 H PHE A 45 -3.686 5.268 19.470 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.835 4.100 17.560 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.186 5.522 20.143 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.012 4.710 19.127 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.412 7.420 19.367 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.644 5.736 16.929 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.546 9.347 17.864 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.605 7.729 15.510 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.039 9.512 15.922 1.00 0.00 H new ATOM 738 N ILE A 46 -1.475 1.903 18.877 1.00 0.00 N ATOM 739 CA ILE A 46 -1.486 0.626 19.522 1.00 0.00 C ATOM 740 C ILE A 46 -0.142 0.523 20.139 1.00 0.00 C ATOM 741 O ILE A 46 0.833 1.084 19.654 1.00 0.00 O ATOM 742 CB ILE A 46 -1.631 -0.510 18.529 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.947 -0.348 17.739 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.502 -1.902 19.191 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.068 -1.359 16.602 1.00 0.00 C ATOM 0 H ILE A 46 -1.003 1.907 17.973 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.318 0.551 20.223 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.801 -0.454 17.825 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.792 -0.465 18.417 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.002 0.662 17.332 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.614 -2.677 18.433 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.522 -1.992 19.660 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.279 -2.019 19.947 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.010 -1.204 16.076 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.239 -1.226 15.907 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.041 -2.370 17.009 1.00 0.00 H new ATOM 757 N HIS A 47 -0.102 -0.223 21.244 1.00 0.00 N ATOM 758 CA HIS A 47 1.047 -0.379 22.092 1.00 0.00 C ATOM 759 C HIS A 47 1.126 -1.793 22.532 1.00 0.00 C ATOM 760 O HIS A 47 0.103 -2.460 22.681 1.00 0.00 O ATOM 761 CB HIS A 47 0.936 0.351 23.431 1.00 0.00 C ATOM 762 CG HIS A 47 0.211 1.644 23.348 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.636 2.685 22.563 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.874 2.102 24.027 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.202 3.714 22.791 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.136 3.412 23.671 1.00 0.00 N ATOM 0 H HIS A 47 -0.911 -0.751 21.573 1.00 0.00 H new ATOM 0 HA HIS A 47 1.881 -0.005 21.499 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.427 -0.295 24.146 1.00 0.00 H new ATOM 0 HB3 HIS A 47 1.938 0.531 23.821 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.434 2.681 21.928 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.447 1.527 24.740 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.119 4.676 22.308 1.00 0.00 H new ATOM 774 N GLY A 48 2.355 -2.250 22.834 1.00 0.00 N ATOM 775 CA GLY A 48 2.528 -3.514 23.484 1.00 0.00 C ATOM 776 C GLY A 48 3.573 -4.239 22.731 1.00 0.00 C ATOM 777 O GLY A 48 4.687 -3.740 22.568 1.00 0.00 O ATOM 0 H GLY A 48 3.221 -1.751 22.631 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.825 -3.377 24.524 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.595 -4.077 23.490 1.00 0.00 H new ATOM 781 N ASN A 49 3.221 -5.454 22.271 1.00 0.00 N ATOM 782 CA ASN A 49 4.148 -6.291 21.580 1.00 0.00 C ATOM 783 C ASN A 49 3.892 -6.221 20.114 1.00 0.00 C ATOM 784 O ASN A 49 2.764 -6.292 19.627 1.00 0.00 O ATOM 785 CB ASN A 49 4.076 -7.757 22.015 1.00 0.00 C ATOM 786 CG ASN A 49 5.239 -8.043 22.963 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.053 -8.208 24.174 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.469 -8.117 22.366 1.00 0.00 N ATOM 0 H ASN A 49 2.290 -5.856 22.379 1.00 0.00 H new ATOM 0 HA ASN A 49 5.143 -5.920 21.827 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.126 -7.958 22.510 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.127 -8.412 21.145 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.297 -8.318 22.927 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.557 -7.971 21.360 1.00 0.00 H new ATOM 795 N LYS A 50 5.011 -6.097 19.377 1.00 0.00 N ATOM 796 CA LYS A 50 5.029 -6.016 17.950 1.00 0.00 C ATOM 797 C LYS A 50 4.922 -7.418 17.434 1.00 0.00 C ATOM 798 O LYS A 50 4.396 -7.661 16.347 1.00 0.00 O ATOM 799 CB LYS A 50 6.415 -5.538 17.462 1.00 0.00 C ATOM 800 CG LYS A 50 6.566 -4.137 16.848 1.00 0.00 C ATOM 801 CD LYS A 50 5.631 -3.796 15.680 1.00 0.00 C ATOM 802 CE LYS A 50 5.523 -4.883 14.613 1.00 0.00 C ATOM 803 NZ LYS A 50 6.844 -5.260 14.067 1.00 0.00 N ATOM 0 H LYS A 50 5.941 -6.051 19.793 1.00 0.00 H new ATOM 0 HA LYS A 50 4.234 -5.348 17.619 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.097 -5.597 18.311 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.765 -6.257 16.722 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.410 -3.401 17.636 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.595 -4.024 16.506 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.636 -3.594 16.076 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.980 -2.877 15.209 1.00 0.00 H new ATOM 0 HE2 LYS A 50 5.043 -5.763 15.040 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.883 -4.533 13.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.741 -5.536 13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.493 -4.450 14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.229 -6.059 14.610 1.00 0.00 H new ATOM 817 N ARG A 51 5.432 -8.384 18.231 1.00 0.00 N ATOM 818 CA ARG A 51 5.384 -9.777 17.889 1.00 0.00 C ATOM 819 C ARG A 51 3.974 -10.262 18.001 1.00 0.00 C ATOM 820 O ARG A 51 3.581 -11.178 17.284 1.00 0.00 O ATOM 821 CB ARG A 51 6.364 -10.665 18.702 1.00 0.00 C ATOM 822 CG ARG A 51 6.106 -10.795 20.216 1.00 0.00 C ATOM 823 CD ARG A 51 5.313 -12.033 20.672 1.00 0.00 C ATOM 824 NE ARG A 51 6.080 -13.267 20.318 1.00 0.00 N ATOM 825 CZ ARG A 51 6.975 -13.844 21.176 1.00 0.00 C ATOM 826 NH1 ARG A 51 7.218 -13.306 22.406 1.00 0.00 N ATOM 827 NH2 ARG A 51 7.639 -14.975 20.793 1.00 0.00 N ATOM 0 H ARG A 51 5.884 -8.193 19.125 1.00 0.00 H new ATOM 0 HA ARG A 51 5.727 -9.868 16.858 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.351 -11.666 18.270 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.371 -10.271 18.563 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.069 -10.799 20.727 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.571 -9.905 20.549 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.141 -11.993 21.748 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.334 -12.049 20.193 1.00 0.00 H new ATOM 0 HE ARG A 51 5.930 -13.694 19.404 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.729 -12.460 22.698 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.889 -13.750 23.033 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.465 -15.382 19.874 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.308 -15.412 21.426 1.00 0.00 H new ATOM 841 N SER A 52 3.188 -9.635 18.902 1.00 0.00 N ATOM 842 CA SER A 52 1.811 -9.920 19.083 1.00 0.00 C ATOM 843 C SER A 52 0.982 -9.315 18.003 1.00 0.00 C ATOM 844 O SER A 52 0.006 -9.959 17.632 1.00 0.00 O ATOM 845 CB SER A 52 1.277 -9.463 20.441 1.00 0.00 C ATOM 846 OG SER A 52 1.849 -10.253 21.472 1.00 0.00 O ATOM 0 H SER A 52 3.534 -8.904 19.523 1.00 0.00 H new ATOM 0 HA SER A 52 1.732 -11.006 19.040 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.516 -8.412 20.601 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.191 -9.550 20.463 1.00 0.00 H new ATOM 0 HG SER A 52 1.634 -9.859 22.343 1.00 0.00 H new ATOM 852 N ILE A 53 1.309 -8.089 17.489 1.00 0.00 N ATOM 853 CA ILE A 53 0.488 -7.478 16.454 1.00 0.00 C ATOM 854 C ILE A 53 0.537 -8.292 15.191 1.00 0.00 C ATOM 855 O ILE A 53 -0.500 -8.609 14.607 1.00 0.00 O ATOM 856 CB ILE A 53 0.685 -5.969 16.204 1.00 0.00 C ATOM 857 CG1 ILE A 53 -0.581 -5.303 15.630 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.846 -5.595 15.267 1.00 0.00 C ATOM 859 CD1 ILE A 53 -1.723 -5.300 16.630 1.00 0.00 C ATOM 0 H ILE A 53 2.116 -7.537 17.780 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.523 -7.502 16.860 1.00 0.00 H new ATOM 0 HB ILE A 53 0.922 -5.600 17.202 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.351 -4.278 15.338 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.891 -5.830 14.727 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.894 -4.511 15.161 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.784 -5.960 15.686 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.685 -6.048 14.289 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.595 -4.821 16.185 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.971 -6.326 16.902 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.424 -4.750 17.522 1.00 0.00 H new ATOM 871 N LYS A 54 1.764 -8.685 14.804 1.00 0.00 N ATOM 872 CA LYS A 54 2.028 -9.531 13.667 1.00 0.00 C ATOM 873 C LYS A 54 1.357 -10.870 13.829 1.00 0.00 C ATOM 874 O LYS A 54 0.734 -11.366 12.890 1.00 0.00 O ATOM 875 CB LYS A 54 3.526 -9.763 13.403 1.00 0.00 C ATOM 876 CG LYS A 54 3.807 -10.230 11.967 1.00 0.00 C ATOM 877 CD LYS A 54 5.301 -10.421 11.680 1.00 0.00 C ATOM 878 CE LYS A 54 5.603 -10.668 10.199 1.00 0.00 C ATOM 879 NZ LYS A 54 4.849 -11.838 9.695 1.00 0.00 N ATOM 0 H LYS A 54 2.611 -8.405 15.299 1.00 0.00 H new ATOM 0 HA LYS A 54 1.620 -8.995 12.810 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.072 -8.839 13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.904 -10.508 14.104 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.285 -11.170 11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.399 -9.501 11.267 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.844 -9.537 12.013 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.672 -11.262 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.341 -9.784 9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.672 -10.833 10.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.145 -12.048 8.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.041 -12.662 10.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.831 -11.627 9.709 1.00 0.00 H new ATOM 893 N ALA A 55 1.441 -11.461 15.049 1.00 0.00 N ATOM 894 CA ALA A 55 0.882 -12.750 15.366 1.00 0.00 C ATOM 895 C ALA A 55 -0.603 -12.756 15.606 1.00 0.00 C ATOM 896 O ALA A 55 -1.124 -13.773 16.065 1.00 0.00 O ATOM 897 CB ALA A 55 1.495 -13.366 16.631 1.00 0.00 C ATOM 0 H ALA A 55 1.915 -11.024 15.840 1.00 0.00 H new ATOM 0 HA ALA A 55 1.116 -13.325 14.470 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.037 -14.336 16.822 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.568 -13.493 16.490 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.316 -12.707 17.480 1.00 0.00 H new ATOM 903 N ILE A 56 -1.338 -11.657 15.289 1.00 0.00 N ATOM 904 CA ILE A 56 -2.772 -11.745 15.251 1.00 0.00 C ATOM 905 C ILE A 56 -3.109 -12.445 13.972 1.00 0.00 C ATOM 906 O ILE A 56 -4.056 -13.230 13.921 1.00 0.00 O ATOM 907 CB ILE A 56 -3.508 -10.414 15.306 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.091 -9.556 16.521 1.00 0.00 C ATOM 909 CG2 ILE A 56 -5.035 -10.649 15.333 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.149 -10.287 17.860 1.00 0.00 C ATOM 0 H ILE A 56 -0.951 -10.740 15.067 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.099 -12.274 16.146 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.233 -9.862 14.407 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.075 -9.193 16.363 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.738 -8.680 16.571 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.550 -9.689 15.372 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.336 -11.186 14.434 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.297 -11.238 16.212 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.840 -9.611 18.657 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.168 -10.626 18.046 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.480 -11.147 17.834 1.00 0.00 H new ATOM 922 N CYS A 57 -2.321 -12.169 12.910 1.00 0.00 N ATOM 923 CA CYS A 57 -2.663 -12.596 11.586 1.00 0.00 C ATOM 924 C CYS A 57 -1.996 -13.868 11.175 1.00 0.00 C ATOM 925 O CYS A 57 -2.166 -14.289 10.032 1.00 0.00 O ATOM 926 CB CYS A 57 -2.357 -11.539 10.526 1.00 0.00 C ATOM 927 SG CYS A 57 -3.302 -10.033 10.829 1.00 0.00 S ATOM 0 H CYS A 57 -1.446 -11.649 12.971 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.739 -12.764 11.640 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.291 -11.311 10.530 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.595 -11.930 9.537 1.00 0.00 H new ATOM 932 N GLU A 58 -1.250 -14.531 12.096 1.00 0.00 N ATOM 933 CA GLU A 58 -0.653 -15.809 11.802 1.00 0.00 C ATOM 934 C GLU A 58 -1.315 -16.835 12.629 1.00 0.00 C ATOM 935 O GLU A 58 -0.813 -17.941 12.824 1.00 0.00 O ATOM 936 CB GLU A 58 0.850 -15.895 12.115 1.00 0.00 C ATOM 937 CG GLU A 58 1.605 -14.607 11.789 1.00 0.00 C ATOM 938 CD GLU A 58 3.079 -14.808 12.103 1.00 0.00 C ATOM 939 OE1 GLU A 58 3.404 -15.041 13.299 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.902 -14.725 11.152 1.00 0.00 O ATOM 0 H GLU A 58 -1.063 -14.183 13.036 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.779 -15.959 10.730 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.982 -16.129 13.171 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.286 -16.718 11.549 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.475 -14.350 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.205 -13.778 12.372 1.00 0.00 H new ATOM 947 N ASN A 59 -2.495 -16.406 13.090 1.00 0.00 N ATOM 948 CA ASN A 59 -3.405 -16.962 14.061 1.00 0.00 C ATOM 949 C ASN A 59 -2.769 -17.739 15.184 1.00 0.00 C ATOM 950 O ASN A 59 -3.228 -18.831 15.520 1.00 0.00 O ATOM 951 CB ASN A 59 -4.592 -17.735 13.428 1.00 0.00 C ATOM 952 CG ASN A 59 -4.140 -18.814 12.437 1.00 0.00 C ATOM 953 OD1 ASN A 59 -3.675 -19.898 12.807 1.00 0.00 O ATOM 954 ND2 ASN A 59 -4.312 -18.488 11.118 1.00 0.00 N ATOM 0 H ASN A 59 -2.875 -15.532 12.727 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.814 -16.071 14.537 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.180 -18.199 14.220 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.247 -17.030 12.916 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.052 -19.154 10.390 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.700 -17.580 10.864 1.00 0.00 H new ATOM 961 N LYS A 60 -1.712 -17.175 15.819 1.00 0.00 N ATOM 962 CA LYS A 60 -1.201 -17.754 17.034 1.00 0.00 C ATOM 963 C LYS A 60 -2.096 -17.280 18.123 1.00 0.00 C ATOM 964 O LYS A 60 -2.729 -18.071 18.820 1.00 0.00 O ATOM 965 CB LYS A 60 0.222 -17.328 17.446 1.00 0.00 C ATOM 966 CG LYS A 60 1.363 -18.168 16.852 1.00 0.00 C ATOM 967 CD LYS A 60 1.597 -17.958 15.354 1.00 0.00 C ATOM 968 CE LYS A 60 2.824 -18.712 14.835 1.00 0.00 C ATOM 969 NZ LYS A 60 2.999 -18.470 13.386 1.00 0.00 N ATOM 0 H LYS A 60 -1.223 -16.339 15.500 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.165 -18.830 16.866 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.370 -16.288 17.154 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.294 -17.367 18.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.284 -17.935 17.386 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.150 -19.222 17.029 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.715 -18.285 14.804 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.719 -16.893 15.156 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.714 -18.388 15.375 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.709 -19.780 15.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.835 -18.987 13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.156 -18.800 12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.129 -17.452 13.217 1.00 0.00 H new ATOM 983 N ASN A 61 -2.132 -15.948 18.276 1.00 0.00 N ATOM 984 CA ASN A 61 -2.898 -15.290 19.288 1.00 0.00 C ATOM 985 C ASN A 61 -3.896 -14.416 18.596 1.00 0.00 C ATOM 986 O ASN A 61 -3.880 -13.196 18.725 1.00 0.00 O ATOM 987 CB ASN A 61 -2.034 -14.495 20.301 1.00 0.00 C ATOM 988 CG ASN A 61 -0.765 -13.907 19.673 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.247 -14.598 19.497 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.818 -12.574 19.386 1.00 0.00 N ATOM 0 H ASN A 61 -1.612 -15.306 17.677 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.400 -16.041 19.898 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.631 -13.687 20.724 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.755 -15.151 21.125 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.002 -12.101 19.007 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.678 -12.051 19.550 1.00 0.00 H new ATOM 997 N GLY A 62 -4.830 -15.043 17.855 1.00 0.00 N ATOM 998 CA GLY A 62 -5.908 -14.297 17.279 1.00 0.00 C ATOM 999 C GLY A 62 -6.832 -15.271 16.624 1.00 0.00 C ATOM 1000 O GLY A 62 -6.408 -16.309 16.118 1.00 0.00 O ATOM 0 H GLY A 62 -4.841 -16.044 17.658 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.433 -13.728 18.046 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.531 -13.578 16.551 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.139 -14.935 16.651 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.207 -15.773 16.187 1.00 0.00 C ATOM 1006 C ASN A 63 -9.612 -15.243 14.847 1.00 0.00 C ATOM 1007 O ASN A 63 -9.258 -14.104 14.557 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.449 -15.636 17.086 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.018 -15.793 18.539 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.526 -16.850 18.953 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.214 -14.688 19.322 1.00 0.00 N ATOM 0 H ASN A 63 -8.465 -14.039 17.013 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.871 -16.810 16.175 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.920 -14.665 16.934 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.189 -16.393 16.827 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.949 -14.707 20.307 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.625 -13.845 18.921 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.349 -15.965 14.017 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.997 -15.402 12.864 1.00 0.00 C ATOM 1020 C PRO A 64 -12.135 -14.565 13.369 1.00 0.00 C ATOM 1021 O PRO A 64 -12.778 -14.933 14.353 1.00 0.00 O ATOM 1022 CB PRO A 64 -11.503 -16.606 12.066 1.00 0.00 C ATOM 1023 CG PRO A 64 -11.602 -17.744 13.087 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.500 -17.409 14.092 1.00 0.00 C ATOM 0 HA PRO A 64 -10.355 -14.778 12.243 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.471 -16.399 11.610 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.818 -16.860 11.257 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.583 -17.775 13.561 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.441 -18.717 12.622 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.774 -17.725 15.098 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.569 -17.917 13.841 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.394 -13.432 12.684 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.431 -12.524 13.074 1.00 0.00 C ATOM 1034 C HIS A 65 -14.134 -12.142 11.827 1.00 0.00 C ATOM 1035 O HIS A 65 -14.639 -11.031 11.669 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.851 -11.280 13.779 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.843 -10.266 14.257 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.650 -10.466 15.343 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.109 -9.027 13.782 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.384 -9.376 15.521 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.075 -8.487 14.586 1.00 0.00 N ATOM 0 H HIS A 65 -11.879 -13.144 11.852 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.110 -12.991 13.787 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.264 -11.614 14.635 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.162 -10.788 13.093 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.646 -8.554 12.929 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.116 -9.235 16.302 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.487 -7.560 14.484 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.179 -13.138 10.925 1.00 0.00 N ATOM 1051 CA ARG A 66 -14.796 -13.154 9.612 1.00 0.00 C ATOM 1052 C ARG A 66 -14.240 -12.142 8.641 1.00 0.00 C ATOM 1053 O ARG A 66 -13.669 -11.130 9.022 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.337 -13.011 9.633 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.048 -13.964 10.612 1.00 0.00 C ATOM 1056 CD ARG A 66 -16.773 -15.453 10.358 1.00 0.00 C ATOM 1057 NE ARG A 66 -17.403 -16.243 11.460 1.00 0.00 N ATOM 1058 CZ ARG A 66 -16.737 -16.524 12.622 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -15.466 -16.076 12.832 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -17.359 -17.262 13.589 1.00 0.00 N ATOM 0 H ARG A 66 -13.737 -14.034 11.130 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.536 -14.151 9.258 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.591 -11.984 9.895 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.721 -13.188 8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.740 -13.718 11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.122 -13.790 10.554 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.181 -15.755 9.393 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.700 -15.640 10.323 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.358 -16.583 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.996 -15.521 12.116 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.986 -16.295 13.705 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.311 -17.598 13.441 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.872 -17.477 14.459 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.428 -12.419 7.333 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.085 -11.602 6.188 1.00 0.00 C ATOM 1076 C GLU A 67 -12.645 -11.145 6.172 1.00 0.00 C ATOM 1077 O GLU A 67 -12.371 -9.968 5.937 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.040 -10.394 6.042 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.169 -9.852 4.611 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.140 -8.681 4.639 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.328 -8.900 4.995 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -15.703 -7.548 4.301 1.00 0.00 O ATOM 0 H GLU A 67 -14.861 -13.297 7.045 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.209 -12.256 5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.029 -10.684 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.691 -9.591 6.691 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.197 -9.532 4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.530 -10.631 3.939 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.700 -12.089 6.430 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.268 -11.895 6.593 1.00 0.00 C ATOM 1091 C ASN A 68 -9.898 -10.821 7.590 1.00 0.00 C ATOM 1092 O ASN A 68 -8.959 -10.055 7.384 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.428 -11.802 5.280 1.00 0.00 C ATOM 1094 CG ASN A 68 -9.866 -10.696 4.306 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -10.686 -10.943 3.412 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -9.287 -9.470 4.472 1.00 0.00 N ATOM 0 H ASN A 68 -11.958 -13.070 6.533 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.966 -12.846 7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.383 -11.639 5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.480 -12.761 4.764 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.525 -8.704 3.842 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.617 -9.320 5.226 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.635 -10.767 8.718 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.388 -9.843 9.787 1.00 0.00 C ATOM 1105 C LEU A 69 -10.079 -10.775 10.893 1.00 0.00 C ATOM 1106 O LEU A 69 -10.532 -11.916 10.851 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.629 -9.025 10.202 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.266 -8.211 9.053 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.760 -7.929 9.304 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.468 -6.935 8.742 1.00 0.00 C ATOM 0 H LEU A 69 -11.427 -11.385 8.892 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.630 -9.108 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.378 -9.704 10.609 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.348 -8.342 11.004 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.218 -8.830 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.167 -7.355 8.472 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.299 -8.873 9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.873 -7.360 10.227 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.951 -6.393 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.433 -6.302 9.629 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.453 -7.203 8.448 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.294 -10.338 11.898 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.940 -11.227 12.966 1.00 0.00 C ATOM 1124 C ARG A 70 -8.847 -10.410 14.200 1.00 0.00 C ATOM 1125 O ARG A 70 -8.113 -9.420 14.259 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.604 -11.981 12.802 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.642 -13.068 11.716 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.483 -14.058 11.800 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.545 -14.950 10.603 1.00 0.00 N ATOM 1130 CZ ARG A 70 -7.188 -16.156 10.621 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -7.785 -16.616 11.757 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -7.226 -16.914 9.486 1.00 0.00 N ATOM 0 H ARG A 70 -8.913 -9.395 11.972 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.710 -11.998 12.987 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.819 -11.264 12.560 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.335 -12.439 13.754 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.582 -13.615 11.794 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.631 -12.591 10.736 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.531 -13.528 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.550 -14.645 12.716 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.091 -14.648 9.741 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.756 -16.058 12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.261 -17.518 11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.777 -16.579 8.634 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.704 -17.815 9.490 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.617 -10.849 15.219 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.661 -10.208 16.494 1.00 0.00 C ATOM 1148 C ILE A 71 -8.605 -10.873 17.308 1.00 0.00 C ATOM 1149 O ILE A 71 -8.374 -12.072 17.182 1.00 0.00 O ATOM 1150 CB ILE A 71 -11.036 -10.282 17.156 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.127 -9.358 18.394 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.445 -11.737 17.473 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -12.561 -9.125 18.874 1.00 0.00 C ATOM 0 H ILE A 71 -10.221 -11.668 15.150 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.479 -9.138 16.396 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.763 -9.908 16.435 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -10.546 -9.794 19.207 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.671 -8.397 18.155 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.429 -11.744 17.943 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.480 -12.315 16.549 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.716 -12.180 18.151 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.551 -8.469 19.744 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -13.141 -8.661 18.076 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.014 -10.079 19.144 1.00 0.00 H new ATOM 1165 N SER A 72 -7.924 -10.084 18.150 1.00 0.00 N ATOM 1166 CA SER A 72 -6.826 -10.571 18.931 1.00 0.00 C ATOM 1167 C SER A 72 -7.269 -11.296 20.164 1.00 0.00 C ATOM 1168 O SER A 72 -8.372 -11.096 20.670 1.00 0.00 O ATOM 1169 CB SER A 72 -5.934 -9.419 19.400 1.00 0.00 C ATOM 1170 OG SER A 72 -6.665 -8.490 20.177 1.00 0.00 O ATOM 0 H SER A 72 -8.134 -9.096 18.294 1.00 0.00 H new ATOM 0 HA SER A 72 -6.288 -11.254 18.274 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.104 -9.814 19.986 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.503 -8.914 18.536 1.00 0.00 H new ATOM 0 HG SER A 72 -6.047 -7.856 20.596 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.357 -12.151 20.677 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.494 -12.798 21.951 1.00 0.00 C ATOM 1178 C LYS A 73 -5.509 -12.162 22.875 1.00 0.00 C ATOM 1179 O LYS A 73 -5.646 -12.267 24.093 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.123 -14.294 21.929 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.275 -15.236 21.550 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.313 -15.368 22.678 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.379 -16.445 22.442 1.00 0.00 C ATOM 1184 NZ LYS A 73 -8.759 -17.780 22.297 1.00 0.00 N ATOM 0 H LYS A 73 -5.497 -12.399 20.188 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.538 -12.700 22.248 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.305 -14.441 21.224 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.750 -14.576 22.914 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.765 -14.865 20.650 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.873 -16.221 21.311 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.792 -15.589 23.609 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.810 -14.407 22.811 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.082 -16.455 23.275 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.951 -16.206 21.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.492 -18.514 22.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.298 -17.850 21.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.050 -17.917 23.046 1.00 0.00 H new ATOM 1198 N SER A 74 -4.482 -11.498 22.303 1.00 0.00 N ATOM 1199 CA SER A 74 -3.430 -10.885 23.054 1.00 0.00 C ATOM 1200 C SER A 74 -3.716 -9.427 23.002 1.00 0.00 C ATOM 1201 O SER A 74 -3.163 -8.708 22.174 1.00 0.00 O ATOM 1202 CB SER A 74 -2.030 -11.150 22.474 1.00 0.00 C ATOM 1203 OG SER A 74 -1.039 -10.506 23.261 1.00 0.00 O ATOM 0 H SER A 74 -4.383 -11.386 21.294 1.00 0.00 H new ATOM 0 HA SER A 74 -3.411 -11.295 24.064 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.839 -12.223 22.443 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.980 -10.788 21.447 1.00 0.00 H new ATOM 0 HG SER A 74 -0.153 -10.684 22.882 1.00 0.00 H new ATOM 1209 N SER A 75 -4.621 -9.005 23.905 1.00 0.00 N ATOM 1210 CA SER A 75 -5.073 -7.652 24.114 1.00 0.00 C ATOM 1211 C SER A 75 -3.937 -6.694 24.312 1.00 0.00 C ATOM 1212 O SER A 75 -3.000 -6.936 25.073 1.00 0.00 O ATOM 1213 CB SER A 75 -6.010 -7.525 25.328 1.00 0.00 C ATOM 1214 OG SER A 75 -5.397 -8.071 26.487 1.00 0.00 O ATOM 0 H SER A 75 -5.075 -9.659 24.542 1.00 0.00 H new ATOM 0 HA SER A 75 -5.615 -7.398 23.203 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.255 -6.477 25.498 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.948 -8.043 25.127 1.00 0.00 H new ATOM 0 HG SER A 75 -5.095 -7.344 27.071 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.021 -5.572 23.571 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.966 -4.612 23.445 1.00 0.00 C ATOM 1222 C PHE A 76 -3.360 -3.420 24.217 1.00 0.00 C ATOM 1223 O PHE A 76 -4.541 -3.210 24.488 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.805 -4.092 22.005 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.395 -5.195 21.101 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.364 -5.994 20.536 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -1.062 -5.422 20.800 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -3.011 -7.044 19.735 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.703 -6.471 19.974 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.686 -7.297 19.471 1.00 0.00 C ATOM 0 H PHE A 76 -4.856 -5.324 23.040 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.048 -5.098 23.775 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.745 -3.660 21.660 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.060 -3.296 21.980 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.407 -5.790 20.727 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.300 -4.777 21.212 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.775 -7.677 19.308 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.334 -6.641 19.726 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.413 -8.149 18.865 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.353 -2.591 24.558 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.626 -1.306 25.110 1.00 0.00 C ATOM 1242 C GLN A 77 -2.964 -0.458 23.951 1.00 0.00 C ATOM 1243 O GLN A 77 -2.418 -0.624 22.866 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.428 -0.665 25.910 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.771 -1.090 27.281 1.00 0.00 C ATOM 1246 CD GLN A 77 -1.244 -0.124 28.365 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -0.947 1.076 28.322 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.999 -0.680 29.362 1.00 0.00 N ATOM 0 H GLN A 77 -1.363 -2.811 24.451 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.425 -1.394 25.846 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.600 -0.659 25.201 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.726 0.373 26.061 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.052 -2.112 27.535 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.316 -1.069 27.203 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.212 -1.677 29.344 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.349 -0.097 30.123 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.910 0.467 24.160 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.451 1.228 23.083 1.00 0.00 C ATOM 1259 C VAL A 78 -4.674 2.577 23.686 1.00 0.00 C ATOM 1260 O VAL A 78 -5.062 2.680 24.847 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.734 0.563 22.602 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.928 1.517 22.382 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.343 -0.224 21.339 1.00 0.00 C ATOM 0 H VAL A 78 -4.301 0.689 25.075 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.812 1.299 22.203 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.123 -0.091 23.382 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.792 0.946 22.040 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.171 2.017 23.319 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.665 2.262 21.631 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.222 -0.729 20.939 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.947 0.462 20.591 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.583 -0.963 21.592 1.00 0.00 H new ATOM 1273 N THR A 79 -4.424 3.651 22.913 1.00 0.00 N ATOM 1274 CA THR A 79 -4.814 4.970 23.317 1.00 0.00 C ATOM 1275 C THR A 79 -5.496 5.522 22.119 1.00 0.00 C ATOM 1276 O THR A 79 -4.843 5.889 21.142 1.00 0.00 O ATOM 1277 CB THR A 79 -3.677 5.865 23.758 1.00 0.00 C ATOM 1278 OG1 THR A 79 -3.094 5.345 24.943 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.184 7.282 24.076 1.00 0.00 C ATOM 0 H THR A 79 -3.953 3.607 22.010 1.00 0.00 H new ATOM 0 HA THR A 79 -5.443 4.922 24.206 1.00 0.00 H new ATOM 0 HB THR A 79 -2.951 5.905 22.946 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.414 4.679 24.708 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.347 7.906 24.391 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.643 7.712 23.186 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.922 7.233 24.877 1.00 0.00 H new ATOM 1287 N THR A 80 -6.844 5.581 22.180 1.00 0.00 N ATOM 1288 CA THR A 80 -7.631 6.086 21.095 1.00 0.00 C ATOM 1289 C THR A 80 -7.705 7.563 21.277 1.00 0.00 C ATOM 1290 O THR A 80 -8.427 8.053 22.140 1.00 0.00 O ATOM 1291 CB THR A 80 -9.022 5.503 21.059 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.929 4.086 21.044 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.774 5.978 19.803 1.00 0.00 C ATOM 0 H THR A 80 -7.389 5.276 22.987 1.00 0.00 H new ATOM 0 HA THR A 80 -7.165 5.807 20.150 1.00 0.00 H new ATOM 0 HB THR A 80 -9.570 5.835 21.941 1.00 0.00 H new ATOM 0 HG1 THR A 80 -8.581 3.790 20.177 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.775 5.548 19.794 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.847 7.066 19.812 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.233 5.658 18.912 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.947 8.303 20.446 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.933 9.729 20.517 1.00 0.00 C ATOM 1303 C CYS A 81 -8.052 10.205 19.654 1.00 0.00 C ATOM 1304 O CYS A 81 -8.028 10.066 18.432 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.633 10.353 20.005 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.165 9.683 20.839 1.00 0.00 S ATOM 0 H CYS A 81 -6.343 7.911 19.724 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.030 10.024 21.562 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.548 10.180 18.932 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.669 11.432 20.152 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.072 10.764 20.319 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.316 11.130 19.716 1.00 0.00 C ATOM 1313 C LYS A 82 -10.302 12.617 19.761 1.00 0.00 C ATOM 1314 O LYS A 82 -9.994 13.184 20.805 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.486 10.557 20.551 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.911 10.976 20.143 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.534 12.123 20.965 1.00 0.00 C ATOM 1318 CE LYS A 82 -13.757 11.795 22.446 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.369 12.954 23.132 1.00 0.00 N ATOM 0 H LYS A 82 -9.032 10.971 21.317 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.442 10.749 18.703 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.429 9.469 20.511 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.333 10.846 21.591 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.896 11.272 19.094 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.562 10.105 20.219 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.887 12.998 20.893 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.490 12.396 20.518 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.403 10.922 22.541 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.808 11.541 22.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.793 12.642 24.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.639 13.669 23.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.106 13.367 22.526 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.614 13.276 18.620 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.566 14.708 18.488 1.00 0.00 C ATOM 1335 C LEU A 83 -11.662 15.306 19.303 1.00 0.00 C ATOM 1336 O LEU A 83 -12.844 15.056 19.068 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.786 15.137 17.018 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.555 16.625 16.668 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.085 16.898 16.320 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -11.458 17.036 15.491 1.00 0.00 C ATOM 0 H LEU A 83 -10.907 12.799 17.767 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.586 15.049 18.823 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.127 14.537 16.390 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.809 14.881 16.742 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.809 17.219 17.546 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.958 17.953 16.079 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.456 16.642 17.172 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.796 16.292 15.461 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.288 18.086 15.252 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.223 16.423 14.621 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -12.503 16.891 15.766 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.253 16.114 20.299 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.156 16.692 21.241 1.00 0.00 C ATOM 1354 C HIS A 84 -11.814 18.141 21.287 1.00 0.00 C ATOM 1355 O HIS A 84 -11.252 18.642 22.261 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.987 16.054 22.627 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.931 16.560 23.674 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -14.290 16.456 23.562 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -12.669 17.121 24.877 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.837 16.945 24.667 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -13.874 17.355 25.482 1.00 0.00 N ATOM 0 H HIS A 84 -10.277 16.369 20.451 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.194 16.530 20.949 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.116 14.976 22.533 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.965 16.224 22.967 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.693 17.342 25.283 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.896 17.000 24.870 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.009 17.773 26.402 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.153 18.850 20.198 1.00 0.00 N ATOM 1371 CA GLY A 85 -11.896 20.253 20.114 1.00 0.00 C ATOM 1372 C GLY A 85 -12.734 20.734 18.989 1.00 0.00 C ATOM 1373 O GLY A 85 -13.420 21.749 19.095 1.00 0.00 O ATOM 0 H GLY A 85 -12.605 18.452 19.375 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.158 20.758 21.044 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.840 20.450 19.931 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.681 19.974 17.880 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.453 20.258 16.706 1.00 0.00 C ATOM 1379 C GLY A 86 -12.688 21.210 15.852 1.00 0.00 C ATOM 1380 O GLY A 86 -13.270 22.091 15.222 1.00 0.00 O ATOM 0 H GLY A 86 -12.091 19.146 17.795 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.659 19.339 16.157 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.416 20.687 16.981 1.00 0.00 H new ATOM 1384 N SER A 87 -11.356 21.028 15.823 1.00 0.00 N ATOM 1385 CA SER A 87 -10.476 21.784 14.980 1.00 0.00 C ATOM 1386 C SER A 87 -10.110 20.870 13.840 1.00 0.00 C ATOM 1387 O SER A 87 -9.574 19.797 14.109 1.00 0.00 O ATOM 1388 CB SER A 87 -9.192 22.215 15.712 1.00 0.00 C ATOM 1389 OG SER A 87 -8.661 21.142 16.476 1.00 0.00 O ATOM 0 H SER A 87 -10.876 20.338 16.400 1.00 0.00 H new ATOM 0 HA SER A 87 -10.972 22.698 14.652 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.451 22.553 14.987 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.407 23.061 16.365 1.00 0.00 H new ATOM 0 HG SER A 87 -8.866 20.292 16.033 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.349 21.204 12.575 1.00 0.00 N ATOM 1396 CA PRO A 88 -9.921 20.363 11.490 1.00 0.00 C ATOM 1397 C PRO A 88 -8.488 20.670 11.184 1.00 0.00 C ATOM 1398 O PRO A 88 -7.857 19.853 10.523 1.00 0.00 O ATOM 1399 CB PRO A 88 -10.762 20.789 10.284 1.00 0.00 C ATOM 1400 CG PRO A 88 -11.962 21.524 10.881 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.390 22.129 12.161 1.00 0.00 C ATOM 0 HA PRO A 88 -10.030 19.304 11.726 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.195 21.437 9.616 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.079 19.926 9.699 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.342 22.291 10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.789 20.845 11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.986 23.125 11.981 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.158 22.230 12.928 1.00 0.00 H new ATOM 1409 N TRP A 89 -7.985 21.852 11.595 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.723 22.347 11.138 1.00 0.00 C ATOM 1411 C TRP A 89 -5.761 22.315 12.286 1.00 0.00 C ATOM 1412 O TRP A 89 -6.227 22.292 13.424 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.877 23.784 10.611 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.909 23.831 9.512 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.160 24.378 9.532 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.787 23.133 8.260 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.816 24.083 8.362 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -8.989 23.307 7.576 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.768 22.389 7.733 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.189 22.736 6.352 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.979 21.793 6.508 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.169 21.965 5.827 1.00 0.00 C ATOM 0 H TRP A 89 -8.461 22.470 12.252 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.350 21.726 10.324 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.172 24.447 11.424 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.920 24.146 10.236 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.572 24.956 10.346 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.758 24.387 8.115 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.831 22.272 8.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.113 22.882 5.812 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.202 21.182 6.074 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.305 21.488 4.867 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.447 22.306 12.054 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.472 22.147 13.099 1.00 0.00 C ATOM 1435 C PRO A 90 -3.395 23.441 13.881 1.00 0.00 C ATOM 1436 O PRO A 90 -3.548 24.484 13.246 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.139 21.907 12.378 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.385 22.317 10.925 1.00 0.00 C ATOM 1439 CD PRO A 90 -3.872 22.033 10.749 1.00 0.00 C ATOM 0 HA PRO A 90 -3.715 21.334 13.783 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.339 22.499 12.823 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.838 20.862 12.446 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.150 23.368 10.754 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.776 21.737 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.310 22.670 9.980 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.047 21.001 10.446 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.139 23.471 15.184 1.00 0.00 N ATOM 1448 CA PRO A 91 -2.927 22.321 16.021 1.00 0.00 C ATOM 1449 C PRO A 91 -4.256 21.770 16.413 1.00 0.00 C ATOM 1450 O PRO A 91 -5.283 22.431 16.260 1.00 0.00 O ATOM 1451 CB PRO A 91 -2.244 22.837 17.279 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.662 24.186 16.872 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.627 24.679 15.795 1.00 0.00 C ATOM 0 HA PRO A 91 -2.339 21.555 15.515 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.953 22.942 18.101 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.464 22.154 17.616 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.616 24.875 17.716 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.647 24.086 16.487 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.430 25.277 16.226 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.118 25.308 15.064 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.213 20.539 16.937 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.389 19.776 17.220 1.00 0.00 C ATOM 1463 C CYS A 92 -5.485 19.627 18.697 1.00 0.00 C ATOM 1464 O CYS A 92 -4.477 19.714 19.396 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.305 18.347 16.670 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.697 18.269 14.963 1.00 0.00 S ATOM 0 H CYS A 92 -3.344 20.059 17.171 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.234 20.294 16.766 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.648 17.757 17.309 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.293 17.888 16.718 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.711 19.359 19.193 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.901 18.927 20.547 1.00 0.00 C ATOM 1473 C GLN A 93 -7.351 17.521 20.463 1.00 0.00 C ATOM 1474 O GLN A 93 -8.207 17.180 19.649 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.986 19.684 21.322 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.590 21.121 21.666 1.00 0.00 C ATOM 1477 CD GLN A 93 -6.380 21.109 22.601 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -6.416 20.523 23.689 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -5.285 21.789 22.145 1.00 0.00 N ATOM 0 H GLN A 93 -7.573 19.442 18.654 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.963 19.093 21.076 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.902 19.698 20.732 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.208 19.145 22.243 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.353 21.672 20.756 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.425 21.635 22.142 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.315 22.254 21.238 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.438 21.832 22.712 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.761 16.678 21.327 1.00 0.00 N ATOM 1489 CA TYR A 94 -7.076 15.279 21.357 1.00 0.00 C ATOM 1490 C TYR A 94 -7.279 14.872 22.766 1.00 0.00 C ATOM 1491 O TYR A 94 -6.380 15.004 23.592 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.965 14.353 20.835 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.863 14.476 19.363 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.918 14.034 18.601 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.748 15.003 18.743 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.915 14.185 17.237 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.734 15.148 17.371 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.830 14.769 16.623 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.812 14.924 15.225 1.00 0.00 O ATOM 0 H TYR A 94 -6.060 16.965 22.011 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.950 15.172 20.715 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.013 14.614 21.298 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.180 13.320 21.109 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.761 13.561 19.082 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.891 15.300 19.329 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.757 13.848 16.650 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.863 15.559 16.881 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.244 14.232 14.826 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.476 14.323 23.042 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.764 13.693 24.300 1.00 0.00 C ATOM 1511 C ARG A 95 -8.373 12.258 24.155 1.00 0.00 C ATOM 1512 O ARG A 95 -8.846 11.572 23.251 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.261 13.758 24.663 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.635 13.140 26.017 1.00 0.00 C ATOM 1515 CD ARG A 95 -12.115 13.360 26.352 1.00 0.00 C ATOM 1516 NE ARG A 95 -12.390 12.754 27.689 1.00 0.00 N ATOM 1517 CZ ARG A 95 -12.260 13.463 28.851 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -11.865 14.769 28.838 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -12.528 12.852 30.044 1.00 0.00 N ATOM 0 H ARG A 95 -9.257 14.315 22.385 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.218 14.207 25.091 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.574 14.802 24.660 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.830 13.253 23.882 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.421 12.071 26.001 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -10.016 13.578 26.800 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -12.347 14.425 26.363 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.748 12.904 25.591 1.00 0.00 H new ATOM 0 HE ARG A 95 -12.685 11.779 27.737 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.661 15.231 27.952 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.773 15.283 29.714 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.822 11.875 30.062 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.434 13.373 30.916 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.505 11.776 25.067 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.113 10.397 25.078 1.00 0.00 C ATOM 1535 C ALA A 96 -8.170 9.599 25.763 1.00 0.00 C ATOM 1536 O ALA A 96 -8.496 9.842 26.923 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.823 10.142 25.864 1.00 0.00 C ATOM 0 H ALA A 96 -7.074 12.342 25.798 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.961 10.116 24.036 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.582 9.079 25.833 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.007 10.712 25.419 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.960 10.453 26.900 1.00 0.00 H new ATOM 1543 N THR A 97 -8.709 8.605 25.031 1.00 0.00 N ATOM 1544 CA THR A 97 -9.640 7.649 25.553 1.00 0.00 C ATOM 1545 C THR A 97 -8.905 6.349 25.464 1.00 0.00 C ATOM 1546 O THR A 97 -8.984 5.641 24.462 1.00 0.00 O ATOM 1547 CB THR A 97 -10.925 7.604 24.759 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.463 8.915 24.668 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.951 6.687 25.451 1.00 0.00 C ATOM 0 H THR A 97 -8.490 8.462 24.045 1.00 0.00 H new ATOM 0 HA THR A 97 -9.951 7.897 26.568 1.00 0.00 H new ATOM 0 HB THR A 97 -10.712 7.213 23.764 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.296 8.892 24.152 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.871 6.665 24.867 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.545 5.678 25.526 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.164 7.068 26.450 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.138 6.028 26.524 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.259 4.898 26.488 1.00 0.00 C ATOM 1559 C ALA A 98 -7.928 3.712 27.094 1.00 0.00 C ATOM 1560 O ALA A 98 -8.653 3.829 28.082 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.945 5.149 27.236 1.00 0.00 C ATOM 0 H ALA A 98 -8.126 6.548 27.401 1.00 0.00 H new ATOM 0 HA ALA A 98 -7.025 4.719 25.439 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.317 4.260 27.177 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.424 5.992 26.783 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.158 5.373 28.281 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.671 2.531 26.494 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.200 1.292 26.980 1.00 0.00 C ATOM 1569 C GLY A 99 -7.103 0.282 26.891 1.00 0.00 C ATOM 1570 O GLY A 99 -5.976 0.597 26.519 1.00 0.00 O ATOM 0 H GLY A 99 -7.089 2.436 25.662 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.544 1.397 28.009 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -9.060 0.981 26.386 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.425 -0.972 27.249 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.503 -2.061 27.132 1.00 0.00 C ATOM 1576 C PHE A 100 -7.388 -3.165 26.658 1.00 0.00 C ATOM 1577 O PHE A 100 -8.105 -3.781 27.446 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.814 -2.402 28.472 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.845 -3.528 28.316 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.606 -3.327 27.734 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.157 -4.785 28.804 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.718 -4.375 27.605 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.262 -5.828 28.690 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.041 -5.627 28.082 1.00 0.00 C ATOM 0 H PHE A 100 -8.336 -1.236 27.625 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.667 -1.850 26.465 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.294 -1.522 28.849 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.568 -2.669 29.213 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.332 -2.344 27.379 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.112 -4.951 29.280 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.763 -4.213 27.127 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.518 -6.803 29.077 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.343 -6.445 27.980 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.395 -3.397 25.329 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.431 -4.186 24.731 1.00 0.00 C ATOM 1596 C ARG A 101 -7.940 -4.714 23.428 1.00 0.00 C ATOM 1597 O ARG A 101 -6.809 -4.470 23.016 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.745 -3.402 24.505 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.624 -2.227 23.523 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.895 -1.379 23.447 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.033 -2.241 23.021 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.295 -1.722 22.970 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -13.506 -0.402 23.240 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.349 -2.528 22.650 1.00 0.00 N ATOM 0 H ARG A 101 -6.694 -3.044 24.678 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.664 -4.994 25.425 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.505 -4.090 24.136 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.097 -3.023 25.464 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -8.789 -1.594 23.823 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.391 -2.613 22.530 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.106 -0.931 24.418 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.759 -0.560 22.741 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.870 -3.216 22.768 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -12.720 0.201 23.481 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.450 -0.018 23.201 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.193 -3.516 22.450 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.293 -2.142 22.611 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.833 -5.468 22.767 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.538 -6.186 21.560 1.00 0.00 C ATOM 1620 C ASN A 102 -8.572 -5.281 20.377 1.00 0.00 C ATOM 1621 O ASN A 102 -9.369 -4.346 20.297 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.575 -7.279 21.244 1.00 0.00 C ATOM 1623 CG ASN A 102 -9.488 -8.425 22.252 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -8.507 -8.582 22.988 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -10.565 -9.270 22.246 1.00 0.00 N ATOM 0 H ASN A 102 -9.796 -5.585 23.081 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.553 -6.620 21.733 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.577 -6.850 21.261 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -9.409 -7.662 20.237 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.584 -10.077 22.870 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.349 -9.093 21.617 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.694 -5.609 19.410 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.670 -4.994 18.114 1.00 0.00 C ATOM 1634 C VAL A 103 -8.386 -5.960 17.227 1.00 0.00 C ATOM 1635 O VAL A 103 -8.359 -7.159 17.488 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.263 -4.777 17.573 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.544 -3.727 18.440 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.464 -6.095 17.528 1.00 0.00 C ATOM 0 H VAL A 103 -6.978 -6.325 19.532 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.124 -4.004 18.162 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.334 -4.413 16.548 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.536 -3.568 18.057 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.097 -2.788 18.408 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.489 -4.081 19.470 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.465 -5.902 17.137 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.386 -6.508 18.534 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.975 -6.808 16.882 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.025 -5.468 16.145 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.422 -6.322 15.064 1.00 0.00 C ATOM 1650 C VAL A 104 -8.572 -5.838 13.941 1.00 0.00 C ATOM 1651 O VAL A 104 -8.929 -4.872 13.269 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.883 -6.190 14.676 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.201 -6.997 13.400 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.739 -6.735 15.827 1.00 0.00 C ATOM 0 H VAL A 104 -9.265 -4.485 16.020 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.302 -7.372 15.331 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.099 -5.140 14.481 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.255 -6.881 13.150 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.590 -6.630 12.576 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.983 -8.051 13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.794 -6.649 15.568 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.492 -7.782 16.000 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.540 -6.161 16.732 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.412 -6.492 13.718 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.544 -6.053 12.648 1.00 0.00 C ATOM 1666 C VAL A 105 -7.027 -6.802 11.440 1.00 0.00 C ATOM 1667 O VAL A 105 -7.320 -7.994 11.525 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.053 -6.230 12.847 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.598 -5.240 13.929 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.641 -7.655 13.229 1.00 0.00 C ATOM 0 H VAL A 105 -7.079 -7.295 14.252 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.618 -4.968 12.569 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.566 -6.034 11.892 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.526 -5.347 14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.816 -4.222 13.606 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.129 -5.447 14.858 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.559 -7.700 13.354 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.126 -7.936 14.164 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.945 -8.345 12.442 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.134 -6.107 10.287 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.481 -6.756 9.052 1.00 0.00 C ATOM 1682 C ALA A 106 -6.223 -7.367 8.563 1.00 0.00 C ATOM 1683 O ALA A 106 -5.201 -6.687 8.528 1.00 0.00 O ATOM 1684 CB ALA A 106 -7.970 -5.814 7.947 1.00 0.00 C ATOM 0 H ALA A 106 -6.981 -5.101 10.209 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.298 -7.448 9.256 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.208 -6.393 7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.862 -5.287 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.189 -5.091 7.713 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.281 -8.666 8.202 1.00 0.00 N ATOM 1691 CA CYS A 107 -5.108 -9.410 7.851 1.00 0.00 C ATOM 1692 C CYS A 107 -5.091 -9.708 6.392 1.00 0.00 C ATOM 1693 O CYS A 107 -6.129 -9.886 5.759 1.00 0.00 O ATOM 1694 CB CYS A 107 -5.021 -10.770 8.551 1.00 0.00 C ATOM 1695 SG CYS A 107 -5.159 -10.626 10.346 1.00 0.00 S ATOM 0 H CYS A 107 -7.147 -9.203 8.154 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.275 -8.779 8.159 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.813 -11.419 8.179 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.074 -11.246 8.299 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.863 -9.799 5.848 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.628 -10.247 4.510 1.00 0.00 C ATOM 1702 C GLU A 108 -2.237 -10.797 4.528 1.00 0.00 C ATOM 1703 O GLU A 108 -1.304 -10.091 4.903 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.672 -9.110 3.469 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.595 -9.584 2.012 1.00 0.00 C ATOM 1706 CD GLU A 108 -3.518 -8.345 1.133 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -2.477 -7.636 1.208 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.491 -8.091 0.376 1.00 0.00 O ATOM 0 H GLU A 108 -3.011 -9.554 6.353 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.400 -10.962 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.593 -8.543 3.606 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.845 -8.426 3.660 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -2.721 -10.217 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.470 -10.182 1.756 1.00 0.00 H new ATOM 1715 N ASN A 109 -2.084 -12.073 4.098 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.843 -12.788 3.857 1.00 0.00 C ATOM 1717 C ASN A 109 0.018 -13.065 5.069 1.00 0.00 C ATOM 1718 O ASN A 109 1.200 -13.369 4.921 1.00 0.00 O ATOM 1719 CB ASN A 109 0.013 -12.282 2.650 1.00 0.00 C ATOM 1720 CG ASN A 109 0.726 -10.930 2.838 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.706 -10.791 3.580 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.219 -9.903 2.088 1.00 0.00 N ATOM 0 H ASN A 109 -2.896 -12.658 3.901 1.00 0.00 H new ATOM 0 HA ASN A 109 -1.244 -13.756 3.558 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.766 -13.037 2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.636 -12.208 1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.652 -8.980 2.128 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.591 -10.061 1.489 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.552 -12.990 6.297 1.00 0.00 N ATOM 1730 CA GLY A 110 0.181 -13.269 7.506 1.00 0.00 C ATOM 1731 C GLY A 110 0.619 -11.987 8.145 1.00 0.00 C ATOM 1732 O GLY A 110 1.143 -11.983 9.258 1.00 0.00 O ATOM 0 H GLY A 110 -1.527 -12.734 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.443 -13.835 8.197 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.049 -13.888 7.280 1.00 0.00 H new ATOM 1736 N LEU A 111 0.397 -10.864 7.437 1.00 0.00 N ATOM 1737 CA LEU A 111 0.700 -9.550 7.901 1.00 0.00 C ATOM 1738 C LEU A 111 -0.619 -8.979 8.304 1.00 0.00 C ATOM 1739 O LEU A 111 -1.620 -9.306 7.674 1.00 0.00 O ATOM 1740 CB LEU A 111 1.123 -8.652 6.732 1.00 0.00 C ATOM 1741 CG LEU A 111 2.526 -8.037 6.756 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.676 -8.885 7.287 1.00 0.00 C ATOM 1743 CD2 LEU A 111 2.881 -7.490 5.367 1.00 0.00 C ATOM 0 H LEU A 111 -0.011 -10.875 6.502 1.00 0.00 H new ATOM 0 HA LEU A 111 1.471 -9.594 8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.032 -9.235 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.404 -7.836 6.663 1.00 0.00 H new ATOM 0 HG LEU A 111 2.434 -7.250 7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.602 -8.312 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.475 -9.165 8.321 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.775 -9.785 6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.880 -7.054 5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.857 -8.301 4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.159 -6.725 5.082 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.692 -8.112 9.281 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.769 -7.172 9.401 1.00 0.00 C ATOM 1757 C PRO A 112 -1.579 -6.174 8.301 1.00 0.00 C ATOM 1758 O PRO A 112 -0.441 -5.836 8.000 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.523 -6.497 10.744 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.680 -7.488 11.545 1.00 0.00 C ATOM 1761 CD PRO A 112 0.132 -8.195 10.465 1.00 0.00 C ATOM 0 HA PRO A 112 -2.766 -7.608 9.340 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.001 -5.549 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.462 -6.279 11.252 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.039 -6.982 12.267 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.301 -8.186 12.106 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.096 -7.710 10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.335 -9.231 10.735 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.669 -5.681 7.690 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.577 -4.666 6.681 1.00 0.00 C ATOM 1771 C VAL A 113 -3.366 -3.480 7.124 1.00 0.00 C ATOM 1772 O VAL A 113 -3.120 -2.377 6.637 1.00 0.00 O ATOM 1773 CB VAL A 113 -3.055 -5.085 5.304 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.902 -5.812 4.590 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.309 -5.972 5.398 1.00 0.00 C ATOM 0 H VAL A 113 -3.621 -5.985 7.894 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.515 -4.445 6.573 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.340 -4.204 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.227 -6.122 3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -1.049 -5.140 4.500 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.613 -6.690 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.629 -6.257 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.078 -6.868 5.974 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.109 -5.420 5.891 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.344 -3.668 8.040 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.193 -2.570 8.429 1.00 0.00 C ATOM 1787 C HIS A 114 -5.678 -2.881 9.802 1.00 0.00 C ATOM 1788 O HIS A 114 -5.162 -3.791 10.447 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.458 -2.343 7.571 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.266 -2.442 6.089 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -5.823 -1.400 5.320 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -6.466 -3.493 5.263 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -5.755 -1.813 4.062 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -6.140 -3.080 4.000 1.00 0.00 N ATOM 0 H HIS A 114 -4.545 -4.555 8.501 1.00 0.00 H new ATOM 0 HA HIS A 114 -4.587 -1.670 8.323 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.212 -3.071 7.870 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.858 -1.356 7.802 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -5.586 -0.467 5.657 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.817 -4.474 5.547 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -5.437 -1.213 3.222 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.694 -2.122 10.263 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.281 -2.275 11.561 1.00 0.00 C ATOM 1805 C LEU A 115 -8.521 -1.457 11.506 1.00 0.00 C ATOM 1806 O LEU A 115 -8.527 -0.339 10.995 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.296 -1.788 12.642 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.694 -1.459 14.102 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.004 0.037 14.220 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -7.619 -2.467 14.799 1.00 0.00 C ATOM 0 H LEU A 115 -7.120 -1.377 9.712 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.509 -3.309 11.818 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.516 -2.547 12.705 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.832 -0.886 12.244 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.833 -1.628 14.749 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.284 0.271 15.247 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.121 0.614 13.945 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.827 0.292 13.552 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.827 -2.129 15.814 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.554 -2.546 14.245 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.134 -3.442 14.834 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.602 -2.040 12.055 1.00 0.00 N ATOM 1823 CA ASP A 116 -10.871 -1.389 12.166 1.00 0.00 C ATOM 1824 C ASP A 116 -10.870 -0.472 13.347 1.00 0.00 C ATOM 1825 O ASP A 116 -10.383 -0.807 14.425 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.020 -2.381 12.392 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.095 -3.310 11.190 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -12.287 -2.801 10.053 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -11.965 -4.544 11.396 1.00 0.00 O ATOM 0 H ASP A 116 -9.594 -2.988 12.431 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.023 -0.856 11.227 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.853 -2.954 13.304 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.962 -1.848 12.519 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.483 0.713 13.161 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.719 1.664 14.213 1.00 0.00 C ATOM 1836 C GLN A 117 -13.175 1.517 14.591 1.00 0.00 C ATOM 1837 O GLN A 117 -13.863 2.512 14.808 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.570 3.117 13.701 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.144 3.512 13.288 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.257 3.536 14.530 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.206 2.888 14.581 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.712 4.302 15.565 1.00 0.00 N ATOM 0 H GLN A 117 -11.826 1.022 12.251 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.016 1.484 15.026 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.232 3.256 12.846 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.909 3.799 14.481 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.753 2.802 12.559 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.148 4.491 12.809 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.587 4.818 15.471 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.177 4.358 16.432 1.00 0.00 H new ATOM 1851 N SER A 118 -13.694 0.268 14.657 1.00 0.00 N ATOM 1852 CA SER A 118 -15.086 0.013 14.908 1.00 0.00 C ATOM 1853 C SER A 118 -15.207 -0.246 16.364 1.00 0.00 C ATOM 1854 O SER A 118 -16.230 0.045 16.981 1.00 0.00 O ATOM 1855 CB SER A 118 -15.622 -1.222 14.170 1.00 0.00 C ATOM 1856 OG SER A 118 -15.551 -1.018 12.767 1.00 0.00 O ATOM 0 H SER A 118 -13.136 -0.577 14.534 1.00 0.00 H new ATOM 0 HA SER A 118 -15.661 0.871 14.559 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.042 -2.102 14.448 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.653 -1.414 14.466 1.00 0.00 H new ATOM 0 HG SER A 118 -15.893 -1.811 12.303 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.118 -0.803 16.927 1.00 0.00 N ATOM 1863 CA ILE A 119 -13.944 -0.999 18.332 1.00 0.00 C ATOM 1864 C ILE A 119 -13.598 0.288 18.963 1.00 0.00 C ATOM 1865 O ILE A 119 -13.972 0.560 20.103 1.00 0.00 O ATOM 1866 CB ILE A 119 -12.801 -1.907 18.721 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -11.641 -2.044 17.698 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.425 -3.220 19.173 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.851 -3.012 16.530 1.00 0.00 C ATOM 0 H ILE A 119 -13.324 -1.131 16.377 1.00 0.00 H new ATOM 0 HA ILE A 119 -14.886 -1.442 18.654 1.00 0.00 H new ATOM 0 HB ILE A 119 -12.247 -1.445 19.539 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.435 -1.056 17.286 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -10.748 -2.356 18.239 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -12.638 -3.915 19.466 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.083 -3.037 20.023 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.002 -3.650 18.354 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.966 -3.011 15.893 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.019 -4.017 16.916 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -12.717 -2.697 15.948 1.00 0.00 H new ATOM 1881 N PHE A 120 -12.826 1.097 18.217 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.194 2.261 18.735 1.00 0.00 C ATOM 1883 C PHE A 120 -12.971 3.441 18.270 1.00 0.00 C ATOM 1884 O PHE A 120 -12.408 4.450 17.851 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.760 2.373 18.212 1.00 0.00 C ATOM 1886 CG PHE A 120 -9.959 1.142 18.514 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.112 0.399 19.681 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.019 0.717 17.590 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.303 -0.686 19.933 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.217 -0.364 17.852 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.342 -1.066 19.027 1.00 0.00 C ATOM 0 H PHE A 120 -12.639 0.934 17.228 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.162 2.210 19.823 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -10.778 2.540 17.135 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.276 3.241 18.661 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.873 0.676 20.396 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -8.916 1.243 16.652 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.425 -1.243 20.850 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.478 -0.668 17.126 1.00 0.00 H new ATOM 0 HZ PHE A 120 -7.694 -1.905 19.235 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.306 3.319 18.349 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.186 4.419 18.102 1.00 0.00 C ATOM 1903 C ARG A 121 -16.406 4.112 18.888 1.00 0.00 C ATOM 1904 O ARG A 121 -16.897 4.947 19.645 1.00 0.00 O ATOM 1905 CB ARG A 121 -15.546 4.624 16.616 1.00 0.00 C ATOM 1906 CG ARG A 121 -16.407 5.864 16.341 1.00 0.00 C ATOM 1907 CD ARG A 121 -16.602 6.117 14.845 1.00 0.00 C ATOM 1908 NE ARG A 121 -17.442 7.341 14.699 1.00 0.00 N ATOM 1909 CZ ARG A 121 -17.810 7.789 13.463 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -17.408 7.125 12.340 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -18.585 8.907 13.350 1.00 0.00 N ATOM 0 H ARG A 121 -14.782 2.449 18.587 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.699 5.351 18.390 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -14.625 4.700 16.038 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -16.075 3.741 16.257 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -17.380 5.740 16.816 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -15.939 6.737 16.797 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -15.640 6.252 14.351 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -17.086 5.262 14.372 1.00 0.00 H new ATOM 0 HE ARG A 121 -17.744 7.848 15.531 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -16.829 6.289 12.421 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -17.686 7.465 11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -18.887 9.405 14.187 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -18.862 9.245 12.428 1.00 0.00 H new ATOM 1925 N ARG A 122 -16.905 2.877 18.705 1.00 0.00 N ATOM 1926 CA ARG A 122 -18.060 2.397 19.401 1.00 0.00 C ATOM 1927 C ARG A 122 -17.556 1.317 20.317 1.00 0.00 C ATOM 1928 O ARG A 122 -17.123 0.283 19.811 1.00 0.00 O ATOM 1929 CB ARG A 122 -19.114 1.801 18.441 1.00 0.00 C ATOM 1930 CG ARG A 122 -20.449 1.417 19.104 1.00 0.00 C ATOM 1931 CD ARG A 122 -21.231 2.621 19.643 1.00 0.00 C ATOM 1932 NE ARG A 122 -22.520 2.129 20.218 1.00 0.00 N ATOM 1933 CZ ARG A 122 -22.650 1.794 21.537 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -21.592 1.879 22.394 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -23.861 1.365 22.003 1.00 0.00 N ATOM 0 H ARG A 122 -16.499 2.198 18.061 1.00 0.00 H new ATOM 0 HA ARG A 122 -18.549 3.214 19.931 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -19.313 2.523 17.649 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -18.692 0.915 17.966 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -21.067 0.887 18.379 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -20.253 0.724 19.923 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -20.650 3.140 20.405 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -21.421 3.338 18.844 1.00 0.00 H new ATOM 0 HE ARG A 122 -23.331 2.040 19.605 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -20.684 2.197 22.054 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -21.709 1.625 23.375 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -24.657 1.297 21.368 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -23.969 1.112 22.985 1.00 0.00 H new ATOM 1949 N PRO A 123 -17.566 1.460 21.631 1.00 0.00 N ATOM 1950 CA PRO A 123 -17.017 0.460 22.497 1.00 0.00 C ATOM 1951 C PRO A 123 -18.022 -0.660 22.534 1.00 0.00 C ATOM 1952 O PRO A 123 -17.580 -1.840 22.627 1.00 0.00 O ATOM 1953 CB PRO A 123 -16.872 1.148 23.858 1.00 0.00 C ATOM 1954 CG PRO A 123 -17.863 2.315 23.817 1.00 0.00 C ATOM 1955 CD PRO A 123 -17.921 2.677 22.333 1.00 0.00 C ATOM 1956 OXT PRO A 123 -19.251 -0.384 22.514 1.00 0.00 O ATOM 0 HA PRO A 123 -16.054 0.054 22.187 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -17.102 0.463 24.674 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -15.853 1.501 24.016 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -18.842 2.025 24.199 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.521 3.154 24.422 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.916 3.019 22.050 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -17.228 3.484 22.097 1.00 0.00 H new TER 1964 PRO A 123