USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1058 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 21 ASN : amide:sc= -2.67! C(o=-1.7!,f=-17!) USER MOD Set 1.2: A 115 TYR OH : rot 14:sc= 0.979 USER MOD Set 2.1: A 88 HIS : no HE2:sc= -0.0844 K(o=0.63,f=-16!) USER MOD Set 2.2: A 106 TYR OH : rot 180:sc= 0.714 USER MOD Set 3.1: A 71 HIS : no HD1:sc= -6.52! C(o=-6.5!,f=-12!) USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 60 SER OG : rot 171:sc= 0.989 USER MOD Set 4.2: A 72 HIS : no HD1:sc= -5.14! C(o=-4.1!,f=-26!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0981 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -141:sc= -3.69! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00474 USER MOD Single : A 9 GLN : amide:sc= -2.39! C(o=-2.4!,f=-14!) USER MOD Single : A 12 ASN :FLIP amide:sc= -1.19 F(o=-2.5!,f=-1.2) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -165:sc= -0.0031 (180deg=-0.256) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 97:sc= 1.18 USER MOD Single : A 29 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.28) USER MOD Single : A 30 CYS SG : rot 170:sc= -4.7! USER MOD Single : A 35 THR OG1 : rot 68:sc= 0.967 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 155:sc= 0.0444 (180deg=-1.93!) USER MOD Single : A 43 TYR OH : rot 160:sc= 0.879 USER MOD Single : A 48 THR OG1 : rot 107:sc= -3.58! USER MOD Single : A 49 ASN : amide:sc= -1.47! C(o=-1.5!,f=-5.9!) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0259 (180deg=-0.338) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 55 ASN : amide:sc= -2.69! C(o=-2.7!,f=-14!) USER MOD Single : A 61 THR OG1 : rot 55:sc= -0.723! USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0.563 (180deg=-0.748!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -131:sc= 0.554 (180deg=-1.95!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 74 MET CE :methyl 160:sc= -2.98 (180deg=-3.97!) USER MOD Single : A 77 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-7.3!) USER MOD Single : A 80 SER OG : rot 82:sc= 0.348 USER MOD Single : A 81 LYS NZ :NH3+ 174:sc= 1! (180deg=0.97) USER MOD Single : A 82 LYS NZ :NH3+ -179:sc= 0.727 (180deg=0.66) USER MOD Single : A 83 LYS NZ :NH3+ -112:sc= 0.591 (180deg=-5.33!) USER MOD Single : A 92 LYS NZ :NH3+ -126:sc= -0.0076 (180deg=-1.24!) USER MOD Single : A 94 SER OG : rot -170:sc= -0.758 USER MOD Single : A 95 LYS NZ :NH3+ -151:sc= -0.265 (180deg=-2.03!) USER MOD Single : A 96 GLN :FLIP amide:sc= -1.05 F(o=-2.1!,f=-1.1) USER MOD Single : A 97 ASN : amide:sc= -1.72! C(o=-1.7!,f=-10!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -4.7! C(o=-4.7!,f=-14!) USER MOD Single : A 104 ASN : amide:sc= -2.96 K(o=-3,f=-8.9!) USER MOD Single : A 105 MET CE :methyl 155:sc= -5.86! (180deg=-6.8!) USER MOD Single : A 113 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.479) USER MOD Single : A 116 TYR OH : rot 180:sc= -1.23 USER MOD Single : A 119 LYS NZ :NH3+ -108:sc= 0.0632 (180deg=-0.617!) USER MOD Single : A 121 LYS NZ :NH3+ -148:sc= -0.185! (180deg=-1.77!) USER MOD Single : A 123 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.8) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.205 1.763 24.473 1.00 0.00 N ATOM 2 CA GLY A 1 -1.215 1.748 23.018 1.00 0.00 C ATOM 3 C GLY A 1 -1.113 0.322 22.500 1.00 0.00 C ATOM 4 O GLY A 1 -0.789 -0.598 23.255 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.113 2.130 24.823 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.062 0.796 24.829 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.433 2.374 24.809 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.131 2.210 22.650 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.383 2.340 22.636 1.00 0.00 H new ATOM 8 N ALA A 2 -1.369 0.143 21.212 1.00 0.00 N ATOM 9 CA ALA A 2 -1.297 -1.175 20.589 1.00 0.00 C ATOM 10 C ALA A 2 0.112 -1.741 20.685 1.00 0.00 C ATOM 11 O ALA A 2 0.312 -2.950 20.547 1.00 0.00 O ATOM 12 CB ALA A 2 -1.747 -1.120 19.121 1.00 0.00 C ATOM 0 H ALA A 2 -1.629 0.895 20.574 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.976 -1.834 21.130 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.683 -2.116 18.683 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.777 -0.767 19.069 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.101 -0.438 18.568 1.00 0.00 H new ATOM 18 N MET A 3 1.087 -0.853 20.837 1.00 0.00 N ATOM 19 CA MET A 3 2.508 -1.217 20.877 1.00 0.00 C ATOM 20 C MET A 3 2.959 -1.819 19.551 1.00 0.00 C ATOM 21 O MET A 3 3.910 -1.333 18.932 1.00 0.00 O ATOM 22 CB MET A 3 2.803 -2.182 22.033 1.00 0.00 C ATOM 23 CG MET A 3 2.624 -1.455 23.371 1.00 0.00 C ATOM 24 SD MET A 3 3.794 -0.071 23.467 1.00 0.00 S ATOM 25 CE MET A 3 2.581 1.273 23.503 1.00 0.00 C ATOM 0 H MET A 3 0.918 0.148 20.937 1.00 0.00 H new ATOM 0 HA MET A 3 3.075 -0.302 21.047 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.134 -3.041 21.982 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.820 -2.565 21.949 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.602 -1.088 23.464 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.792 -2.145 24.198 1.00 0.00 H new ATOM 0 HE1 MET A 3 3.100 2.230 23.562 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.978 1.243 22.596 1.00 0.00 H new ATOM 0 HE3 MET A 3 1.934 1.156 24.373 1.00 0.00 H new ATOM 35 N GLY A 4 2.219 -2.797 19.067 1.00 0.00 N ATOM 36 CA GLY A 4 2.484 -3.387 17.762 1.00 0.00 C ATOM 37 C GLY A 4 1.697 -2.647 16.693 1.00 0.00 C ATOM 38 O GLY A 4 1.226 -3.243 15.729 1.00 0.00 O ATOM 0 H GLY A 4 1.424 -3.205 19.559 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.550 -3.339 17.541 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.207 -4.441 17.766 1.00 0.00 H new ATOM 42 N SER A 5 1.515 -1.352 16.903 1.00 0.00 N ATOM 43 CA SER A 5 0.714 -0.516 16.014 1.00 0.00 C ATOM 44 C SER A 5 1.381 -0.330 14.654 1.00 0.00 C ATOM 45 O SER A 5 0.856 0.382 13.797 1.00 0.00 O ATOM 46 CB SER A 5 0.483 0.853 16.661 1.00 0.00 C ATOM 47 OG SER A 5 0.310 0.694 18.074 1.00 0.00 O ATOM 0 H SER A 5 1.917 -0.849 17.694 1.00 0.00 H new ATOM 0 HA SER A 5 -0.238 -1.021 15.854 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.330 1.509 16.460 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.398 1.327 16.228 1.00 0.00 H new ATOM 0 HG SER A 5 -0.385 1.308 18.390 1.00 0.00 H new ATOM 53 N GLY A 6 2.576 -0.870 14.497 1.00 0.00 N ATOM 54 CA GLY A 6 3.367 -0.632 13.299 1.00 0.00 C ATOM 55 C GLY A 6 2.581 -0.917 12.024 1.00 0.00 C ATOM 56 O GLY A 6 2.574 -0.100 11.113 1.00 0.00 O ATOM 0 H GLY A 6 3.022 -1.478 15.184 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.707 0.403 13.290 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.258 -1.260 13.323 1.00 0.00 H new ATOM 60 N ASP A 7 1.850 -2.027 11.983 1.00 0.00 N ATOM 61 CA ASP A 7 1.038 -2.330 10.800 1.00 0.00 C ATOM 62 C ASP A 7 -0.021 -1.267 10.606 1.00 0.00 C ATOM 63 O ASP A 7 -0.186 -0.720 9.517 1.00 0.00 O ATOM 64 CB ASP A 7 0.361 -3.709 10.930 1.00 0.00 C ATOM 65 CG ASP A 7 -0.525 -3.800 12.174 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.417 -2.958 13.049 1.00 0.00 O ATOM 67 OD2 ASP A 7 -1.305 -4.723 12.243 1.00 0.00 O ATOM 0 H ASP A 7 1.800 -2.718 12.732 1.00 0.00 H new ATOM 0 HA ASP A 7 1.702 -2.347 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.241 -3.902 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.125 -4.485 10.972 1.00 0.00 H new ATOM 72 N THR A 8 -0.679 -0.937 11.683 1.00 0.00 N ATOM 73 CA THR A 8 -1.692 0.083 11.690 1.00 0.00 C ATOM 74 C THR A 8 -1.070 1.426 11.329 1.00 0.00 C ATOM 75 O THR A 8 -1.569 2.156 10.464 1.00 0.00 O ATOM 76 CB THR A 8 -2.326 0.135 13.078 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.678 -1.192 13.471 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.579 1.017 13.057 1.00 0.00 C ATOM 0 H THR A 8 -0.525 -1.374 12.592 1.00 0.00 H new ATOM 0 HA THR A 8 -2.462 -0.145 10.953 1.00 0.00 H new ATOM 0 HB THR A 8 -1.615 0.560 13.787 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.085 -1.172 14.362 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.021 1.045 14.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.308 2.028 12.752 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.301 0.606 12.351 1.00 0.00 H new ATOM 86 N GLN A 9 0.053 1.716 11.958 1.00 0.00 N ATOM 87 CA GLN A 9 0.780 2.934 11.693 1.00 0.00 C ATOM 88 C GLN A 9 1.264 2.956 10.263 1.00 0.00 C ATOM 89 O GLN A 9 0.994 3.906 9.526 1.00 0.00 O ATOM 90 CB GLN A 9 1.964 3.055 12.656 1.00 0.00 C ATOM 91 CG GLN A 9 1.571 3.929 13.849 1.00 0.00 C ATOM 92 CD GLN A 9 1.793 5.386 13.480 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.856 5.947 13.752 1.00 0.00 O ATOM 94 NE2 GLN A 9 0.881 6.023 12.827 1.00 0.00 N ATOM 0 H GLN A 9 0.482 1.115 12.662 1.00 0.00 H new ATOM 0 HA GLN A 9 0.113 3.782 11.845 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.267 2.066 13.001 1.00 0.00 H new ATOM 0 HB3 GLN A 9 2.821 3.489 12.141 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.527 3.761 14.113 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.167 3.666 14.723 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -0.000 5.562 12.600 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.041 6.988 12.537 1.00 0.00 H new ATOM 103 N LEU A 10 1.886 1.875 9.838 1.00 0.00 N ATOM 104 CA LEU A 10 2.340 1.778 8.469 1.00 0.00 C ATOM 105 C LEU A 10 1.163 1.843 7.534 1.00 0.00 C ATOM 106 O LEU A 10 1.188 2.576 6.554 1.00 0.00 O ATOM 107 CB LEU A 10 3.140 0.484 8.231 1.00 0.00 C ATOM 108 CG LEU A 10 4.638 0.689 8.557 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.298 1.518 7.450 1.00 0.00 C ATOM 110 CD2 LEU A 10 4.828 1.393 9.913 1.00 0.00 C ATOM 0 H LEU A 10 2.087 1.059 10.416 1.00 0.00 H new ATOM 0 HA LEU A 10 3.005 2.619 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.736 -0.317 8.851 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.030 0.170 7.193 1.00 0.00 H new ATOM 0 HG LEU A 10 5.108 -0.293 8.616 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.353 1.661 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.204 0.995 6.498 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.807 2.489 7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.892 1.521 10.111 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.344 2.369 9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.383 0.788 10.703 1.00 0.00 H new ATOM 122 N PHE A 11 0.099 1.134 7.877 1.00 0.00 N ATOM 123 CA PHE A 11 -1.106 1.162 7.073 1.00 0.00 C ATOM 124 C PHE A 11 -1.671 2.559 6.983 1.00 0.00 C ATOM 125 O PHE A 11 -1.910 3.057 5.895 1.00 0.00 O ATOM 126 CB PHE A 11 -2.156 0.215 7.657 1.00 0.00 C ATOM 127 CG PHE A 11 -3.495 0.443 6.981 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.722 -0.013 5.675 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.509 1.119 7.670 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.962 0.213 5.066 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.744 1.341 7.059 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.972 0.888 5.761 1.00 0.00 C ATOM 0 H PHE A 11 0.048 0.536 8.702 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.844 0.833 6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.841 -0.819 7.519 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.249 0.379 8.731 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.943 -0.537 5.141 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -4.335 1.470 8.677 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.139 -0.134 4.059 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.524 1.864 7.593 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.929 1.058 5.291 1.00 0.00 H new ATOM 142 N ASN A 12 -1.830 3.211 8.121 1.00 0.00 N ATOM 143 CA ASN A 12 -2.384 4.559 8.130 1.00 0.00 C ATOM 144 C ASN A 12 -1.486 5.490 7.382 1.00 0.00 C ATOM 145 O ASN A 12 -1.935 6.276 6.551 1.00 0.00 O ATOM 146 CB ASN A 12 -2.514 5.058 9.558 1.00 0.00 C ATOM 147 CG ASN A 12 -3.707 4.416 10.223 1.00 0.00 C ATOM 148 OD1 ASN A 12 -3.534 3.772 11.329 1.00 0.00 O flip ATOM 149 ND2 ASN A 12 -4.829 4.484 9.697 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.589 2.839 9.039 1.00 0.00 H new ATOM 0 HA ASN A 12 -3.365 4.530 7.655 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.607 4.826 10.117 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -2.624 6.142 9.564 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.953 4.996 8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -5.628 4.028 10.138 1.00 0.00 H new ATOM 156 N ARG A 13 -0.209 5.389 7.660 1.00 0.00 N ATOM 157 CA ARG A 13 0.770 6.217 7.007 1.00 0.00 C ATOM 158 C ARG A 13 0.819 5.872 5.526 1.00 0.00 C ATOM 159 O ARG A 13 0.761 6.748 4.671 1.00 0.00 O ATOM 160 CB ARG A 13 2.120 5.953 7.659 1.00 0.00 C ATOM 161 CG ARG A 13 2.100 6.507 9.095 1.00 0.00 C ATOM 162 CD ARG A 13 3.380 6.080 9.806 1.00 0.00 C ATOM 163 NE ARG A 13 3.406 6.530 11.193 1.00 0.00 N ATOM 164 CZ ARG A 13 3.862 7.719 11.571 1.00 0.00 C ATOM 165 NH1 ARG A 13 4.296 8.575 10.684 1.00 0.00 N ATOM 166 NH2 ARG A 13 3.877 8.015 12.840 1.00 0.00 N ATOM 0 H ARG A 13 0.177 4.735 8.341 1.00 0.00 H new ATOM 0 HA ARG A 13 0.512 7.271 7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.330 4.883 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.915 6.427 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.022 7.594 9.079 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.228 6.133 9.631 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.468 4.994 9.775 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.242 6.485 9.276 1.00 0.00 H new ATOM 0 HE ARG A 13 3.055 5.897 11.912 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.286 8.332 9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.645 9.486 10.982 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.542 7.338 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.224 8.924 13.148 1.00 0.00 H new ATOM 180 N ALA A 14 0.833 4.576 5.232 1.00 0.00 N ATOM 181 CA ALA A 14 0.842 4.102 3.854 1.00 0.00 C ATOM 182 C ALA A 14 -0.439 4.483 3.141 1.00 0.00 C ATOM 183 O ALA A 14 -0.405 5.052 2.047 1.00 0.00 O ATOM 184 CB ALA A 14 1.018 2.578 3.808 1.00 0.00 C ATOM 0 H ALA A 14 0.838 3.834 5.932 1.00 0.00 H new ATOM 0 HA ALA A 14 1.682 4.576 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.022 2.243 2.771 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.962 2.306 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.195 2.100 4.340 1.00 0.00 H new ATOM 190 N VAL A 15 -1.569 4.149 3.745 1.00 0.00 N ATOM 191 CA VAL A 15 -2.845 4.429 3.141 1.00 0.00 C ATOM 192 C VAL A 15 -3.075 5.939 3.047 1.00 0.00 C ATOM 193 O VAL A 15 -3.580 6.436 2.048 1.00 0.00 O ATOM 194 CB VAL A 15 -3.993 3.704 3.894 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.234 4.320 5.270 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.287 3.727 3.068 1.00 0.00 C ATOM 0 H VAL A 15 -1.620 3.685 4.652 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.841 4.037 2.124 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.687 2.668 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.044 3.789 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.326 4.242 5.868 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.505 5.370 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.077 3.213 3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.584 4.760 2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.120 3.224 2.115 1.00 0.00 H new ATOM 206 N SER A 16 -2.613 6.679 4.050 1.00 0.00 N ATOM 207 CA SER A 16 -2.777 8.118 4.041 1.00 0.00 C ATOM 208 C SER A 16 -2.091 8.720 2.831 1.00 0.00 C ATOM 209 O SER A 16 -2.668 9.548 2.125 1.00 0.00 O ATOM 210 CB SER A 16 -2.205 8.729 5.337 1.00 0.00 C ATOM 211 OG SER A 16 -2.398 10.136 5.345 1.00 0.00 O ATOM 0 H SER A 16 -2.129 6.307 4.867 1.00 0.00 H new ATOM 0 HA SER A 16 -3.842 8.346 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.693 8.283 6.204 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.142 8.500 5.417 1.00 0.00 H new ATOM 0 HG SER A 16 -2.032 10.512 6.173 1.00 0.00 H new ATOM 217 N MET A 17 -0.866 8.292 2.572 1.00 0.00 N ATOM 218 CA MET A 17 -0.140 8.861 1.456 1.00 0.00 C ATOM 219 C MET A 17 -0.833 8.547 0.140 1.00 0.00 C ATOM 220 O MET A 17 -1.016 9.427 -0.690 1.00 0.00 O ATOM 221 CB MET A 17 1.311 8.368 1.430 1.00 0.00 C ATOM 222 CG MET A 17 2.021 8.832 2.702 1.00 0.00 C ATOM 223 SD MET A 17 3.801 8.501 2.566 1.00 0.00 S ATOM 224 CE MET A 17 3.742 6.704 2.794 1.00 0.00 C ATOM 0 H MET A 17 -0.369 7.576 3.102 1.00 0.00 H new ATOM 0 HA MET A 17 -0.128 9.943 1.587 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.337 7.281 1.360 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.824 8.756 0.550 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.850 9.897 2.857 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.610 8.314 3.569 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.743 6.332 3.010 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.079 6.464 3.625 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.368 6.234 1.884 1.00 0.00 H new ATOM 234 N VAL A 18 -1.284 7.313 -0.023 1.00 0.00 N ATOM 235 CA VAL A 18 -2.010 6.946 -1.231 1.00 0.00 C ATOM 236 C VAL A 18 -3.382 7.614 -1.279 1.00 0.00 C ATOM 237 O VAL A 18 -3.801 8.109 -2.325 1.00 0.00 O ATOM 238 CB VAL A 18 -2.103 5.427 -1.404 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.690 4.835 -1.390 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.899 4.818 -0.260 1.00 0.00 C ATOM 0 H VAL A 18 -1.164 6.559 0.653 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.439 7.321 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.600 5.206 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.747 3.753 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.108 5.262 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.208 5.067 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.959 3.738 -0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.405 5.040 0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.904 5.239 -0.252 1.00 0.00 H new ATOM 250 N GLU A 19 -4.053 7.669 -0.133 1.00 0.00 N ATOM 251 CA GLU A 19 -5.346 8.320 -0.060 1.00 0.00 C ATOM 252 C GLU A 19 -5.216 9.800 -0.367 1.00 0.00 C ATOM 253 O GLU A 19 -6.147 10.409 -0.882 1.00 0.00 O ATOM 254 CB GLU A 19 -5.996 8.134 1.321 1.00 0.00 C ATOM 255 CG GLU A 19 -6.439 6.678 1.523 1.00 0.00 C ATOM 256 CD GLU A 19 -7.044 6.513 2.912 1.00 0.00 C ATOM 257 OE1 GLU A 19 -6.390 6.863 3.877 1.00 0.00 O ATOM 258 OE2 GLU A 19 -8.151 6.031 3.001 1.00 0.00 O ATOM 0 H GLU A 19 -3.723 7.273 0.747 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.988 7.851 -0.806 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.289 8.415 2.102 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.856 8.797 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.169 6.401 0.763 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.587 6.009 1.405 1.00 0.00 H new ATOM 265 N LYS A 20 -4.126 10.411 0.085 1.00 0.00 N ATOM 266 CA LYS A 20 -3.961 11.853 -0.068 1.00 0.00 C ATOM 267 C LYS A 20 -3.127 12.207 -1.299 1.00 0.00 C ATOM 268 O LYS A 20 -3.051 13.378 -1.679 1.00 0.00 O ATOM 269 CB LYS A 20 -3.350 12.470 1.195 1.00 0.00 C ATOM 270 CG LYS A 20 -4.206 12.084 2.414 1.00 0.00 C ATOM 271 CD LYS A 20 -5.639 12.624 2.271 1.00 0.00 C ATOM 272 CE LYS A 20 -6.624 11.496 2.617 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.961 12.054 2.912 1.00 0.00 N ATOM 0 H LYS A 20 -3.353 9.939 0.554 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.955 12.276 -0.216 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.327 12.117 1.328 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.303 13.555 1.098 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.230 10.999 2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.752 12.481 3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.791 13.475 2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.811 12.978 1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.691 10.795 1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.258 10.936 3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.616 11.281 3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.895 12.706 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.314 12.569 2.080 1.00 0.00 H new ATOM 287 N ASN A 21 -2.519 11.215 -1.933 1.00 0.00 N ATOM 288 CA ASN A 21 -1.711 11.481 -3.125 1.00 0.00 C ATOM 289 C ASN A 21 -2.596 11.898 -4.291 1.00 0.00 C ATOM 290 O ASN A 21 -3.513 11.181 -4.677 1.00 0.00 O ATOM 291 CB ASN A 21 -0.872 10.268 -3.520 1.00 0.00 C ATOM 292 CG ASN A 21 -0.108 10.577 -4.790 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.656 10.442 -5.874 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.115 10.999 -4.729 1.00 0.00 N ATOM 0 H ASN A 21 -2.564 10.235 -1.653 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.032 12.298 -2.880 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.179 10.015 -2.718 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.515 9.401 -3.671 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.622 11.219 -5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.571 11.111 -3.824 1.00 0.00 H new ATOM 301 N LYS A 22 -2.333 13.076 -4.830 1.00 0.00 N ATOM 302 CA LYS A 22 -3.138 13.625 -5.913 1.00 0.00 C ATOM 303 C LYS A 22 -3.184 12.683 -7.101 1.00 0.00 C ATOM 304 O LYS A 22 -4.263 12.425 -7.664 1.00 0.00 O ATOM 305 CB LYS A 22 -2.615 15.017 -6.327 1.00 0.00 C ATOM 306 CG LYS A 22 -1.312 14.913 -7.159 1.00 0.00 C ATOM 307 CD LYS A 22 -0.106 14.578 -6.254 1.00 0.00 C ATOM 308 CE LYS A 22 0.189 15.756 -5.304 1.00 0.00 C ATOM 309 NZ LYS A 22 1.561 16.266 -5.546 1.00 0.00 N ATOM 0 H LYS A 22 -1.563 13.676 -4.534 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.159 13.739 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.378 15.535 -6.908 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.431 15.617 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.424 14.143 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.132 15.854 -7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.315 13.678 -5.676 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.770 14.367 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.538 16.553 -5.461 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.089 15.433 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.755 17.060 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.249 15.506 -5.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.642 16.590 -6.531 1.00 0.00 H new ATOM 323 N ASP A 23 -2.034 12.134 -7.458 1.00 0.00 N ATOM 324 CA ASP A 23 -1.969 11.195 -8.552 1.00 0.00 C ATOM 325 C ASP A 23 -2.782 9.969 -8.249 1.00 0.00 C ATOM 326 O ASP A 23 -3.612 9.556 -9.053 1.00 0.00 O ATOM 327 CB ASP A 23 -0.522 10.769 -8.793 1.00 0.00 C ATOM 328 CG ASP A 23 0.191 11.718 -9.715 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.277 11.905 -10.817 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.217 12.237 -9.316 1.00 0.00 O ATOM 0 H ASP A 23 -1.140 12.325 -7.005 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.368 11.687 -9.439 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.006 10.721 -7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.504 9.766 -9.219 1.00 0.00 H new ATOM 335 N ILE A 24 -2.556 9.397 -7.090 1.00 0.00 N ATOM 336 CA ILE A 24 -3.278 8.213 -6.692 1.00 0.00 C ATOM 337 C ILE A 24 -4.750 8.541 -6.533 1.00 0.00 C ATOM 338 O ILE A 24 -5.604 7.841 -7.057 1.00 0.00 O ATOM 339 CB ILE A 24 -2.692 7.614 -5.414 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.276 7.106 -5.709 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.555 6.428 -4.970 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.572 6.746 -4.402 1.00 0.00 C ATOM 0 H ILE A 24 -1.878 9.733 -6.406 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.176 7.458 -7.471 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.668 8.371 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.321 6.233 -6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.709 7.871 -6.240 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.140 5.998 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.573 6.769 -4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.567 5.672 -5.755 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.434 6.386 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.512 7.629 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.134 5.966 -3.889 1.00 0.00 H new ATOM 354 N ARG A 25 -5.041 9.673 -5.905 1.00 0.00 N ATOM 355 CA ARG A 25 -6.421 10.104 -5.767 1.00 0.00 C ATOM 356 C ARG A 25 -7.074 10.201 -7.118 1.00 0.00 C ATOM 357 O ARG A 25 -8.181 9.696 -7.323 1.00 0.00 O ATOM 358 CB ARG A 25 -6.521 11.455 -5.050 1.00 0.00 C ATOM 359 CG ARG A 25 -6.313 11.268 -3.543 1.00 0.00 C ATOM 360 CD ARG A 25 -6.495 12.604 -2.809 1.00 0.00 C ATOM 361 NE ARG A 25 -5.428 13.544 -3.136 1.00 0.00 N ATOM 362 CZ ARG A 25 -5.419 14.782 -2.626 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.350 15.140 -1.790 1.00 0.00 N ATOM 364 NH2 ARG A 25 -4.481 15.620 -2.950 1.00 0.00 N ATOM 0 H ARG A 25 -4.351 10.299 -5.490 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.939 9.359 -5.163 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.773 12.142 -5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.497 11.904 -5.237 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.023 10.535 -3.159 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.314 10.874 -3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.458 13.039 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.511 12.430 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.677 13.254 -3.763 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.081 14.479 -1.527 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.349 16.082 -1.398 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.745 15.337 -3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.480 16.562 -2.558 1.00 0.00 H new ATOM 378 N SER A 26 -6.353 10.752 -8.061 1.00 0.00 N ATOM 379 CA SER A 26 -6.830 10.809 -9.416 1.00 0.00 C ATOM 380 C SER A 26 -7.063 9.386 -9.934 1.00 0.00 C ATOM 381 O SER A 26 -8.137 9.078 -10.463 1.00 0.00 O ATOM 382 CB SER A 26 -5.809 11.532 -10.272 1.00 0.00 C ATOM 383 OG SER A 26 -5.550 12.819 -9.704 1.00 0.00 O ATOM 0 H SER A 26 -5.433 11.167 -7.914 1.00 0.00 H new ATOM 0 HA SER A 26 -7.774 11.353 -9.460 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.887 10.953 -10.328 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.180 11.639 -11.291 1.00 0.00 H new ATOM 0 HG SER A 26 -4.745 12.775 -9.147 1.00 0.00 H new ATOM 389 N LEU A 27 -6.115 8.489 -9.638 1.00 0.00 N ATOM 390 CA LEU A 27 -6.259 7.068 -9.979 1.00 0.00 C ATOM 391 C LEU A 27 -7.438 6.472 -9.224 1.00 0.00 C ATOM 392 O LEU A 27 -8.217 5.691 -9.775 1.00 0.00 O ATOM 393 CB LEU A 27 -4.987 6.289 -9.625 1.00 0.00 C ATOM 394 CG LEU A 27 -3.820 6.762 -10.500 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.535 6.058 -10.075 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.105 6.458 -11.969 1.00 0.00 C ATOM 0 H LEU A 27 -5.242 8.721 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.430 6.992 -11.053 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.744 6.433 -8.572 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.152 5.222 -9.771 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.703 7.838 -10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.710 6.398 -10.700 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.320 6.291 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.656 4.981 -10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.269 6.799 -12.580 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.236 5.384 -12.100 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.014 6.974 -12.278 1.00 0.00 H new ATOM 408 N LEU A 28 -7.581 6.874 -7.976 1.00 0.00 N ATOM 409 CA LEU A 28 -8.665 6.412 -7.132 1.00 0.00 C ATOM 410 C LEU A 28 -9.947 7.128 -7.522 1.00 0.00 C ATOM 411 O LEU A 28 -11.006 6.930 -6.903 1.00 0.00 O ATOM 412 CB LEU A 28 -8.352 6.707 -5.651 1.00 0.00 C ATOM 413 CG LEU A 28 -7.128 5.904 -5.179 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.778 6.311 -3.746 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.442 4.404 -5.209 1.00 0.00 C ATOM 0 H LEU A 28 -6.948 7.531 -7.519 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.782 5.337 -7.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.166 7.773 -5.520 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.216 6.456 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.288 6.111 -5.842 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.911 5.744 -3.408 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.549 7.376 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.625 6.103 -3.092 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.570 3.843 -4.873 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.284 4.195 -4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.696 4.106 -6.226 1.00 0.00 H new ATOM 427 N GLN A 29 -9.838 8.020 -8.500 1.00 0.00 N ATOM 428 CA GLN A 29 -10.966 8.823 -8.916 1.00 0.00 C ATOM 429 C GLN A 29 -11.505 9.564 -7.707 1.00 0.00 C ATOM 430 O GLN A 29 -12.701 9.874 -7.627 1.00 0.00 O ATOM 431 CB GLN A 29 -12.051 7.925 -9.533 1.00 0.00 C ATOM 432 CG GLN A 29 -11.492 7.216 -10.775 1.00 0.00 C ATOM 433 CD GLN A 29 -11.215 8.226 -11.881 1.00 0.00 C ATOM 434 OE1 GLN A 29 -12.139 8.895 -12.353 1.00 0.00 O ATOM 435 NE2 GLN A 29 -10.008 8.392 -12.319 1.00 0.00 N ATOM 0 H GLN A 29 -8.977 8.200 -9.016 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.655 9.544 -9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.386 7.189 -8.802 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.921 8.523 -9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.574 6.687 -10.518 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.203 6.468 -11.126 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.244 7.840 -11.930 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.821 9.075 -13.053 1.00 0.00 H new ATOM 444 N CYS A 30 -10.606 9.823 -6.753 1.00 0.00 N ATOM 445 CA CYS A 30 -10.946 10.516 -5.524 1.00 0.00 C ATOM 446 C CYS A 30 -11.330 11.943 -5.836 1.00 0.00 C ATOM 447 O CYS A 30 -10.585 12.888 -5.558 1.00 0.00 O ATOM 448 CB CYS A 30 -9.774 10.472 -4.542 1.00 0.00 C ATOM 449 SG CYS A 30 -9.831 8.931 -3.599 1.00 0.00 S ATOM 0 H CYS A 30 -9.624 9.555 -6.819 1.00 0.00 H new ATOM 0 HA CYS A 30 -11.795 10.017 -5.056 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.830 10.545 -5.083 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.821 11.326 -3.866 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.728 8.794 -2.924 1.00 0.00 H new ATOM 455 N ASP A 31 -12.441 12.072 -6.512 1.00 0.00 N ATOM 456 CA ASP A 31 -12.936 13.352 -6.967 1.00 0.00 C ATOM 457 C ASP A 31 -14.178 13.715 -6.187 1.00 0.00 C ATOM 458 O ASP A 31 -15.267 13.851 -6.747 1.00 0.00 O ATOM 459 CB ASP A 31 -13.245 13.277 -8.470 1.00 0.00 C ATOM 460 CG ASP A 31 -11.963 13.100 -9.252 1.00 0.00 C ATOM 461 OD1 ASP A 31 -11.254 14.067 -9.406 1.00 0.00 O ATOM 462 OD2 ASP A 31 -11.695 11.996 -9.686 1.00 0.00 O ATOM 0 H ASP A 31 -13.037 11.285 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.181 14.121 -6.804 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.921 12.445 -8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.754 14.186 -8.791 1.00 0.00 H new ATOM 467 N ASP A 32 -14.028 13.820 -4.874 1.00 0.00 N ATOM 468 CA ASP A 32 -15.175 14.088 -4.017 1.00 0.00 C ATOM 469 C ASP A 32 -15.956 15.259 -4.576 1.00 0.00 C ATOM 470 O ASP A 32 -15.374 16.284 -4.940 1.00 0.00 O ATOM 471 CB ASP A 32 -14.714 14.414 -2.586 1.00 0.00 C ATOM 472 CG ASP A 32 -14.174 13.181 -1.894 1.00 0.00 C ATOM 473 OD1 ASP A 32 -14.848 12.184 -1.889 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.092 13.254 -1.358 1.00 0.00 O ATOM 0 H ASP A 32 -13.138 13.726 -4.384 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.808 13.201 -3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.944 15.185 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.549 14.819 -2.015 1.00 0.00 H new ATOM 479 N GLY A 33 -17.263 15.093 -4.682 1.00 0.00 N ATOM 480 CA GLY A 33 -18.127 16.125 -5.246 1.00 0.00 C ATOM 481 C GLY A 33 -18.576 15.773 -6.664 1.00 0.00 C ATOM 482 O GLY A 33 -19.568 16.312 -7.148 1.00 0.00 O ATOM 0 H GLY A 33 -17.755 14.250 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.002 16.255 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.597 17.077 -5.258 1.00 0.00 H new ATOM 486 N ILE A 34 -17.879 14.842 -7.318 1.00 0.00 N ATOM 487 CA ILE A 34 -18.264 14.438 -8.675 1.00 0.00 C ATOM 488 C ILE A 34 -19.634 13.777 -8.699 1.00 0.00 C ATOM 489 O ILE A 34 -20.476 14.081 -9.547 1.00 0.00 O ATOM 490 CB ILE A 34 -17.208 13.503 -9.292 1.00 0.00 C ATOM 491 CG1 ILE A 34 -17.732 12.950 -10.619 1.00 0.00 C ATOM 492 CG2 ILE A 34 -16.873 12.334 -8.347 1.00 0.00 C ATOM 493 CD1 ILE A 34 -16.591 12.349 -11.408 1.00 0.00 C ATOM 0 H ILE A 34 -17.062 14.361 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 34 -18.321 15.345 -9.277 1.00 0.00 H new ATOM 0 HB ILE A 34 -16.298 14.079 -9.457 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -18.495 12.195 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -18.205 13.746 -11.194 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -16.125 11.693 -8.813 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -16.482 12.726 -7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -17.775 11.755 -8.151 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.969 11.956 -12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -15.843 13.116 -11.607 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -16.138 11.541 -10.834 1.00 0.00 H new ATOM 505 N THR A 35 -19.865 12.913 -7.750 1.00 0.00 N ATOM 506 CA THR A 35 -21.134 12.240 -7.622 1.00 0.00 C ATOM 507 C THR A 35 -21.538 12.301 -6.167 1.00 0.00 C ATOM 508 O THR A 35 -21.748 11.268 -5.521 1.00 0.00 O ATOM 509 CB THR A 35 -21.018 10.776 -8.131 1.00 0.00 C ATOM 510 OG1 THR A 35 -20.685 9.882 -7.071 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.932 10.680 -9.192 1.00 0.00 C ATOM 0 H THR A 35 -19.180 12.653 -7.041 1.00 0.00 H new ATOM 0 HA THR A 35 -21.899 12.724 -8.230 1.00 0.00 H new ATOM 0 HB THR A 35 -21.987 10.496 -8.545 1.00 0.00 H new ATOM 0 HG1 THR A 35 -21.436 9.824 -6.444 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.857 9.651 -9.544 1.00 0.00 H new ATOM 0 HG22 THR A 35 -20.182 11.332 -10.029 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.978 10.988 -8.765 1.00 0.00 H new ATOM 519 N GLY A 36 -21.326 13.467 -5.589 1.00 0.00 N ATOM 520 CA GLY A 36 -21.341 13.587 -4.164 1.00 0.00 C ATOM 521 C GLY A 36 -19.980 13.157 -3.681 1.00 0.00 C ATOM 522 O GLY A 36 -19.025 13.102 -4.480 1.00 0.00 O ATOM 0 H GLY A 36 -21.143 14.336 -6.091 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -21.552 14.613 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.121 12.961 -3.731 1.00 0.00 H new ATOM 526 N LYS A 37 -19.875 12.790 -2.432 1.00 0.00 N ATOM 527 CA LYS A 37 -18.622 12.287 -1.931 1.00 0.00 C ATOM 528 C LYS A 37 -18.785 10.846 -1.503 1.00 0.00 C ATOM 529 O LYS A 37 -19.524 10.559 -0.571 1.00 0.00 O ATOM 530 CB LYS A 37 -18.179 13.130 -0.744 1.00 0.00 C ATOM 531 CG LYS A 37 -17.813 14.543 -1.233 1.00 0.00 C ATOM 532 CD LYS A 37 -19.028 15.476 -1.157 1.00 0.00 C ATOM 533 CE LYS A 37 -19.393 15.745 0.305 1.00 0.00 C ATOM 534 NZ LYS A 37 -18.588 16.886 0.814 1.00 0.00 N ATOM 0 H LYS A 37 -20.631 12.828 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 37 -17.868 12.342 -2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -18.977 13.184 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.321 12.668 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.002 14.944 -0.626 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.449 14.495 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -18.807 16.415 -1.664 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -19.875 15.026 -1.675 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.456 15.969 0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.205 14.856 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.835 17.070 1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.576 16.655 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -18.788 17.733 0.245 1.00 0.00 H new ATOM 548 N GLU A 38 -18.017 9.963 -2.110 1.00 0.00 N ATOM 549 CA GLU A 38 -18.006 8.569 -1.703 1.00 0.00 C ATOM 550 C GLU A 38 -17.003 8.366 -0.599 1.00 0.00 C ATOM 551 O GLU A 38 -15.972 9.046 -0.556 1.00 0.00 O ATOM 552 CB GLU A 38 -17.715 7.630 -2.879 1.00 0.00 C ATOM 553 CG GLU A 38 -18.917 6.706 -3.120 1.00 0.00 C ATOM 554 CD GLU A 38 -18.972 5.600 -2.073 1.00 0.00 C ATOM 555 OE1 GLU A 38 -18.955 5.910 -0.901 1.00 0.00 O ATOM 556 OE2 GLU A 38 -19.038 4.451 -2.458 1.00 0.00 O ATOM 0 H GLU A 38 -17.393 10.184 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 38 -19.001 8.320 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -17.507 8.212 -3.777 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -16.825 7.036 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.839 7.287 -3.090 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.849 6.267 -4.115 1.00 0.00 H new ATOM 563 N ARG A 39 -17.252 7.397 0.237 1.00 0.00 N ATOM 564 CA ARG A 39 -16.336 7.099 1.310 1.00 0.00 C ATOM 565 C ARG A 39 -15.319 6.085 0.821 1.00 0.00 C ATOM 566 O ARG A 39 -15.681 5.060 0.240 1.00 0.00 O ATOM 567 CB ARG A 39 -17.084 6.516 2.516 1.00 0.00 C ATOM 568 CG ARG A 39 -18.301 7.385 2.886 1.00 0.00 C ATOM 569 CD ARG A 39 -17.873 8.812 3.255 1.00 0.00 C ATOM 570 NE ARG A 39 -19.020 9.552 3.790 1.00 0.00 N ATOM 571 CZ ARG A 39 -19.897 10.181 3.006 1.00 0.00 C ATOM 572 NH1 ARG A 39 -19.783 10.100 1.716 1.00 0.00 N ATOM 573 NH2 ARG A 39 -20.875 10.856 3.537 1.00 0.00 N ATOM 0 H ARG A 39 -18.078 6.800 0.199 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.841 8.020 1.617 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -17.413 5.502 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.409 6.448 3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.997 7.417 2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -18.832 6.934 3.724 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -17.072 8.782 3.993 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.478 9.322 2.376 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.153 9.587 4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -19.024 9.557 1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.452 10.580 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -20.970 10.904 4.551 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -21.546 11.337 2.939 1.00 0.00 H new ATOM 587 N LEU A 40 -14.059 6.356 1.074 1.00 0.00 N ATOM 588 CA LEU A 40 -12.992 5.449 0.687 1.00 0.00 C ATOM 589 C LEU A 40 -12.959 4.263 1.633 1.00 0.00 C ATOM 590 O LEU A 40 -13.265 4.399 2.828 1.00 0.00 O ATOM 591 CB LEU A 40 -11.639 6.173 0.722 1.00 0.00 C ATOM 592 CG LEU A 40 -11.678 7.397 -0.210 1.00 0.00 C ATOM 593 CD1 LEU A 40 -12.207 8.612 0.556 1.00 0.00 C ATOM 594 CD2 LEU A 40 -10.267 7.699 -0.733 1.00 0.00 C ATOM 0 H LEU A 40 -13.742 7.201 1.549 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.180 5.099 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.411 6.487 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.845 5.494 0.412 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.337 7.182 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.233 9.477 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.213 8.403 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.552 8.823 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.301 8.566 -1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.604 7.908 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.892 6.838 -1.286 1.00 0.00 H new ATOM 606 N LYS A 41 -12.565 3.118 1.125 1.00 0.00 N ATOM 607 CA LYS A 41 -12.398 1.939 1.958 1.00 0.00 C ATOM 608 C LYS A 41 -11.072 1.288 1.679 1.00 0.00 C ATOM 609 O LYS A 41 -10.635 1.242 0.531 1.00 0.00 O ATOM 610 CB LYS A 41 -13.552 0.948 1.768 1.00 0.00 C ATOM 611 CG LYS A 41 -14.736 1.381 2.641 1.00 0.00 C ATOM 612 CD LYS A 41 -14.550 0.838 4.074 1.00 0.00 C ATOM 613 CE LYS A 41 -13.854 1.881 4.975 1.00 0.00 C ATOM 614 NZ LYS A 41 -14.351 3.243 4.662 1.00 0.00 N ATOM 0 H LYS A 41 -12.353 2.973 0.138 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.415 2.256 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.850 0.915 0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.232 -0.058 2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.808 2.468 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.668 1.007 2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.520 0.577 4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.958 -0.077 4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.042 1.650 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.775 1.837 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.230 3.856 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.813 3.634 3.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.359 3.195 4.411 1.00 0.00 H new ATOM 628 N ALA A 42 -10.427 0.790 2.723 1.00 0.00 N ATOM 629 CA ALA A 42 -9.137 0.137 2.580 1.00 0.00 C ATOM 630 C ALA A 42 -9.068 -1.097 3.451 1.00 0.00 C ATOM 631 O ALA A 42 -9.556 -1.094 4.582 1.00 0.00 O ATOM 632 CB ALA A 42 -7.997 1.097 2.928 1.00 0.00 C ATOM 0 H ALA A 42 -10.778 0.826 3.680 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.025 -0.164 1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.042 0.584 2.813 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.030 1.958 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.107 1.433 3.959 1.00 0.00 H new ATOM 638 N TYR A 43 -8.529 -2.164 2.907 1.00 0.00 N ATOM 639 CA TYR A 43 -8.461 -3.433 3.611 1.00 0.00 C ATOM 640 C TYR A 43 -7.455 -4.373 2.979 1.00 0.00 C ATOM 641 O TYR A 43 -7.025 -4.167 1.841 1.00 0.00 O ATOM 642 CB TYR A 43 -9.850 -4.094 3.692 1.00 0.00 C ATOM 643 CG TYR A 43 -10.575 -3.983 2.358 1.00 0.00 C ATOM 644 CD1 TYR A 43 -9.998 -4.487 1.187 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.836 -3.375 2.303 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.674 -4.381 -0.025 1.00 0.00 C ATOM 647 CE2 TYR A 43 -12.513 -3.273 1.086 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.929 -3.777 -0.081 1.00 0.00 C ATOM 649 OH TYR A 43 -12.592 -3.683 -1.284 1.00 0.00 O ATOM 0 H TYR A 43 -8.126 -2.182 1.970 1.00 0.00 H new ATOM 0 HA TYR A 43 -8.121 -3.223 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.744 -5.143 3.968 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.441 -3.617 4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.027 -4.959 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -12.285 -2.984 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.224 -4.769 -0.927 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -13.486 -2.806 1.046 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.548 -3.542 -1.121 1.00 0.00 H new ATOM 659 N GLY A 44 -7.171 -5.466 3.664 1.00 0.00 N ATOM 660 CA GLY A 44 -6.361 -6.505 3.086 1.00 0.00 C ATOM 661 C GLY A 44 -7.125 -7.085 1.917 1.00 0.00 C ATOM 662 O GLY A 44 -8.351 -6.937 1.863 1.00 0.00 O ATOM 0 H GLY A 44 -7.490 -5.650 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.403 -6.104 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.146 -7.278 3.824 1.00 0.00 H new ATOM 666 N GLU A 45 -6.424 -7.737 1.003 1.00 0.00 N ATOM 667 CA GLU A 45 -7.042 -8.372 -0.175 1.00 0.00 C ATOM 668 C GLU A 45 -8.526 -8.665 0.109 1.00 0.00 C ATOM 669 O GLU A 45 -8.833 -9.279 1.128 1.00 0.00 O ATOM 670 CB GLU A 45 -6.302 -9.675 -0.448 1.00 0.00 C ATOM 671 CG GLU A 45 -4.823 -9.379 -0.744 1.00 0.00 C ATOM 672 CD GLU A 45 -4.693 -8.549 -1.999 1.00 0.00 C ATOM 673 OE1 GLU A 45 -5.171 -8.981 -3.021 1.00 0.00 O ATOM 674 OE2 GLU A 45 -4.127 -7.479 -1.924 1.00 0.00 O ATOM 0 H GLU A 45 -5.411 -7.847 1.047 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.978 -7.711 -1.039 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.385 -10.339 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.756 -10.192 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.376 -8.850 0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.275 -10.314 -0.860 1.00 0.00 H new ATOM 681 N LEU A 46 -9.431 -8.079 -0.684 1.00 0.00 N ATOM 682 CA LEU A 46 -10.876 -8.063 -0.346 1.00 0.00 C ATOM 683 C LEU A 46 -11.523 -9.453 -0.189 1.00 0.00 C ATOM 684 O LEU A 46 -11.491 -10.045 0.887 1.00 0.00 O ATOM 685 CB LEU A 46 -11.683 -7.241 -1.383 1.00 0.00 C ATOM 686 CG LEU A 46 -11.041 -7.347 -2.784 1.00 0.00 C ATOM 687 CD1 LEU A 46 -12.137 -7.374 -3.850 1.00 0.00 C ATOM 688 CD2 LEU A 46 -10.133 -6.141 -3.042 1.00 0.00 C ATOM 0 H LEU A 46 -9.200 -7.610 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.917 -7.591 0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.711 -7.602 -1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.723 -6.196 -1.074 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.452 -8.263 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.682 -7.449 -4.838 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -12.786 -8.234 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -12.726 -6.459 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.686 -6.227 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.721 -5.225 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.345 -6.112 -2.290 1.00 0.00 H new ATOM 700 N ILE A 47 -12.190 -9.921 -1.248 1.00 0.00 N ATOM 701 CA ILE A 47 -12.969 -11.169 -1.188 1.00 0.00 C ATOM 702 C ILE A 47 -12.055 -12.383 -1.095 1.00 0.00 C ATOM 703 O ILE A 47 -12.515 -13.523 -0.986 1.00 0.00 O ATOM 704 CB ILE A 47 -13.924 -11.283 -2.389 1.00 0.00 C ATOM 705 CG1 ILE A 47 -14.682 -9.958 -2.580 1.00 0.00 C ATOM 706 CG2 ILE A 47 -14.950 -12.395 -2.126 1.00 0.00 C ATOM 707 CD1 ILE A 47 -15.493 -9.628 -1.323 1.00 0.00 C ATOM 0 H ILE A 47 -12.209 -9.458 -2.157 1.00 0.00 H new ATOM 0 HA ILE A 47 -13.575 -11.141 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.341 -11.511 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.977 -9.154 -2.788 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -15.346 -10.031 -3.441 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -15.626 -12.475 -2.977 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -14.431 -13.343 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -15.522 -12.157 -1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -16.025 -8.688 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -16.211 -10.426 -1.133 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -14.821 -9.535 -0.470 1.00 0.00 H new ATOM 719 N THR A 48 -10.775 -12.116 -1.168 1.00 0.00 N ATOM 720 CA THR A 48 -9.716 -13.108 -1.145 1.00 0.00 C ATOM 721 C THR A 48 -10.205 -14.498 -0.703 1.00 0.00 C ATOM 722 O THR A 48 -10.463 -15.358 -1.547 1.00 0.00 O ATOM 723 CB THR A 48 -8.635 -12.586 -0.212 1.00 0.00 C ATOM 724 OG1 THR A 48 -8.590 -11.182 -0.344 1.00 0.00 O ATOM 725 CG2 THR A 48 -7.277 -13.160 -0.568 1.00 0.00 C ATOM 0 H THR A 48 -10.422 -11.162 -1.249 1.00 0.00 H new ATOM 0 HA THR A 48 -9.332 -13.249 -2.155 1.00 0.00 H new ATOM 0 HB THR A 48 -8.870 -12.883 0.810 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.976 -10.766 0.455 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.525 -12.768 0.117 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.309 -14.247 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.019 -12.879 -1.589 1.00 0.00 H new ATOM 733 N ASN A 49 -10.343 -14.716 0.606 1.00 0.00 N ATOM 734 CA ASN A 49 -10.812 -16.011 1.100 1.00 0.00 C ATOM 735 C ASN A 49 -12.198 -15.923 1.736 1.00 0.00 C ATOM 736 O ASN A 49 -13.204 -16.012 1.031 1.00 0.00 O ATOM 737 CB ASN A 49 -9.783 -16.653 2.058 1.00 0.00 C ATOM 738 CG ASN A 49 -10.443 -17.710 2.934 1.00 0.00 C ATOM 739 OD1 ASN A 49 -10.631 -17.484 4.133 1.00 0.00 O ATOM 740 ND2 ASN A 49 -10.811 -18.836 2.416 1.00 0.00 N ATOM 0 H ASN A 49 -10.141 -14.027 1.331 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.910 -16.665 0.234 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.976 -17.105 1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.334 -15.883 2.686 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.259 -19.543 2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.653 -19.017 1.425 1.00 0.00 H new ATOM 747 N ASP A 50 -12.258 -15.804 3.068 1.00 0.00 N ATOM 748 CA ASP A 50 -13.546 -15.798 3.761 1.00 0.00 C ATOM 749 C ASP A 50 -13.971 -14.402 4.209 1.00 0.00 C ATOM 750 O ASP A 50 -14.682 -13.704 3.480 1.00 0.00 O ATOM 751 CB ASP A 50 -13.524 -16.765 4.949 1.00 0.00 C ATOM 752 CG ASP A 50 -14.937 -17.140 5.325 1.00 0.00 C ATOM 753 OD1 ASP A 50 -15.543 -16.411 6.069 1.00 0.00 O ATOM 754 OD2 ASP A 50 -15.395 -18.159 4.859 1.00 0.00 O ATOM 0 H ASP A 50 -11.444 -15.712 3.676 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.292 -16.136 3.041 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.956 -17.659 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.022 -16.302 5.798 1.00 0.00 H new ATOM 759 N LYS A 51 -13.514 -13.988 5.401 1.00 0.00 N ATOM 760 CA LYS A 51 -13.851 -12.670 5.936 1.00 0.00 C ATOM 761 C LYS A 51 -12.642 -11.751 6.079 1.00 0.00 C ATOM 762 O LYS A 51 -12.410 -10.916 5.220 1.00 0.00 O ATOM 763 CB LYS A 51 -14.649 -12.747 7.258 1.00 0.00 C ATOM 764 CG LYS A 51 -14.235 -13.970 8.095 1.00 0.00 C ATOM 765 CD LYS A 51 -15.074 -13.995 9.384 1.00 0.00 C ATOM 766 CE LYS A 51 -14.757 -15.255 10.200 1.00 0.00 C ATOM 767 NZ LYS A 51 -13.321 -15.261 10.584 1.00 0.00 N ATOM 0 H LYS A 51 -12.913 -14.548 6.006 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.503 -12.221 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.487 -11.837 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.715 -12.799 7.038 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.390 -14.887 7.526 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -13.173 -13.920 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.866 -13.106 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.135 -13.971 9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -15.381 -15.287 11.093 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.990 -16.145 9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.165 -15.964 11.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.741 -15.505 9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.050 -14.319 10.931 1.00 0.00 H new ATOM 781 N TRP A 52 -11.972 -11.799 7.236 1.00 0.00 N ATOM 782 CA TRP A 52 -10.901 -10.834 7.541 1.00 0.00 C ATOM 783 C TRP A 52 -9.513 -11.351 7.184 1.00 0.00 C ATOM 784 O TRP A 52 -8.875 -10.851 6.259 1.00 0.00 O ATOM 785 CB TRP A 52 -10.937 -10.438 9.023 1.00 0.00 C ATOM 786 CG TRP A 52 -12.340 -10.130 9.428 1.00 0.00 C ATOM 787 CD1 TRP A 52 -13.056 -10.835 10.328 1.00 0.00 C ATOM 788 CD2 TRP A 52 -13.210 -9.062 8.959 1.00 0.00 C ATOM 789 NE1 TRP A 52 -14.308 -10.263 10.445 1.00 0.00 N ATOM 790 CE2 TRP A 52 -14.453 -9.171 9.621 1.00 0.00 C ATOM 791 CE3 TRP A 52 -13.042 -8.021 8.030 1.00 0.00 C ATOM 792 CZ2 TRP A 52 -15.489 -8.278 9.379 1.00 0.00 C ATOM 793 CZ3 TRP A 52 -14.089 -7.119 7.778 1.00 0.00 C ATOM 794 CH2 TRP A 52 -15.309 -7.246 8.457 1.00 0.00 C ATOM 0 H TRP A 52 -12.147 -12.485 7.970 1.00 0.00 H new ATOM 0 HA TRP A 52 -11.092 -9.960 6.918 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -10.541 -11.248 9.635 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -10.300 -9.570 9.193 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -12.708 -11.703 10.868 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -15.038 -10.609 11.068 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -12.103 -7.914 7.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -16.429 -8.382 9.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -13.954 -6.325 7.059 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -16.109 -6.546 8.267 1.00 0.00 H new ATOM 805 N THR A 53 -9.012 -12.284 7.980 1.00 0.00 N ATOM 806 CA THR A 53 -7.649 -12.787 7.819 1.00 0.00 C ATOM 807 C THR A 53 -7.455 -13.544 6.509 1.00 0.00 C ATOM 808 O THR A 53 -6.375 -14.082 6.261 1.00 0.00 O ATOM 809 CB THR A 53 -7.252 -13.647 9.023 1.00 0.00 C ATOM 810 OG1 THR A 53 -8.388 -13.818 9.874 1.00 0.00 O ATOM 811 CG2 THR A 53 -6.133 -12.947 9.800 1.00 0.00 C ATOM 0 H THR A 53 -9.529 -12.712 8.748 1.00 0.00 H new ATOM 0 HA THR A 53 -6.987 -11.922 7.774 1.00 0.00 H new ATOM 0 HB THR A 53 -6.902 -14.621 8.680 1.00 0.00 H new ATOM 0 HG1 THR A 53 -8.139 -14.369 10.645 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.849 -13.557 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.269 -12.810 9.150 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.484 -11.975 10.147 1.00 0.00 H new ATOM 819 N ARG A 54 -8.519 -13.619 5.711 1.00 0.00 N ATOM 820 CA ARG A 54 -8.534 -14.352 4.448 1.00 0.00 C ATOM 821 C ARG A 54 -7.134 -14.791 3.993 1.00 0.00 C ATOM 822 O ARG A 54 -6.714 -15.914 4.275 1.00 0.00 O ATOM 823 CB ARG A 54 -9.250 -13.535 3.352 1.00 0.00 C ATOM 824 CG ARG A 54 -8.854 -12.039 3.415 1.00 0.00 C ATOM 825 CD ARG A 54 -10.125 -11.167 3.486 1.00 0.00 C ATOM 826 NE ARG A 54 -9.844 -9.778 3.107 1.00 0.00 N ATOM 827 CZ ARG A 54 -10.576 -8.741 3.536 1.00 0.00 C ATOM 828 NH1 ARG A 54 -11.586 -8.932 4.330 1.00 0.00 N ATOM 829 NH2 ARG A 54 -10.282 -7.530 3.140 1.00 0.00 N ATOM 0 H ARG A 54 -9.407 -13.166 5.927 1.00 0.00 H new ATOM 0 HA ARG A 54 -9.097 -15.269 4.622 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -8.998 -13.939 2.371 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.329 -13.633 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -8.226 -11.855 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.266 -11.771 2.537 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.888 -11.579 2.825 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.531 -11.195 4.497 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.055 -9.593 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.827 -9.876 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.139 -8.138 4.652 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.497 -7.377 2.506 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -10.837 -6.738 3.465 1.00 0.00 H new ATOM 843 N ASN A 55 -6.418 -13.908 3.308 1.00 0.00 N ATOM 844 CA ASN A 55 -5.057 -14.221 2.867 1.00 0.00 C ATOM 845 C ASN A 55 -4.044 -13.321 3.555 1.00 0.00 C ATOM 846 O ASN A 55 -3.642 -13.584 4.688 1.00 0.00 O ATOM 847 CB ASN A 55 -4.926 -14.094 1.355 1.00 0.00 C ATOM 848 CG ASN A 55 -3.545 -14.551 0.941 1.00 0.00 C ATOM 849 OD1 ASN A 55 -2.681 -13.726 0.682 1.00 0.00 O ATOM 850 ND2 ASN A 55 -3.276 -15.816 0.877 1.00 0.00 N ATOM 0 H ASN A 55 -6.748 -12.979 3.046 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.852 -15.255 3.145 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.687 -14.697 0.859 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.088 -13.061 1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.342 -16.126 0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.999 -16.503 1.094 1.00 0.00 H new ATOM 857 N ARG A 56 -3.713 -12.201 2.915 1.00 0.00 N ATOM 858 CA ARG A 56 -2.828 -11.229 3.523 1.00 0.00 C ATOM 859 C ARG A 56 -3.602 -9.985 3.945 1.00 0.00 C ATOM 860 O ARG A 56 -3.858 -9.086 3.139 1.00 0.00 O ATOM 861 CB ARG A 56 -1.669 -10.849 2.580 1.00 0.00 C ATOM 862 CG ARG A 56 -2.203 -10.343 1.223 1.00 0.00 C ATOM 863 CD ARG A 56 -1.445 -11.005 0.051 1.00 0.00 C ATOM 864 NE ARG A 56 -0.029 -11.237 0.380 1.00 0.00 N ATOM 865 CZ ARG A 56 0.448 -12.451 0.688 1.00 0.00 C ATOM 866 NH1 ARG A 56 -0.359 -13.463 0.795 1.00 0.00 N ATOM 867 NH2 ARG A 56 1.721 -12.616 0.896 1.00 0.00 N ATOM 0 H ARG A 56 -4.045 -11.952 1.983 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.396 -11.690 4.411 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -1.056 -10.077 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.026 -11.714 2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.268 -10.561 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.095 -9.260 1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.920 -11.953 -0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.514 -10.370 -0.832 1.00 0.00 H new ATOM 0 HE ARG A 56 0.613 -10.444 0.373 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.360 -13.335 0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 56 0.008 -14.385 1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.357 -11.821 0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 56 2.084 -13.540 1.130 1.00 0.00 H new ATOM 881 N PRO A 57 -3.945 -9.904 5.196 1.00 0.00 N ATOM 882 CA PRO A 57 -4.610 -8.700 5.758 1.00 0.00 C ATOM 883 C PRO A 57 -3.615 -7.563 5.933 1.00 0.00 C ATOM 884 O PRO A 57 -2.411 -7.755 5.739 1.00 0.00 O ATOM 885 CB PRO A 57 -5.189 -9.170 7.093 1.00 0.00 C ATOM 886 CG PRO A 57 -4.397 -10.384 7.446 1.00 0.00 C ATOM 887 CD PRO A 57 -4.064 -11.054 6.111 1.00 0.00 C ATOM 0 HA PRO A 57 -5.386 -8.303 5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.094 -8.400 7.858 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.250 -9.402 7.004 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.490 -10.117 7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.969 -11.053 8.089 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.138 -11.627 6.165 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.848 -11.743 5.796 1.00 0.00 H new ATOM 895 N ILE A 58 -4.110 -6.375 6.242 1.00 0.00 N ATOM 896 CA ILE A 58 -3.237 -5.231 6.414 1.00 0.00 C ATOM 897 C ILE A 58 -2.235 -5.510 7.526 1.00 0.00 C ATOM 898 O ILE A 58 -2.433 -5.117 8.679 1.00 0.00 O ATOM 899 CB ILE A 58 -4.069 -3.983 6.744 1.00 0.00 C ATOM 900 CG1 ILE A 58 -4.958 -3.632 5.549 1.00 0.00 C ATOM 901 CG2 ILE A 58 -3.147 -2.802 7.048 1.00 0.00 C ATOM 902 CD1 ILE A 58 -6.010 -2.614 5.974 1.00 0.00 C ATOM 0 H ILE A 58 -5.102 -6.181 6.377 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.692 -5.052 5.487 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.687 -4.190 7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.352 -3.227 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.441 -4.531 5.166 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.747 -1.922 7.281 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.514 -3.045 7.901 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.522 -2.595 6.179 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.642 -2.366 5.121 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.624 -3.036 6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.518 -1.711 6.336 1.00 0.00 H new ATOM 914 N VAL A 59 -1.171 -6.186 7.173 1.00 0.00 N ATOM 915 CA VAL A 59 -0.120 -6.502 8.105 1.00 0.00 C ATOM 916 C VAL A 59 1.214 -6.358 7.408 1.00 0.00 C ATOM 917 O VAL A 59 1.337 -6.702 6.231 1.00 0.00 O ATOM 918 CB VAL A 59 -0.291 -7.953 8.616 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.646 -8.097 9.311 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.225 -8.950 7.441 1.00 0.00 C ATOM 0 H VAL A 59 -1.009 -6.534 6.228 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.166 -5.822 8.955 1.00 0.00 H new ATOM 0 HB VAL A 59 0.515 -8.170 9.317 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.764 -9.119 9.670 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.697 -7.408 10.154 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.444 -7.866 8.605 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.347 -9.965 7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.022 -8.729 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.740 -8.862 6.943 1.00 0.00 H new ATOM 930 N SER A 60 2.237 -6.009 8.149 1.00 0.00 N ATOM 931 CA SER A 60 3.571 -6.023 7.597 1.00 0.00 C ATOM 932 C SER A 60 4.273 -7.260 8.093 1.00 0.00 C ATOM 933 O SER A 60 4.559 -7.364 9.281 1.00 0.00 O ATOM 934 CB SER A 60 4.364 -4.793 8.048 1.00 0.00 C ATOM 935 OG SER A 60 3.613 -3.595 7.840 1.00 0.00 O ATOM 0 H SER A 60 2.175 -5.715 9.124 1.00 0.00 H new ATOM 0 HA SER A 60 3.506 -6.014 6.509 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.620 -4.888 9.103 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.303 -4.739 7.496 1.00 0.00 H new ATOM 0 HG SER A 60 4.072 -2.843 8.269 1.00 0.00 H new ATOM 941 N THR A 61 4.573 -8.189 7.208 1.00 0.00 N ATOM 942 CA THR A 61 5.278 -9.371 7.637 1.00 0.00 C ATOM 943 C THR A 61 6.680 -8.960 8.049 1.00 0.00 C ATOM 944 O THR A 61 7.571 -8.831 7.198 1.00 0.00 O ATOM 945 CB THR A 61 5.327 -10.408 6.503 1.00 0.00 C ATOM 946 OG1 THR A 61 6.231 -9.971 5.492 1.00 0.00 O ATOM 947 CG2 THR A 61 3.930 -10.586 5.894 1.00 0.00 C ATOM 0 H THR A 61 4.346 -8.149 6.214 1.00 0.00 H new ATOM 0 HA THR A 61 4.763 -9.831 8.480 1.00 0.00 H new ATOM 0 HB THR A 61 5.666 -11.361 6.909 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.106 -9.787 5.893 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.974 -11.322 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.239 -10.929 6.664 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.584 -9.633 5.494 1.00 0.00 H new ATOM 955 N LYS A 62 6.836 -8.601 9.310 1.00 0.00 N ATOM 956 CA LYS A 62 8.088 -8.039 9.767 1.00 0.00 C ATOM 957 C LYS A 62 9.178 -9.082 9.751 1.00 0.00 C ATOM 958 O LYS A 62 9.346 -9.834 10.722 1.00 0.00 O ATOM 959 CB LYS A 62 7.949 -7.475 11.187 1.00 0.00 C ATOM 960 CG LYS A 62 6.764 -6.501 11.267 1.00 0.00 C ATOM 961 CD LYS A 62 7.207 -5.168 11.901 1.00 0.00 C ATOM 962 CE LYS A 62 8.031 -5.419 13.177 1.00 0.00 C ATOM 963 NZ LYS A 62 7.815 -4.322 14.142 1.00 0.00 N ATOM 0 H LYS A 62 6.117 -8.688 10.028 1.00 0.00 H new ATOM 0 HA LYS A 62 8.353 -7.230 9.087 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.805 -8.291 11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.868 -6.963 11.473 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.364 -6.321 10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.961 -6.943 11.857 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.800 -4.599 11.185 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.331 -4.565 12.141 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.743 -6.370 13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.090 -5.492 12.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.549 -4.357 14.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.865 -3.409 13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.878 -4.426 14.582 1.00 0.00 H new ATOM 977 N LYS A 63 9.984 -9.069 8.708 1.00 0.00 N ATOM 978 CA LYS A 63 11.121 -9.963 8.649 1.00 0.00 C ATOM 979 C LYS A 63 12.375 -9.198 9.004 1.00 0.00 C ATOM 980 O LYS A 63 12.630 -8.133 8.442 1.00 0.00 O ATOM 981 CB LYS A 63 11.281 -10.572 7.248 1.00 0.00 C ATOM 982 CG LYS A 63 10.024 -11.372 6.863 1.00 0.00 C ATOM 983 CD LYS A 63 10.317 -12.233 5.623 1.00 0.00 C ATOM 984 CE LYS A 63 10.383 -11.349 4.372 1.00 0.00 C ATOM 985 NZ LYS A 63 11.214 -12.003 3.328 1.00 0.00 N ATOM 0 H LYS A 63 9.875 -8.457 7.899 1.00 0.00 H new ATOM 0 HA LYS A 63 10.955 -10.774 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.454 -9.781 6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.155 -11.223 7.225 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.717 -12.007 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.197 -10.692 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.260 -12.763 5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.541 -12.989 5.503 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.378 -11.171 3.989 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.804 -10.376 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.253 -11.396 2.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.177 -12.151 3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.795 -12.921 3.075 1.00 0.00 H new ATOM 999 N LEU A 64 13.179 -9.767 9.882 1.00 0.00 N ATOM 1000 CA LEU A 64 14.452 -9.176 10.255 1.00 0.00 C ATOM 1001 C LEU A 64 15.568 -10.073 9.766 1.00 0.00 C ATOM 1002 O LEU A 64 15.758 -11.187 10.274 1.00 0.00 O ATOM 1003 CB LEU A 64 14.505 -8.968 11.782 1.00 0.00 C ATOM 1004 CG LEU A 64 15.866 -8.405 12.229 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.189 -7.137 11.447 1.00 0.00 C ATOM 1006 CD2 LEU A 64 15.768 -8.032 13.708 1.00 0.00 C ATOM 0 H LEU A 64 12.971 -10.647 10.355 1.00 0.00 H new ATOM 0 HA LEU A 64 14.570 -8.197 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 64 13.711 -8.286 12.085 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.319 -9.917 12.286 1.00 0.00 H new ATOM 0 HG LEU A 64 16.641 -9.152 12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.154 -6.746 11.770 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.229 -7.366 10.382 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.416 -6.391 11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 64 16.723 -7.630 14.046 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.990 -7.280 13.843 1.00 0.00 H new ATOM 0 HD23 LEU A 64 15.521 -8.919 14.291 1.00 0.00 H new ATOM 1018 N ASP A 65 16.192 -9.657 8.678 1.00 0.00 N ATOM 1019 CA ASP A 65 17.156 -10.492 7.980 1.00 0.00 C ATOM 1020 C ASP A 65 18.559 -10.375 8.510 1.00 0.00 C ATOM 1021 O ASP A 65 18.900 -9.443 9.249 1.00 0.00 O ATOM 1022 CB ASP A 65 17.165 -10.202 6.465 1.00 0.00 C ATOM 1023 CG ASP A 65 16.243 -11.135 5.692 1.00 0.00 C ATOM 1024 OD1 ASP A 65 15.701 -12.048 6.276 1.00 0.00 O ATOM 1025 OD2 ASP A 65 16.119 -10.943 4.508 1.00 0.00 O ATOM 0 H ASP A 65 16.047 -8.740 8.256 1.00 0.00 H new ATOM 0 HA ASP A 65 16.821 -11.513 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.860 -9.170 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.181 -10.302 6.084 1.00 0.00 H new ATOM 1030 N LYS A 66 19.390 -11.254 7.974 1.00 0.00 N ATOM 1031 CA LYS A 66 20.825 -11.278 8.185 1.00 0.00 C ATOM 1032 C LYS A 66 21.399 -9.860 8.154 1.00 0.00 C ATOM 1033 O LYS A 66 22.407 -9.561 8.800 1.00 0.00 O ATOM 1034 CB LYS A 66 21.477 -12.124 7.061 1.00 0.00 C ATOM 1035 CG LYS A 66 21.143 -11.517 5.665 1.00 0.00 C ATOM 1036 CD LYS A 66 19.889 -12.184 5.045 1.00 0.00 C ATOM 1037 CE LYS A 66 19.367 -11.323 3.876 1.00 0.00 C ATOM 1038 NZ LYS A 66 18.100 -11.891 3.345 1.00 0.00 N ATOM 0 H LYS A 66 19.069 -11.999 7.356 1.00 0.00 H new ATOM 0 HA LYS A 66 21.037 -11.714 9.161 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.557 -12.157 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.117 -13.151 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.976 -10.444 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.994 -11.647 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.135 -13.185 4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.113 -12.296 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 66 19.202 -10.300 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 66 20.115 -11.280 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 18.160 -11.965 2.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 17.946 -12.836 3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 17.306 -11.270 3.603 1.00 0.00 H new ATOM 1052 N GLU A 67 20.749 -9.004 7.389 1.00 0.00 N ATOM 1053 CA GLU A 67 21.168 -7.631 7.218 1.00 0.00 C ATOM 1054 C GLU A 67 21.087 -6.870 8.530 1.00 0.00 C ATOM 1055 O GLU A 67 21.845 -5.931 8.752 1.00 0.00 O ATOM 1056 CB GLU A 67 20.291 -6.944 6.168 1.00 0.00 C ATOM 1057 CG GLU A 67 20.577 -7.544 4.781 1.00 0.00 C ATOM 1058 CD GLU A 67 19.653 -6.946 3.733 1.00 0.00 C ATOM 1059 OE1 GLU A 67 18.774 -6.186 4.095 1.00 0.00 O ATOM 1060 OE2 GLU A 67 19.832 -7.258 2.573 1.00 0.00 O ATOM 0 H GLU A 67 19.908 -9.247 6.865 1.00 0.00 H new ATOM 0 HA GLU A 67 22.205 -7.631 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 67 19.238 -7.071 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 67 20.489 -5.872 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 67 21.615 -7.357 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.446 -8.626 4.814 1.00 0.00 H new ATOM 1067 N GLY A 68 20.096 -7.196 9.338 1.00 0.00 N ATOM 1068 CA GLY A 68 19.854 -6.459 10.565 1.00 0.00 C ATOM 1069 C GLY A 68 18.788 -5.418 10.322 1.00 0.00 C ATOM 1070 O GLY A 68 18.575 -4.524 11.137 1.00 0.00 O ATOM 0 H GLY A 68 19.447 -7.964 9.168 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.539 -7.140 11.355 1.00 0.00 H new ATOM 0 HA3 GLY A 68 20.774 -5.982 10.903 1.00 0.00 H new ATOM 1074 N ARG A 69 18.088 -5.566 9.206 1.00 0.00 N ATOM 1075 CA ARG A 69 16.998 -4.678 8.872 1.00 0.00 C ATOM 1076 C ARG A 69 15.705 -5.437 9.077 1.00 0.00 C ATOM 1077 O ARG A 69 15.581 -6.575 8.605 1.00 0.00 O ATOM 1078 CB ARG A 69 17.057 -4.302 7.389 1.00 0.00 C ATOM 1079 CG ARG A 69 18.453 -3.841 6.972 1.00 0.00 C ATOM 1080 CD ARG A 69 18.857 -2.546 7.671 1.00 0.00 C ATOM 1081 NE ARG A 69 19.744 -1.788 6.784 1.00 0.00 N ATOM 1082 CZ ARG A 69 20.363 -0.678 7.179 1.00 0.00 C ATOM 1083 NH1 ARG A 69 20.184 -0.230 8.382 1.00 0.00 N ATOM 1084 NH2 ARG A 69 21.138 -0.040 6.352 1.00 0.00 N ATOM 0 H ARG A 69 18.261 -6.298 8.517 1.00 0.00 H new ATOM 0 HA ARG A 69 17.061 -3.783 9.491 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.763 -5.160 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 69 16.337 -3.509 7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 69 19.178 -4.621 7.206 1.00 0.00 H new ATOM 0 HG3 ARG A 69 18.479 -3.694 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.973 -1.957 7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.362 -2.766 8.612 1.00 0.00 H new ATOM 0 HE ARG A 69 19.892 -2.122 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.569 -0.728 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.658 0.621 8.685 1.00 0.00 H new ATOM 0 HH21 ARG A 69 21.270 -0.391 5.403 1.00 0.00 H new ATOM 0 HH22 ARG A 69 21.614 0.811 6.652 1.00 0.00 H new ATOM 1098 N THR A 70 14.716 -4.800 9.657 1.00 0.00 N ATOM 1099 CA THR A 70 13.410 -5.428 9.759 1.00 0.00 C ATOM 1100 C THR A 70 12.544 -4.914 8.624 1.00 0.00 C ATOM 1101 O THR A 70 12.313 -3.716 8.520 1.00 0.00 O ATOM 1102 CB THR A 70 12.762 -5.100 11.100 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.719 -5.244 12.146 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.577 -6.041 11.356 1.00 0.00 C ATOM 0 H THR A 70 14.782 -3.865 10.060 1.00 0.00 H new ATOM 0 HA THR A 70 13.516 -6.511 9.692 1.00 0.00 H new ATOM 0 HB THR A 70 12.403 -4.071 11.076 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.299 -5.031 13.005 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.121 -5.799 12.316 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.839 -5.921 10.563 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.928 -7.073 11.371 1.00 0.00 H new ATOM 1112 N HIS A 71 12.142 -5.806 7.740 1.00 0.00 N ATOM 1113 CA HIS A 71 11.408 -5.433 6.532 1.00 0.00 C ATOM 1114 C HIS A 71 9.907 -5.510 6.758 1.00 0.00 C ATOM 1115 O HIS A 71 9.383 -6.567 7.118 1.00 0.00 O ATOM 1116 CB HIS A 71 11.793 -6.387 5.392 1.00 0.00 C ATOM 1117 CG HIS A 71 11.695 -5.700 4.042 1.00 0.00 C ATOM 1118 ND1 HIS A 71 12.822 -5.413 3.282 1.00 0.00 N ATOM 1119 CD2 HIS A 71 10.615 -5.289 3.281 1.00 0.00 C ATOM 1120 CE1 HIS A 71 12.400 -4.862 2.121 1.00 0.00 C ATOM 1121 NE2 HIS A 71 11.065 -4.766 2.067 1.00 0.00 N ATOM 0 H HIS A 71 12.311 -6.808 7.832 1.00 0.00 H new ATOM 0 HA HIS A 71 11.668 -4.406 6.274 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.810 -6.749 5.545 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.139 -7.259 5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 71 9.580 -5.362 3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 71 13.061 -4.538 1.331 1.00 0.00 H new ATOM 0 HE2 HIS A 71 10.500 -4.392 1.305 1.00 0.00 H new ATOM 1130 N HIS A 72 9.209 -4.441 6.407 1.00 0.00 N ATOM 1131 CA HIS A 72 7.755 -4.442 6.417 1.00 0.00 C ATOM 1132 C HIS A 72 7.264 -4.793 5.033 1.00 0.00 C ATOM 1133 O HIS A 72 7.329 -3.965 4.135 1.00 0.00 O ATOM 1134 CB HIS A 72 7.201 -3.041 6.764 1.00 0.00 C ATOM 1135 CG HIS A 72 7.103 -2.834 8.246 1.00 0.00 C ATOM 1136 ND1 HIS A 72 5.878 -2.724 8.897 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.060 -2.688 9.215 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.136 -2.515 10.202 1.00 0.00 C ATOM 1139 NE2 HIS A 72 7.449 -2.485 10.450 1.00 0.00 N ATOM 0 H HIS A 72 9.628 -3.559 6.111 1.00 0.00 H new ATOM 0 HA HIS A 72 7.417 -5.162 7.163 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.847 -2.277 6.332 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.216 -2.917 6.314 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.126 -2.725 9.047 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.374 -2.387 10.957 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.906 -2.344 11.351 1.00 0.00 H new ATOM 1148 N TYR A 73 6.695 -5.968 4.879 1.00 0.00 N ATOM 1149 CA TYR A 73 6.070 -6.338 3.624 1.00 0.00 C ATOM 1150 C TYR A 73 4.573 -6.266 3.798 1.00 0.00 C ATOM 1151 O TYR A 73 3.965 -7.182 4.355 1.00 0.00 O ATOM 1152 CB TYR A 73 6.467 -7.763 3.216 1.00 0.00 C ATOM 1153 CG TYR A 73 7.918 -7.805 2.796 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.276 -7.377 1.517 1.00 0.00 C ATOM 1155 CD2 TYR A 73 8.903 -8.273 3.678 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.607 -7.410 1.110 1.00 0.00 C ATOM 1157 CE2 TYR A 73 10.242 -8.305 3.261 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.589 -7.873 1.977 1.00 0.00 C ATOM 1159 OH TYR A 73 11.906 -7.897 1.573 1.00 0.00 O ATOM 0 H TYR A 73 6.651 -6.684 5.604 1.00 0.00 H new ATOM 0 HA TYR A 73 6.401 -5.654 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.303 -8.446 4.050 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.834 -8.103 2.396 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.516 -7.018 0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.633 -8.606 4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.876 -7.075 0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.007 -8.664 3.933 1.00 0.00 H new ATOM 0 HH TYR A 73 12.464 -8.247 2.298 1.00 0.00 H new ATOM 1169 N MET A 74 3.991 -5.150 3.403 1.00 0.00 N ATOM 1170 CA MET A 74 2.568 -4.923 3.593 1.00 0.00 C ATOM 1171 C MET A 74 1.908 -4.439 2.309 1.00 0.00 C ATOM 1172 O MET A 74 2.332 -3.438 1.716 1.00 0.00 O ATOM 1173 CB MET A 74 2.351 -3.903 4.717 1.00 0.00 C ATOM 1174 CG MET A 74 0.854 -3.713 4.983 1.00 0.00 C ATOM 1175 SD MET A 74 0.642 -2.556 6.355 1.00 0.00 S ATOM 1176 CE MET A 74 1.299 -1.093 5.513 1.00 0.00 C ATOM 0 H MET A 74 4.483 -4.382 2.946 1.00 0.00 H new ATOM 0 HA MET A 74 2.105 -5.870 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.848 -4.242 5.626 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.802 -2.949 4.444 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.358 -3.333 4.090 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.390 -4.670 5.222 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.951 -0.194 6.022 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.388 -1.122 5.530 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.953 -1.082 4.479 1.00 0.00 H new ATOM 1186 N ARG A 75 0.807 -5.072 1.949 1.00 0.00 N ATOM 1187 CA ARG A 75 0.008 -4.638 0.820 1.00 0.00 C ATOM 1188 C ARG A 75 -1.458 -4.648 1.199 1.00 0.00 C ATOM 1189 O ARG A 75 -1.879 -5.443 2.037 1.00 0.00 O ATOM 1190 CB ARG A 75 0.238 -5.536 -0.406 1.00 0.00 C ATOM 1191 CG ARG A 75 -0.259 -6.964 -0.114 1.00 0.00 C ATOM 1192 CD ARG A 75 -1.201 -7.414 -1.237 1.00 0.00 C ATOM 1193 NE ARG A 75 -0.463 -7.622 -2.482 1.00 0.00 N ATOM 1194 CZ ARG A 75 -1.095 -7.832 -3.642 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -2.400 -7.827 -3.683 1.00 0.00 N ATOM 1196 NH2 ARG A 75 -0.409 -8.032 -4.735 1.00 0.00 N ATOM 0 H ARG A 75 0.444 -5.896 2.428 1.00 0.00 H new ATOM 0 HA ARG A 75 0.312 -3.625 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.288 -5.128 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.298 -5.556 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.587 -7.647 -0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.778 -6.992 0.844 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.703 -8.337 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.977 -6.663 -1.390 1.00 0.00 H new ATOM 0 HE ARG A 75 0.557 -7.607 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.936 -7.663 -2.831 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.883 -7.987 -4.567 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.611 -8.028 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.893 -8.192 -5.619 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.231 -3.776 0.604 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.650 -3.734 0.889 1.00 0.00 C ATOM 1212 C PHE A 76 -4.464 -3.219 -0.273 1.00 0.00 C ATOM 1213 O PHE A 76 -3.946 -2.534 -1.160 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.949 -2.986 2.202 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.366 -1.588 2.188 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -2.063 -1.377 2.657 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -4.126 -0.504 1.730 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.521 -0.090 2.667 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.578 0.788 1.746 1.00 0.00 C ATOM 1220 CZ PHE A 76 -2.276 0.991 2.212 1.00 0.00 C ATOM 0 H PHE A 76 -1.909 -3.088 -0.077 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.969 -4.766 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.027 -2.931 2.353 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.537 -3.545 3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.476 -2.211 3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.130 -0.662 1.366 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.515 0.069 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.163 1.626 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.854 1.985 2.220 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.742 -3.538 -0.255 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.666 -3.107 -1.287 1.00 0.00 C ATOM 1232 C HIS A 77 -7.560 -2.013 -0.762 1.00 0.00 C ATOM 1233 O HIS A 77 -7.938 -2.017 0.419 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.520 -4.279 -1.794 1.00 0.00 C ATOM 1235 CG HIS A 77 -6.891 -4.905 -3.017 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -5.885 -5.868 -2.950 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -7.141 -4.728 -4.356 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -5.584 -6.221 -4.217 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.319 -5.557 -5.108 1.00 0.00 N ATOM 0 H HIS A 77 -6.171 -4.105 0.477 1.00 0.00 H new ATOM 0 HA HIS A 77 -6.080 -2.724 -2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.624 -5.027 -1.008 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.524 -3.928 -2.034 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -5.456 -6.237 -2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -7.870 -4.044 -4.764 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -4.836 -6.955 -4.478 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.903 -1.083 -1.624 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.776 0.002 -1.240 1.00 0.00 C ATOM 1250 C VAL A 78 -9.879 0.166 -2.264 1.00 0.00 C ATOM 1251 O VAL A 78 -9.687 -0.132 -3.445 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.980 1.319 -1.088 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.639 1.048 -0.392 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.721 1.953 -2.461 1.00 0.00 C ATOM 0 H VAL A 78 -7.591 -1.056 -2.595 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.223 -0.237 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.571 2.008 -0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.087 1.982 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.821 0.624 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.056 0.345 -0.987 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -7.160 2.879 -2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.147 1.262 -3.078 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.672 2.169 -2.947 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.975 0.748 -1.846 1.00 0.00 N ATOM 1265 CA GLU A 79 -12.041 1.058 -2.757 1.00 0.00 C ATOM 1266 C GLU A 79 -12.049 2.535 -3.052 1.00 0.00 C ATOM 1267 O GLU A 79 -12.204 3.370 -2.148 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.392 0.616 -2.207 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.459 -0.919 -2.175 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.780 -1.391 -1.597 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.694 -0.599 -1.510 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.861 -2.540 -1.230 1.00 0.00 O ATOM 0 H GLU A 79 -11.150 1.016 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.868 0.508 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.536 1.017 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -14.196 1.012 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.337 -1.313 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.635 -1.311 -1.578 1.00 0.00 H new ATOM 1279 N SER A 80 -11.864 2.848 -4.306 1.00 0.00 N ATOM 1280 CA SER A 80 -11.836 4.206 -4.767 1.00 0.00 C ATOM 1281 C SER A 80 -13.239 4.641 -5.121 1.00 0.00 C ATOM 1282 O SER A 80 -14.198 3.908 -4.879 1.00 0.00 O ATOM 1283 CB SER A 80 -10.915 4.320 -5.981 1.00 0.00 C ATOM 1284 OG SER A 80 -10.049 3.189 -6.044 1.00 0.00 O ATOM 0 H SER A 80 -11.727 2.157 -5.044 1.00 0.00 H new ATOM 0 HA SER A 80 -11.452 4.856 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.508 4.385 -6.893 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.327 5.236 -5.917 1.00 0.00 H new ATOM 0 HG SER A 80 -10.524 2.436 -6.454 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.373 5.822 -5.689 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.687 6.307 -6.031 1.00 0.00 C ATOM 1292 C LYS A 81 -15.312 5.421 -7.099 1.00 0.00 C ATOM 1293 O LYS A 81 -16.540 5.383 -7.236 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.642 7.751 -6.529 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.004 8.688 -5.481 1.00 0.00 C ATOM 1296 CD LYS A 81 -14.708 8.569 -4.119 1.00 0.00 C ATOM 1297 CE LYS A 81 -14.647 9.931 -3.402 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.240 9.791 -1.985 1.00 0.00 N ATOM 0 H LYS A 81 -12.603 6.450 -5.919 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.294 6.277 -5.126 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.073 7.800 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.652 8.091 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.947 8.445 -5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.058 9.719 -5.831 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.745 8.262 -4.257 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.227 7.802 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.943 10.582 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.624 10.412 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.112 10.734 -1.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.977 9.276 -1.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.345 9.264 -1.931 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.461 4.858 -7.968 1.00 0.00 N ATOM 1313 CA LYS A 82 -14.935 4.094 -9.125 1.00 0.00 C ATOM 1314 C LYS A 82 -14.256 2.726 -9.230 1.00 0.00 C ATOM 1315 O LYS A 82 -14.708 1.861 -9.989 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.701 4.903 -10.409 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.355 6.286 -10.247 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.876 6.127 -10.138 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.485 7.363 -9.471 1.00 0.00 C ATOM 1320 NZ LYS A 82 -18.133 6.940 -8.204 1.00 0.00 N ATOM 0 H LYS A 82 -13.446 4.918 -7.890 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.002 3.915 -8.991 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.633 5.010 -10.599 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.126 4.382 -11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.966 6.781 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.106 6.919 -11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.307 5.989 -11.129 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.116 5.235 -9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.713 8.106 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -18.214 7.830 -10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -18.568 7.765 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -18.866 6.231 -8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.419 6.527 -7.570 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.113 2.576 -8.569 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.332 1.349 -8.670 1.00 0.00 C ATOM 1336 C LYS A 83 -11.926 0.825 -7.307 1.00 0.00 C ATOM 1337 O LYS A 83 -11.780 1.595 -6.362 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.069 1.589 -9.473 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.449 1.975 -10.888 1.00 0.00 C ATOM 1340 CD LYS A 83 -10.191 2.069 -11.731 1.00 0.00 C ATOM 1341 CE LYS A 83 -10.575 2.509 -13.134 1.00 0.00 C ATOM 1342 NZ LYS A 83 -9.489 2.149 -14.086 1.00 0.00 N ATOM 0 H LYS A 83 -12.708 3.287 -7.959 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.968 0.614 -9.163 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.476 2.380 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.452 0.691 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.130 1.236 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.975 2.930 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.493 2.781 -11.290 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.685 1.104 -11.763 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.508 2.031 -13.433 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.748 3.585 -13.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.036 3.016 -14.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -8.782 1.562 -13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.890 1.618 -14.885 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.542 -0.433 -7.271 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.914 -1.011 -6.095 1.00 0.00 C ATOM 1358 C ILE A 84 -9.429 -1.135 -6.389 1.00 0.00 C ATOM 1359 O ILE A 84 -9.048 -1.723 -7.403 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.517 -2.386 -5.795 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -13.037 -2.326 -5.991 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -11.208 -2.779 -4.349 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.392 -2.839 -7.388 1.00 0.00 C ATOM 0 H ILE A 84 -11.654 -1.083 -8.049 1.00 0.00 H new ATOM 0 HA ILE A 84 -11.078 -0.381 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.087 -3.126 -6.471 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.536 -2.929 -5.233 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.390 -1.302 -5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.638 -3.758 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -10.128 -2.819 -4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.637 -2.041 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.472 -2.797 -7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -12.904 -2.217 -8.139 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.053 -3.869 -7.494 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.610 -0.475 -5.593 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.179 -0.379 -5.879 1.00 0.00 C ATOM 1377 C ALA A 85 -6.341 -1.171 -4.898 1.00 0.00 C ATOM 1378 O ALA A 85 -6.750 -1.412 -3.767 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.724 1.085 -5.882 1.00 0.00 C ATOM 0 H ALA A 85 -8.904 0.005 -4.742 1.00 0.00 H new ATOM 0 HA ALA A 85 -7.028 -0.810 -6.869 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.656 1.134 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.273 1.635 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.918 1.528 -4.905 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.140 -1.505 -5.331 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.165 -2.219 -4.518 1.00 0.00 C ATOM 1387 C LEU A 86 -3.007 -1.311 -4.138 1.00 0.00 C ATOM 1388 O LEU A 86 -2.425 -0.640 -4.994 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.662 -3.456 -5.281 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.331 -3.968 -4.702 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.524 -4.457 -3.274 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.811 -5.118 -5.566 1.00 0.00 C ATOM 0 H LEU A 86 -4.807 -1.286 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.646 -2.544 -3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.411 -4.246 -5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.531 -3.208 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.611 -3.150 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.573 -4.815 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.887 -3.637 -2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.251 -5.269 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.868 -5.482 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.541 -5.928 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.653 -4.765 -6.585 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.665 -1.311 -2.861 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.558 -0.520 -2.363 1.00 0.00 C ATOM 1406 C VAL A 87 -0.503 -1.462 -1.780 1.00 0.00 C ATOM 1407 O VAL A 87 -0.828 -2.341 -0.966 1.00 0.00 O ATOM 1408 CB VAL A 87 -2.064 0.441 -1.269 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.886 1.154 -0.598 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -3.033 1.476 -1.866 1.00 0.00 C ATOM 0 H VAL A 87 -3.145 -1.857 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.121 0.064 -3.173 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.596 -0.144 -0.519 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.260 1.829 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.225 0.416 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.334 1.725 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.380 2.146 -1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.520 2.054 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.887 0.962 -2.308 1.00 0.00 H new ATOM 1420 N HIS A 88 0.746 -1.286 -2.197 1.00 0.00 N ATOM 1421 CA HIS A 88 1.849 -2.117 -1.714 1.00 0.00 C ATOM 1422 C HIS A 88 2.951 -1.242 -1.146 1.00 0.00 C ATOM 1423 O HIS A 88 3.551 -0.445 -1.873 1.00 0.00 O ATOM 1424 CB HIS A 88 2.396 -2.984 -2.858 1.00 0.00 C ATOM 1425 CG HIS A 88 3.467 -3.927 -2.352 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.273 -4.650 -3.218 1.00 0.00 N ATOM 1427 CD2 HIS A 88 3.882 -4.271 -1.084 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.124 -5.380 -2.471 1.00 0.00 C ATOM 1429 NE2 HIS A 88 4.929 -5.188 -1.166 1.00 0.00 N ATOM 0 H HIS A 88 1.023 -0.573 -2.871 1.00 0.00 H new ATOM 0 HA HIS A 88 1.479 -2.771 -0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.584 -3.556 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.807 -2.345 -3.640 1.00 0.00 H new ATOM 0 HD1 HIS A 88 4.230 -4.632 -4.237 1.00 0.00 H new ATOM 0 HD2 HIS A 88 3.460 -3.889 -0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.874 -6.041 -2.880 1.00 0.00 H new ATOM 1438 N LEU A 89 3.210 -1.390 0.149 1.00 0.00 N ATOM 1439 CA LEU A 89 4.242 -0.615 0.827 1.00 0.00 C ATOM 1440 C LEU A 89 5.282 -1.518 1.466 1.00 0.00 C ATOM 1441 O LEU A 89 4.957 -2.317 2.354 1.00 0.00 O ATOM 1442 CB LEU A 89 3.621 0.279 1.915 1.00 0.00 C ATOM 1443 CG LEU A 89 4.721 1.146 2.575 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.474 2.628 2.297 1.00 0.00 C ATOM 1445 CD2 LEU A 89 4.740 0.899 4.085 1.00 0.00 C ATOM 0 H LEU A 89 2.715 -2.045 0.754 1.00 0.00 H new ATOM 0 HA LEU A 89 4.727 0.005 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.854 0.919 1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.131 -0.337 2.668 1.00 0.00 H new ATOM 0 HG LEU A 89 5.685 0.867 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.257 3.222 2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.484 2.803 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.505 2.918 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.516 1.512 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 89 3.771 1.163 4.509 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.947 -0.154 4.279 1.00 0.00 H new ATOM 1457 N GLU A 90 6.538 -1.248 1.166 1.00 0.00 N ATOM 1458 CA GLU A 90 7.633 -1.858 1.885 1.00 0.00 C ATOM 1459 C GLU A 90 8.421 -0.816 2.630 1.00 0.00 C ATOM 1460 O GLU A 90 8.863 0.188 2.054 1.00 0.00 O ATOM 1461 CB GLU A 90 8.557 -2.672 0.987 1.00 0.00 C ATOM 1462 CG GLU A 90 7.869 -3.979 0.580 1.00 0.00 C ATOM 1463 CD GLU A 90 8.767 -4.778 -0.337 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.969 -4.552 -0.309 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.259 -5.633 -1.030 1.00 0.00 O ATOM 0 H GLU A 90 6.823 -0.607 0.426 1.00 0.00 H new ATOM 0 HA GLU A 90 7.186 -2.555 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.816 -2.095 0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.489 -2.889 1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.630 -4.565 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.926 -3.761 0.078 1.00 0.00 H new ATOM 1472 N ALA A 91 8.646 -1.079 3.886 1.00 0.00 N ATOM 1473 CA ALA A 91 9.437 -0.219 4.730 1.00 0.00 C ATOM 1474 C ALA A 91 10.282 -1.083 5.623 1.00 0.00 C ATOM 1475 O ALA A 91 9.958 -2.252 5.818 1.00 0.00 O ATOM 1476 CB ALA A 91 8.529 0.679 5.580 1.00 0.00 C ATOM 0 H ALA A 91 8.283 -1.905 4.361 1.00 0.00 H new ATOM 0 HA ALA A 91 10.069 0.422 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.142 1.322 6.212 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.911 1.295 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.888 0.059 6.207 1.00 0.00 H new ATOM 1482 N LYS A 92 11.350 -0.546 6.174 1.00 0.00 N ATOM 1483 CA LYS A 92 12.157 -1.348 7.077 1.00 0.00 C ATOM 1484 C LYS A 92 12.445 -0.654 8.385 1.00 0.00 C ATOM 1485 O LYS A 92 12.869 0.510 8.409 1.00 0.00 O ATOM 1486 CB LYS A 92 13.449 -1.869 6.426 1.00 0.00 C ATOM 1487 CG LYS A 92 14.366 -0.720 5.981 1.00 0.00 C ATOM 1488 CD LYS A 92 15.737 -1.310 5.598 1.00 0.00 C ATOM 1489 CE LYS A 92 16.600 -0.254 4.900 1.00 0.00 C ATOM 1490 NZ LYS A 92 16.237 -0.184 3.456 1.00 0.00 N ATOM 0 H LYS A 92 11.674 0.409 6.022 1.00 0.00 H new ATOM 0 HA LYS A 92 11.542 -2.218 7.307 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.981 -2.506 7.133 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.198 -2.488 5.565 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.929 -0.194 5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.478 0.008 6.784 1.00 0.00 H new ATOM 0 HD2 LYS A 92 16.246 -1.672 6.491 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.599 -2.168 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.453 0.719 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.656 -0.503 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 17.092 -0.309 2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.555 -0.936 3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.811 0.742 3.250 1.00 0.00 H new ATOM 1504 N GLU A 93 12.338 -1.409 9.465 1.00 0.00 N ATOM 1505 CA GLU A 93 12.721 -0.907 10.762 1.00 0.00 C ATOM 1506 C GLU A 93 14.194 -1.150 10.900 1.00 0.00 C ATOM 1507 O GLU A 93 14.680 -2.248 10.573 1.00 0.00 O ATOM 1508 CB GLU A 93 11.989 -1.648 11.896 1.00 0.00 C ATOM 1509 CG GLU A 93 10.474 -1.700 11.620 1.00 0.00 C ATOM 1510 CD GLU A 93 9.746 -2.439 12.723 1.00 0.00 C ATOM 1511 OE1 GLU A 93 10.381 -2.865 13.660 1.00 0.00 O ATOM 1512 OE2 GLU A 93 8.549 -2.563 12.622 1.00 0.00 O ATOM 0 H GLU A 93 11.990 -2.368 9.464 1.00 0.00 H new ATOM 0 HA GLU A 93 12.464 0.149 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.382 -2.660 11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.174 -1.145 12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.081 -0.687 11.536 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.291 -2.193 10.665 1.00 0.00 H new ATOM 1519 N SER A 94 14.903 -0.161 11.367 1.00 0.00 N ATOM 1520 CA SER A 94 16.317 -0.290 11.537 1.00 0.00 C ATOM 1521 C SER A 94 16.593 -1.391 12.518 1.00 0.00 C ATOM 1522 O SER A 94 16.938 -2.514 12.143 1.00 0.00 O ATOM 1523 CB SER A 94 16.880 1.018 12.069 1.00 0.00 C ATOM 1524 OG SER A 94 15.814 1.834 12.561 1.00 0.00 O ATOM 0 H SER A 94 14.520 0.745 11.637 1.00 0.00 H new ATOM 0 HA SER A 94 16.786 -0.524 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 94 17.597 0.820 12.866 1.00 0.00 H new ATOM 0 HB3 SER A 94 17.418 1.542 11.279 1.00 0.00 H new ATOM 0 HG SER A 94 16.153 2.732 12.756 1.00 0.00 H new ATOM 1530 N LYS A 95 16.380 -1.086 13.772 1.00 0.00 N ATOM 1531 CA LYS A 95 16.564 -2.041 14.814 1.00 0.00 C ATOM 1532 C LYS A 95 15.429 -1.942 15.825 1.00 0.00 C ATOM 1533 O LYS A 95 14.621 -2.863 15.958 1.00 0.00 O ATOM 1534 CB LYS A 95 17.929 -1.822 15.482 1.00 0.00 C ATOM 1535 CG LYS A 95 18.648 -3.169 15.634 1.00 0.00 C ATOM 1536 CD LYS A 95 19.094 -3.680 14.246 1.00 0.00 C ATOM 1537 CE LYS A 95 18.495 -5.070 13.985 1.00 0.00 C ATOM 1538 NZ LYS A 95 18.687 -5.947 15.171 1.00 0.00 N ATOM 0 H LYS A 95 16.074 -0.167 14.091 1.00 0.00 H new ATOM 0 HA LYS A 95 16.547 -3.046 14.393 1.00 0.00 H new ATOM 0 HB2 LYS A 95 18.534 -1.141 14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 95 17.797 -1.356 16.459 1.00 0.00 H new ATOM 0 HG2 LYS A 95 19.514 -3.059 16.287 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.985 -3.895 16.104 1.00 0.00 H new ATOM 0 HD2 LYS A 95 18.772 -2.984 13.472 1.00 0.00 H new ATOM 0 HD3 LYS A 95 20.182 -3.728 14.199 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.432 -4.979 13.760 1.00 0.00 H new ATOM 0 HE3 LYS A 95 18.968 -5.519 13.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 18.751 -6.938 14.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 19.564 -5.680 15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.881 -5.837 15.818 1.00 0.00 H new ATOM 1552 N GLN A 96 15.361 -0.813 16.515 1.00 0.00 N ATOM 1553 CA GLN A 96 14.321 -0.577 17.517 1.00 0.00 C ATOM 1554 C GLN A 96 13.492 0.657 17.167 1.00 0.00 C ATOM 1555 O GLN A 96 12.708 1.153 17.988 1.00 0.00 O ATOM 1556 CB GLN A 96 14.960 -0.421 18.897 1.00 0.00 C ATOM 1557 CG GLN A 96 15.897 -1.613 19.158 1.00 0.00 C ATOM 1558 CD GLN A 96 17.326 -1.119 19.302 1.00 0.00 C ATOM 1559 OE1 GLN A 96 18.273 -1.705 18.644 1.00 0.00 O flip ATOM 1560 NE2 GLN A 96 17.586 -0.160 20.029 1.00 0.00 N flip ATOM 0 H GLN A 96 16.016 -0.039 16.401 1.00 0.00 H new ATOM 0 HA GLN A 96 13.649 -1.435 17.530 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.518 0.514 18.949 1.00 0.00 H new ATOM 0 HB3 GLN A 96 14.188 -0.375 19.665 1.00 0.00 H new ATOM 0 HG2 GLN A 96 15.590 -2.138 20.063 1.00 0.00 H new ATOM 0 HG3 GLN A 96 15.830 -2.327 18.337 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.840 0.303 20.548 1.00 0.00 H new ATOM 0 HE22 GLN A 96 18.547 0.171 20.112 1.00 0.00 H new ATOM 1569 N ASN A 97 13.712 1.189 15.972 1.00 0.00 N ATOM 1570 CA ASN A 97 13.009 2.395 15.525 1.00 0.00 C ATOM 1571 C ASN A 97 11.508 2.165 15.503 1.00 0.00 C ATOM 1572 O ASN A 97 11.041 1.088 15.129 1.00 0.00 O ATOM 1573 CB ASN A 97 13.485 2.823 14.135 1.00 0.00 C ATOM 1574 CG ASN A 97 12.882 4.171 13.746 1.00 0.00 C ATOM 1575 OD1 ASN A 97 12.066 4.731 14.482 1.00 0.00 O ATOM 1576 ND2 ASN A 97 13.233 4.725 12.632 1.00 0.00 N ATOM 0 H ASN A 97 14.370 0.809 15.292 1.00 0.00 H new ATOM 0 HA ASN A 97 13.236 3.192 16.234 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.573 2.889 14.123 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.203 2.068 13.401 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.835 5.625 12.362 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.908 4.262 12.023 1.00 0.00 H new ATOM 1583 N TYR A 98 10.772 3.162 15.951 1.00 0.00 N ATOM 1584 CA TYR A 98 9.324 3.090 16.053 1.00 0.00 C ATOM 1585 C TYR A 98 8.692 2.867 14.694 1.00 0.00 C ATOM 1586 O TYR A 98 7.793 2.031 14.540 1.00 0.00 O ATOM 1587 CB TYR A 98 8.795 4.394 16.645 1.00 0.00 C ATOM 1588 CG TYR A 98 9.329 4.551 18.044 1.00 0.00 C ATOM 1589 CD1 TYR A 98 10.604 5.098 18.245 1.00 0.00 C ATOM 1590 CD2 TYR A 98 8.551 4.164 19.139 1.00 0.00 C ATOM 1591 CE1 TYR A 98 11.097 5.249 19.541 1.00 0.00 C ATOM 1592 CE2 TYR A 98 9.047 4.314 20.434 1.00 0.00 C ATOM 1593 CZ TYR A 98 10.319 4.857 20.635 1.00 0.00 C ATOM 1594 OH TYR A 98 10.804 5.010 21.913 1.00 0.00 O ATOM 0 H TYR A 98 11.163 4.053 16.258 1.00 0.00 H new ATOM 0 HA TYR A 98 9.065 2.249 16.697 1.00 0.00 H new ATOM 0 HB2 TYR A 98 9.102 5.239 16.028 1.00 0.00 H new ATOM 0 HB3 TYR A 98 7.705 4.387 16.657 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.203 5.402 17.399 1.00 0.00 H new ATOM 0 HD2 TYR A 98 7.566 3.749 18.982 1.00 0.00 H new ATOM 0 HE1 TYR A 98 12.079 5.669 19.700 1.00 0.00 H new ATOM 0 HE2 TYR A 98 8.449 4.011 21.280 1.00 0.00 H new ATOM 0 HH TYR A 98 10.138 4.689 22.556 1.00 0.00 H new ATOM 1604 N GLN A 99 9.141 3.632 13.712 1.00 0.00 N ATOM 1605 CA GLN A 99 8.603 3.521 12.371 1.00 0.00 C ATOM 1606 C GLN A 99 9.662 3.076 11.376 1.00 0.00 C ATOM 1607 O GLN A 99 10.755 3.646 11.315 1.00 0.00 O ATOM 1608 CB GLN A 99 7.947 4.831 11.924 1.00 0.00 C ATOM 1609 CG GLN A 99 6.616 5.025 12.668 1.00 0.00 C ATOM 1610 CD GLN A 99 5.612 3.957 12.240 1.00 0.00 C ATOM 1611 OE1 GLN A 99 4.768 4.207 11.388 1.00 0.00 O ATOM 1612 NE2 GLN A 99 5.657 2.778 12.778 1.00 0.00 N ATOM 0 H GLN A 99 9.874 4.333 13.820 1.00 0.00 H new ATOM 0 HA GLN A 99 7.832 2.751 12.397 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.613 5.670 12.126 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.774 4.813 10.848 1.00 0.00 H new ATOM 0 HG2 GLN A 99 6.781 4.969 13.744 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.215 6.017 12.458 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.359 2.568 13.488 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.991 2.061 12.492 1.00 0.00 H new ATOM 1621 N PRO A 100 9.342 2.096 10.580 1.00 0.00 N ATOM 1622 CA PRO A 100 10.260 1.584 9.532 1.00 0.00 C ATOM 1623 C PRO A 100 10.501 2.614 8.440 1.00 0.00 C ATOM 1624 O PRO A 100 9.618 3.420 8.122 1.00 0.00 O ATOM 1625 CB PRO A 100 9.514 0.374 8.973 1.00 0.00 C ATOM 1626 CG PRO A 100 8.075 0.715 9.162 1.00 0.00 C ATOM 1627 CD PRO A 100 8.008 1.468 10.482 1.00 0.00 C ATOM 0 HA PRO A 100 11.248 1.344 9.926 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.750 0.211 7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.780 -0.539 9.505 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.706 1.329 8.340 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.459 -0.184 9.191 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.212 2.212 10.481 1.00 0.00 H new ATOM 0 HD3 PRO A 100 7.816 0.797 11.319 1.00 0.00 H new ATOM 1635 N ASP A 101 11.660 2.535 7.819 1.00 0.00 N ATOM 1636 CA ASP A 101 11.989 3.407 6.707 1.00 0.00 C ATOM 1637 C ASP A 101 11.224 2.956 5.491 1.00 0.00 C ATOM 1638 O ASP A 101 11.319 1.790 5.115 1.00 0.00 O ATOM 1639 CB ASP A 101 13.482 3.323 6.383 1.00 0.00 C ATOM 1640 CG ASP A 101 13.866 4.434 5.425 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.293 5.491 5.513 1.00 0.00 O ATOM 1642 OD2 ASP A 101 14.736 4.216 4.613 1.00 0.00 O ATOM 0 H ASP A 101 12.395 1.872 8.066 1.00 0.00 H new ATOM 0 HA ASP A 101 11.731 4.431 6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 101 14.067 3.403 7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.713 2.354 5.941 1.00 0.00 H new ATOM 1647 N PHE A 102 10.508 3.861 4.843 1.00 0.00 N ATOM 1648 CA PHE A 102 9.778 3.486 3.645 1.00 0.00 C ATOM 1649 C PHE A 102 10.770 3.119 2.567 1.00 0.00 C ATOM 1650 O PHE A 102 11.670 3.910 2.234 1.00 0.00 O ATOM 1651 CB PHE A 102 8.884 4.640 3.152 1.00 0.00 C ATOM 1652 CG PHE A 102 7.786 4.916 4.157 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.804 3.950 4.405 1.00 0.00 C ATOM 1654 CD2 PHE A 102 7.741 6.143 4.831 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.784 4.210 5.327 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.721 6.401 5.754 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.742 5.434 6.002 1.00 0.00 C ATOM 0 H PHE A 102 10.418 4.839 5.119 1.00 0.00 H new ATOM 0 HA PHE A 102 9.135 2.637 3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 102 9.485 5.537 3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 102 8.448 4.385 2.186 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.834 3.004 3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 102 8.495 6.892 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.027 3.463 5.518 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.690 7.347 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.954 5.632 6.714 1.00 0.00 H new ATOM 1667 N ILE A 103 10.652 1.909 2.059 1.00 0.00 N ATOM 1668 CA ILE A 103 11.557 1.435 1.047 1.00 0.00 C ATOM 1669 C ILE A 103 10.909 1.540 -0.306 1.00 0.00 C ATOM 1670 O ILE A 103 11.338 2.320 -1.134 1.00 0.00 O ATOM 1671 CB ILE A 103 11.975 -0.016 1.338 1.00 0.00 C ATOM 1672 CG1 ILE A 103 12.729 -0.066 2.672 1.00 0.00 C ATOM 1673 CG2 ILE A 103 12.896 -0.525 0.222 1.00 0.00 C ATOM 1674 CD1 ILE A 103 12.922 -1.521 3.098 1.00 0.00 C ATOM 0 H ILE A 103 9.934 1.239 2.335 1.00 0.00 H new ATOM 0 HA ILE A 103 12.454 2.054 1.055 1.00 0.00 H new ATOM 0 HB ILE A 103 11.085 -0.644 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 103 13.697 0.426 2.573 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.173 0.476 3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.189 -1.553 0.433 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.368 -0.486 -0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.786 0.103 0.170 1.00 0.00 H new ATOM 0 HD11 ILE A 103 13.458 -1.554 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.949 -1.998 3.214 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.497 -2.050 2.338 1.00 0.00 H new ATOM 1686 N ASN A 104 9.804 0.846 -0.477 1.00 0.00 N ATOM 1687 CA ASN A 104 9.058 0.889 -1.725 1.00 0.00 C ATOM 1688 C ASN A 104 7.592 1.068 -1.436 1.00 0.00 C ATOM 1689 O ASN A 104 7.070 0.504 -0.468 1.00 0.00 O ATOM 1690 CB ASN A 104 9.248 -0.409 -2.507 1.00 0.00 C ATOM 1691 CG ASN A 104 8.794 -0.210 -3.949 1.00 0.00 C ATOM 1692 OD1 ASN A 104 7.769 0.414 -4.207 1.00 0.00 O ATOM 1693 ND2 ASN A 104 9.503 -0.695 -4.904 1.00 0.00 N ATOM 0 H ASN A 104 9.397 0.240 0.236 1.00 0.00 H new ATOM 0 HA ASN A 104 9.429 1.726 -2.317 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.296 -0.709 -2.483 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.676 -1.212 -2.043 1.00 0.00 H new ATOM 0 HD21 ASN A 104 9.214 -0.561 -5.873 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.355 -1.214 -4.693 1.00 0.00 H new ATOM 1700 N MET A 105 6.925 1.827 -2.270 1.00 0.00 N ATOM 1701 CA MET A 105 5.497 2.044 -2.129 1.00 0.00 C ATOM 1702 C MET A 105 4.870 2.387 -3.468 1.00 0.00 C ATOM 1703 O MET A 105 5.197 3.426 -4.074 1.00 0.00 O ATOM 1704 CB MET A 105 5.209 3.135 -1.076 1.00 0.00 C ATOM 1705 CG MET A 105 3.748 3.600 -1.168 1.00 0.00 C ATOM 1706 SD MET A 105 2.638 2.263 -0.662 1.00 0.00 S ATOM 1707 CE MET A 105 1.631 3.227 0.492 1.00 0.00 C ATOM 0 H MET A 105 7.348 2.311 -3.062 1.00 0.00 H new ATOM 0 HA MET A 105 5.043 1.118 -1.778 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.411 2.747 -0.078 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.877 3.983 -1.230 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.595 4.471 -0.531 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.519 3.907 -2.189 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.647 2.767 0.588 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.117 3.251 1.467 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.521 4.244 0.117 1.00 0.00 H new ATOM 1717 N TYR A 106 3.919 1.569 -3.891 1.00 0.00 N ATOM 1718 CA TYR A 106 3.207 1.816 -5.134 1.00 0.00 C ATOM 1719 C TYR A 106 1.749 1.423 -5.021 1.00 0.00 C ATOM 1720 O TYR A 106 1.363 0.643 -4.139 1.00 0.00 O ATOM 1721 CB TYR A 106 3.868 1.096 -6.322 1.00 0.00 C ATOM 1722 CG TYR A 106 3.866 -0.402 -6.117 1.00 0.00 C ATOM 1723 CD1 TYR A 106 4.942 -1.024 -5.473 1.00 0.00 C ATOM 1724 CD2 TYR A 106 2.793 -1.173 -6.586 1.00 0.00 C ATOM 1725 CE1 TYR A 106 4.946 -2.410 -5.297 1.00 0.00 C ATOM 1726 CE2 TYR A 106 2.799 -2.559 -6.413 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.874 -3.178 -5.769 1.00 0.00 C ATOM 1728 OH TYR A 106 3.881 -4.548 -5.600 1.00 0.00 O ATOM 0 H TYR A 106 3.623 0.730 -3.393 1.00 0.00 H new ATOM 0 HA TYR A 106 3.259 2.888 -5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.337 1.341 -7.242 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.892 1.449 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.770 -0.432 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.961 -0.695 -7.082 1.00 0.00 H new ATOM 0 HE1 TYR A 106 5.775 -2.889 -4.797 1.00 0.00 H new ATOM 0 HE2 TYR A 106 1.973 -3.152 -6.777 1.00 0.00 H new ATOM 0 HH TYR A 106 3.064 -4.929 -5.983 1.00 0.00 H new ATOM 1738 N VAL A 107 0.942 1.980 -5.900 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.479 1.721 -5.908 1.00 0.00 C ATOM 1740 C VAL A 107 -0.889 1.126 -7.242 1.00 0.00 C ATOM 1741 O VAL A 107 -0.552 1.666 -8.308 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.242 3.027 -5.633 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.740 2.840 -5.890 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.018 3.439 -4.179 1.00 0.00 C ATOM 0 H VAL A 107 1.254 2.624 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.724 1.003 -5.125 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.871 3.803 -6.302 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.263 3.775 -5.690 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.898 2.551 -6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.127 2.060 -5.234 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.556 4.365 -3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.385 2.654 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.047 3.593 -4.004 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.617 0.028 -7.180 1.00 0.00 N ATOM 1755 CA ASP A 108 -2.098 -0.645 -8.371 1.00 0.00 C ATOM 1756 C ASP A 108 -3.599 -0.446 -8.501 1.00 0.00 C ATOM 1757 O ASP A 108 -4.378 -1.051 -7.752 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.776 -2.145 -8.297 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.915 -2.800 -9.662 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -1.713 -2.127 -10.658 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -2.211 -3.972 -9.701 1.00 0.00 O ATOM 0 H ASP A 108 -1.891 -0.421 -6.306 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.601 -0.220 -9.243 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.761 -2.285 -7.924 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.446 -2.630 -7.587 1.00 0.00 H new ATOM 1766 N VAL A 109 -4.012 0.368 -9.452 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.428 0.603 -9.694 1.00 0.00 C ATOM 1768 C VAL A 109 -5.857 -0.126 -10.961 1.00 0.00 C ATOM 1769 O VAL A 109 -5.141 -0.105 -11.959 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.712 2.107 -9.823 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -7.216 2.365 -9.698 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.965 2.875 -8.725 1.00 0.00 C ATOM 0 H VAL A 109 -3.387 0.881 -10.074 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.999 0.220 -8.848 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.368 2.450 -10.799 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.411 3.433 -9.790 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.744 1.830 -10.488 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.566 2.015 -8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.171 3.941 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.299 2.529 -7.747 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.893 2.702 -8.824 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.964 -0.819 -10.931 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.406 -1.612 -12.116 1.00 0.00 C ATOM 1784 C PRO A 110 -7.577 -0.733 -13.348 1.00 0.00 C ATOM 1785 O PRO A 110 -8.096 0.387 -13.263 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.749 -2.201 -11.678 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.662 -2.261 -10.192 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.847 -1.047 -9.771 1.00 0.00 C ATOM 0 HA PRO A 110 -6.678 -2.372 -12.401 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.581 -1.576 -12.002 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.907 -3.191 -12.107 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.654 -2.240 -9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.184 -3.185 -9.866 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.482 -0.184 -9.572 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.277 -1.239 -8.862 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.137 -1.239 -14.481 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.230 -0.512 -15.741 1.00 0.00 C ATOM 1798 C GLY A 111 -6.208 0.614 -15.809 1.00 0.00 C ATOM 1799 O GLY A 111 -5.844 1.064 -16.899 1.00 0.00 O ATOM 0 H GLY A 111 -6.706 -2.160 -14.560 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.072 -1.199 -16.572 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.234 -0.102 -15.853 1.00 0.00 H new ATOM 1803 N GLU A 112 -5.712 1.047 -14.653 1.00 0.00 N ATOM 1804 CA GLU A 112 -4.711 2.106 -14.600 1.00 0.00 C ATOM 1805 C GLU A 112 -3.347 1.495 -14.335 1.00 0.00 C ATOM 1806 O GLU A 112 -3.245 0.463 -13.671 1.00 0.00 O ATOM 1807 CB GLU A 112 -5.029 3.101 -13.473 1.00 0.00 C ATOM 1808 CG GLU A 112 -6.534 3.426 -13.434 1.00 0.00 C ATOM 1809 CD GLU A 112 -6.980 4.095 -14.716 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -6.350 5.049 -15.122 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -7.950 3.650 -15.277 1.00 0.00 O ATOM 0 H GLU A 112 -5.987 0.681 -13.742 1.00 0.00 H new ATOM 0 HA GLU A 112 -4.717 2.633 -15.554 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -4.718 2.683 -12.515 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -4.459 4.018 -13.621 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -7.103 2.509 -13.281 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.747 4.078 -12.587 1.00 0.00 H new ATOM 1818 N LYS A 113 -2.300 2.123 -14.838 1.00 0.00 N ATOM 1819 CA LYS A 113 -0.963 1.617 -14.611 1.00 0.00 C ATOM 1820 C LYS A 113 -0.582 1.812 -13.157 1.00 0.00 C ATOM 1821 O LYS A 113 -0.956 2.813 -12.535 1.00 0.00 O ATOM 1822 CB LYS A 113 0.063 2.321 -15.501 1.00 0.00 C ATOM 1823 CG LYS A 113 -0.468 2.429 -16.933 1.00 0.00 C ATOM 1824 CD LYS A 113 -1.007 1.075 -17.390 1.00 0.00 C ATOM 1825 CE LYS A 113 -1.022 1.014 -18.917 1.00 0.00 C ATOM 1826 NZ LYS A 113 -1.581 2.283 -19.461 1.00 0.00 N ATOM 0 H LYS A 113 -2.349 2.973 -15.399 1.00 0.00 H new ATOM 0 HA LYS A 113 -0.961 0.556 -14.861 1.00 0.00 H new ATOM 0 HB2 LYS A 113 0.276 3.315 -15.108 1.00 0.00 H new ATOM 0 HB3 LYS A 113 1.002 1.768 -15.494 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -1.257 3.180 -16.982 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.328 2.758 -17.601 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -0.387 0.273 -16.991 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -2.014 0.924 -17.001 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -0.012 0.858 -19.295 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.622 0.167 -19.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -1.922 2.125 -20.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.372 2.598 -18.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -0.840 3.013 -19.469 1.00 0.00 H new ATOM 1840 N ARG A 114 0.161 0.861 -12.631 1.00 0.00 N ATOM 1841 CA ARG A 114 0.611 0.904 -11.250 1.00 0.00 C ATOM 1842 C ARG A 114 1.373 2.194 -10.977 1.00 0.00 C ATOM 1843 O ARG A 114 2.196 2.627 -11.794 1.00 0.00 O ATOM 1844 CB ARG A 114 1.476 -0.332 -10.963 1.00 0.00 C ATOM 1845 CG ARG A 114 2.629 -0.408 -11.980 1.00 0.00 C ATOM 1846 CD ARG A 114 3.196 -1.830 -12.014 1.00 0.00 C ATOM 1847 NE ARG A 114 4.295 -1.913 -12.976 1.00 0.00 N ATOM 1848 CZ ARG A 114 5.576 -1.936 -12.611 1.00 0.00 C ATOM 1849 NH1 ARG A 114 5.893 -1.955 -11.348 1.00 0.00 N ATOM 1850 NH2 ARG A 114 6.504 -1.956 -13.517 1.00 0.00 N ATOM 0 H ARG A 114 0.471 0.037 -13.145 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.251 0.890 -10.582 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.875 -0.281 -9.950 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.868 -1.235 -11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 114 2.272 -0.125 -12.970 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.413 0.300 -11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.549 -2.112 -11.022 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.411 -2.536 -12.286 1.00 0.00 H new ATOM 0 HE ARG A 114 4.071 -1.955 -13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 114 5.160 -1.952 -10.638 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.874 -1.973 -11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.252 -1.954 -14.505 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.486 -1.974 -13.241 1.00 0.00 H new ATOM 1864 N TYR A 115 1.034 2.847 -9.881 1.00 0.00 N ATOM 1865 CA TYR A 115 1.625 4.134 -9.534 1.00 0.00 C ATOM 1866 C TYR A 115 2.613 3.956 -8.398 1.00 0.00 C ATOM 1867 O TYR A 115 2.243 3.477 -7.328 1.00 0.00 O ATOM 1868 CB TYR A 115 0.509 5.100 -9.107 1.00 0.00 C ATOM 1869 CG TYR A 115 1.055 6.486 -8.827 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.192 7.410 -9.868 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.406 6.851 -7.520 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.675 8.695 -9.606 1.00 0.00 C ATOM 1873 CE2 TYR A 115 1.894 8.137 -7.261 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.026 9.059 -8.304 1.00 0.00 C ATOM 1875 OH TYR A 115 2.495 10.332 -8.048 1.00 0.00 O ATOM 0 H TYR A 115 0.347 2.507 -9.208 1.00 0.00 H new ATOM 0 HA TYR A 115 2.150 4.541 -10.398 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.246 5.156 -9.891 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.014 4.715 -8.215 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.924 7.130 -10.876 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.300 6.141 -6.714 1.00 0.00 H new ATOM 0 HE1 TYR A 115 1.777 9.407 -10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.169 8.417 -6.255 1.00 0.00 H new ATOM 0 HH TYR A 115 2.313 10.909 -8.819 1.00 0.00 H new ATOM 1885 N TYR A 116 3.844 4.396 -8.601 1.00 0.00 N ATOM 1886 CA TYR A 116 4.854 4.314 -7.552 1.00 0.00 C ATOM 1887 C TYR A 116 4.914 5.599 -6.775 1.00 0.00 C ATOM 1888 O TYR A 116 5.607 6.547 -7.170 1.00 0.00 O ATOM 1889 CB TYR A 116 6.234 4.015 -8.136 1.00 0.00 C ATOM 1890 CG TYR A 116 6.394 2.540 -8.382 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.845 1.953 -9.521 1.00 0.00 C ATOM 1892 CD2 TYR A 116 7.112 1.762 -7.470 1.00 0.00 C ATOM 1893 CE1 TYR A 116 6.018 0.588 -9.752 1.00 0.00 C ATOM 1894 CE2 TYR A 116 7.281 0.401 -7.696 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.737 -0.190 -8.834 1.00 0.00 C ATOM 1896 OH TYR A 116 6.922 -1.539 -9.058 1.00 0.00 O ATOM 0 H TYR A 116 4.169 4.811 -9.474 1.00 0.00 H new ATOM 0 HA TYR A 116 4.569 3.499 -6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.366 4.562 -9.070 1.00 0.00 H new ATOM 0 HB3 TYR A 116 7.008 4.361 -7.451 1.00 0.00 H new ATOM 0 HD1 TYR A 116 5.287 2.554 -10.224 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.536 2.219 -6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 116 5.599 0.132 -10.636 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.835 -0.199 -6.989 1.00 0.00 H new ATOM 0 HH TYR A 116 7.443 -1.924 -8.323 1.00 0.00 H new ATOM 1906 N LEU A 117 4.280 5.602 -5.623 1.00 0.00 N ATOM 1907 CA LEU A 117 4.330 6.745 -4.743 1.00 0.00 C ATOM 1908 C LEU A 117 5.761 6.976 -4.293 1.00 0.00 C ATOM 1909 O LEU A 117 6.250 8.105 -4.302 1.00 0.00 O ATOM 1910 CB LEU A 117 3.432 6.513 -3.527 1.00 0.00 C ATOM 1911 CG LEU A 117 3.479 7.725 -2.585 1.00 0.00 C ATOM 1912 CD1 LEU A 117 3.002 8.984 -3.317 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.576 7.463 -1.381 1.00 0.00 C ATOM 0 H LEU A 117 3.722 4.822 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 117 3.973 7.625 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.407 6.338 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.755 5.618 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 117 4.505 7.878 -2.252 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.040 9.836 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.648 9.174 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.978 8.839 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.607 8.321 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.553 7.305 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.924 6.576 -0.852 1.00 0.00 H new ATOM 1925 N ILE A 118 6.431 5.895 -3.916 1.00 0.00 N ATOM 1926 CA ILE A 118 7.816 5.972 -3.481 1.00 0.00 C ATOM 1927 C ILE A 118 8.670 5.020 -4.315 1.00 0.00 C ATOM 1928 O ILE A 118 8.415 3.810 -4.340 1.00 0.00 O ATOM 1929 CB ILE A 118 7.915 5.592 -1.986 1.00 0.00 C ATOM 1930 CG1 ILE A 118 7.048 6.544 -1.146 1.00 0.00 C ATOM 1931 CG2 ILE A 118 9.369 5.696 -1.513 1.00 0.00 C ATOM 1932 CD1 ILE A 118 7.001 6.054 0.306 1.00 0.00 C ATOM 0 H ILE A 118 6.036 4.955 -3.903 1.00 0.00 H new ATOM 0 HA ILE A 118 8.180 6.991 -3.615 1.00 0.00 H new ATOM 0 HB ILE A 118 7.563 4.568 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.456 7.554 -1.186 1.00 0.00 H new ATOM 0 HG13 ILE A 118 6.040 6.591 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 118 9.429 5.426 -0.459 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.991 5.017 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.723 6.718 -1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 118 6.386 6.731 0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 118 6.573 5.052 0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 118 8.011 6.030 0.715 1.00 0.00 H new ATOM 1944 N LYS A 119 9.726 5.544 -4.922 1.00 0.00 N ATOM 1945 CA LYS A 119 10.663 4.701 -5.657 1.00 0.00 C ATOM 1946 C LYS A 119 11.644 4.088 -4.674 1.00 0.00 C ATOM 1947 O LYS A 119 12.131 4.780 -3.775 1.00 0.00 O ATOM 1948 CB LYS A 119 11.428 5.512 -6.717 1.00 0.00 C ATOM 1949 CG LYS A 119 10.475 6.473 -7.447 1.00 0.00 C ATOM 1950 CD LYS A 119 9.337 5.685 -8.110 1.00 0.00 C ATOM 1951 CE LYS A 119 8.396 6.652 -8.840 1.00 0.00 C ATOM 1952 NZ LYS A 119 7.683 7.508 -7.851 1.00 0.00 N ATOM 0 H LYS A 119 9.955 6.538 -4.922 1.00 0.00 H new ATOM 0 HA LYS A 119 10.104 3.920 -6.172 1.00 0.00 H new ATOM 0 HB2 LYS A 119 12.231 6.076 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.894 4.837 -7.435 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.065 7.196 -6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.023 7.039 -8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 119 9.746 4.959 -8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.784 5.123 -7.357 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.965 7.275 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.675 6.092 -9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.686 7.218 -7.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 8.126 7.402 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 7.738 8.503 -8.149 1.00 0.00 H new ATOM 1966 N PRO A 120 11.901 2.814 -4.769 1.00 0.00 N ATOM 1967 CA PRO A 120 12.808 2.163 -3.790 1.00 0.00 C ATOM 1968 C PRO A 120 14.224 2.707 -3.856 1.00 0.00 C ATOM 1969 O PRO A 120 14.766 2.961 -4.939 1.00 0.00 O ATOM 1970 CB PRO A 120 12.745 0.675 -4.140 1.00 0.00 C ATOM 1971 CG PRO A 120 12.326 0.647 -5.568 1.00 0.00 C ATOM 1972 CD PRO A 120 11.397 1.845 -5.758 1.00 0.00 C ATOM 0 HA PRO A 120 12.499 2.357 -2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.713 0.193 -4.000 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.032 0.148 -3.506 1.00 0.00 H new ATOM 0 HG2 PRO A 120 13.190 0.714 -6.229 1.00 0.00 H new ATOM 0 HG3 PRO A 120 11.814 -0.285 -5.806 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.449 2.240 -6.773 1.00 0.00 H new ATOM 0 HD3 PRO A 120 10.356 1.582 -5.571 1.00 0.00 H new ATOM 1980 N LYS A 121 14.831 2.842 -2.693 1.00 0.00 N ATOM 1981 CA LYS A 121 16.187 3.343 -2.584 1.00 0.00 C ATOM 1982 C LYS A 121 17.181 2.272 -3.011 1.00 0.00 C ATOM 1983 O LYS A 121 18.038 1.840 -2.229 1.00 0.00 O ATOM 1984 CB LYS A 121 16.456 3.845 -1.149 1.00 0.00 C ATOM 1985 CG LYS A 121 15.950 2.823 -0.106 1.00 0.00 C ATOM 1986 CD LYS A 121 14.675 3.341 0.598 1.00 0.00 C ATOM 1987 CE LYS A 121 14.981 4.610 1.419 1.00 0.00 C ATOM 1988 NZ LYS A 121 13.889 4.854 2.405 1.00 0.00 N ATOM 0 H LYS A 121 14.399 2.608 -1.799 1.00 0.00 H new ATOM 0 HA LYS A 121 16.314 4.191 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.524 4.013 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.961 4.804 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.740 1.872 -0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.729 2.636 0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 121 13.907 3.559 -0.144 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.275 2.566 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.933 4.497 1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 121 15.081 5.468 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 13.779 5.877 2.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 12.998 4.459 2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 14.127 4.396 3.308 1.00 0.00 H new ATOM 2002 N LEU A 122 17.001 1.790 -4.233 1.00 0.00 N ATOM 2003 CA LEU A 122 17.809 0.702 -4.768 1.00 0.00 C ATOM 2004 C LEU A 122 19.272 1.111 -4.855 1.00 0.00 C ATOM 2005 O LEU A 122 20.167 0.340 -4.493 1.00 0.00 O ATOM 2006 CB LEU A 122 17.297 0.311 -6.161 1.00 0.00 C ATOM 2007 CG LEU A 122 15.893 -0.310 -6.050 1.00 0.00 C ATOM 2008 CD1 LEU A 122 15.309 -0.522 -7.449 1.00 0.00 C ATOM 2009 CD2 LEU A 122 15.971 -1.658 -5.323 1.00 0.00 C ATOM 0 H LEU A 122 16.294 2.140 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 122 17.727 -0.153 -4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 122 17.265 1.189 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 122 17.982 -0.399 -6.623 1.00 0.00 H new ATOM 0 HG LEU A 122 15.252 0.367 -5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 122 14.315 -0.962 -7.366 1.00 0.00 H new ATOM 0 HD12 LEU A 122 15.240 0.436 -7.963 1.00 0.00 H new ATOM 0 HD13 LEU A 122 15.956 -1.192 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.973 -2.090 -5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 122 16.619 -2.335 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 122 16.377 -1.509 -4.322 1.00 0.00 H new ATOM 2021 N HIS A 123 19.506 2.333 -5.302 1.00 0.00 N ATOM 2022 CA HIS A 123 20.858 2.877 -5.413 1.00 0.00 C ATOM 2023 C HIS A 123 20.810 4.384 -5.258 1.00 0.00 C ATOM 2024 O HIS A 123 19.890 5.027 -5.766 1.00 0.00 O ATOM 2025 CB HIS A 123 21.496 2.535 -6.784 1.00 0.00 C ATOM 2026 CG HIS A 123 20.729 1.440 -7.478 1.00 0.00 C ATOM 2027 ND1 HIS A 123 19.609 1.699 -8.255 1.00 0.00 N ATOM 2028 CD2 HIS A 123 20.911 0.080 -7.522 1.00 0.00 C ATOM 2029 CE1 HIS A 123 19.164 0.519 -8.730 1.00 0.00 C ATOM 2030 NE2 HIS A 123 19.923 -0.501 -8.312 1.00 0.00 N ATOM 0 H HIS A 123 18.772 2.977 -5.598 1.00 0.00 H new ATOM 0 HA HIS A 123 21.465 2.430 -4.626 1.00 0.00 H new ATOM 0 HB2 HIS A 123 21.515 3.425 -7.413 1.00 0.00 H new ATOM 0 HB3 HIS A 123 22.531 2.224 -6.640 1.00 0.00 H new ATOM 0 HD2 HIS A 123 21.701 -0.458 -7.020 1.00 0.00 H new ATOM 0 HE1 HIS A 123 18.301 0.410 -9.370 1.00 0.00 H new ATOM 0 HE2 HIS A 123 19.803 -1.491 -8.526 1.00 0.00 H new ATOM 2039 N PRO A 124 21.787 4.974 -4.629 1.00 0.00 N ATOM 2040 CA PRO A 124 21.828 6.454 -4.521 1.00 0.00 C ATOM 2041 C PRO A 124 22.275 7.051 -5.850 1.00 0.00 C ATOM 2042 O PRO A 124 23.445 6.917 -6.243 1.00 0.00 O ATOM 2043 CB PRO A 124 22.860 6.710 -3.422 1.00 0.00 C ATOM 2044 CG PRO A 124 23.769 5.525 -3.454 1.00 0.00 C ATOM 2045 CD PRO A 124 22.939 4.341 -3.960 1.00 0.00 C ATOM 0 HA PRO A 124 20.862 6.903 -4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 124 23.410 7.633 -3.606 1.00 0.00 H new ATOM 0 HB3 PRO A 124 22.381 6.813 -2.448 1.00 0.00 H new ATOM 0 HG2 PRO A 124 24.620 5.709 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 124 24.170 5.319 -2.462 1.00 0.00 H new ATOM 0 HD2 PRO A 124 23.509 3.719 -4.650 1.00 0.00 H new ATOM 0 HD3 PRO A 124 22.620 3.697 -3.140 1.00 0.00 H new ATOM 2053 N VAL A 125 21.325 7.623 -6.576 1.00 0.00 N ATOM 2054 CA VAL A 125 21.564 8.112 -7.931 1.00 0.00 C ATOM 2055 C VAL A 125 21.985 6.953 -8.839 1.00 0.00 C ATOM 2056 O VAL A 125 21.176 6.437 -9.613 1.00 0.00 O ATOM 2057 CB VAL A 125 22.625 9.226 -7.942 1.00 0.00 C ATOM 2058 CG1 VAL A 125 22.629 9.926 -9.305 1.00 0.00 C ATOM 2059 CG2 VAL A 125 22.306 10.256 -6.854 1.00 0.00 C ATOM 0 H VAL A 125 20.370 7.762 -6.246 1.00 0.00 H new ATOM 0 HA VAL A 125 20.636 8.538 -8.311 1.00 0.00 H new ATOM 0 HB VAL A 125 23.603 8.783 -7.754 1.00 0.00 H new ATOM 0 HG11 VAL A 125 23.382 10.714 -9.307 1.00 0.00 H new ATOM 0 HG12 VAL A 125 22.860 9.201 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 125 21.648 10.362 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 125 23.060 11.043 -6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 125 21.324 10.691 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 125 22.306 9.768 -5.879 1.00 0.00 H new ATOM 2069 N SER A 126 23.198 6.469 -8.648 1.00 0.00 N ATOM 2070 CA SER A 126 23.681 5.296 -9.369 1.00 0.00 C ATOM 2071 C SER A 126 24.391 4.342 -8.420 1.00 0.00 C ATOM 2072 O SER A 126 24.215 3.123 -8.502 1.00 0.00 O ATOM 2073 CB SER A 126 24.620 5.709 -10.502 1.00 0.00 C ATOM 2074 OG SER A 126 24.042 6.802 -11.229 1.00 0.00 O ATOM 0 H SER A 126 23.873 6.869 -7.997 1.00 0.00 H new ATOM 0 HA SER A 126 22.821 4.784 -9.801 1.00 0.00 H new ATOM 0 HB2 SER A 126 25.589 6.000 -10.097 1.00 0.00 H new ATOM 0 HB3 SER A 126 24.794 4.866 -11.170 1.00 0.00 H new ATOM 0 HG SER A 126 24.645 7.068 -11.954 1.00 0.00 H new ATOM 2080 N ASN A 127 25.157 4.911 -7.503 1.00 0.00 N ATOM 2081 CA ASN A 127 25.883 4.155 -6.487 1.00 0.00 C ATOM 2082 C ASN A 127 26.755 5.091 -5.668 1.00 0.00 C ATOM 2083 O ASN A 127 27.205 4.689 -4.624 1.00 0.00 O ATOM 2084 CB ASN A 127 26.747 3.037 -7.100 1.00 0.00 C ATOM 2085 CG ASN A 127 27.640 3.583 -8.205 1.00 0.00 C ATOM 2086 OD1 ASN A 127 28.548 4.375 -7.940 1.00 0.00 O ATOM 2087 ND2 ASN A 127 27.442 3.213 -9.434 1.00 0.00 N ATOM 2088 OXT ASN A 127 26.966 6.201 -6.105 1.00 0.00 O ATOM 0 H ASN A 127 25.296 5.920 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 127 25.143 3.681 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 127 27.361 2.580 -6.324 1.00 0.00 H new ATOM 0 HB3 ASN A 127 26.104 2.254 -7.501 1.00 0.00 H new ATOM 0 HD21 ASN A 127 28.037 3.577 -10.178 1.00 0.00 H new ATOM 0 HD22 ASN A 127 26.692 2.558 -9.655 1.00 0.00 H new TER 2095 ASN A 127