USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 THR OG1 : rot -131:sc= 0.575 USER MOD Set 1.2: B 130 GLN : amide:sc= 0.515 X(o=1.1,f=0.94) USER MOD Set 2.1: A 73 HIS : no HE2:sc= -0.0529 K(o=1.6,f=-1.2!) USER MOD Set 2.2: A 77 CYS SG : rot -129:sc= 0.22 USER MOD Set 2.3: A 82 CYS SG : rot 154:sc= 0.556 USER MOD Set 2.4: A 85 CYS SG : rot 108:sc= 0.915 USER MOD Set 3.1: A 66 SER OG : rot 79:sc= 0.787 USER MOD Set 3.2: B 123 CYS SG : rot 82:sc= 0.219 USER MOD Set 4.1: A 49 HIS : no HD1:sc= -0.949 X(o=2.7,f=2.8) USER MOD Set 4.2: A 53 CYS SG : rot -144:sc= 1.09 USER MOD Set 4.3: A 59 CYS SG : rot 134:sc= 0.349 USER MOD Set 4.4: A 64 CYS SG : rot -120:sc= 2.23 USER MOD Set 5.1: A 48 ASN : amide:sc= 0.49 K(o=0.84,f=-0.78) USER MOD Set 5.2: A 52 HIS : no HD1:sc= 0.346 K(o=0.84,f=-3.2!) USER MOD Set 6.1: A 18 HIS :FLIP no HD1:sc= -0.0971 F(o=0.41,f=3.7) USER MOD Set 6.2: A 22 CYS SG : rot -173:sc= 1.17 USER MOD Set 6.3: A 40 CYS SG : rot 96:sc= 0.93! USER MOD Set 6.4: A 44 LYS NZ :NH3+ 166:sc= 1.67 (180deg=-0.0201) USER MOD Set 7.1: A 12 GLN : amide:sc= 0.38 K(o=1.1,f=0.27) USER MOD Set 7.2: A 43 MET CE :methyl 179:sc= -0.0994 (180deg=-0.00425) USER MOD Set 7.3: A 63 HIS : no HE2:sc= 0.788 K(o=1.1,f=-4.9!) USER MOD Single : A 1 ALA N :NH3+ -112:sc= 0.077 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.17) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= 0.655 K(o=0.65,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 1.1 K(o=1.1,f=-3.5!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0312 USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 50 MET CE :methyl 174:sc= -2.07! (180deg=-2.15) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.782 USER MOD Single : A 54 GLN : amide:sc= 0.975 K(o=0.97,f=0) USER MOD Single : A 57 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.14) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -86:sc= 1.25 USER MOD Single : A 69 GLN : amide:sc= -0.572 K(o=-0.57,f=-1.3) USER MOD Single : A 72 SER OG : rot -160:sc= 0.604 USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 1.02 (180deg=0.438) USER MOD Single : A 76 ASN : amide:sc= 0.711 K(o=0.71,f=-0.35) USER MOD Single : A 80 HIS : no HE2:sc= 0.604 K(o=0.6,f=-2.2!) USER MOD Single : A 89 LYS NZ :NH3+ 179:sc= 0.481 (180deg=0.48) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.0666 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 ASN : amide:sc= 1.87 K(o=1.9,f=-4.2!) USER MOD Single : B 137 GLN : amide:sc= 0.736 K(o=0.74,f=0) USER MOD Single : B 147 GLN : amide:sc= 0.918 K(o=0.92,f=0) USER MOD Single : B 149 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.336 -11.780 16.155 1.00 0.00 N ATOM 2 CA ALA A 1 5.542 -10.567 15.837 1.00 0.00 C ATOM 3 C ALA A 1 5.569 -9.575 17.008 1.00 0.00 C ATOM 4 O ALA A 1 5.824 -9.965 18.150 1.00 0.00 O ATOM 5 CB ALA A 1 4.104 -10.937 15.429 1.00 0.00 C ATOM 0 H1 ALA A 1 7.181 -11.810 15.550 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.626 -11.753 17.153 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.758 -12.628 15.985 1.00 0.00 H new ATOM 0 HA ALA A 1 6.000 -10.072 14.981 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.545 -10.029 15.202 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.129 -11.578 14.548 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.618 -11.466 16.249 1.00 0.00 H new ATOM 13 N ASP A 2 5.324 -8.290 16.742 1.00 0.00 N ATOM 14 CA ASP A 2 5.342 -7.194 17.722 1.00 0.00 C ATOM 15 C ASP A 2 4.250 -6.143 17.407 1.00 0.00 C ATOM 16 O ASP A 2 4.055 -5.802 16.235 1.00 0.00 O ATOM 17 CB ASP A 2 6.746 -6.564 17.700 1.00 0.00 C ATOM 18 CG ASP A 2 6.924 -5.500 18.790 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.486 -4.349 18.572 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.490 -5.819 19.863 1.00 0.00 O ATOM 0 H ASP A 2 5.098 -7.968 15.801 1.00 0.00 H new ATOM 0 HA ASP A 2 5.123 -7.580 18.718 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.494 -7.345 17.832 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.925 -6.114 16.723 1.00 0.00 H new ATOM 25 N PRO A 3 3.523 -5.608 18.411 1.00 0.00 N ATOM 26 CA PRO A 3 2.463 -4.624 18.190 1.00 0.00 C ATOM 27 C PRO A 3 2.950 -3.340 17.504 1.00 0.00 C ATOM 28 O PRO A 3 2.270 -2.838 16.613 1.00 0.00 O ATOM 29 CB PRO A 3 1.830 -4.360 19.561 1.00 0.00 C ATOM 30 CG PRO A 3 2.925 -4.754 20.549 1.00 0.00 C ATOM 31 CD PRO A 3 3.633 -5.902 19.834 1.00 0.00 C ATOM 0 HA PRO A 3 1.727 -5.018 17.489 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.545 -3.314 19.676 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.928 -4.954 19.706 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.603 -3.925 20.752 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.511 -5.069 21.507 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.677 -5.970 20.140 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.168 -6.858 20.073 1.00 0.00 H new ATOM 39 N GLU A 4 4.122 -2.804 17.858 1.00 0.00 N ATOM 40 CA GLU A 4 4.666 -1.599 17.214 1.00 0.00 C ATOM 41 C GLU A 4 5.011 -1.853 15.740 1.00 0.00 C ATOM 42 O GLU A 4 4.705 -1.020 14.887 1.00 0.00 O ATOM 43 CB GLU A 4 5.858 -1.011 17.976 1.00 0.00 C ATOM 44 CG GLU A 4 5.524 -0.684 19.439 1.00 0.00 C ATOM 45 CD GLU A 4 6.683 0.070 20.118 1.00 0.00 C ATOM 46 OE1 GLU A 4 6.725 1.322 20.039 1.00 0.00 O ATOM 47 OE2 GLU A 4 7.556 -0.576 20.752 1.00 0.00 O ATOM 0 H GLU A 4 4.718 -3.187 18.592 1.00 0.00 H new ATOM 0 HA GLU A 4 3.876 -0.849 17.245 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.687 -1.718 17.946 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.194 -0.104 17.473 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.618 -0.079 19.482 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.318 -1.606 19.983 1.00 0.00 H new ATOM 54 N LYS A 5 5.578 -3.023 15.407 1.00 0.00 N ATOM 55 CA LYS A 5 5.813 -3.413 14.004 1.00 0.00 C ATOM 56 C LYS A 5 4.492 -3.444 13.231 1.00 0.00 C ATOM 57 O LYS A 5 4.457 -2.994 12.088 1.00 0.00 O ATOM 58 CB LYS A 5 6.559 -4.750 13.882 1.00 0.00 C ATOM 59 CG LYS A 5 8.025 -4.636 14.320 1.00 0.00 C ATOM 60 CD LYS A 5 8.759 -5.968 14.113 1.00 0.00 C ATOM 61 CE LYS A 5 10.240 -5.819 14.479 1.00 0.00 C ATOM 62 NZ LYS A 5 10.978 -7.094 14.289 1.00 0.00 N ATOM 0 H LYS A 5 5.883 -3.717 16.089 1.00 0.00 H new ATOM 0 HA LYS A 5 6.461 -2.657 13.561 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.057 -5.502 14.491 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.516 -5.096 12.849 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.520 -3.850 13.750 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.075 -4.347 15.370 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.301 -6.743 14.728 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.664 -6.287 13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.692 -5.041 13.864 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.329 -5.497 15.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.001 -6.912 14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.715 -7.763 15.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.735 -7.501 13.363 1.00 0.00 H new ATOM 76 N ARG A 6 3.391 -3.898 13.846 1.00 0.00 N ATOM 77 CA ARG A 6 2.051 -3.874 13.229 1.00 0.00 C ATOM 78 C ARG A 6 1.608 -2.434 12.949 1.00 0.00 C ATOM 79 O ARG A 6 1.161 -2.169 11.837 1.00 0.00 O ATOM 80 CB ARG A 6 1.030 -4.692 14.038 1.00 0.00 C ATOM 81 CG ARG A 6 1.257 -6.198 13.823 1.00 0.00 C ATOM 82 CD ARG A 6 0.257 -7.040 14.622 1.00 0.00 C ATOM 83 NE ARG A 6 0.320 -8.459 14.225 1.00 0.00 N ATOM 84 CZ ARG A 6 -0.142 -9.508 14.879 1.00 0.00 C ATOM 85 NH1 ARG A 6 -0.716 -9.413 16.045 1.00 0.00 N ATOM 86 NH2 ARG A 6 -0.032 -10.691 14.350 1.00 0.00 N ATOM 0 H ARG A 6 3.401 -4.293 14.786 1.00 0.00 H new ATOM 0 HA ARG A 6 2.108 -4.372 12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.120 -4.452 15.097 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.018 -4.424 13.735 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.165 -6.432 12.762 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.273 -6.459 14.120 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.469 -6.948 15.687 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.752 -6.659 14.463 1.00 0.00 H new ATOM 0 HE ARG A 6 0.777 -8.654 13.334 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.823 -8.500 16.488 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.059 -10.251 16.515 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.409 -10.802 13.437 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.386 -11.507 14.848 1.00 0.00 H new ATOM 100 N LYS A 7 1.791 -1.490 13.884 1.00 0.00 N ATOM 101 CA LYS A 7 1.513 -0.045 13.676 1.00 0.00 C ATOM 102 C LYS A 7 2.267 0.488 12.447 1.00 0.00 C ATOM 103 O LYS A 7 1.670 1.111 11.572 1.00 0.00 O ATOM 104 CB LYS A 7 1.869 0.796 14.915 1.00 0.00 C ATOM 105 CG LYS A 7 1.098 0.401 16.180 1.00 0.00 C ATOM 106 CD LYS A 7 1.624 1.169 17.395 1.00 0.00 C ATOM 107 CE LYS A 7 0.833 0.786 18.651 1.00 0.00 C ATOM 108 NZ LYS A 7 1.306 1.536 19.845 1.00 0.00 N ATOM 0 H LYS A 7 2.140 -1.702 14.819 1.00 0.00 H new ATOM 0 HA LYS A 7 0.441 0.048 13.504 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.937 0.703 15.109 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.675 1.846 14.697 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.036 0.608 16.044 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.195 -0.671 16.351 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.682 0.950 17.542 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.542 2.242 17.219 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.226 0.987 18.490 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.930 -0.285 18.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.749 1.252 20.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.310 1.324 20.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.190 2.557 19.682 1.00 0.00 H new ATOM 122 N LEU A 8 3.573 0.218 12.367 1.00 0.00 N ATOM 123 CA LEU A 8 4.450 0.581 11.245 1.00 0.00 C ATOM 124 C LEU A 8 3.950 -0.026 9.918 1.00 0.00 C ATOM 125 O LEU A 8 3.872 0.679 8.912 1.00 0.00 O ATOM 126 CB LEU A 8 5.892 0.152 11.573 1.00 0.00 C ATOM 127 CG LEU A 8 6.545 0.928 12.735 1.00 0.00 C ATOM 128 CD1 LEU A 8 7.913 0.319 13.044 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.716 2.415 12.417 1.00 0.00 C ATOM 0 H LEU A 8 4.069 -0.278 13.108 1.00 0.00 H new ATOM 0 HA LEU A 8 4.432 1.662 11.108 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.894 -0.910 11.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.506 0.276 10.681 1.00 0.00 H new ATOM 0 HG LEU A 8 5.883 0.848 13.597 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.377 0.865 13.865 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.790 -0.726 13.327 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.548 0.383 12.160 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.180 2.918 13.266 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.350 2.528 11.538 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.740 2.860 12.221 1.00 0.00 H new ATOM 141 N ILE A 9 3.582 -1.312 9.911 1.00 0.00 N ATOM 142 CA ILE A 9 3.000 -2.012 8.753 1.00 0.00 C ATOM 143 C ILE A 9 1.704 -1.310 8.321 1.00 0.00 C ATOM 144 O ILE A 9 1.585 -0.957 7.150 1.00 0.00 O ATOM 145 CB ILE A 9 2.820 -3.522 9.043 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.206 -4.203 9.096 1.00 0.00 C ATOM 147 CG2 ILE A 9 1.954 -4.217 7.975 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.201 -5.556 9.812 1.00 0.00 C ATOM 0 H ILE A 9 3.682 -1.913 10.729 1.00 0.00 H new ATOM 0 HA ILE A 9 3.688 -1.959 7.910 1.00 0.00 H new ATOM 0 HB ILE A 9 2.309 -3.617 10.001 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.572 -4.342 8.079 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.908 -3.538 9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.855 -5.275 8.219 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.967 -3.756 7.951 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.427 -4.113 6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.208 -5.973 9.809 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.867 -5.422 10.841 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.525 -6.238 9.297 1.00 0.00 H new ATOM 160 N GLN A 10 0.757 -1.056 9.236 1.00 0.00 N ATOM 161 CA GLN A 10 -0.488 -0.315 8.966 1.00 0.00 C ATOM 162 C GLN A 10 -0.195 1.037 8.300 1.00 0.00 C ATOM 163 O GLN A 10 -0.789 1.359 7.272 1.00 0.00 O ATOM 164 CB GLN A 10 -1.309 -0.089 10.248 1.00 0.00 C ATOM 165 CG GLN A 10 -1.962 -1.369 10.772 1.00 0.00 C ATOM 166 CD GLN A 10 -2.938 -1.089 11.914 1.00 0.00 C ATOM 167 OE1 GLN A 10 -2.620 -1.215 13.090 1.00 0.00 O ATOM 168 NE2 GLN A 10 -4.159 -0.697 11.611 1.00 0.00 N ATOM 0 H GLN A 10 0.835 -1.365 10.205 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.076 -0.929 8.284 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.660 0.324 11.020 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.083 0.653 10.051 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.490 -1.866 9.958 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.189 -2.055 11.116 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -4.432 -0.589 10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.831 -0.501 12.353 1.00 0.00 H new ATOM 177 N GLN A 11 0.734 1.811 8.866 1.00 0.00 N ATOM 178 CA GLN A 11 1.180 3.100 8.337 1.00 0.00 C ATOM 179 C GLN A 11 1.657 2.961 6.879 1.00 0.00 C ATOM 180 O GLN A 11 1.152 3.659 6.002 1.00 0.00 O ATOM 181 CB GLN A 11 2.265 3.673 9.261 1.00 0.00 C ATOM 182 CG GLN A 11 2.529 5.155 8.991 1.00 0.00 C ATOM 183 CD GLN A 11 3.825 5.599 9.662 1.00 0.00 C ATOM 184 OE1 GLN A 11 3.933 5.702 10.875 1.00 0.00 O ATOM 185 NE2 GLN A 11 4.854 5.855 8.887 1.00 0.00 N ATOM 0 H GLN A 11 1.210 1.550 9.730 1.00 0.00 H new ATOM 0 HA GLN A 11 0.346 3.802 8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.961 3.543 10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 11 3.189 3.111 9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.591 5.329 7.917 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.697 5.752 9.364 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.764 5.769 7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.743 6.140 9.298 1.00 0.00 H new ATOM 194 N GLN A 12 2.593 2.045 6.597 1.00 0.00 N ATOM 195 CA GLN A 12 3.079 1.750 5.240 1.00 0.00 C ATOM 196 C GLN A 12 1.932 1.340 4.299 1.00 0.00 C ATOM 197 O GLN A 12 1.877 1.826 3.172 1.00 0.00 O ATOM 198 CB GLN A 12 4.173 0.667 5.279 1.00 0.00 C ATOM 199 CG GLN A 12 5.533 1.179 5.785 1.00 0.00 C ATOM 200 CD GLN A 12 6.288 1.991 4.735 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.155 1.497 4.023 1.00 0.00 O ATOM 202 NE2 GLN A 12 6.021 3.272 4.616 1.00 0.00 N ATOM 0 H GLN A 12 3.042 1.478 7.316 1.00 0.00 H new ATOM 0 HA GLN A 12 3.514 2.666 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.841 -0.149 5.920 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.300 0.255 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.377 1.795 6.671 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.145 0.330 6.090 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.303 3.700 5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.532 3.839 3.939 1.00 0.00 H new ATOM 211 N LEU A 13 1.012 0.478 4.750 1.00 0.00 N ATOM 212 CA LEU A 13 -0.167 0.014 4.014 1.00 0.00 C ATOM 213 C LEU A 13 -0.997 1.232 3.567 1.00 0.00 C ATOM 214 O LEU A 13 -1.227 1.422 2.373 1.00 0.00 O ATOM 215 CB LEU A 13 -0.921 -1.027 4.880 1.00 0.00 C ATOM 216 CG LEU A 13 -1.659 -2.098 4.057 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.868 -3.379 4.868 1.00 0.00 C ATOM 218 CD2 LEU A 13 -3.023 -1.645 3.557 1.00 0.00 C ATOM 0 H LEU A 13 1.074 0.067 5.681 1.00 0.00 H new ATOM 0 HA LEU A 13 0.097 -0.507 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.209 -1.518 5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.641 -0.507 5.512 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.013 -2.281 3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.392 -4.115 4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.901 -3.781 5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.461 -3.155 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.486 -2.449 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.657 -1.393 4.407 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.904 -0.768 2.920 1.00 0.00 H new ATOM 230 N VAL A 14 -1.380 2.097 4.512 1.00 0.00 N ATOM 231 CA VAL A 14 -2.094 3.360 4.266 1.00 0.00 C ATOM 232 C VAL A 14 -1.342 4.256 3.279 1.00 0.00 C ATOM 233 O VAL A 14 -1.923 4.650 2.266 1.00 0.00 O ATOM 234 CB VAL A 14 -2.378 4.099 5.589 1.00 0.00 C ATOM 235 CG1 VAL A 14 -2.833 5.551 5.390 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.483 3.365 6.352 1.00 0.00 C ATOM 0 H VAL A 14 -1.197 1.934 5.502 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.051 3.111 3.807 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.438 4.113 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.015 6.011 6.361 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.056 6.107 4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.751 5.567 4.803 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.686 3.885 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.389 3.341 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.162 2.345 6.566 1.00 0.00 H new ATOM 246 N LEU A 15 -0.075 4.595 3.549 1.00 0.00 N ATOM 247 CA LEU A 15 0.720 5.465 2.676 1.00 0.00 C ATOM 248 C LEU A 15 0.860 4.914 1.248 1.00 0.00 C ATOM 249 O LEU A 15 0.758 5.684 0.295 1.00 0.00 O ATOM 250 CB LEU A 15 2.104 5.775 3.270 1.00 0.00 C ATOM 251 CG LEU A 15 2.162 6.588 4.572 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.625 6.964 4.823 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.345 7.874 4.491 1.00 0.00 C ATOM 0 H LEU A 15 0.426 4.274 4.377 1.00 0.00 H new ATOM 0 HA LEU A 15 0.161 6.399 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.613 4.827 3.445 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.679 6.311 2.515 1.00 0.00 H new ATOM 0 HG LEU A 15 1.746 5.979 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.699 7.544 5.743 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.223 6.057 4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.996 7.559 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.419 8.412 5.436 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.730 8.500 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.301 7.630 4.293 1.00 0.00 H new ATOM 265 N LEU A 16 1.091 3.609 1.073 1.00 0.00 N ATOM 266 CA LEU A 16 1.205 2.983 -0.247 1.00 0.00 C ATOM 267 C LEU A 16 -0.106 3.095 -1.045 1.00 0.00 C ATOM 268 O LEU A 16 -0.089 3.538 -2.194 1.00 0.00 O ATOM 269 CB LEU A 16 1.673 1.529 -0.105 1.00 0.00 C ATOM 270 CG LEU A 16 1.958 0.874 -1.470 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.084 1.586 -2.214 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.394 -0.568 -1.258 1.00 0.00 C ATOM 0 H LEU A 16 1.205 2.955 1.847 1.00 0.00 H new ATOM 0 HA LEU A 16 1.959 3.523 -0.820 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.575 1.497 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.911 0.953 0.420 1.00 0.00 H new ATOM 0 HG LEU A 16 1.042 0.935 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.255 1.094 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.807 2.626 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.996 1.547 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.596 -1.033 -2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.298 -0.589 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.601 -1.117 -0.750 1.00 0.00 H new ATOM 284 N LEU A 17 -1.241 2.732 -0.434 1.00 0.00 N ATOM 285 CA LEU A 17 -2.570 2.907 -1.034 1.00 0.00 C ATOM 286 C LEU A 17 -2.797 4.381 -1.408 1.00 0.00 C ATOM 287 O LEU A 17 -3.187 4.683 -2.540 1.00 0.00 O ATOM 288 CB LEU A 17 -3.672 2.392 -0.089 1.00 0.00 C ATOM 289 CG LEU A 17 -4.062 0.914 -0.279 1.00 0.00 C ATOM 290 CD1 LEU A 17 -2.950 -0.113 -0.081 1.00 0.00 C ATOM 291 CD2 LEU A 17 -5.166 0.592 0.722 1.00 0.00 C ATOM 0 H LEU A 17 -1.264 2.307 0.493 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.619 2.314 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.342 2.534 0.940 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.562 3.006 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.358 0.827 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.347 -1.115 -0.242 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.148 0.078 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.560 -0.036 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.464 -0.451 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.799 0.759 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.025 1.237 0.536 1.00 0.00 H new ATOM 303 N HIS A 18 -2.523 5.295 -0.468 1.00 0.00 N ATOM 304 CA HIS A 18 -2.612 6.738 -0.669 1.00 0.00 C ATOM 305 C HIS A 18 -1.779 7.180 -1.880 1.00 0.00 C ATOM 306 O HIS A 18 -2.328 7.846 -2.741 1.00 0.00 O ATOM 307 CB HIS A 18 -2.232 7.511 0.606 1.00 0.00 C ATOM 308 CG HIS A 18 -2.320 9.011 0.431 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.418 9.794 -0.241 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.349 9.830 0.844 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.907 11.106 -0.260 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -3.070 11.078 0.417 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.227 5.040 0.474 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.652 6.980 -0.886 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.890 7.206 1.420 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.217 7.243 0.899 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.220 9.527 1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.445 11.965 -0.723 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.661 11.892 0.585 1.00 0.00 H new ATOM 320 N ALA A 19 -0.494 6.823 -1.988 1.00 0.00 N ATOM 321 CA ALA A 19 0.399 7.203 -3.092 1.00 0.00 C ATOM 322 C ALA A 19 -0.234 7.054 -4.491 1.00 0.00 C ATOM 323 O ALA A 19 -0.214 7.995 -5.288 1.00 0.00 O ATOM 324 CB ALA A 19 1.712 6.425 -2.964 1.00 0.00 C ATOM 0 H ALA A 19 -0.031 6.243 -1.288 1.00 0.00 H new ATOM 0 HA ALA A 19 0.598 8.271 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.380 6.702 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.185 6.663 -2.011 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.507 5.355 -3.010 1.00 0.00 H new ATOM 330 N HIS A 20 -0.828 5.893 -4.797 1.00 0.00 N ATOM 331 CA HIS A 20 -1.531 5.658 -6.070 1.00 0.00 C ATOM 332 C HIS A 20 -2.777 6.555 -6.207 1.00 0.00 C ATOM 333 O HIS A 20 -2.946 7.217 -7.233 1.00 0.00 O ATOM 334 CB HIS A 20 -1.840 4.164 -6.222 1.00 0.00 C ATOM 335 CG HIS A 20 -2.652 3.852 -7.457 1.00 0.00 C ATOM 336 ND1 HIS A 20 -2.146 3.664 -8.731 1.00 0.00 N ATOM 337 CD2 HIS A 20 -4.017 3.778 -7.523 1.00 0.00 C ATOM 338 CE1 HIS A 20 -3.193 3.477 -9.561 1.00 0.00 C ATOM 339 NE2 HIS A 20 -4.340 3.549 -8.851 1.00 0.00 N ATOM 0 H HIS A 20 -0.836 5.088 -4.170 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.880 5.943 -6.896 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.904 3.607 -6.259 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.381 3.819 -5.341 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.709 3.879 -6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.125 3.298 -10.624 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -5.283 3.451 -9.228 1.00 0.00 H new ATOM 348 N LYS A 21 -3.631 6.619 -5.173 1.00 0.00 N ATOM 349 CA LYS A 21 -4.820 7.499 -5.113 1.00 0.00 C ATOM 350 C LYS A 21 -4.430 8.969 -5.365 1.00 0.00 C ATOM 351 O LYS A 21 -5.066 9.662 -6.155 1.00 0.00 O ATOM 352 CB LYS A 21 -5.523 7.317 -3.753 1.00 0.00 C ATOM 353 CG LYS A 21 -6.887 8.026 -3.699 1.00 0.00 C ATOM 354 CD LYS A 21 -7.458 8.123 -2.276 1.00 0.00 C ATOM 355 CE LYS A 21 -7.772 6.755 -1.658 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.376 6.909 -0.305 1.00 0.00 N ATOM 0 H LYS A 21 -3.516 6.050 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.518 7.219 -5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.661 6.254 -3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.883 7.706 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.785 9.029 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.594 7.490 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.745 8.647 -1.640 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.368 8.723 -2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.456 6.207 -2.306 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.858 6.165 -1.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.580 5.970 0.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.711 7.412 0.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.259 7.453 -0.379 1.00 0.00 H new ATOM 370 N CYS A 22 -3.369 9.424 -4.711 1.00 0.00 N ATOM 371 CA CYS A 22 -2.756 10.740 -4.796 1.00 0.00 C ATOM 372 C CYS A 22 -2.265 11.041 -6.224 1.00 0.00 C ATOM 373 O CYS A 22 -2.510 12.128 -6.743 1.00 0.00 O ATOM 374 CB CYS A 22 -1.658 10.806 -3.738 1.00 0.00 C ATOM 375 SG CYS A 22 -1.157 12.521 -3.487 1.00 0.00 S ATOM 0 H CYS A 22 -2.873 8.827 -4.049 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.483 11.525 -4.589 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.017 10.381 -2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.802 10.209 -4.051 1.00 0.00 H new ATOM 0 HG CYS A 22 -0.122 12.560 -2.702 1.00 0.00 H new ATOM 627 N HIS A 39 6.535 12.214 2.719 1.00 0.00 N ATOM 628 CA HIS A 39 6.583 10.750 2.597 1.00 0.00 C ATOM 629 C HIS A 39 5.673 10.170 1.504 1.00 0.00 C ATOM 630 O HIS A 39 5.934 9.062 1.038 1.00 0.00 O ATOM 631 CB HIS A 39 6.316 10.129 3.976 1.00 0.00 C ATOM 632 CG HIS A 39 7.328 10.564 5.016 1.00 0.00 C ATOM 633 ND1 HIS A 39 8.682 10.770 4.800 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.056 10.873 6.320 1.00 0.00 C ATOM 635 CE1 HIS A 39 9.221 11.199 5.959 1.00 0.00 C ATOM 636 NE2 HIS A 39 8.251 11.271 6.896 1.00 0.00 N ATOM 0 HA HIS A 39 7.584 10.482 2.260 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.316 10.408 4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.332 9.042 3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.094 10.817 6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.261 11.445 6.113 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.377 11.568 7.864 1.00 0.00 H new ATOM 645 N CYS A 40 4.655 10.909 1.056 1.00 0.00 N ATOM 646 CA CYS A 40 3.797 10.520 -0.064 1.00 0.00 C ATOM 647 C CYS A 40 4.654 10.401 -1.342 1.00 0.00 C ATOM 648 O CYS A 40 4.648 9.366 -2.012 1.00 0.00 O ATOM 649 CB CYS A 40 2.651 11.533 -0.175 1.00 0.00 C ATOM 650 SG CYS A 40 1.474 11.040 -1.457 1.00 0.00 S ATOM 0 H CYS A 40 4.401 11.807 1.468 1.00 0.00 H new ATOM 0 HA CYS A 40 3.343 9.541 0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.138 11.614 0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.054 12.519 -0.405 1.00 0.00 H new ATOM 0 HG CYS A 40 0.482 10.401 -0.912 1.00 0.00 H new ATOM 655 N ARG A 41 5.483 11.420 -1.627 1.00 0.00 N ATOM 656 CA ARG A 41 6.470 11.426 -2.725 1.00 0.00 C ATOM 657 C ARG A 41 7.405 10.215 -2.604 1.00 0.00 C ATOM 658 O ARG A 41 7.617 9.507 -3.586 1.00 0.00 O ATOM 659 CB ARG A 41 7.209 12.779 -2.756 1.00 0.00 C ATOM 660 CG ARG A 41 7.800 13.152 -4.129 1.00 0.00 C ATOM 661 CD ARG A 41 9.069 12.391 -4.549 1.00 0.00 C ATOM 662 NE ARG A 41 10.180 12.559 -3.587 1.00 0.00 N ATOM 663 CZ ARG A 41 11.047 13.555 -3.514 1.00 0.00 C ATOM 664 NH1 ARG A 41 11.018 14.569 -4.333 1.00 0.00 N ATOM 665 NH2 ARG A 41 11.978 13.552 -2.604 1.00 0.00 N ATOM 0 H ARG A 41 5.487 12.285 -1.087 1.00 0.00 H new ATOM 0 HA ARG A 41 5.967 11.325 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.518 13.563 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.014 12.756 -2.022 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.035 12.988 -4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.024 14.219 -4.128 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.836 11.331 -4.647 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.388 12.740 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 41 10.291 11.817 -2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.308 14.614 -5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.705 15.317 -4.243 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.042 12.779 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.644 14.323 -2.553 1.00 0.00 H new ATOM 679 N THR A 42 7.921 9.936 -1.402 1.00 0.00 N ATOM 680 CA THR A 42 8.747 8.746 -1.110 1.00 0.00 C ATOM 681 C THR A 42 8.009 7.465 -1.523 1.00 0.00 C ATOM 682 O THR A 42 8.553 6.658 -2.277 1.00 0.00 O ATOM 683 CB THR A 42 9.166 8.670 0.370 1.00 0.00 C ATOM 684 OG1 THR A 42 9.587 9.933 0.847 1.00 0.00 O ATOM 685 CG2 THR A 42 10.325 7.696 0.584 1.00 0.00 C ATOM 0 H THR A 42 7.778 10.535 -0.589 1.00 0.00 H new ATOM 0 HA THR A 42 9.660 8.839 -1.698 1.00 0.00 H new ATOM 0 HB THR A 42 8.286 8.327 0.913 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.846 9.857 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.590 7.672 1.641 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.026 6.698 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.187 8.022 0.002 1.00 0.00 H new ATOM 693 N MET A 43 6.755 7.282 -1.088 1.00 0.00 N ATOM 694 CA MET A 43 5.925 6.141 -1.492 1.00 0.00 C ATOM 695 C MET A 43 5.689 6.100 -3.012 1.00 0.00 C ATOM 696 O MET A 43 5.726 5.015 -3.581 1.00 0.00 O ATOM 697 CB MET A 43 4.598 6.076 -0.734 1.00 0.00 C ATOM 698 CG MET A 43 4.728 5.628 0.724 1.00 0.00 C ATOM 699 SD MET A 43 5.601 4.067 1.049 1.00 0.00 S ATOM 700 CE MET A 43 7.207 4.711 1.589 1.00 0.00 C ATOM 0 H MET A 43 6.288 7.922 -0.446 1.00 0.00 H new ATOM 0 HA MET A 43 6.496 5.253 -1.220 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.130 7.060 -0.759 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.929 5.391 -1.254 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.237 6.419 1.275 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.724 5.545 1.141 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.864 3.880 1.847 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.656 5.292 0.783 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.068 5.349 2.462 1.00 0.00 H new ATOM 710 N LYS A 44 5.475 7.232 -3.698 1.00 0.00 N ATOM 711 CA LYS A 44 5.337 7.292 -5.170 1.00 0.00 C ATOM 712 C LYS A 44 6.619 6.811 -5.875 1.00 0.00 C ATOM 713 O LYS A 44 6.534 6.050 -6.839 1.00 0.00 O ATOM 714 CB LYS A 44 4.914 8.691 -5.649 1.00 0.00 C ATOM 715 CG LYS A 44 3.445 9.016 -5.320 1.00 0.00 C ATOM 716 CD LYS A 44 3.042 10.353 -5.965 1.00 0.00 C ATOM 717 CE LYS A 44 1.615 10.793 -5.609 1.00 0.00 C ATOM 718 NZ LYS A 44 1.541 11.547 -4.339 1.00 0.00 N ATOM 0 H LYS A 44 5.391 8.143 -3.247 1.00 0.00 H new ATOM 0 HA LYS A 44 4.536 6.607 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.559 9.439 -5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.065 8.762 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.798 8.218 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.309 9.069 -4.240 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.743 11.126 -5.650 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.129 10.267 -7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.220 11.411 -6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.976 9.913 -5.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.616 12.017 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.660 10.893 -3.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.295 12.263 -4.316 1.00 0.00 H new ATOM 732 N ASN A 45 7.803 7.200 -5.390 1.00 0.00 N ATOM 733 CA ASN A 45 9.094 6.715 -5.907 1.00 0.00 C ATOM 734 C ASN A 45 9.184 5.184 -5.743 1.00 0.00 C ATOM 735 O ASN A 45 9.517 4.468 -6.690 1.00 0.00 O ATOM 736 CB ASN A 45 10.270 7.421 -5.203 1.00 0.00 C ATOM 737 CG ASN A 45 10.442 8.889 -5.562 1.00 0.00 C ATOM 738 OD1 ASN A 45 9.888 9.414 -6.520 1.00 0.00 O ATOM 739 ND2 ASN A 45 11.257 9.598 -4.813 1.00 0.00 N ATOM 0 H ASN A 45 7.897 7.865 -4.622 1.00 0.00 H new ATOM 0 HA ASN A 45 9.158 6.954 -6.969 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.131 7.339 -4.125 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.191 6.892 -5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.425 10.580 -5.031 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.721 9.166 -4.014 1.00 0.00 H new ATOM 746 N VAL A 46 8.846 4.682 -4.550 1.00 0.00 N ATOM 747 CA VAL A 46 8.768 3.249 -4.216 1.00 0.00 C ATOM 748 C VAL A 46 7.789 2.534 -5.166 1.00 0.00 C ATOM 749 O VAL A 46 8.152 1.518 -5.754 1.00 0.00 O ATOM 750 CB VAL A 46 8.428 3.076 -2.718 1.00 0.00 C ATOM 751 CG1 VAL A 46 7.991 1.663 -2.332 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.640 3.442 -1.850 1.00 0.00 C ATOM 0 H VAL A 46 8.610 5.282 -3.759 1.00 0.00 H new ATOM 0 HA VAL A 46 9.736 2.771 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 46 7.585 3.745 -2.542 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.772 1.629 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.098 1.392 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.792 0.959 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.385 3.315 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.478 2.791 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.919 4.480 -2.033 1.00 0.00 H new ATOM 762 N LEU A 47 6.580 3.072 -5.370 1.00 0.00 N ATOM 763 CA LEU A 47 5.531 2.582 -6.278 1.00 0.00 C ATOM 764 C LEU A 47 6.064 2.377 -7.704 1.00 0.00 C ATOM 765 O LEU A 47 5.920 1.296 -8.275 1.00 0.00 O ATOM 766 CB LEU A 47 4.312 3.526 -6.187 1.00 0.00 C ATOM 767 CG LEU A 47 3.020 3.099 -6.906 1.00 0.00 C ATOM 768 CD1 LEU A 47 2.979 3.413 -8.398 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.728 1.618 -6.725 1.00 0.00 C ATOM 0 H LEU A 47 6.288 3.915 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 47 5.200 1.590 -5.969 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.077 3.669 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.610 4.497 -6.582 1.00 0.00 H new ATOM 0 HG LEU A 47 2.254 3.705 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.030 3.075 -8.815 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.078 4.488 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.799 2.901 -8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.807 1.362 -7.249 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.552 1.032 -7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.615 1.397 -5.664 1.00 0.00 H new ATOM 781 N ASN A 48 6.719 3.397 -8.260 1.00 0.00 N ATOM 782 CA ASN A 48 7.383 3.338 -9.565 1.00 0.00 C ATOM 783 C ASN A 48 8.402 2.182 -9.605 1.00 0.00 C ATOM 784 O ASN A 48 8.343 1.325 -10.488 1.00 0.00 O ATOM 785 CB ASN A 48 8.050 4.691 -9.860 1.00 0.00 C ATOM 786 CG ASN A 48 8.898 4.647 -11.124 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.412 4.457 -12.231 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.198 4.789 -11.003 1.00 0.00 N ATOM 0 H ASN A 48 6.805 4.307 -7.807 1.00 0.00 H new ATOM 0 HA ASN A 48 6.643 3.141 -10.341 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.283 5.458 -9.965 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.675 4.979 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.795 4.741 -11.828 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.610 4.948 -10.084 1.00 0.00 H new ATOM 795 N HIS A 49 9.329 2.150 -8.643 1.00 0.00 N ATOM 796 CA HIS A 49 10.342 1.101 -8.513 1.00 0.00 C ATOM 797 C HIS A 49 9.712 -0.309 -8.493 1.00 0.00 C ATOM 798 O HIS A 49 10.123 -1.163 -9.279 1.00 0.00 O ATOM 799 CB HIS A 49 11.226 1.381 -7.287 1.00 0.00 C ATOM 800 CG HIS A 49 12.176 0.245 -6.992 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.365 -0.005 -7.645 1.00 0.00 N ATOM 802 CD2 HIS A 49 11.903 -0.839 -6.197 1.00 0.00 C ATOM 803 CE1 HIS A 49 13.780 -1.232 -7.278 1.00 0.00 C ATOM 804 NE2 HIS A 49 12.929 -1.772 -6.391 1.00 0.00 N ATOM 0 H HIS A 49 9.397 2.866 -7.920 1.00 0.00 H new ATOM 0 HA HIS A 49 10.983 1.118 -9.394 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.797 2.294 -7.455 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.592 1.556 -6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.052 -0.952 -5.541 1.00 0.00 H new ATOM 0 HE1 HIS A 49 14.673 -1.715 -7.646 1.00 0.00 H new ATOM 0 HE2 HIS A 49 13.014 -2.685 -5.945 1.00 0.00 H new ATOM 812 N MET A 50 8.707 -0.549 -7.640 1.00 0.00 N ATOM 813 CA MET A 50 7.985 -1.823 -7.494 1.00 0.00 C ATOM 814 C MET A 50 7.510 -2.428 -8.824 1.00 0.00 C ATOM 815 O MET A 50 7.616 -3.641 -9.013 1.00 0.00 O ATOM 816 CB MET A 50 6.753 -1.655 -6.599 1.00 0.00 C ATOM 817 CG MET A 50 6.996 -1.446 -5.106 1.00 0.00 C ATOM 818 SD MET A 50 5.744 -0.398 -4.308 1.00 0.00 S ATOM 819 CE MET A 50 4.218 -1.178 -4.869 1.00 0.00 C ATOM 0 H MET A 50 8.359 0.169 -7.005 1.00 0.00 H new ATOM 0 HA MET A 50 8.712 -2.502 -7.049 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.180 -0.805 -6.970 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.126 -2.539 -6.718 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.016 -2.416 -4.610 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.979 -0.996 -4.965 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.367 -0.710 -4.375 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.123 -1.057 -5.948 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.241 -2.240 -4.624 1.00 0.00 H new ATOM 829 N THR A 51 6.954 -1.621 -9.736 1.00 0.00 N ATOM 830 CA THR A 51 6.486 -2.093 -11.054 1.00 0.00 C ATOM 831 C THR A 51 7.634 -2.578 -11.949 1.00 0.00 C ATOM 832 O THR A 51 7.472 -3.579 -12.650 1.00 0.00 O ATOM 833 CB THR A 51 5.632 -1.051 -11.808 1.00 0.00 C ATOM 834 OG1 THR A 51 5.885 0.287 -11.432 1.00 0.00 O ATOM 835 CG2 THR A 51 4.147 -1.295 -11.547 1.00 0.00 C ATOM 0 H THR A 51 6.814 -0.622 -9.585 1.00 0.00 H new ATOM 0 HA THR A 51 5.843 -2.944 -10.830 1.00 0.00 H new ATOM 0 HB THR A 51 5.904 -1.178 -12.856 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.843 0.404 -11.264 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.556 -0.553 -12.085 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.876 -2.293 -11.891 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.947 -1.213 -10.479 1.00 0.00 H new ATOM 843 N HIS A 52 8.788 -1.897 -11.937 1.00 0.00 N ATOM 844 CA HIS A 52 9.983 -2.262 -12.719 1.00 0.00 C ATOM 845 C HIS A 52 10.718 -3.473 -12.118 1.00 0.00 C ATOM 846 O HIS A 52 10.966 -4.454 -12.823 1.00 0.00 O ATOM 847 CB HIS A 52 10.920 -1.049 -12.862 1.00 0.00 C ATOM 848 CG HIS A 52 10.252 0.156 -13.482 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.620 0.202 -14.714 1.00 0.00 N ATOM 850 CD2 HIS A 52 10.101 1.374 -12.884 1.00 0.00 C ATOM 851 CE1 HIS A 52 9.072 1.429 -14.844 1.00 0.00 C ATOM 852 NE2 HIS A 52 9.347 2.156 -13.741 1.00 0.00 N ATOM 0 H HIS A 52 8.922 -1.058 -11.372 1.00 0.00 H new ATOM 0 HA HIS A 52 9.652 -2.561 -13.714 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.303 -0.777 -11.878 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.779 -1.332 -13.471 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.496 1.671 -11.924 1.00 0.00 H new ATOM 0 HE1 HIS A 52 8.504 1.774 -15.695 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.050 3.117 -13.569 1.00 0.00 H new ATOM 861 N CYS A 53 11.060 -3.407 -10.830 1.00 0.00 N ATOM 862 CA CYS A 53 11.722 -4.460 -10.060 1.00 0.00 C ATOM 863 C CYS A 53 10.816 -5.707 -9.944 1.00 0.00 C ATOM 864 O CYS A 53 9.589 -5.595 -9.851 1.00 0.00 O ATOM 865 CB CYS A 53 12.093 -3.860 -8.698 1.00 0.00 C ATOM 866 SG CYS A 53 12.822 -5.081 -7.553 1.00 0.00 S ATOM 0 H CYS A 53 10.873 -2.576 -10.268 1.00 0.00 H new ATOM 0 HA CYS A 53 12.628 -4.806 -10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.800 -3.044 -8.848 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.201 -3.430 -8.242 1.00 0.00 H new ATOM 0 HG CYS A 53 12.428 -4.828 -6.340 1.00 0.00 H new ATOM 871 N GLN A 54 11.411 -6.900 -9.953 1.00 0.00 N ATOM 872 CA GLN A 54 10.731 -8.204 -9.855 1.00 0.00 C ATOM 873 C GLN A 54 11.371 -9.118 -8.788 1.00 0.00 C ATOM 874 O GLN A 54 11.003 -10.290 -8.665 1.00 0.00 O ATOM 875 CB GLN A 54 10.775 -8.892 -11.232 1.00 0.00 C ATOM 876 CG GLN A 54 10.101 -8.124 -12.384 1.00 0.00 C ATOM 877 CD GLN A 54 8.573 -8.111 -12.306 1.00 0.00 C ATOM 878 OE1 GLN A 54 7.887 -8.912 -12.929 1.00 0.00 O ATOM 879 NE2 GLN A 54 7.970 -7.204 -11.568 1.00 0.00 N ATOM 0 H GLN A 54 12.424 -6.995 -10.032 1.00 0.00 H new ATOM 0 HA GLN A 54 9.700 -8.028 -9.548 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.818 -9.067 -11.497 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.300 -9.869 -11.145 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.464 -7.096 -12.385 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.403 -8.570 -13.332 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.521 -6.527 -11.041 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.951 -7.178 -11.523 1.00 0.00 H new ATOM 888 N ALA A 55 12.335 -8.607 -8.016 1.00 0.00 N ATOM 889 CA ALA A 55 13.062 -9.357 -6.998 1.00 0.00 C ATOM 890 C ALA A 55 12.266 -9.491 -5.685 1.00 0.00 C ATOM 891 O ALA A 55 11.866 -10.600 -5.319 1.00 0.00 O ATOM 892 CB ALA A 55 14.435 -8.702 -6.810 1.00 0.00 C ATOM 0 H ALA A 55 12.636 -7.635 -8.087 1.00 0.00 H new ATOM 0 HA ALA A 55 13.205 -10.385 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 55 14.997 -9.247 -6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 55 14.981 -8.725 -7.753 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.304 -7.668 -6.491 1.00 0.00 H new ATOM 898 N GLY A 56 12.042 -8.390 -4.958 1.00 0.00 N ATOM 899 CA GLY A 56 11.315 -8.369 -3.681 1.00 0.00 C ATOM 900 C GLY A 56 12.132 -8.948 -2.521 1.00 0.00 C ATOM 901 O GLY A 56 12.609 -8.212 -1.659 1.00 0.00 O ATOM 0 H GLY A 56 12.368 -7.468 -5.247 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.035 -7.342 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.390 -8.936 -3.786 1.00 0.00 H new ATOM 905 N LYS A 57 12.311 -10.275 -2.515 1.00 0.00 N ATOM 906 CA LYS A 57 13.093 -11.040 -1.528 1.00 0.00 C ATOM 907 C LYS A 57 14.558 -10.581 -1.500 1.00 0.00 C ATOM 908 O LYS A 57 15.092 -10.241 -0.445 1.00 0.00 O ATOM 909 CB LYS A 57 13.024 -12.549 -1.847 1.00 0.00 C ATOM 910 CG LYS A 57 11.637 -13.205 -1.737 1.00 0.00 C ATOM 911 CD LYS A 57 11.068 -13.202 -0.311 1.00 0.00 C ATOM 912 CE LYS A 57 9.920 -14.216 -0.206 1.00 0.00 C ATOM 913 NZ LYS A 57 9.529 -14.469 1.204 1.00 0.00 N ATOM 0 H LYS A 57 11.897 -10.874 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 57 12.659 -10.858 -0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.396 -12.702 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.704 -13.072 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.944 -12.683 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.702 -14.234 -2.092 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.852 -13.452 0.404 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.709 -12.205 -0.055 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.058 -13.846 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.221 -15.154 -0.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.836 -15.243 1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.370 -14.733 1.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.107 -13.608 1.607 1.00 0.00 H new ATOM 927 N ALA A 58 15.205 -10.607 -2.669 1.00 0.00 N ATOM 928 CA ALA A 58 16.611 -10.251 -2.872 1.00 0.00 C ATOM 929 C ALA A 58 16.884 -8.733 -2.971 1.00 0.00 C ATOM 930 O ALA A 58 18.033 -8.315 -2.794 1.00 0.00 O ATOM 931 CB ALA A 58 17.109 -10.982 -4.127 1.00 0.00 C ATOM 0 H ALA A 58 14.744 -10.888 -3.534 1.00 0.00 H new ATOM 0 HA ALA A 58 17.160 -10.565 -1.984 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.156 -10.734 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.010 -12.058 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.515 -10.674 -4.987 1.00 0.00 H new ATOM 937 N CYS A 59 15.867 -7.907 -3.260 1.00 0.00 N ATOM 938 CA CYS A 59 16.009 -6.456 -3.394 1.00 0.00 C ATOM 939 C CYS A 59 16.475 -5.817 -2.068 1.00 0.00 C ATOM 940 O CYS A 59 15.911 -6.057 -0.994 1.00 0.00 O ATOM 941 CB CYS A 59 14.692 -5.856 -3.914 1.00 0.00 C ATOM 942 SG CYS A 59 14.979 -4.223 -4.677 1.00 0.00 S ATOM 0 H CYS A 59 14.913 -8.236 -3.408 1.00 0.00 H new ATOM 0 HA CYS A 59 16.787 -6.233 -4.125 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.244 -6.530 -4.644 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.982 -5.759 -3.092 1.00 0.00 H new ATOM 0 HG CYS A 59 14.346 -4.156 -5.810 1.00 0.00 H new ATOM 947 N GLN A 60 17.545 -5.021 -2.147 1.00 0.00 N ATOM 948 CA GLN A 60 18.177 -4.340 -1.010 1.00 0.00 C ATOM 949 C GLN A 60 17.273 -3.272 -0.365 1.00 0.00 C ATOM 950 O GLN A 60 17.379 -3.015 0.837 1.00 0.00 O ATOM 951 CB GLN A 60 19.507 -3.708 -1.453 1.00 0.00 C ATOM 952 CG GLN A 60 20.537 -4.754 -1.912 1.00 0.00 C ATOM 953 CD GLN A 60 21.875 -4.110 -2.268 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.818 -4.091 -1.486 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.017 -3.556 -3.456 1.00 0.00 N ATOM 0 H GLN A 60 18.012 -4.825 -3.033 1.00 0.00 H new ATOM 0 HA GLN A 60 18.357 -5.098 -0.248 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.319 -3.008 -2.267 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.924 -3.132 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.686 -5.489 -1.121 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.150 -5.291 -2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 60 21.241 -3.564 -4.118 1.00 0.00 H new ATOM 0 HE22 GLN A 60 22.903 -3.120 -3.713 1.00 0.00 H new ATOM 964 N VAL A 61 16.399 -2.637 -1.152 1.00 0.00 N ATOM 965 CA VAL A 61 15.469 -1.586 -0.710 1.00 0.00 C ATOM 966 C VAL A 61 14.429 -2.153 0.266 1.00 0.00 C ATOM 967 O VAL A 61 13.612 -3.003 -0.094 1.00 0.00 O ATOM 968 CB VAL A 61 14.782 -0.910 -1.919 1.00 0.00 C ATOM 969 CG1 VAL A 61 13.889 0.259 -1.477 1.00 0.00 C ATOM 970 CG2 VAL A 61 15.813 -0.339 -2.907 1.00 0.00 C ATOM 0 H VAL A 61 16.314 -2.845 -2.147 1.00 0.00 H new ATOM 0 HA VAL A 61 16.046 -0.825 -0.184 1.00 0.00 H new ATOM 0 HB VAL A 61 14.186 -1.687 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.422 0.711 -2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.116 -0.109 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.495 1.005 -0.963 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.295 0.129 -3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.429 0.404 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.447 -1.145 -3.277 1.00 0.00 H new ATOM 980 N ALA A 62 14.441 -1.658 1.508 1.00 0.00 N ATOM 981 CA ALA A 62 13.520 -2.032 2.589 1.00 0.00 C ATOM 982 C ALA A 62 12.047 -1.972 2.141 1.00 0.00 C ATOM 983 O ALA A 62 11.277 -2.925 2.290 1.00 0.00 O ATOM 984 CB ALA A 62 13.798 -1.098 3.777 1.00 0.00 C ATOM 0 H ALA A 62 15.121 -0.956 1.801 1.00 0.00 H new ATOM 0 HA ALA A 62 13.690 -3.068 2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.129 -1.348 4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.832 -1.218 4.100 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.630 -0.064 3.474 1.00 0.00 H new ATOM 990 N HIS A 63 11.664 -0.827 1.570 1.00 0.00 N ATOM 991 CA HIS A 63 10.318 -0.553 1.063 1.00 0.00 C ATOM 992 C HIS A 63 9.879 -1.502 -0.064 1.00 0.00 C ATOM 993 O HIS A 63 8.718 -1.892 -0.049 1.00 0.00 O ATOM 994 CB HIS A 63 10.183 0.928 0.685 1.00 0.00 C ATOM 995 CG HIS A 63 10.505 1.855 1.834 1.00 0.00 C ATOM 996 ND1 HIS A 63 9.771 1.990 3.001 1.00 0.00 N ATOM 997 CD2 HIS A 63 11.613 2.652 1.931 1.00 0.00 C ATOM 998 CE1 HIS A 63 10.439 2.842 3.803 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.556 3.265 3.172 1.00 0.00 N ATOM 0 H HIS A 63 12.302 -0.041 1.444 1.00 0.00 H new ATOM 0 HA HIS A 63 9.619 -0.759 1.874 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.848 1.147 -0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.166 1.120 0.343 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.887 1.529 3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.383 2.779 1.184 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.130 3.140 4.794 1.00 0.00 H new ATOM 1008 N CYS A 64 10.750 -1.910 -0.996 1.00 0.00 N ATOM 1009 CA CYS A 64 10.423 -2.877 -2.059 1.00 0.00 C ATOM 1010 C CYS A 64 9.968 -4.218 -1.437 1.00 0.00 C ATOM 1011 O CYS A 64 8.855 -4.697 -1.679 1.00 0.00 O ATOM 1012 CB CYS A 64 11.633 -3.035 -2.999 1.00 0.00 C ATOM 1013 SG CYS A 64 11.281 -4.166 -4.389 1.00 0.00 S ATOM 0 H CYS A 64 11.713 -1.576 -1.036 1.00 0.00 H new ATOM 0 HA CYS A 64 9.590 -2.511 -2.659 1.00 0.00 H new ATOM 0 HB2 CYS A 64 11.917 -2.058 -3.390 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.485 -3.412 -2.433 1.00 0.00 H new ATOM 0 HG CYS A 64 12.110 -5.167 -4.354 1.00 0.00 H new ATOM 1018 N ALA A 65 10.801 -4.793 -0.565 1.00 0.00 N ATOM 1019 CA ALA A 65 10.503 -6.021 0.172 1.00 0.00 C ATOM 1020 C ALA A 65 9.165 -5.934 0.947 1.00 0.00 C ATOM 1021 O ALA A 65 8.356 -6.864 0.913 1.00 0.00 O ATOM 1022 CB ALA A 65 11.693 -6.325 1.090 1.00 0.00 C ATOM 0 H ALA A 65 11.720 -4.408 -0.348 1.00 0.00 H new ATOM 0 HA ALA A 65 10.366 -6.843 -0.530 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.495 -7.238 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.592 -6.457 0.488 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.839 -5.497 1.783 1.00 0.00 H new ATOM 1028 N SER A 66 8.937 -4.817 1.647 1.00 0.00 N ATOM 1029 CA SER A 66 7.740 -4.530 2.455 1.00 0.00 C ATOM 1030 C SER A 66 6.460 -4.316 1.629 1.00 0.00 C ATOM 1031 O SER A 66 5.460 -4.995 1.852 1.00 0.00 O ATOM 1032 CB SER A 66 7.978 -3.300 3.338 1.00 0.00 C ATOM 1033 OG SER A 66 9.135 -3.470 4.131 1.00 0.00 O ATOM 0 H SER A 66 9.611 -4.052 1.668 1.00 0.00 H new ATOM 0 HA SER A 66 7.578 -5.420 3.063 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.086 -2.413 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.113 -3.134 3.980 1.00 0.00 H new ATOM 0 HG SER A 66 9.932 -3.290 3.590 1.00 0.00 H new ATOM 1039 N SER A 67 6.466 -3.366 0.687 1.00 0.00 N ATOM 1040 CA SER A 67 5.348 -2.976 -0.195 1.00 0.00 C ATOM 1041 C SER A 67 4.692 -4.155 -0.910 1.00 0.00 C ATOM 1042 O SER A 67 3.472 -4.307 -0.882 1.00 0.00 O ATOM 1043 CB SER A 67 5.785 -1.923 -1.215 1.00 0.00 C ATOM 1044 OG SER A 67 6.885 -2.380 -1.965 1.00 0.00 O ATOM 0 H SER A 67 7.302 -2.811 0.505 1.00 0.00 H new ATOM 0 HA SER A 67 4.594 -2.548 0.466 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.955 -1.690 -1.883 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.049 -0.999 -0.700 1.00 0.00 H new ATOM 0 HG SER A 67 7.715 -2.172 -1.488 1.00 0.00 H new ATOM 1050 N ARG A 68 5.482 -5.024 -1.541 1.00 0.00 N ATOM 1051 CA ARG A 68 4.971 -6.228 -2.210 1.00 0.00 C ATOM 1052 C ARG A 68 4.157 -7.082 -1.229 1.00 0.00 C ATOM 1053 O ARG A 68 3.052 -7.505 -1.556 1.00 0.00 O ATOM 1054 CB ARG A 68 6.136 -6.992 -2.841 1.00 0.00 C ATOM 1055 CG ARG A 68 6.859 -6.157 -3.909 1.00 0.00 C ATOM 1056 CD ARG A 68 8.088 -6.912 -4.418 1.00 0.00 C ATOM 1057 NE ARG A 68 8.959 -6.046 -5.222 1.00 0.00 N ATOM 1058 CZ ARG A 68 8.778 -5.610 -6.445 1.00 0.00 C ATOM 1059 NH1 ARG A 68 7.710 -5.847 -7.149 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.689 -4.902 -7.007 1.00 0.00 N ATOM 0 H ARG A 68 6.494 -4.916 -1.605 1.00 0.00 H new ATOM 0 HA ARG A 68 4.289 -5.949 -3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.845 -7.279 -2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.765 -7.913 -3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.183 -5.946 -4.737 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.159 -5.197 -3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.649 -7.308 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.769 -7.765 -5.017 1.00 0.00 H new ATOM 0 HE ARG A 68 9.821 -5.743 -4.768 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.951 -6.402 -6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.632 -5.478 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.548 -4.682 -6.502 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.554 -4.560 -7.958 1.00 0.00 H new ATOM 1074 N GLN A 69 4.678 -7.277 -0.014 1.00 0.00 N ATOM 1075 CA GLN A 69 4.048 -8.002 1.095 1.00 0.00 C ATOM 1076 C GLN A 69 2.696 -7.386 1.505 1.00 0.00 C ATOM 1077 O GLN A 69 1.691 -8.097 1.515 1.00 0.00 O ATOM 1078 CB GLN A 69 5.029 -8.067 2.282 1.00 0.00 C ATOM 1079 CG GLN A 69 4.957 -9.372 3.084 1.00 0.00 C ATOM 1080 CD GLN A 69 3.673 -9.636 3.873 1.00 0.00 C ATOM 1081 OE1 GLN A 69 3.266 -10.773 4.038 1.00 0.00 O ATOM 1082 NE2 GLN A 69 2.998 -8.650 4.424 1.00 0.00 N ATOM 0 H GLN A 69 5.598 -6.915 0.236 1.00 0.00 H new ATOM 0 HA GLN A 69 3.824 -9.015 0.762 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.045 -7.939 1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.828 -7.230 2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.106 -10.202 2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.793 -9.385 3.784 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.313 -7.687 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.160 -8.849 4.971 1.00 0.00 H new ATOM 1091 N ILE A 70 2.644 -6.086 1.844 1.00 0.00 N ATOM 1092 CA ILE A 70 1.384 -5.411 2.230 1.00 0.00 C ATOM 1093 C ILE A 70 0.288 -5.573 1.167 1.00 0.00 C ATOM 1094 O ILE A 70 -0.859 -5.864 1.515 1.00 0.00 O ATOM 1095 CB ILE A 70 1.533 -3.923 2.649 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.504 -3.080 1.815 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.851 -3.819 4.146 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.507 -1.566 2.075 1.00 0.00 C ATOM 0 H ILE A 70 3.462 -5.476 1.860 1.00 0.00 H new ATOM 0 HA ILE A 70 1.076 -5.936 3.134 1.00 0.00 H new ATOM 0 HB ILE A 70 0.560 -3.479 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.513 -3.456 1.986 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.277 -3.243 0.761 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.953 -2.770 4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.043 -4.271 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.784 -4.342 4.357 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.236 -1.086 1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.516 -1.160 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.771 -1.376 3.115 1.00 0.00 H new ATOM 1110 N ILE A 71 0.620 -5.413 -0.118 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.351 -5.585 -1.209 1.00 0.00 C ATOM 1112 C ILE A 71 -0.749 -7.059 -1.379 1.00 0.00 C ATOM 1113 O ILE A 71 -1.941 -7.329 -1.548 1.00 0.00 O ATOM 1114 CB ILE A 71 0.111 -4.868 -2.495 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.399 -3.369 -2.234 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -0.949 -4.965 -3.603 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.659 -2.624 -1.396 1.00 0.00 C ATOM 0 H ILE A 71 1.558 -5.163 -0.431 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.281 -5.083 -0.941 1.00 0.00 H new ATOM 0 HB ILE A 71 1.025 -5.369 -2.814 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.361 -3.285 -1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.497 -2.864 -3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.592 -4.450 -4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.134 -6.013 -3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.875 -4.501 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.359 -1.583 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.622 -2.667 -1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.745 -3.094 -0.417 1.00 0.00 H new ATOM 1129 N SER A 72 0.184 -8.019 -1.258 1.00 0.00 N ATOM 1130 CA SER A 72 -0.145 -9.456 -1.239 1.00 0.00 C ATOM 1131 C SER A 72 -1.206 -9.734 -0.173 1.00 0.00 C ATOM 1132 O SER A 72 -2.226 -10.354 -0.475 1.00 0.00 O ATOM 1133 CB SER A 72 1.051 -10.354 -0.909 1.00 0.00 C ATOM 1134 OG SER A 72 2.059 -10.343 -1.888 1.00 0.00 O ATOM 0 H SER A 72 1.181 -7.823 -1.171 1.00 0.00 H new ATOM 0 HA SER A 72 -0.492 -9.687 -2.246 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.479 -10.038 0.042 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.699 -11.377 -0.776 1.00 0.00 H new ATOM 0 HG SER A 72 2.621 -11.140 -1.788 1.00 0.00 H new ATOM 1140 N HIS A 73 -0.976 -9.262 1.062 1.00 0.00 N ATOM 1141 CA HIS A 73 -1.916 -9.407 2.172 1.00 0.00 C ATOM 1142 C HIS A 73 -3.274 -8.810 1.792 1.00 0.00 C ATOM 1143 O HIS A 73 -4.245 -9.558 1.721 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.371 -8.805 3.481 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.232 -9.128 4.688 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.850 -9.899 5.765 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.541 -8.763 4.903 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.908 -10.013 6.590 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -3.969 -9.337 6.109 1.00 0.00 N ATOM 0 H HIS A 73 -0.122 -8.765 1.315 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.049 -10.472 2.363 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.361 -9.177 3.652 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.298 -7.723 3.373 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.928 -10.311 5.911 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.138 -8.140 4.253 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.906 -10.572 7.514 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.363 -7.496 1.541 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.635 -6.837 1.227 1.00 0.00 C ATOM 1159 C TRP A 74 -5.438 -7.509 0.096 1.00 0.00 C ATOM 1160 O TRP A 74 -6.659 -7.647 0.211 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.448 -5.330 0.991 1.00 0.00 C ATOM 1162 CG TRP A 74 -5.720 -4.543 1.132 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.582 -4.671 2.167 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.312 -3.536 0.247 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -7.681 -3.864 1.970 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.562 -3.137 0.811 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -5.937 -2.911 -0.965 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.393 -2.185 0.212 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.758 -1.930 -1.562 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -7.985 -1.567 -0.973 1.00 0.00 C ATOM 0 H TRP A 74 -2.561 -6.866 1.550 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.253 -6.963 2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.712 -4.947 1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.041 -5.174 -0.008 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.431 -5.312 3.023 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.479 -3.813 2.603 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.008 -3.189 -1.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.341 -1.930 0.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.443 -1.454 -2.478 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.607 -0.815 -1.435 1.00 0.00 H new ATOM 1181 N LYS A 75 -4.777 -7.953 -0.985 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.429 -8.666 -2.098 1.00 0.00 C ATOM 1183 C LYS A 75 -5.988 -10.034 -1.660 1.00 0.00 C ATOM 1184 O LYS A 75 -7.163 -10.320 -1.897 1.00 0.00 O ATOM 1185 CB LYS A 75 -4.475 -8.790 -3.302 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.263 -9.220 -4.552 1.00 0.00 C ATOM 1187 CD LYS A 75 -4.382 -9.480 -5.780 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.298 -9.917 -6.932 1.00 0.00 C ATOM 1189 NZ LYS A 75 -4.550 -10.498 -8.076 1.00 0.00 N ATOM 0 H LYS A 75 -3.773 -7.828 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.286 -8.072 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.979 -7.836 -3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.694 -9.519 -3.085 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.826 -10.125 -4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.990 -8.446 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.830 -8.580 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.645 -10.253 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.014 -10.651 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.873 -9.058 -7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.139 -11.214 -8.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.311 -9.745 -8.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.676 -10.943 -7.729 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.159 -10.888 -1.053 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.525 -12.243 -0.604 1.00 0.00 C ATOM 1205 C ASN A 76 -6.521 -12.273 0.575 1.00 0.00 C ATOM 1206 O ASN A 76 -7.328 -13.203 0.662 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.255 -13.032 -0.239 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.501 -13.579 -1.445 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -3.351 -12.941 -2.479 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.010 -14.795 -1.360 1.00 0.00 N ATOM 0 H ASN A 76 -4.187 -10.654 -0.853 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.041 -12.710 -1.443 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.588 -12.385 0.331 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.529 -13.861 0.413 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.509 -15.199 -2.151 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -3.130 -15.335 -0.503 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.439 -11.321 1.507 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.263 -11.245 2.710 1.00 0.00 C ATOM 1219 C CYS A 77 -8.754 -10.981 2.403 1.00 0.00 C ATOM 1220 O CYS A 77 -9.124 -10.063 1.662 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.663 -10.198 3.662 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.296 -10.386 5.360 1.00 0.00 S ATOM 0 H CYS A 77 -5.770 -10.554 1.440 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.250 -12.218 3.201 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.577 -10.291 3.667 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -6.896 -9.198 3.296 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.730 -9.239 5.791 1.00 0.00 H new ATOM 1227 N THR A 78 -9.611 -11.815 2.992 1.00 0.00 N ATOM 1228 CA THR A 78 -11.083 -11.804 2.899 1.00 0.00 C ATOM 1229 C THR A 78 -11.750 -11.781 4.283 1.00 0.00 C ATOM 1230 O THR A 78 -12.982 -11.774 4.390 1.00 0.00 O ATOM 1231 CB THR A 78 -11.601 -13.001 2.080 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.108 -14.221 2.602 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.183 -12.914 0.610 1.00 0.00 C ATOM 0 H THR A 78 -9.278 -12.571 3.590 1.00 0.00 H new ATOM 0 HA THR A 78 -11.355 -10.884 2.382 1.00 0.00 H new ATOM 0 HB THR A 78 -12.688 -12.969 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.738 -14.763 1.874 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.570 -13.778 0.070 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.586 -12.001 0.171 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.095 -12.900 0.541 1.00 0.00 H new ATOM 1241 N ARG A 79 -10.952 -11.717 5.358 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.387 -11.646 6.759 1.00 0.00 C ATOM 1243 C ARG A 79 -12.292 -10.426 6.973 1.00 0.00 C ATOM 1244 O ARG A 79 -11.923 -9.288 6.671 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.130 -11.620 7.647 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.452 -11.619 9.145 1.00 0.00 C ATOM 1247 CD ARG A 79 -9.184 -11.500 9.997 1.00 0.00 C ATOM 1248 NE ARG A 79 -9.527 -11.190 11.395 1.00 0.00 N ATOM 1249 CZ ARG A 79 -8.715 -10.785 12.352 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -7.429 -10.673 12.169 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -9.188 -10.481 13.526 1.00 0.00 N ATOM 0 H ARG A 79 -9.936 -11.713 5.269 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.983 -12.517 7.030 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.511 -12.487 7.415 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.541 -10.734 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -11.122 -10.790 9.373 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.980 -12.537 9.404 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.621 -12.432 9.953 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.540 -10.719 9.593 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.507 -11.302 11.653 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.021 -10.902 11.263 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.831 -10.356 12.932 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.189 -10.556 13.708 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.558 -10.168 14.264 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.497 -10.667 7.496 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.532 -9.647 7.752 1.00 0.00 C ATOM 1267 C HIS A 80 -14.269 -8.777 9.003 1.00 0.00 C ATOM 1268 O HIS A 80 -15.119 -7.969 9.375 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.907 -10.342 7.815 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.409 -10.946 6.515 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.661 -11.369 5.424 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -17.727 -11.179 6.232 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.518 -11.852 4.501 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -17.779 -11.745 4.969 1.00 0.00 N ATOM 0 H HIS A 80 -13.794 -11.605 7.763 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.507 -8.938 6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.858 -11.132 8.564 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.643 -9.617 8.163 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -14.646 -11.323 5.336 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -18.569 -10.962 6.873 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.239 -12.259 3.540 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.113 -8.922 9.659 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.707 -8.162 10.852 1.00 0.00 C ATOM 1285 C ASP A 81 -11.179 -7.915 10.971 1.00 0.00 C ATOM 1286 O ASP A 81 -10.701 -7.598 12.064 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.273 -8.843 12.118 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.487 -10.093 12.551 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.348 -11.041 11.748 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -11.973 -10.137 13.695 1.00 0.00 O ATOM 0 H ASP A 81 -12.406 -9.596 9.365 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.134 -7.165 10.745 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.275 -8.124 12.937 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.311 -9.122 11.937 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.406 -8.014 9.876 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.960 -7.733 9.896 1.00 0.00 C ATOM 1297 C CYS A 82 -8.758 -6.243 10.282 1.00 0.00 C ATOM 1298 O CYS A 82 -9.498 -5.390 9.773 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.351 -8.027 8.509 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.606 -8.583 8.532 1.00 0.00 S ATOM 0 H CYS A 82 -10.762 -8.288 8.960 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.458 -8.369 10.625 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.954 -8.792 8.019 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.422 -7.126 7.899 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.368 -9.309 7.480 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.799 -5.887 11.158 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.581 -4.510 11.621 1.00 0.00 C ATOM 1307 C PRO A 83 -7.257 -3.473 10.532 1.00 0.00 C ATOM 1308 O PRO A 83 -7.253 -2.278 10.837 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.464 -4.602 12.670 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.727 -5.881 12.279 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.864 -6.782 11.817 1.00 0.00 C ATOM 0 HA PRO A 83 -8.518 -4.127 12.024 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.808 -3.732 12.637 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.865 -4.661 13.682 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.000 -5.705 11.486 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.184 -6.311 13.121 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.506 -7.553 11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.331 -7.293 12.659 1.00 0.00 H new ATOM 1319 N VAL A 84 -7.001 -3.880 9.283 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.686 -2.972 8.165 1.00 0.00 C ATOM 1321 C VAL A 84 -7.616 -3.243 6.981 1.00 0.00 C ATOM 1322 O VAL A 84 -8.279 -2.330 6.487 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.211 -3.053 7.717 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.802 -1.675 7.180 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.249 -3.478 8.828 1.00 0.00 C ATOM 0 H VAL A 84 -7.006 -4.864 9.013 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.847 -1.958 8.532 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.142 -3.826 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.762 -1.705 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.438 -1.410 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.916 -0.929 7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.233 -3.512 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.299 -2.760 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.530 -4.466 9.194 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.676 -4.492 6.524 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.481 -4.957 5.408 1.00 0.00 C ATOM 1337 C CYS A 85 -9.979 -4.642 5.578 1.00 0.00 C ATOM 1338 O CYS A 85 -10.630 -4.290 4.591 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.190 -6.453 5.189 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.407 -6.830 5.374 1.00 0.00 S ATOM 0 H CYS A 85 -7.133 -5.244 6.949 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.201 -4.411 4.508 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.763 -7.044 5.904 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.523 -6.747 4.193 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.214 -7.483 6.482 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.540 -4.758 6.793 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.938 -4.404 7.073 1.00 0.00 C ATOM 1347 C LEU A 86 -12.190 -2.892 6.883 1.00 0.00 C ATOM 1348 O LEU A 86 -12.989 -2.560 6.005 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.426 -4.963 8.425 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.939 -4.828 8.713 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.403 -3.411 9.057 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.811 -5.346 7.566 1.00 0.00 C ATOM 0 H LEU A 86 -10.034 -5.101 7.610 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.562 -4.900 6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.161 -6.019 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.879 -4.459 9.222 1.00 0.00 H new ATOM 0 HG LEU A 86 -14.071 -5.451 9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.477 -3.415 9.243 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.882 -3.064 9.949 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.181 -2.743 8.224 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.863 -5.225 7.825 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.594 -4.781 6.660 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.598 -6.401 7.395 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.565 -1.960 7.636 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.808 -0.527 7.450 1.00 0.00 C ATOM 1366 C PRO A 87 -11.544 -0.064 6.004 1.00 0.00 C ATOM 1367 O PRO A 87 -12.334 0.702 5.455 1.00 0.00 O ATOM 1368 CB PRO A 87 -10.980 0.199 8.514 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.918 -0.814 8.931 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.612 -2.160 8.722 1.00 0.00 C ATOM 0 HA PRO A 87 -12.861 -0.283 7.590 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.527 1.106 8.114 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.597 0.498 9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.018 -0.727 8.322 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.615 -0.675 9.969 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.889 -2.936 8.468 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.119 -2.482 9.631 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.486 -0.552 5.344 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.213 -0.242 3.933 1.00 0.00 C ATOM 1380 C LEU A 88 -11.355 -0.683 2.995 1.00 0.00 C ATOM 1381 O LEU A 88 -11.766 0.117 2.149 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.856 -0.809 3.518 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.655 -0.080 4.151 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.392 -0.805 3.709 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.535 1.383 3.703 1.00 0.00 C ATOM 0 H LEU A 88 -9.797 -1.171 5.771 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.165 0.842 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.814 -1.863 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.768 -0.758 2.433 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.795 -0.084 5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.520 -0.313 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.429 -1.840 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.321 -0.781 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.670 1.841 4.183 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.412 1.423 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.437 1.925 3.986 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.891 -1.910 3.124 1.00 0.00 N ATOM 1398 CA LYS A 89 -13.033 -2.353 2.297 1.00 0.00 C ATOM 1399 C LYS A 89 -14.336 -1.621 2.649 1.00 0.00 C ATOM 1400 O LYS A 89 -15.105 -1.287 1.745 1.00 0.00 O ATOM 1401 CB LYS A 89 -13.205 -3.886 2.279 1.00 0.00 C ATOM 1402 CG LYS A 89 -13.848 -4.513 3.526 1.00 0.00 C ATOM 1403 CD LYS A 89 -14.214 -5.990 3.347 1.00 0.00 C ATOM 1404 CE LYS A 89 -13.047 -6.908 2.945 1.00 0.00 C ATOM 1405 NZ LYS A 89 -11.951 -6.928 3.953 1.00 0.00 N ATOM 0 H LYS A 89 -11.556 -2.609 3.787 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.786 -2.067 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.809 -4.152 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -12.224 -4.339 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.161 -4.416 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.747 -3.952 3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.641 -6.358 4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.993 -6.066 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -13.421 -7.922 2.803 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -12.646 -6.579 1.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -11.201 -7.575 3.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.560 -5.970 4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.326 -7.252 4.867 1.00 0.00 H new ATOM 1731 N GLY B 114 8.431 8.467 11.662 1.00 0.00 N ATOM 1732 CA GLY B 114 8.698 8.904 10.286 1.00 0.00 C ATOM 1733 C GLY B 114 8.402 7.762 9.310 1.00 0.00 C ATOM 1734 O GLY B 114 7.241 7.389 9.138 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.082 9.770 10.044 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.738 9.216 10.190 1.00 0.00 H new ATOM 1738 N LEU B 115 9.442 7.165 8.721 1.00 0.00 N ATOM 1739 CA LEU B 115 9.365 5.991 7.840 1.00 0.00 C ATOM 1740 C LEU B 115 10.303 4.887 8.370 1.00 0.00 C ATOM 1741 O LEU B 115 11.488 5.162 8.597 1.00 0.00 O ATOM 1742 CB LEU B 115 9.726 6.355 6.387 1.00 0.00 C ATOM 1743 CG LEU B 115 8.670 7.170 5.620 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.160 7.379 4.185 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.323 6.451 5.541 1.00 0.00 C ATOM 0 H LEU B 115 10.398 7.497 8.848 1.00 0.00 H new ATOM 0 HA LEU B 115 8.338 5.625 7.840 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.658 6.919 6.394 1.00 0.00 H new ATOM 0 HB3 LEU B 115 9.916 5.433 5.838 1.00 0.00 H new ATOM 0 HG LEU B 115 8.533 8.110 6.154 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.421 7.956 3.629 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.107 7.919 4.199 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.302 6.411 3.704 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.613 7.068 4.990 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.449 5.497 5.028 1.00 0.00 H new ATOM 0 HD23 LEU B 115 6.945 6.274 6.548 1.00 0.00 H new ATOM 1757 N PRO B 116 9.811 3.650 8.582 1.00 0.00 N ATOM 1758 CA PRO B 116 10.614 2.548 9.110 1.00 0.00 C ATOM 1759 C PRO B 116 11.450 1.845 8.030 1.00 0.00 C ATOM 1760 O PRO B 116 11.325 2.114 6.833 1.00 0.00 O ATOM 1761 CB PRO B 116 9.569 1.588 9.687 1.00 0.00 C ATOM 1762 CG PRO B 116 8.429 1.702 8.675 1.00 0.00 C ATOM 1763 CD PRO B 116 8.439 3.198 8.358 1.00 0.00 C ATOM 0 HA PRO B 116 11.343 2.899 9.840 1.00 0.00 H new ATOM 0 HB2 PRO B 116 9.949 0.569 9.759 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.255 1.883 10.688 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.608 1.095 7.788 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.476 1.380 9.095 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.132 3.380 7.328 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.741 3.737 8.999 1.00 0.00 H new ATOM 1771 N GLN B 117 12.252 0.870 8.466 1.00 0.00 N ATOM 1772 CA GLN B 117 13.036 -0.030 7.618 1.00 0.00 C ATOM 1773 C GLN B 117 12.569 -1.472 7.864 1.00 0.00 C ATOM 1774 O GLN B 117 13.320 -2.343 8.314 1.00 0.00 O ATOM 1775 CB GLN B 117 14.546 0.182 7.825 1.00 0.00 C ATOM 1776 CG GLN B 117 15.022 1.441 7.090 1.00 0.00 C ATOM 1777 CD GLN B 117 16.509 1.703 7.313 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.357 1.390 6.486 1.00 0.00 O ATOM 1779 NE2 GLN B 117 16.890 2.285 8.432 1.00 0.00 N ATOM 0 H GLN B 117 12.377 0.679 9.460 1.00 0.00 H new ATOM 0 HA GLN B 117 12.865 0.195 6.565 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.763 0.272 8.889 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.094 -0.687 7.460 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.829 1.333 6.023 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.447 2.301 7.433 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.196 2.552 9.130 1.00 0.00 H new ATOM 0 HE22 GLN B 117 17.879 2.469 8.600 1.00 0.00 H new ATOM 1788 N LEU B 118 11.296 -1.712 7.532 1.00 0.00 N ATOM 1789 CA LEU B 118 10.667 -3.034 7.566 1.00 0.00 C ATOM 1790 C LEU B 118 11.258 -3.898 6.433 1.00 0.00 C ATOM 1791 O LEU B 118 11.954 -3.406 5.539 1.00 0.00 O ATOM 1792 CB LEU B 118 9.141 -2.895 7.391 1.00 0.00 C ATOM 1793 CG LEU B 118 8.385 -2.202 8.536 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.953 -1.925 8.084 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.309 -3.043 9.809 1.00 0.00 C ATOM 0 H LEU B 118 10.661 -0.975 7.225 1.00 0.00 H new ATOM 0 HA LEU B 118 10.862 -3.511 8.526 1.00 0.00 H new ATOM 0 HB2 LEU B 118 8.951 -2.342 6.471 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.720 -3.891 7.256 1.00 0.00 H new ATOM 0 HG LEU B 118 8.936 -1.290 8.767 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.406 -1.433 8.889 1.00 0.00 H new ATOM 0 HD12 LEU B 118 6.967 -1.278 7.207 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.462 -2.865 7.834 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.762 -2.494 10.576 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.793 -3.979 9.596 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.317 -3.257 10.165 1.00 0.00 H new ATOM 1807 N THR B 119 10.977 -5.197 6.461 1.00 0.00 N ATOM 1808 CA THR B 119 11.436 -6.165 5.457 1.00 0.00 C ATOM 1809 C THR B 119 10.321 -7.147 5.113 1.00 0.00 C ATOM 1810 O THR B 119 9.311 -7.233 5.820 1.00 0.00 O ATOM 1811 CB THR B 119 12.683 -6.931 5.942 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.383 -7.695 7.095 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.862 -6.002 6.260 1.00 0.00 C ATOM 0 H THR B 119 10.412 -5.621 7.197 1.00 0.00 H new ATOM 0 HA THR B 119 11.708 -5.607 4.561 1.00 0.00 H new ATOM 0 HB THR B 119 12.976 -7.584 5.120 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.186 -8.175 7.387 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.712 -6.595 6.597 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.139 -5.446 5.364 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.573 -5.303 7.045 1.00 0.00 H new ATOM 1821 N SER B 120 10.515 -7.928 4.047 1.00 0.00 N ATOM 1822 CA SER B 120 9.607 -9.002 3.629 1.00 0.00 C ATOM 1823 C SER B 120 9.366 -9.953 4.805 1.00 0.00 C ATOM 1824 O SER B 120 8.218 -10.202 5.167 1.00 0.00 O ATOM 1825 CB SER B 120 10.176 -9.742 2.412 1.00 0.00 C ATOM 1826 OG SER B 120 11.550 -10.049 2.612 1.00 0.00 O ATOM 0 H SER B 120 11.326 -7.830 3.436 1.00 0.00 H new ATOM 0 HA SER B 120 8.650 -8.575 3.331 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.613 -10.660 2.242 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.061 -9.127 1.519 1.00 0.00 H new ATOM 0 HG SER B 120 11.897 -10.522 1.827 1.00 0.00 H new ATOM 1832 N TYR B 121 10.445 -10.421 5.446 1.00 0.00 N ATOM 1833 CA TYR B 121 10.423 -11.265 6.643 1.00 0.00 C ATOM 1834 C TYR B 121 9.552 -10.663 7.759 1.00 0.00 C ATOM 1835 O TYR B 121 8.593 -11.304 8.187 1.00 0.00 O ATOM 1836 CB TYR B 121 11.854 -11.529 7.134 1.00 0.00 C ATOM 1837 CG TYR B 121 11.911 -12.444 8.346 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.833 -11.906 9.646 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.995 -13.838 8.168 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.816 -12.758 10.768 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.997 -14.694 9.287 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.905 -14.158 10.591 1.00 0.00 C ATOM 1843 OH TYR B 121 11.893 -14.994 11.664 1.00 0.00 O ATOM 0 H TYR B 121 11.393 -10.213 5.131 1.00 0.00 H new ATOM 0 HA TYR B 121 9.968 -12.217 6.370 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.433 -11.973 6.324 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.328 -10.579 7.381 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.786 -10.836 9.783 1.00 0.00 H new ATOM 0 HD2 TYR B 121 12.058 -14.252 7.172 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.735 -12.342 11.762 1.00 0.00 H new ATOM 0 HE2 TYR B 121 12.069 -15.763 9.148 1.00 0.00 H new ATOM 0 HH TYR B 121 11.961 -15.922 11.356 1.00 0.00 H new ATOM 1853 N ASP B 122 9.857 -9.443 8.226 1.00 0.00 N ATOM 1854 CA ASP B 122 9.088 -8.765 9.283 1.00 0.00 C ATOM 1855 C ASP B 122 7.593 -8.678 8.943 1.00 0.00 C ATOM 1856 O ASP B 122 6.749 -9.054 9.758 1.00 0.00 O ATOM 1857 CB ASP B 122 9.647 -7.359 9.574 1.00 0.00 C ATOM 1858 CG ASP B 122 10.762 -7.352 10.633 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.606 -8.013 11.686 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.766 -6.621 10.462 1.00 0.00 O ATOM 0 H ASP B 122 10.646 -8.896 7.881 1.00 0.00 H new ATOM 0 HA ASP B 122 9.194 -9.374 10.181 1.00 0.00 H new ATOM 0 HB2 ASP B 122 10.032 -6.931 8.649 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.834 -6.715 9.909 1.00 0.00 H new ATOM 1865 N CYS B 123 7.262 -8.193 7.744 1.00 0.00 N ATOM 1866 CA CYS B 123 5.888 -8.052 7.269 1.00 0.00 C ATOM 1867 C CYS B 123 5.153 -9.410 7.214 1.00 0.00 C ATOM 1868 O CYS B 123 4.049 -9.523 7.749 1.00 0.00 O ATOM 1869 CB CYS B 123 5.882 -7.300 5.933 1.00 0.00 C ATOM 1870 SG CYS B 123 6.558 -5.626 6.122 1.00 0.00 S ATOM 0 H CYS B 123 7.957 -7.882 7.065 1.00 0.00 H new ATOM 0 HA CYS B 123 5.321 -7.456 7.984 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.469 -7.852 5.199 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.864 -7.243 5.549 1.00 0.00 H new ATOM 0 HG CYS B 123 7.857 -5.677 6.093 1.00 0.00 H new ATOM 1876 N GLU B 124 5.761 -10.445 6.622 1.00 0.00 N ATOM 1877 CA GLU B 124 5.230 -11.820 6.557 1.00 0.00 C ATOM 1878 C GLU B 124 4.938 -12.379 7.958 1.00 0.00 C ATOM 1879 O GLU B 124 3.860 -12.916 8.205 1.00 0.00 O ATOM 1880 CB GLU B 124 6.216 -12.758 5.837 1.00 0.00 C ATOM 1881 CG GLU B 124 6.241 -12.586 4.313 1.00 0.00 C ATOM 1882 CD GLU B 124 7.435 -13.310 3.664 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.719 -14.481 4.015 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.077 -12.731 2.755 1.00 0.00 O ATOM 0 H GLU B 124 6.665 -10.350 6.159 1.00 0.00 H new ATOM 0 HA GLU B 124 4.297 -11.773 5.995 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.218 -12.584 6.228 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.957 -13.790 6.072 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.312 -12.970 3.891 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.286 -11.524 4.070 1.00 0.00 H new ATOM 1891 N VAL B 125 5.898 -12.252 8.878 1.00 0.00 N ATOM 1892 CA VAL B 125 5.820 -12.689 10.280 1.00 0.00 C ATOM 1893 C VAL B 125 4.673 -12.007 11.033 1.00 0.00 C ATOM 1894 O VAL B 125 3.893 -12.672 11.717 1.00 0.00 O ATOM 1895 CB VAL B 125 7.187 -12.440 10.960 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.153 -12.370 12.492 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.161 -13.550 10.552 1.00 0.00 C ATOM 0 H VAL B 125 6.796 -11.821 8.657 1.00 0.00 H new ATOM 0 HA VAL B 125 5.598 -13.756 10.306 1.00 0.00 H new ATOM 0 HB VAL B 125 7.504 -11.455 10.617 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.160 -12.193 12.871 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.499 -11.556 12.805 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.776 -13.312 12.891 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.127 -13.380 11.028 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.766 -14.515 10.868 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.285 -13.546 9.469 1.00 0.00 H new ATOM 1907 N ASN B 126 4.582 -10.678 10.944 1.00 0.00 N ATOM 1908 CA ASN B 126 3.591 -9.867 11.652 1.00 0.00 C ATOM 1909 C ASN B 126 2.168 -9.962 11.075 1.00 0.00 C ATOM 1910 O ASN B 126 1.213 -9.998 11.856 1.00 0.00 O ATOM 1911 CB ASN B 126 4.098 -8.421 11.730 1.00 0.00 C ATOM 1912 CG ASN B 126 5.163 -8.266 12.800 1.00 0.00 C ATOM 1913 OD1 ASN B 126 4.880 -7.919 13.934 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.405 -8.573 12.515 1.00 0.00 N ATOM 0 H ASN B 126 5.211 -10.123 10.363 1.00 0.00 H new ATOM 0 HA ASN B 126 3.488 -10.273 12.658 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.505 -8.124 10.763 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.264 -7.752 11.944 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.122 -8.520 13.238 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.654 -8.865 11.570 1.00 0.00 H new ATOM 1921 N ALA B 127 2.005 -9.994 9.749 1.00 0.00 N ATOM 1922 CA ALA B 127 0.708 -10.079 9.072 1.00 0.00 C ATOM 1923 C ALA B 127 0.733 -11.088 7.892 1.00 0.00 C ATOM 1924 O ALA B 127 0.781 -10.675 6.726 1.00 0.00 O ATOM 1925 CB ALA B 127 0.299 -8.657 8.653 1.00 0.00 C ATOM 0 H ALA B 127 2.792 -9.961 9.100 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.048 -10.475 9.751 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.665 -8.690 8.146 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.222 -8.025 9.538 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.050 -8.246 7.978 1.00 0.00 H new ATOM 1931 N PRO B 128 0.684 -12.409 8.169 1.00 0.00 N ATOM 1932 CA PRO B 128 0.704 -13.463 7.149 1.00 0.00 C ATOM 1933 C PRO B 128 -0.395 -13.336 6.083 1.00 0.00 C ATOM 1934 O PRO B 128 -1.563 -13.091 6.391 1.00 0.00 O ATOM 1935 CB PRO B 128 0.559 -14.790 7.908 1.00 0.00 C ATOM 1936 CG PRO B 128 1.030 -14.469 9.323 1.00 0.00 C ATOM 1937 CD PRO B 128 0.631 -13.006 9.498 1.00 0.00 C ATOM 0 HA PRO B 128 1.636 -13.392 6.588 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.473 -15.141 7.902 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.165 -15.575 7.456 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.549 -15.109 10.063 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.106 -14.609 9.431 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.370 -12.923 9.922 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.310 -12.496 10.181 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.016 -13.542 4.820 1.00 0.00 N ATOM 1946 CA ILE B 129 -0.895 -13.539 3.638 1.00 0.00 C ATOM 1947 C ILE B 129 -1.779 -14.802 3.672 1.00 0.00 C ATOM 1948 O ILE B 129 -1.273 -15.887 3.973 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.027 -13.531 2.352 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.948 -12.331 2.292 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -0.896 -13.501 1.084 1.00 0.00 C ATOM 1952 CD1 ILE B 129 2.184 -12.609 1.428 1.00 0.00 C ATOM 0 H ILE B 129 0.958 -13.725 4.577 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.529 -12.652 3.643 1.00 0.00 H new ATOM 0 HB ILE B 129 0.551 -14.454 2.392 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.422 -11.462 1.896 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.267 -12.078 3.303 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.254 -13.496 0.203 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.537 -14.382 1.061 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.514 -12.603 1.088 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.830 -11.731 1.424 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.730 -13.460 1.836 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.872 -12.834 0.408 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.079 -14.700 3.354 1.00 0.00 N ATOM 1965 CA GLN B 130 -3.958 -15.883 3.302 1.00 0.00 C ATOM 1966 C GLN B 130 -3.491 -16.858 2.205 1.00 0.00 C ATOM 1967 O GLN B 130 -3.208 -16.451 1.072 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.432 -15.513 3.077 1.00 0.00 C ATOM 1969 CG GLN B 130 -6.063 -14.750 4.251 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.594 -14.823 4.223 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -8.247 -15.103 5.221 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -8.229 -14.592 3.094 1.00 0.00 N ATOM 0 H GLN B 130 -3.543 -13.820 3.131 1.00 0.00 H new ATOM 0 HA GLN B 130 -3.887 -16.368 4.276 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.511 -14.905 2.176 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.003 -16.424 2.898 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -5.697 -15.163 5.191 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -5.749 -13.707 4.217 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -7.703 -14.357 2.252 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -9.247 -14.648 3.061 1.00 0.00 H new ATOM 2037 N LEU B 135 4.816 -12.226 -3.035 1.00 0.00 N ATOM 2038 CA LEU B 135 5.240 -10.835 -3.177 1.00 0.00 C ATOM 2039 C LEU B 135 4.649 -10.301 -4.489 1.00 0.00 C ATOM 2040 O LEU B 135 5.254 -10.413 -5.559 1.00 0.00 O ATOM 2041 CB LEU B 135 6.773 -10.705 -3.113 1.00 0.00 C ATOM 2042 CG LEU B 135 7.430 -10.961 -1.742 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.886 -10.508 -1.844 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.836 -10.185 -0.563 1.00 0.00 C ATOM 0 HA LEU B 135 4.869 -10.233 -2.348 1.00 0.00 H new ATOM 0 HB2 LEU B 135 7.204 -11.401 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU B 135 7.044 -9.701 -3.439 1.00 0.00 H new ATOM 0 HG LEU B 135 7.278 -12.021 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.386 -10.674 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU B 135 9.391 -11.079 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.920 -9.447 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.374 -10.442 0.350 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.927 -9.115 -0.749 1.00 0.00 H new ATOM 0 HD23 LEU B 135 5.784 -10.445 -0.449 1.00 0.00 H new ATOM 2056 N LEU B 136 3.441 -9.741 -4.381 1.00 0.00 N ATOM 2057 CA LEU B 136 2.640 -9.142 -5.452 1.00 0.00 C ATOM 2058 C LEU B 136 3.514 -8.148 -6.243 1.00 0.00 C ATOM 2059 O LEU B 136 4.179 -7.299 -5.648 1.00 0.00 O ATOM 2060 CB LEU B 136 1.408 -8.494 -4.780 1.00 0.00 C ATOM 2061 CG LEU B 136 0.150 -8.266 -5.631 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.406 -7.476 -6.901 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -0.573 -9.551 -6.026 1.00 0.00 C ATOM 0 H LEU B 136 2.964 -9.691 -3.481 1.00 0.00 H new ATOM 0 HA LEU B 136 2.287 -9.873 -6.180 1.00 0.00 H new ATOM 0 HB2 LEU B 136 1.127 -9.117 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.717 -7.529 -4.379 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.485 -7.686 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.528 -7.355 -7.449 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.806 -6.495 -6.645 1.00 0.00 H new ATOM 0 HD13 LEU B 136 1.125 -8.010 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.450 -9.306 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU B 136 0.099 -10.182 -6.608 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -0.885 -10.084 -5.128 1.00 0.00 H new ATOM 2075 N GLN B 137 3.582 -8.290 -7.571 1.00 0.00 N ATOM 2076 CA GLN B 137 4.485 -7.509 -8.426 1.00 0.00 C ATOM 2077 C GLN B 137 3.926 -7.178 -9.822 1.00 0.00 C ATOM 2078 O GLN B 137 3.007 -7.828 -10.321 1.00 0.00 O ATOM 2079 CB GLN B 137 5.830 -8.258 -8.506 1.00 0.00 C ATOM 2080 CG GLN B 137 5.744 -9.668 -9.116 1.00 0.00 C ATOM 2081 CD GLN B 137 7.027 -10.457 -8.872 1.00 0.00 C ATOM 2082 OE1 GLN B 137 7.847 -10.657 -9.757 1.00 0.00 O ATOM 2083 NE2 GLN B 137 7.242 -10.937 -7.664 1.00 0.00 N ATOM 0 H GLN B 137 3.007 -8.956 -8.088 1.00 0.00 H new ATOM 0 HA GLN B 137 4.614 -6.529 -7.967 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.527 -7.663 -9.096 1.00 0.00 H new ATOM 0 HB3 GLN B 137 6.248 -8.336 -7.502 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.898 -10.203 -8.684 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.559 -9.592 -10.188 1.00 0.00 H new ATOM 0 HE21 GLN B 137 6.562 -10.773 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN B 137 8.089 -11.472 -7.471 1.00 0.00 H new ATOM 2092 N GLY B 138 4.505 -6.147 -10.448 1.00 0.00 N ATOM 2093 CA GLY B 138 4.153 -5.634 -11.778 1.00 0.00 C ATOM 2094 C GLY B 138 2.758 -5.009 -11.865 1.00 0.00 C ATOM 2095 O GLY B 138 2.296 -4.393 -10.909 1.00 0.00 O ATOM 0 H GLY B 138 5.268 -5.622 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.891 -4.888 -12.074 1.00 0.00 H new ATOM 0 HA3 GLY B 138 4.218 -6.450 -12.498 1.00 0.00 H new ATOM 2099 N GLU B 139 2.089 -5.127 -13.015 1.00 0.00 N ATOM 2100 CA GLU B 139 0.763 -4.532 -13.278 1.00 0.00 C ATOM 2101 C GLU B 139 -0.282 -4.839 -12.189 1.00 0.00 C ATOM 2102 O GLU B 139 -1.074 -3.968 -11.820 1.00 0.00 O ATOM 2103 CB GLU B 139 0.279 -4.961 -14.673 1.00 0.00 C ATOM 2104 CG GLU B 139 -0.997 -4.229 -15.110 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.353 -4.563 -16.571 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -2.087 -5.551 -16.814 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -0.905 -3.834 -17.492 1.00 0.00 O ATOM 0 H GLU B 139 2.457 -5.649 -13.811 1.00 0.00 H new ATOM 0 HA GLU B 139 0.880 -3.449 -13.251 1.00 0.00 H new ATOM 0 HB2 GLU B 139 1.068 -4.772 -15.401 1.00 0.00 H new ATOM 0 HB3 GLU B 139 0.095 -6.035 -14.674 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -1.823 -4.510 -14.457 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.858 -3.153 -15.003 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.264 -6.058 -11.640 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.142 -6.496 -10.548 1.00 0.00 C ATOM 2116 C GLU B 140 -1.087 -5.565 -9.328 1.00 0.00 C ATOM 2117 O GLU B 140 -2.116 -5.377 -8.678 1.00 0.00 O ATOM 2118 CB GLU B 140 -0.806 -7.936 -10.129 1.00 0.00 C ATOM 2119 CG GLU B 140 -1.237 -8.989 -11.153 1.00 0.00 C ATOM 2120 CD GLU B 140 -2.765 -9.013 -11.321 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -3.476 -9.325 -10.335 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -3.268 -8.701 -12.426 1.00 0.00 O ATOM 0 H GLU B 140 0.378 -6.787 -11.950 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.161 -6.457 -10.934 1.00 0.00 H new ATOM 0 HB2 GLU B 140 0.269 -8.017 -9.968 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.289 -8.150 -9.175 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -0.767 -8.779 -12.114 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -0.888 -9.972 -10.836 1.00 0.00 H new ATOM 2129 N LEU B 141 0.074 -4.957 -9.031 1.00 0.00 N ATOM 2130 CA LEU B 141 0.238 -3.982 -7.946 1.00 0.00 C ATOM 2131 C LEU B 141 -0.777 -2.857 -8.127 1.00 0.00 C ATOM 2132 O LEU B 141 -1.627 -2.629 -7.274 1.00 0.00 O ATOM 2133 CB LEU B 141 1.644 -3.350 -7.961 1.00 0.00 C ATOM 2134 CG LEU B 141 2.816 -4.251 -7.558 1.00 0.00 C ATOM 2135 CD1 LEU B 141 4.103 -3.621 -8.089 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.933 -4.359 -6.038 1.00 0.00 C ATOM 0 H LEU B 141 0.936 -5.134 -9.547 1.00 0.00 H new ATOM 0 HA LEU B 141 0.091 -4.507 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.836 -2.974 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.635 -2.488 -7.294 1.00 0.00 H new ATOM 0 HG LEU B 141 2.651 -5.247 -7.969 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.954 -4.245 -7.815 1.00 0.00 H new ATOM 0 HD12 LEU B 141 4.048 -3.540 -9.175 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.227 -2.628 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.773 -5.005 -5.783 1.00 0.00 H new ATOM 0 HD22 LEU B 141 3.095 -3.368 -5.614 1.00 0.00 H new ATOM 0 HD23 LEU B 141 2.014 -4.782 -5.631 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.674 -2.154 -9.256 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.504 -1.004 -9.589 1.00 0.00 C ATOM 2150 C LEU B 142 -2.993 -1.367 -9.572 1.00 0.00 C ATOM 2151 O LEU B 142 -3.779 -0.622 -8.993 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.049 -0.356 -10.906 1.00 0.00 C ATOM 2153 CG LEU B 142 0.472 -0.133 -11.080 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.686 0.899 -12.186 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.207 0.387 -9.840 1.00 0.00 C ATOM 0 H LEU B 142 0.008 -2.378 -9.981 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.372 -0.247 -8.816 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.398 -0.978 -11.730 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.548 0.609 -11.001 1.00 0.00 H new ATOM 0 HG LEU B 142 0.883 -1.118 -11.304 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.754 1.069 -12.323 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.255 0.530 -13.117 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.202 1.835 -11.909 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.266 0.509 -10.069 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.787 1.348 -9.544 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.092 -0.326 -9.023 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.381 -2.522 -10.135 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.766 -3.041 -10.088 1.00 0.00 C ATOM 2169 C ARG B 143 -5.250 -3.181 -8.639 1.00 0.00 C ATOM 2170 O ARG B 143 -6.324 -2.682 -8.298 1.00 0.00 O ATOM 2171 CB ARG B 143 -4.881 -4.382 -10.833 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.604 -4.260 -12.341 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.772 -5.611 -13.049 1.00 0.00 C ATOM 2174 NE ARG B 143 -6.192 -6.011 -13.137 1.00 0.00 N ATOM 2175 CZ ARG B 143 -6.704 -7.230 -13.104 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -5.983 -8.305 -12.944 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -7.989 -7.396 -13.236 1.00 0.00 N ATOM 0 H ARG B 143 -2.739 -3.131 -10.642 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.409 -2.320 -10.593 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.180 -5.094 -10.397 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.882 -4.788 -10.685 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.284 -3.530 -12.780 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.592 -3.888 -12.498 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.348 -5.551 -14.051 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -4.212 -6.376 -12.511 1.00 0.00 H new ATOM 0 HE ARG B 143 -6.863 -5.249 -13.236 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.971 -8.229 -12.837 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -6.431 -9.221 -12.926 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -8.597 -6.587 -13.364 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -8.387 -8.335 -13.211 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.456 -3.832 -7.786 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.729 -4.010 -6.361 1.00 0.00 C ATOM 2193 C ALA B 144 -4.847 -2.655 -5.621 1.00 0.00 C ATOM 2194 O ALA B 144 -5.746 -2.498 -4.795 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.669 -4.939 -5.753 1.00 0.00 C ATOM 0 H ALA B 144 -3.579 -4.262 -8.078 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.702 -4.486 -6.239 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -3.870 -5.074 -4.690 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.702 -5.906 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.681 -4.497 -5.882 1.00 0.00 H new ATOM 2201 N LEU B 145 -3.983 -1.671 -5.907 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.032 -0.319 -5.321 1.00 0.00 C ATOM 2203 C LEU B 145 -5.255 0.492 -5.783 1.00 0.00 C ATOM 2204 O LEU B 145 -5.848 1.229 -4.999 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.777 0.501 -5.678 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.427 -0.027 -5.177 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.327 0.954 -5.540 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.374 -0.228 -3.669 1.00 0.00 C ATOM 0 H LEU B 145 -3.214 -1.793 -6.566 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.093 -0.484 -4.245 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.725 0.583 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.911 1.510 -5.288 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.291 -0.996 -5.657 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.631 0.576 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.289 1.073 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.532 1.919 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.390 -0.603 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.558 0.723 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.136 -0.948 -3.371 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.602 0.425 -7.068 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.679 1.201 -7.689 1.00 0.00 C ATOM 2222 C ASP B 146 -8.058 1.003 -7.045 1.00 0.00 C ATOM 2223 O ASP B 146 -8.811 1.969 -6.924 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.723 0.917 -9.198 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.448 2.032 -9.955 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -6.840 3.124 -10.087 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.584 1.826 -10.437 1.00 0.00 O ATOM 0 H ASP B 146 -5.127 -0.190 -7.728 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.440 2.250 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.707 0.816 -9.581 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.227 -0.033 -9.376 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.391 -0.223 -6.625 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.686 -0.603 -6.030 1.00 0.00 C ATOM 2234 C GLN B 147 -10.178 0.262 -4.846 1.00 0.00 C ATOM 2235 O GLN B 147 -11.364 0.216 -4.513 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.682 -2.106 -5.688 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.094 -2.429 -4.306 1.00 0.00 C ATOM 2238 CD GLN B 147 -8.928 -3.933 -4.093 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.888 -4.687 -3.975 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.711 -4.429 -4.038 1.00 0.00 N ATOM 0 H GLN B 147 -7.745 -1.010 -6.691 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.428 -0.394 -6.801 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.704 -2.482 -5.734 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.112 -2.640 -6.448 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.126 -1.939 -4.200 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.744 -2.022 -3.531 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -6.904 -3.813 -4.135 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.574 -5.430 -3.899 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.298 1.044 -4.204 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.626 1.951 -3.089 1.00 0.00 C ATOM 2251 C VAL B 148 -10.635 3.038 -3.512 1.00 0.00 C ATOM 2252 O VAL B 148 -11.507 3.400 -2.718 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.361 2.623 -2.501 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.657 3.386 -1.200 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.246 1.644 -2.117 1.00 0.00 C ATOM 0 H VAL B 148 -8.309 1.065 -4.452 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.082 1.331 -2.318 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.042 3.276 -3.313 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.739 3.839 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.393 4.166 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.049 2.695 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.398 2.198 -1.714 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.616 0.948 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -6.930 1.088 -3.000 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.514 3.582 -4.737 1.00 0.00 N ATOM 2266 CA ASN B 149 -11.361 4.682 -5.240 1.00 0.00 C ATOM 2267 C ASN B 149 -12.862 4.313 -5.359 1.00 0.00 C ATOM 2268 O ASN B 149 -13.708 5.185 -5.065 1.00 0.00 O ATOM 2269 CB ASN B 149 -10.813 5.260 -6.572 1.00 0.00 C ATOM 2270 CG ASN B 149 -11.299 4.594 -7.860 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -12.161 5.105 -8.562 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -10.754 3.465 -8.251 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.183 3.176 -5.776 1.00 0.00 O ATOM 0 H ASN B 149 -9.818 3.268 -5.413 1.00 0.00 H new ATOM 0 HA ASN B 149 -11.308 5.462 -4.481 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -11.073 6.318 -6.617 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -9.725 5.200 -6.547 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -11.051 3.031 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -10.034 3.022 -7.681 1.00 0.00 H new