USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 903 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 70 HIS : no HD1:sc= -3.49! C(o=-3.7!,f=-7.5!) USER MOD Set 1.2: A 74 CYS SG : rot 170:sc= -0.161! USER MOD Set 2.1: A 62 GLN : amide:sc= -1.38! K(o=-1.3!,f=0.39) USER MOD Set 2.2: B 12 SER OG : rot 180:sc= 0.0507 USER MOD Set 3.1: A 46 THR OG1 : rot 170:sc= -5.38! USER MOD Set 3.2: A 60 CYS SG : rot -29:sc= -7.07! USER MOD Set 4.1: A 45 HIS : no HD1:sc= -1.78 K(o=-3.4,f=0.077) USER MOD Set 4.2: A 49 CYS SG : rot 89:sc= -0.414 USER MOD Set 4.3: A 57 CYS SG : rot 160:sc= -1.25 USER MOD Set 5.1: A 22 HIS : no HD1:sc= -0.748 K(o=-2.2,f=0.57) USER MOD Set 5.2: A 26 CYS SG : rot -153:sc= 0.32 USER MOD Set 5.3: A 31 CYS SG : rot 180:sc= -0.0737 USER MOD Set 5.4: A 36 CYS SG : rot 50:sc= -1.74 USER MOD Set 6.1: A 14 GLN : amide:sc= 0 X(o=-0.33,f=-0.096) USER MOD Set 6.2: A 18 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.096) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0.48) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -145:sc= 1.04 USER MOD Single : A 19 SER OG : rot 80:sc= -0.613! USER MOD Single : A 25 GLN : amide:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -1.84! USER MOD Single : A 37 GLN : amide:sc= -1.07! C(o=-1.1!,f=-7.7!) USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= -2.21! (180deg=-2.23!) USER MOD Single : A 39 MET CE :methyl 176:sc= -6.42! (180deg=-6.64!) USER MOD Single : A 40 LYS NZ :NH3+ 135:sc= 0.735 (180deg=-2.32!) USER MOD Single : A 44 GLN : amide:sc= -0.959 K(o=-0.96,f=-0.014) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0279) USER MOD Single : A 52 LYS NZ :NH3+ -170:sc= 0.362 (180deg=0.27) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.591 K(o=0.59,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 50:sc= -3.02! USER MOD Single : A 72 LYS NZ :NH3+ -115:sc= -0.0242 (180deg=-1.28!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0.15 X(o=0.15,f=-0.27) USER MOD Single : A 77 ASN : amide:sc= -0.0605 K(o=-0.06,f=-1.2) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -19:sc= 0.132 USER MOD Single : A 84 CYS SG : rot -119:sc= -6.09! USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -165:sc= -1.72! (180deg=-2.19!) USER MOD Single : A 89 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.2) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 LEU N :NH3+ -173:sc= 0 (180deg=-0.0517) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -2.4 X(o=-2.4,f=-2.2) USER MOD Single : B 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 MET CE :methyl 169:sc= -0.345 (180deg=-0.499) USER MOD Single : B 18 GLN : amide:sc= 0.352 K(o=0.35,f=-0.71) USER MOD Single : B 21 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 22.894 -12.077 1.906 1.00 0.00 N ATOM 2 CA ALA A 1 21.644 -11.840 2.617 1.00 0.00 C ATOM 3 C ALA A 1 20.921 -10.684 1.955 1.00 0.00 C ATOM 4 O ALA A 1 21.401 -9.555 1.972 1.00 0.00 O ATOM 5 CB ALA A 1 21.922 -11.538 4.084 1.00 0.00 C ATOM 0 H1 ALA A 1 23.401 -12.869 2.350 1.00 0.00 H new ATOM 0 H2 ALA A 1 22.690 -12.310 0.913 1.00 0.00 H new ATOM 0 H3 ALA A 1 23.484 -11.222 1.947 1.00 0.00 H new ATOM 0 HA ALA A 1 21.016 -12.730 2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.980 -11.363 4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 1 22.436 -12.385 4.539 1.00 0.00 H new ATOM 0 HB3 ALA A 1 22.549 -10.650 4.160 1.00 0.00 H new ATOM 13 N THR A 2 19.804 -10.961 1.317 1.00 0.00 N ATOM 14 CA THR A 2 19.072 -9.934 0.608 1.00 0.00 C ATOM 15 C THR A 2 17.571 -10.270 0.492 1.00 0.00 C ATOM 16 O THR A 2 16.731 -9.375 0.489 1.00 0.00 O ATOM 17 CB THR A 2 19.611 -9.792 -0.840 1.00 0.00 C ATOM 18 OG1 THR A 2 21.050 -9.705 -0.842 1.00 0.00 O ATOM 19 CG2 THR A 2 19.053 -8.548 -1.517 1.00 0.00 C ATOM 0 H THR A 2 19.383 -11.889 1.275 1.00 0.00 H new ATOM 0 HA THR A 2 19.204 -9.014 1.178 1.00 0.00 H new ATOM 0 HB THR A 2 19.291 -10.678 -1.389 1.00 0.00 H new ATOM 0 HG1 THR A 2 21.371 -9.617 -1.764 1.00 0.00 H new ATOM 0 HG21 THR A 2 19.449 -8.476 -2.530 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.966 -8.612 -1.556 1.00 0.00 H new ATOM 0 HG23 THR A 2 19.344 -7.664 -0.950 1.00 0.00 H new ATOM 27 N GLN A 3 17.213 -11.543 0.450 1.00 0.00 N ATOM 28 CA GLN A 3 15.909 -11.899 0.050 1.00 0.00 C ATOM 29 C GLN A 3 15.492 -13.131 0.828 1.00 0.00 C ATOM 30 O GLN A 3 14.831 -14.017 0.298 1.00 0.00 O ATOM 31 CB GLN A 3 15.917 -12.156 -1.501 1.00 0.00 C ATOM 32 CG GLN A 3 15.751 -10.897 -2.365 1.00 0.00 C ATOM 33 CD GLN A 3 16.150 -11.139 -3.816 1.00 0.00 C ATOM 34 OE1 GLN A 3 15.331 -11.479 -4.671 1.00 0.00 O ATOM 35 NE2 GLN A 3 17.412 -10.995 -4.106 1.00 0.00 N ATOM 0 H GLN A 3 17.821 -12.326 0.691 1.00 0.00 H new ATOM 0 HA GLN A 3 15.191 -11.106 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 3 16.855 -12.642 -1.769 1.00 0.00 H new ATOM 0 HB3 GLN A 3 15.115 -12.854 -1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 3 14.713 -10.565 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN A 3 16.359 -10.092 -1.952 1.00 0.00 H new ATOM 0 HE21 GLN A 3 18.073 -10.713 -3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 3 17.739 -11.165 -5.057 1.00 0.00 H new ATOM 44 N SER A 4 15.840 -13.197 2.107 1.00 0.00 N ATOM 45 CA SER A 4 15.527 -14.432 2.814 1.00 0.00 C ATOM 46 C SER A 4 14.420 -14.397 3.874 1.00 0.00 C ATOM 47 O SER A 4 13.490 -15.192 3.821 1.00 0.00 O ATOM 48 CB SER A 4 16.701 -15.288 3.153 1.00 0.00 C ATOM 49 OG SER A 4 17.511 -15.511 2.003 1.00 0.00 O ATOM 0 H SER A 4 16.306 -12.467 2.646 1.00 0.00 H new ATOM 0 HA SER A 4 15.015 -14.975 2.020 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.293 -14.810 3.933 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.358 -16.242 3.553 1.00 0.00 H new ATOM 0 HG SER A 4 18.276 -16.073 2.246 1.00 0.00 H new ATOM 55 N PRO A 5 14.452 -13.614 4.960 1.00 0.00 N ATOM 56 CA PRO A 5 13.260 -13.527 5.800 1.00 0.00 C ATOM 57 C PRO A 5 12.387 -12.614 5.015 1.00 0.00 C ATOM 58 O PRO A 5 11.165 -12.696 5.062 1.00 0.00 O ATOM 59 CB PRO A 5 13.740 -12.867 7.106 1.00 0.00 C ATOM 60 CG PRO A 5 15.237 -13.190 7.160 1.00 0.00 C ATOM 61 CD PRO A 5 15.662 -13.198 5.687 1.00 0.00 C ATOM 0 HA PRO A 5 12.748 -14.458 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.564 -11.791 7.097 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.214 -13.268 7.972 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.787 -12.442 7.731 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.422 -14.154 7.635 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.000 -12.213 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.487 -13.890 5.515 1.00 0.00 H new ATOM 69 N GLY A 6 13.134 -11.778 4.277 1.00 0.00 N ATOM 70 CA GLY A 6 12.763 -10.729 3.402 1.00 0.00 C ATOM 71 C GLY A 6 12.356 -10.878 1.985 1.00 0.00 C ATOM 72 O GLY A 6 11.816 -9.879 1.594 1.00 0.00 O ATOM 0 H GLY A 6 14.150 -11.862 4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.937 -10.215 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 6 13.607 -10.040 3.394 1.00 0.00 H new ATOM 76 N ASP A 7 12.455 -11.939 1.111 1.00 0.00 N ATOM 77 CA ASP A 7 11.988 -11.717 -0.195 1.00 0.00 C ATOM 78 C ASP A 7 10.517 -11.884 0.035 1.00 0.00 C ATOM 79 O ASP A 7 9.763 -11.003 -0.151 1.00 0.00 O ATOM 80 CB ASP A 7 12.421 -12.832 -1.097 1.00 0.00 C ATOM 81 CG ASP A 7 12.085 -12.711 -2.558 1.00 0.00 C ATOM 82 OD1 ASP A 7 12.721 -11.912 -3.275 1.00 0.00 O ATOM 83 OD2 ASP A 7 11.209 -13.478 -3.023 1.00 0.00 O ATOM 0 H ASP A 7 12.831 -12.865 1.316 1.00 0.00 H new ATOM 0 HA ASP A 7 12.321 -10.779 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A 7 13.502 -12.937 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.979 -13.757 -0.725 1.00 0.00 H new ATOM 88 N SER A 8 10.182 -12.933 0.686 1.00 0.00 N ATOM 89 CA SER A 8 8.862 -13.155 0.860 1.00 0.00 C ATOM 90 C SER A 8 8.167 -12.111 1.854 1.00 0.00 C ATOM 91 O SER A 8 7.028 -11.779 1.639 1.00 0.00 O ATOM 92 CB SER A 8 8.542 -14.597 1.089 1.00 0.00 C ATOM 93 OG SER A 8 9.079 -15.385 0.025 1.00 0.00 O ATOM 0 H SER A 8 10.817 -13.622 1.089 1.00 0.00 H new ATOM 0 HA SER A 8 8.376 -12.937 -0.091 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.957 -14.925 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 8 7.462 -14.735 1.147 1.00 0.00 H new ATOM 0 HG SER A 8 8.869 -16.330 0.179 1.00 0.00 H new ATOM 99 N ARG A 9 8.901 -11.551 2.907 1.00 0.00 N ATOM 100 CA ARG A 9 8.360 -10.480 3.697 1.00 0.00 C ATOM 101 C ARG A 9 8.168 -9.247 2.771 1.00 0.00 C ATOM 102 O ARG A 9 7.069 -8.721 2.633 1.00 0.00 O ATOM 103 CB ARG A 9 9.370 -10.076 4.770 1.00 0.00 C ATOM 104 CG ARG A 9 8.791 -9.438 5.948 1.00 0.00 C ATOM 105 CD ARG A 9 7.938 -10.424 6.747 1.00 0.00 C ATOM 106 NE ARG A 9 8.700 -11.646 7.089 1.00 0.00 N ATOM 107 CZ ARG A 9 8.180 -12.779 7.584 1.00 0.00 C ATOM 108 NH1 ARG A 9 6.893 -12.839 7.928 1.00 0.00 N ATOM 109 NH2 ARG A 9 8.961 -13.848 7.756 1.00 0.00 N ATOM 0 H ARG A 9 9.837 -11.851 3.179 1.00 0.00 H new ATOM 0 HA ARG A 9 7.423 -10.800 4.152 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.916 -10.964 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.097 -9.396 4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.587 -9.046 6.581 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.180 -8.589 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.586 -9.945 7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.055 -10.695 6.169 1.00 0.00 H new ATOM 0 HE ARG A 9 9.708 -11.625 6.935 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.296 -12.019 7.815 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.505 -13.704 8.304 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.950 -13.802 7.511 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.569 -14.711 8.132 1.00 0.00 H new ATOM 123 N ARG A 10 9.270 -8.847 2.086 1.00 0.00 N ATOM 124 CA ARG A 10 9.303 -7.645 1.247 1.00 0.00 C ATOM 125 C ARG A 10 8.382 -7.709 0.110 1.00 0.00 C ATOM 126 O ARG A 10 7.665 -6.796 -0.136 1.00 0.00 O ATOM 127 CB ARG A 10 10.626 -7.448 0.666 1.00 0.00 C ATOM 128 CG ARG A 10 11.650 -6.928 1.582 1.00 0.00 C ATOM 129 CD ARG A 10 12.872 -6.888 0.797 1.00 0.00 C ATOM 130 NE ARG A 10 13.973 -6.191 1.480 1.00 0.00 N ATOM 131 CZ ARG A 10 15.265 -6.178 1.109 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.657 -6.779 -0.014 1.00 0.00 N ATOM 133 NH2 ARG A 10 16.149 -5.523 1.856 1.00 0.00 N ATOM 0 H ARG A 10 10.154 -9.355 2.107 1.00 0.00 H new ATOM 0 HA ARG A 10 9.018 -6.834 1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.973 -8.400 0.265 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.535 -6.762 -0.176 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.384 -5.937 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.762 -7.572 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.182 -7.907 0.566 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.671 -6.393 -0.153 1.00 0.00 H new ATOM 0 HE ARG A 10 13.732 -5.665 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.974 -7.256 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.640 -6.762 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.844 -5.038 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.132 -5.506 1.585 1.00 0.00 H new ATOM 147 N LEU A 11 8.443 -8.791 -0.607 1.00 0.00 N ATOM 148 CA LEU A 11 7.635 -9.006 -1.757 1.00 0.00 C ATOM 149 C LEU A 11 6.248 -9.099 -1.412 1.00 0.00 C ATOM 150 O LEU A 11 5.422 -8.672 -2.160 1.00 0.00 O ATOM 151 CB LEU A 11 8.085 -10.163 -2.579 1.00 0.00 C ATOM 152 CG LEU A 11 9.410 -9.909 -3.343 1.00 0.00 C ATOM 153 CD1 LEU A 11 10.648 -9.850 -2.517 1.00 0.00 C ATOM 154 CD2 LEU A 11 9.512 -10.686 -4.592 1.00 0.00 C ATOM 0 H LEU A 11 9.074 -9.565 -0.398 1.00 0.00 H new ATOM 0 HA LEU A 11 7.759 -8.127 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.210 -11.030 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.304 -10.412 -3.297 1.00 0.00 H new ATOM 0 HG LEU A 11 9.337 -8.870 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.508 -9.668 -3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.562 -9.042 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.781 -10.797 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.461 -10.465 -5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.460 -11.751 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.690 -10.417 -5.256 1.00 0.00 H new ATOM 166 N SER A 12 5.984 -9.553 -0.230 1.00 0.00 N ATOM 167 CA SER A 12 4.611 -9.622 0.198 1.00 0.00 C ATOM 168 C SER A 12 4.067 -8.170 0.387 1.00 0.00 C ATOM 169 O SER A 12 2.921 -7.862 0.047 1.00 0.00 O ATOM 170 CB SER A 12 4.446 -10.475 1.455 1.00 0.00 C ATOM 171 OG SER A 12 3.099 -10.883 1.637 1.00 0.00 O ATOM 0 H SER A 12 6.676 -9.876 0.447 1.00 0.00 H new ATOM 0 HA SER A 12 4.020 -10.120 -0.570 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.087 -11.354 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 12 4.776 -9.908 2.326 1.00 0.00 H new ATOM 0 HG SER A 12 2.889 -10.902 2.594 1.00 0.00 H new ATOM 177 N ILE A 13 4.932 -7.273 0.847 1.00 0.00 N ATOM 178 CA ILE A 13 4.544 -5.840 0.951 1.00 0.00 C ATOM 179 C ILE A 13 4.689 -5.106 -0.324 1.00 0.00 C ATOM 180 O ILE A 13 4.047 -4.112 -0.530 1.00 0.00 O ATOM 181 CB ILE A 13 5.188 -4.975 1.991 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.315 -5.621 2.586 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.179 -4.487 3.015 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.155 -4.703 3.320 1.00 0.00 C ATOM 0 H ILE A 13 5.882 -7.486 1.150 1.00 0.00 H new ATOM 0 HA ILE A 13 3.510 -5.986 1.263 1.00 0.00 H new ATOM 0 HB ILE A 13 5.572 -4.085 1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.967 -6.406 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.905 -6.105 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.683 -3.863 3.753 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.405 -3.905 2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.724 -5.343 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.996 -5.245 3.752 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.528 -3.932 2.645 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.576 -4.238 4.117 1.00 0.00 H new ATOM 196 N GLN A 14 5.626 -5.489 -1.106 1.00 0.00 N ATOM 197 CA GLN A 14 5.741 -5.033 -2.453 1.00 0.00 C ATOM 198 C GLN A 14 4.399 -5.267 -3.145 1.00 0.00 C ATOM 199 O GLN A 14 3.957 -4.462 -3.885 1.00 0.00 O ATOM 200 CB GLN A 14 6.818 -5.819 -3.162 1.00 0.00 C ATOM 201 CG GLN A 14 7.312 -5.173 -4.383 1.00 0.00 C ATOM 202 CD GLN A 14 8.295 -6.042 -5.126 1.00 0.00 C ATOM 203 OE1 GLN A 14 7.915 -6.825 -5.993 1.00 0.00 O ATOM 204 NE2 GLN A 14 9.550 -5.927 -4.794 1.00 0.00 N ATOM 0 H GLN A 14 6.356 -6.144 -0.828 1.00 0.00 H new ATOM 0 HA GLN A 14 6.003 -3.975 -2.476 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.653 -5.972 -2.479 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.429 -6.805 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.470 -4.939 -5.035 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.788 -4.227 -4.125 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.827 -5.265 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.255 -6.499 -5.259 1.00 0.00 H new ATOM 213 N ARG A 15 3.785 -6.398 -2.835 1.00 0.00 N ATOM 214 CA ARG A 15 2.425 -6.781 -3.285 1.00 0.00 C ATOM 215 C ARG A 15 1.349 -5.998 -2.620 1.00 0.00 C ATOM 216 O ARG A 15 0.289 -5.794 -3.162 1.00 0.00 O ATOM 217 CB ARG A 15 2.204 -8.187 -2.983 1.00 0.00 C ATOM 218 CG ARG A 15 3.145 -9.038 -3.797 1.00 0.00 C ATOM 219 CD ARG A 15 2.766 -10.465 -3.728 1.00 0.00 C ATOM 220 NE ARG A 15 3.776 -11.317 -4.364 1.00 0.00 N ATOM 221 CZ ARG A 15 3.779 -12.654 -4.370 1.00 0.00 C ATOM 222 NH1 ARG A 15 2.738 -13.333 -3.894 1.00 0.00 N ATOM 223 NH2 ARG A 15 4.820 -13.306 -4.886 1.00 0.00 N ATOM 0 H ARG A 15 4.220 -7.108 -2.245 1.00 0.00 H new ATOM 0 HA ARG A 15 2.378 -6.578 -4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.362 -8.369 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.171 -8.458 -3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.135 -8.706 -4.835 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.164 -8.911 -3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.642 -10.760 -2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.803 -10.612 -4.218 1.00 0.00 H new ATOM 0 HE ARG A 15 4.544 -10.848 -4.844 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.931 -12.833 -3.521 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.748 -14.353 -3.902 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.607 -12.785 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.830 -14.326 -4.894 1.00 0.00 H new ATOM 237 N ALA A 16 1.634 -5.611 -1.456 1.00 0.00 N ATOM 238 CA ALA A 16 0.813 -4.794 -0.634 1.00 0.00 C ATOM 239 C ALA A 16 0.776 -3.447 -1.244 1.00 0.00 C ATOM 240 O ALA A 16 -0.263 -2.894 -1.436 1.00 0.00 O ATOM 241 CB ALA A 16 1.389 -4.848 0.757 1.00 0.00 C ATOM 0 H ALA A 16 2.511 -5.867 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.223 -5.126 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.787 -4.232 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.385 -5.878 1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.412 -4.473 0.742 1.00 0.00 H new ATOM 247 N ILE A 17 1.924 -2.979 -1.598 1.00 0.00 N ATOM 248 CA ILE A 17 2.079 -1.826 -2.396 1.00 0.00 C ATOM 249 C ILE A 17 1.481 -2.024 -3.761 1.00 0.00 C ATOM 250 O ILE A 17 0.792 -1.232 -4.169 1.00 0.00 O ATOM 251 CB ILE A 17 3.496 -1.483 -2.617 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.149 -1.038 -1.420 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.581 -0.410 -3.603 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.555 -0.946 -1.598 1.00 0.00 C ATOM 0 H ILE A 17 2.808 -3.409 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 17 1.575 -1.029 -1.849 1.00 0.00 H new ATOM 0 HB ILE A 17 3.995 -2.389 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.754 -0.065 -1.129 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.929 -1.728 -0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.627 -0.152 -3.771 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.134 -0.741 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.046 0.465 -3.235 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.018 -0.606 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.953 -1.925 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.775 -0.236 -2.395 1.00 0.00 H new ATOM 266 N GLN A 18 1.834 -3.085 -4.478 1.00 0.00 N ATOM 267 CA GLN A 18 1.293 -3.335 -5.816 1.00 0.00 C ATOM 268 C GLN A 18 -0.174 -3.329 -5.777 1.00 0.00 C ATOM 269 O GLN A 18 -0.790 -2.815 -6.675 1.00 0.00 O ATOM 270 CB GLN A 18 1.767 -4.651 -6.380 1.00 0.00 C ATOM 271 CG GLN A 18 3.221 -4.664 -6.816 1.00 0.00 C ATOM 272 CD GLN A 18 3.705 -6.052 -7.171 1.00 0.00 C ATOM 273 OE1 GLN A 18 2.926 -6.909 -7.591 1.00 0.00 O ATOM 274 NE2 GLN A 18 4.990 -6.281 -7.036 1.00 0.00 N ATOM 0 H GLN A 18 2.496 -3.791 -4.156 1.00 0.00 H new ATOM 0 HA GLN A 18 1.655 -2.536 -6.464 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.619 -5.427 -5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.143 -4.911 -7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.345 -4.008 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.841 -4.260 -6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.605 -5.547 -6.685 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.374 -7.193 -7.282 1.00 0.00 H new ATOM 283 N SER A 19 -0.740 -3.859 -4.717 1.00 0.00 N ATOM 284 CA SER A 19 -2.135 -3.795 -4.582 1.00 0.00 C ATOM 285 C SER A 19 -2.546 -2.440 -4.289 1.00 0.00 C ATOM 286 O SER A 19 -3.433 -1.961 -4.897 1.00 0.00 O ATOM 287 CB SER A 19 -2.662 -4.735 -3.578 1.00 0.00 C ATOM 288 OG SER A 19 -2.329 -6.047 -3.941 1.00 0.00 O ATOM 0 H SER A 19 -0.245 -4.328 -3.958 1.00 0.00 H new ATOM 0 HA SER A 19 -2.562 -4.102 -5.537 1.00 0.00 H new ATOM 0 HB2 SER A 19 -2.249 -4.503 -2.596 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.744 -4.632 -3.501 1.00 0.00 H new ATOM 0 HG SER A 19 -1.400 -6.230 -3.690 1.00 0.00 H new ATOM 294 N LEU A 20 -1.855 -1.816 -3.407 1.00 0.00 N ATOM 295 CA LEU A 20 -2.118 -0.517 -3.018 1.00 0.00 C ATOM 296 C LEU A 20 -2.005 0.495 -4.182 1.00 0.00 C ATOM 297 O LEU A 20 -2.845 1.363 -4.354 1.00 0.00 O ATOM 298 CB LEU A 20 -1.186 -0.140 -1.946 1.00 0.00 C ATOM 299 CG LEU A 20 -1.603 0.952 -1.283 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.445 0.518 -0.158 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.510 1.815 -0.993 1.00 0.00 C ATOM 0 H LEU A 20 -1.058 -2.233 -2.926 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.150 -0.483 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.080 -0.970 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.200 0.047 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.247 1.590 -1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.794 1.391 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.302 -0.037 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.864 -0.122 0.506 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.871 2.692 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.217 1.287 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.037 2.129 -1.924 1.00 0.00 H new ATOM 313 N VAL A 21 -0.961 0.352 -4.926 1.00 0.00 N ATOM 314 CA VAL A 21 -0.642 1.095 -6.076 1.00 0.00 C ATOM 315 C VAL A 21 -1.704 0.896 -7.097 1.00 0.00 C ATOM 316 O VAL A 21 -2.173 1.822 -7.701 1.00 0.00 O ATOM 317 CB VAL A 21 0.729 0.646 -6.686 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.744 1.016 -8.116 1.00 0.00 C ATOM 319 CG2 VAL A 21 1.922 1.257 -5.932 1.00 0.00 C ATOM 0 H VAL A 21 -0.253 -0.353 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.569 2.144 -5.790 1.00 0.00 H new ATOM 0 HB VAL A 21 0.832 -0.434 -6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.692 0.712 -8.561 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.076 0.514 -8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.627 2.095 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.852 0.919 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.867 2.344 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.894 0.941 -4.889 1.00 0.00 H new ATOM 329 N HIS A 22 -2.041 -0.325 -7.279 1.00 0.00 N ATOM 330 CA HIS A 22 -3.063 -0.726 -8.207 1.00 0.00 C ATOM 331 C HIS A 22 -4.314 -0.175 -7.763 1.00 0.00 C ATOM 332 O HIS A 22 -4.984 0.338 -8.487 1.00 0.00 O ATOM 333 CB HIS A 22 -3.145 -2.206 -8.238 1.00 0.00 C ATOM 334 CG HIS A 22 -4.132 -2.815 -9.204 1.00 0.00 C ATOM 335 ND1 HIS A 22 -3.891 -2.959 -10.548 1.00 0.00 N ATOM 336 CD2 HIS A 22 -5.350 -3.342 -8.997 1.00 0.00 C ATOM 337 CE1 HIS A 22 -4.909 -3.542 -11.118 1.00 0.00 C ATOM 338 NE2 HIS A 22 -5.815 -3.792 -10.201 1.00 0.00 N ATOM 0 H HIS A 22 -1.611 -1.104 -6.780 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.832 -0.365 -9.209 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -2.155 -2.596 -8.474 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.394 -2.553 -7.235 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.868 -3.400 -8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.993 -3.779 -12.168 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.715 -4.246 -10.360 1.00 0.00 H new ATOM 347 N ALA A 23 -4.550 -0.243 -6.546 1.00 0.00 N ATOM 348 CA ALA A 23 -5.739 0.231 -5.961 1.00 0.00 C ATOM 349 C ALA A 23 -5.828 1.784 -6.110 1.00 0.00 C ATOM 350 O ALA A 23 -6.907 2.354 -6.243 1.00 0.00 O ATOM 351 CB ALA A 23 -5.735 -0.282 -4.520 1.00 0.00 C ATOM 0 H ALA A 23 -3.898 -0.649 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.640 -0.136 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.638 0.055 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.705 -1.372 -4.522 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.859 0.104 -3.999 1.00 0.00 H new ATOM 357 N ALA A 24 -4.686 2.421 -6.152 1.00 0.00 N ATOM 358 CA ALA A 24 -4.579 3.831 -6.410 1.00 0.00 C ATOM 359 C ALA A 24 -4.824 4.108 -7.872 1.00 0.00 C ATOM 360 O ALA A 24 -5.633 4.954 -8.258 1.00 0.00 O ATOM 361 CB ALA A 24 -3.165 4.221 -6.118 1.00 0.00 C ATOM 0 H ALA A 24 -3.787 1.963 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.301 4.378 -5.804 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.037 5.288 -6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.935 4.001 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.491 3.659 -6.765 1.00 0.00 H new ATOM 367 N GLN A 25 -4.143 3.341 -8.661 1.00 0.00 N ATOM 368 CA GLN A 25 -4.049 3.530 -10.062 1.00 0.00 C ATOM 369 C GLN A 25 -5.261 2.962 -10.792 1.00 0.00 C ATOM 370 O GLN A 25 -5.636 3.417 -11.883 1.00 0.00 O ATOM 371 CB GLN A 25 -2.851 2.754 -10.540 1.00 0.00 C ATOM 372 CG GLN A 25 -2.515 3.016 -11.949 1.00 0.00 C ATOM 373 CD GLN A 25 -1.593 1.982 -12.583 1.00 0.00 C ATOM 374 OE1 GLN A 25 -1.718 1.708 -13.772 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.600 1.468 -11.877 1.00 0.00 N ATOM 0 H GLN A 25 -3.617 2.533 -8.327 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.981 4.599 -10.263 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.992 3.003 -9.916 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.041 1.689 -10.411 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.438 3.063 -12.526 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.044 3.996 -12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.503 1.701 -10.889 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.069 0.839 -12.321 1.00 0.00 H new ATOM 384 N CYS A 26 -5.859 1.986 -10.198 1.00 0.00 N ATOM 385 CA CYS A 26 -6.994 1.352 -10.731 1.00 0.00 C ATOM 386 C CYS A 26 -8.119 2.236 -10.324 1.00 0.00 C ATOM 387 O CYS A 26 -8.316 2.438 -9.129 1.00 0.00 O ATOM 388 CB CYS A 26 -7.180 -0.074 -10.091 1.00 0.00 C ATOM 389 SG CYS A 26 -8.655 -0.989 -10.594 1.00 0.00 S ATOM 0 H CYS A 26 -5.555 1.604 -9.303 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.926 1.210 -11.810 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.304 -0.676 -10.335 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.199 0.037 -9.007 1.00 0.00 H new ATOM 0 HG CYS A 26 -9.001 -1.810 -9.647 1.00 0.00 H new ATOM 395 N ARG A 27 -8.876 2.774 -11.219 1.00 0.00 N ATOM 396 CA ARG A 27 -9.860 3.662 -10.731 1.00 0.00 C ATOM 397 C ARG A 27 -11.167 3.326 -11.297 1.00 0.00 C ATOM 398 O ARG A 27 -11.624 3.766 -12.344 1.00 0.00 O ATOM 399 CB ARG A 27 -9.399 5.158 -10.802 1.00 0.00 C ATOM 400 CG ARG A 27 -8.822 5.624 -12.143 1.00 0.00 C ATOM 401 CD ARG A 27 -9.903 6.043 -13.098 1.00 0.00 C ATOM 402 NE ARG A 27 -10.543 7.290 -12.659 1.00 0.00 N ATOM 403 CZ ARG A 27 -11.855 7.481 -12.492 1.00 0.00 C ATOM 404 NH1 ARG A 27 -12.708 6.469 -12.649 1.00 0.00 N ATOM 405 NH2 ARG A 27 -12.304 8.683 -12.147 1.00 0.00 N ATOM 0 H ARG A 27 -8.837 2.626 -12.227 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.995 3.529 -9.658 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.252 5.791 -10.557 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.647 5.322 -10.030 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.141 6.458 -11.976 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.237 4.819 -12.587 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.480 6.179 -14.094 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.651 5.254 -13.174 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.930 8.082 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -12.360 5.543 -12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -13.708 6.621 -12.520 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.649 9.453 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.304 8.836 -12.018 1.00 0.00 H new ATOM 419 N ASN A 28 -11.663 2.396 -10.616 1.00 0.00 N ATOM 420 CA ASN A 28 -12.913 1.830 -10.755 1.00 0.00 C ATOM 421 C ASN A 28 -13.300 1.458 -9.345 1.00 0.00 C ATOM 422 O ASN A 28 -12.583 0.643 -8.759 1.00 0.00 O ATOM 423 CB ASN A 28 -12.653 0.609 -11.537 1.00 0.00 C ATOM 424 CG ASN A 28 -13.840 -0.033 -12.109 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.958 0.106 -11.608 1.00 0.00 O ATOM 426 ND2 ASN A 28 -13.612 -0.792 -13.120 1.00 0.00 N ATOM 0 H ASN A 28 -11.137 1.963 -9.857 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.680 2.447 -11.223 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.967 0.856 -12.348 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.144 -0.111 -10.897 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.376 -1.316 -13.547 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.667 -0.871 -13.496 1.00 0.00 H new ATOM 433 N ALA A 29 -14.308 2.002 -8.750 1.00 0.00 N ATOM 434 CA ALA A 29 -14.586 1.608 -7.370 1.00 0.00 C ATOM 435 C ALA A 29 -15.283 0.257 -7.293 1.00 0.00 C ATOM 436 O ALA A 29 -15.378 -0.336 -6.233 1.00 0.00 O ATOM 437 CB ALA A 29 -15.325 2.672 -6.606 1.00 0.00 C ATOM 0 H ALA A 29 -14.940 2.692 -9.156 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.619 1.494 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.506 2.329 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.728 3.583 -6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.277 2.876 -7.095 1.00 0.00 H new ATOM 443 N ASN A 30 -15.737 -0.214 -8.433 1.00 0.00 N ATOM 444 CA ASN A 30 -16.383 -1.506 -8.586 1.00 0.00 C ATOM 445 C ASN A 30 -15.647 -2.310 -9.597 1.00 0.00 C ATOM 446 O ASN A 30 -16.257 -3.009 -10.422 1.00 0.00 O ATOM 447 CB ASN A 30 -17.827 -1.337 -9.035 1.00 0.00 C ATOM 448 CG ASN A 30 -18.779 -0.931 -7.925 1.00 0.00 C ATOM 449 OD1 ASN A 30 -19.355 -1.791 -7.251 1.00 0.00 O ATOM 450 ND2 ASN A 30 -18.967 0.356 -7.709 1.00 0.00 N ATOM 0 H ASN A 30 -15.666 0.305 -9.308 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.373 -2.015 -7.622 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.865 -0.586 -9.824 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.173 -2.275 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.601 0.662 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -18.479 1.046 -8.280 1.00 0.00 H new ATOM 457 N CYS A 31 -14.327 -2.196 -9.576 1.00 0.00 N ATOM 458 CA CYS A 31 -13.518 -3.160 -10.282 1.00 0.00 C ATOM 459 C CYS A 31 -13.854 -4.370 -9.594 1.00 0.00 C ATOM 460 O CYS A 31 -13.826 -4.320 -8.335 1.00 0.00 O ATOM 461 CB CYS A 31 -12.019 -2.965 -9.994 1.00 0.00 C ATOM 462 SG CYS A 31 -10.937 -4.199 -10.752 1.00 0.00 S ATOM 0 H CYS A 31 -13.810 -1.463 -9.089 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.684 -3.113 -11.358 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.721 -1.977 -10.344 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.865 -2.981 -8.915 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.701 -3.938 -10.447 1.00 0.00 H new ATOM 468 N SER A 32 -14.146 -5.482 -10.227 1.00 0.00 N ATOM 469 CA SER A 32 -14.357 -6.403 -9.288 1.00 0.00 C ATOM 470 C SER A 32 -13.144 -7.231 -9.315 1.00 0.00 C ATOM 471 O SER A 32 -13.025 -8.258 -10.006 1.00 0.00 O ATOM 472 CB SER A 32 -15.586 -7.261 -9.691 1.00 0.00 C ATOM 473 OG SER A 32 -15.907 -8.220 -8.693 1.00 0.00 O ATOM 0 H SER A 32 -14.222 -5.701 -11.220 1.00 0.00 H new ATOM 0 HA SER A 32 -14.550 -5.977 -8.303 1.00 0.00 H new ATOM 0 HB2 SER A 32 -16.444 -6.611 -9.860 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.381 -7.770 -10.633 1.00 0.00 H new ATOM 0 HG SER A 32 -16.686 -8.741 -8.979 1.00 0.00 H new ATOM 479 N LEU A 33 -12.190 -6.695 -8.649 1.00 0.00 N ATOM 480 CA LEU A 33 -11.300 -7.190 -7.894 1.00 0.00 C ATOM 481 C LEU A 33 -11.603 -6.576 -6.527 1.00 0.00 C ATOM 482 O LEU A 33 -11.170 -5.477 -6.292 1.00 0.00 O ATOM 483 CB LEU A 33 -9.950 -6.923 -8.465 1.00 0.00 C ATOM 484 CG LEU A 33 -8.853 -7.351 -7.624 1.00 0.00 C ATOM 485 CD1 LEU A 33 -9.184 -8.571 -6.896 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.661 -7.539 -8.396 1.00 0.00 C ATOM 0 H LEU A 33 -12.072 -5.683 -8.694 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.307 -8.276 -7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.870 -7.425 -9.429 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.853 -5.854 -8.653 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.673 -6.562 -6.894 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.338 -8.864 -6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.054 -8.393 -6.264 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.407 -9.368 -7.605 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.851 -7.861 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.836 -8.299 -9.157 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.388 -6.600 -8.878 1.00 0.00 H new ATOM 498 N PRO A 34 -12.467 -7.110 -5.746 1.00 0.00 N ATOM 499 CA PRO A 34 -12.708 -6.625 -4.374 1.00 0.00 C ATOM 500 C PRO A 34 -11.512 -6.603 -3.504 1.00 0.00 C ATOM 501 O PRO A 34 -11.491 -5.876 -2.532 1.00 0.00 O ATOM 502 CB PRO A 34 -13.794 -7.509 -3.877 1.00 0.00 C ATOM 503 CG PRO A 34 -14.537 -7.730 -5.146 1.00 0.00 C ATOM 504 CD PRO A 34 -13.462 -8.025 -6.149 1.00 0.00 C ATOM 0 HA PRO A 34 -12.987 -5.571 -4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.415 -8.436 -3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.406 -7.030 -3.112 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.239 -8.559 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.116 -6.850 -5.428 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.119 -9.058 -6.096 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -13.793 -7.851 -7.173 1.00 0.00 H new ATOM 512 N SER A 35 -10.522 -7.361 -3.812 1.00 0.00 N ATOM 513 CA SER A 35 -9.326 -7.146 -3.143 1.00 0.00 C ATOM 514 C SER A 35 -8.593 -5.884 -3.691 1.00 0.00 C ATOM 515 O SER A 35 -7.857 -5.217 -2.932 1.00 0.00 O ATOM 516 CB SER A 35 -8.508 -8.412 -2.969 1.00 0.00 C ATOM 517 OG SER A 35 -8.274 -9.065 -4.173 1.00 0.00 O ATOM 0 H SER A 35 -10.529 -8.110 -4.504 1.00 0.00 H new ATOM 0 HA SER A 35 -9.538 -6.887 -2.106 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.554 -8.163 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.029 -9.086 -2.289 1.00 0.00 H new ATOM 0 HG SER A 35 -7.743 -9.872 -4.010 1.00 0.00 H new ATOM 523 N CYS A 36 -8.892 -5.458 -5.000 1.00 0.00 N ATOM 524 CA CYS A 36 -8.406 -4.193 -5.440 1.00 0.00 C ATOM 525 C CYS A 36 -9.143 -3.200 -4.609 1.00 0.00 C ATOM 526 O CYS A 36 -8.546 -2.392 -3.941 1.00 0.00 O ATOM 527 CB CYS A 36 -8.661 -3.839 -6.947 1.00 0.00 C ATOM 528 SG CYS A 36 -8.070 -2.215 -7.444 1.00 0.00 S ATOM 0 H CYS A 36 -9.439 -5.984 -5.682 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.321 -4.198 -5.338 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.180 -4.593 -7.570 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.731 -3.898 -7.145 1.00 0.00 H new ATOM 0 HG CYS A 36 -6.838 -2.065 -7.058 1.00 0.00 H new ATOM 534 N GLN A 37 -10.499 -3.387 -4.612 1.00 0.00 N ATOM 535 CA GLN A 37 -11.489 -2.587 -3.889 1.00 0.00 C ATOM 536 C GLN A 37 -11.097 -2.329 -2.571 1.00 0.00 C ATOM 537 O GLN A 37 -11.105 -1.224 -2.156 1.00 0.00 O ATOM 538 CB GLN A 37 -12.890 -3.186 -3.856 1.00 0.00 C ATOM 539 CG GLN A 37 -13.580 -3.365 -5.236 1.00 0.00 C ATOM 540 CD GLN A 37 -15.044 -3.714 -5.088 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.404 -4.858 -4.997 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.896 -2.736 -5.098 1.00 0.00 N ATOM 0 H GLN A 37 -10.931 -4.139 -5.149 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.535 -1.662 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.837 -4.159 -3.368 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.522 -2.551 -3.234 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.482 -2.446 -5.814 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.074 -4.150 -5.797 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.567 -1.774 -5.176 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.895 -2.929 -5.028 1.00 0.00 H new ATOM 551 N LYS A 38 -10.764 -3.308 -1.925 1.00 0.00 N ATOM 552 CA LYS A 38 -10.403 -3.210 -0.641 1.00 0.00 C ATOM 553 C LYS A 38 -9.170 -2.334 -0.392 1.00 0.00 C ATOM 554 O LYS A 38 -9.194 -1.477 0.450 1.00 0.00 O ATOM 555 CB LYS A 38 -10.152 -4.502 -0.171 1.00 0.00 C ATOM 556 CG LYS A 38 -9.326 -4.459 1.020 1.00 0.00 C ATOM 557 CD LYS A 38 -9.694 -5.417 1.958 1.00 0.00 C ATOM 558 CE LYS A 38 -9.551 -6.802 1.418 1.00 0.00 C ATOM 559 NZ LYS A 38 -10.034 -7.819 2.370 1.00 0.00 N ATOM 0 H LYS A 38 -10.734 -4.256 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 38 -11.221 -2.721 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.094 -5.004 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.654 -5.086 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.283 -4.610 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.395 -3.469 1.470 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.077 -5.309 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.727 -5.250 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.107 -6.886 0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.504 -6.993 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.948 -8.763 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.464 -7.779 3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.031 -7.633 2.601 1.00 0.00 H new ATOM 573 N MET A 39 -8.104 -2.627 -1.094 1.00 0.00 N ATOM 574 CA MET A 39 -6.828 -1.925 -0.919 1.00 0.00 C ATOM 575 C MET A 39 -7.010 -0.482 -1.213 1.00 0.00 C ATOM 576 O MET A 39 -6.469 0.404 -0.589 1.00 0.00 O ATOM 577 CB MET A 39 -5.820 -2.434 -1.913 1.00 0.00 C ATOM 578 CG MET A 39 -5.025 -3.594 -1.492 1.00 0.00 C ATOM 579 SD MET A 39 -3.471 -3.209 -0.640 1.00 0.00 S ATOM 580 CE MET A 39 -4.021 -2.174 0.655 1.00 0.00 C ATOM 0 H MET A 39 -8.082 -3.357 -1.806 1.00 0.00 H new ATOM 0 HA MET A 39 -6.491 -2.088 0.105 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.346 -2.694 -2.832 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.137 -1.620 -2.156 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.636 -4.212 -0.834 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.797 -4.195 -2.372 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.180 -1.920 1.300 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.445 -1.262 0.236 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.782 -2.694 1.238 1.00 0.00 H new ATOM 590 N LYS A 40 -7.729 -0.329 -2.211 1.00 0.00 N ATOM 591 CA LYS A 40 -8.192 0.866 -2.795 1.00 0.00 C ATOM 592 C LYS A 40 -8.929 1.638 -1.764 1.00 0.00 C ATOM 593 O LYS A 40 -8.650 2.731 -1.514 1.00 0.00 O ATOM 594 CB LYS A 40 -9.161 0.395 -3.741 1.00 0.00 C ATOM 595 CG LYS A 40 -9.223 1.052 -4.961 1.00 0.00 C ATOM 596 CD LYS A 40 -10.168 0.291 -5.822 1.00 0.00 C ATOM 597 CE LYS A 40 -9.914 0.560 -7.208 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.441 1.867 -7.575 1.00 0.00 N ATOM 0 H LYS A 40 -8.067 -1.141 -2.728 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.399 1.483 -3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.961 -0.659 -3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.145 0.453 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.565 2.079 -4.828 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.237 1.101 -5.422 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.066 -0.777 -5.628 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.194 0.563 -5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.842 0.525 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.374 -0.211 -7.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.737 2.378 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.313 1.747 -8.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.651 2.411 -6.714 1.00 0.00 H new ATOM 612 N ARG A 41 -9.793 0.920 -1.091 1.00 0.00 N ATOM 613 CA ARG A 41 -10.670 1.363 0.005 1.00 0.00 C ATOM 614 C ARG A 41 -9.919 1.551 1.194 1.00 0.00 C ATOM 615 O ARG A 41 -10.432 1.976 2.164 1.00 0.00 O ATOM 616 CB ARG A 41 -11.678 0.367 0.282 1.00 0.00 C ATOM 617 CG ARG A 41 -12.916 0.518 -0.552 1.00 0.00 C ATOM 618 CD ARG A 41 -13.929 -0.436 -0.083 1.00 0.00 C ATOM 619 NE ARG A 41 -15.108 -0.487 -0.944 1.00 0.00 N ATOM 620 CZ ARG A 41 -16.071 -1.406 -0.861 1.00 0.00 C ATOM 621 NH1 ARG A 41 -16.019 -2.345 0.085 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.088 -1.382 -1.718 1.00 0.00 N ATOM 0 H ARG A 41 -9.925 -0.070 -1.299 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.135 2.298 -0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.255 -0.623 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.951 0.422 1.336 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.297 1.537 -0.480 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.687 0.337 -1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.485 -1.430 -0.025 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.235 -0.165 0.927 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.202 0.233 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.242 -2.361 0.746 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.756 -3.047 0.148 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.131 -0.661 -2.438 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.825 -2.085 -1.655 1.00 0.00 H new ATOM 636 N VAL A 42 -8.745 1.079 1.155 1.00 0.00 N ATOM 637 CA VAL A 42 -7.837 1.223 2.136 1.00 0.00 C ATOM 638 C VAL A 42 -7.042 2.519 1.941 1.00 0.00 C ATOM 639 O VAL A 42 -6.884 3.300 2.874 1.00 0.00 O ATOM 640 CB VAL A 42 -7.072 -0.061 2.424 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.648 0.225 2.699 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.739 -0.624 3.619 1.00 0.00 C ATOM 0 H VAL A 42 -8.395 0.544 0.360 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.334 1.374 3.095 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.082 -0.750 1.580 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.122 -0.708 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.201 0.713 1.833 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.570 0.882 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.252 -1.557 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.669 0.086 4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.788 -0.816 3.394 1.00 0.00 H new ATOM 652 N VAL A 43 -6.613 2.769 0.701 1.00 0.00 N ATOM 653 CA VAL A 43 -6.158 4.045 0.262 1.00 0.00 C ATOM 654 C VAL A 43 -7.224 5.023 0.576 1.00 0.00 C ATOM 655 O VAL A 43 -7.029 5.988 1.248 1.00 0.00 O ATOM 656 CB VAL A 43 -5.941 3.996 -1.270 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.725 5.349 -1.831 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.825 2.986 -1.698 1.00 0.00 C ATOM 0 H VAL A 43 -6.581 2.055 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.223 4.322 0.750 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.864 3.611 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.576 5.277 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.596 5.971 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.843 5.797 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.720 2.998 -2.783 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.879 3.273 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.097 1.983 -1.370 1.00 0.00 H new ATOM 668 N GLN A 44 -8.352 4.691 0.180 1.00 0.00 N ATOM 669 CA GLN A 44 -9.462 5.494 0.346 1.00 0.00 C ATOM 670 C GLN A 44 -9.923 5.507 1.822 1.00 0.00 C ATOM 671 O GLN A 44 -10.529 6.496 2.282 1.00 0.00 O ATOM 672 CB GLN A 44 -10.503 5.047 -0.640 1.00 0.00 C ATOM 673 CG GLN A 44 -9.994 5.220 -2.066 1.00 0.00 C ATOM 674 CD GLN A 44 -10.023 6.643 -2.548 1.00 0.00 C ATOM 675 OE1 GLN A 44 -11.022 7.102 -3.088 1.00 0.00 O ATOM 676 NE2 GLN A 44 -8.933 7.334 -2.403 1.00 0.00 N ATOM 0 H GLN A 44 -8.545 3.809 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.238 6.539 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.756 4.002 -0.462 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.417 5.625 -0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.972 4.846 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.597 4.606 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.121 6.917 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.889 8.294 -2.744 1.00 0.00 H new ATOM 685 N HIS A 45 -9.552 4.433 2.593 1.00 0.00 N ATOM 686 CA HIS A 45 -9.923 4.375 4.032 1.00 0.00 C ATOM 687 C HIS A 45 -9.176 5.359 4.710 1.00 0.00 C ATOM 688 O HIS A 45 -9.724 6.146 5.404 1.00 0.00 O ATOM 689 CB HIS A 45 -9.708 3.015 4.743 1.00 0.00 C ATOM 690 CG HIS A 45 -10.236 2.892 6.163 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.464 3.117 7.287 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.440 2.477 6.627 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.172 2.834 8.364 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.364 2.449 7.990 1.00 0.00 N ATOM 0 H HIS A 45 -9.019 3.632 2.253 1.00 0.00 H new ATOM 0 HA HIS A 45 -11.000 4.540 4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.176 2.238 4.138 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.638 2.806 4.759 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.301 2.217 6.029 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.825 2.908 9.384 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -12.119 2.171 8.618 1.00 0.00 H new ATOM 703 N THR A 46 -7.907 5.313 4.478 1.00 0.00 N ATOM 704 CA THR A 46 -7.006 6.220 5.066 1.00 0.00 C ATOM 705 C THR A 46 -7.471 7.615 4.846 1.00 0.00 C ATOM 706 O THR A 46 -7.742 8.293 5.774 1.00 0.00 O ATOM 707 CB THR A 46 -5.493 5.990 4.607 1.00 0.00 C ATOM 708 OG1 THR A 46 -4.592 6.591 5.467 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.106 6.557 3.324 1.00 0.00 C ATOM 0 H THR A 46 -7.469 4.628 3.862 1.00 0.00 H new ATOM 0 HA THR A 46 -6.998 6.032 6.140 1.00 0.00 H new ATOM 0 HB THR A 46 -5.460 4.901 4.576 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.684 6.296 5.248 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.058 6.332 3.128 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.723 6.127 2.535 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.247 7.638 3.346 1.00 0.00 H new ATOM 717 N LYS A 47 -7.722 7.979 3.647 1.00 0.00 N ATOM 718 CA LYS A 47 -7.879 9.364 3.329 1.00 0.00 C ATOM 719 C LYS A 47 -9.136 9.941 3.913 1.00 0.00 C ATOM 720 O LYS A 47 -9.143 11.094 4.332 1.00 0.00 O ATOM 721 CB LYS A 47 -7.938 9.512 1.903 1.00 0.00 C ATOM 722 CG LYS A 47 -6.825 8.800 1.120 1.00 0.00 C ATOM 723 CD LYS A 47 -6.899 9.151 -0.322 1.00 0.00 C ATOM 724 CE LYS A 47 -5.881 10.192 -0.584 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.063 10.868 -1.889 1.00 0.00 N ATOM 0 H LYS A 47 -7.826 7.341 2.858 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.028 9.897 3.753 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -8.901 9.137 1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.905 10.575 1.663 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.852 9.084 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.918 7.721 1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.715 8.272 -0.940 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.894 9.516 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.918 10.936 0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.890 9.739 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.321 11.585 -2.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.000 10.167 -2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.996 11.327 -1.915 1.00 0.00 H new ATOM 739 N GLY A 48 -10.183 9.156 3.960 1.00 0.00 N ATOM 740 CA GLY A 48 -11.350 9.662 4.597 1.00 0.00 C ATOM 741 C GLY A 48 -11.191 9.561 6.090 1.00 0.00 C ATOM 742 O GLY A 48 -11.806 10.311 6.849 1.00 0.00 O ATOM 0 H GLY A 48 -10.245 8.211 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.514 10.700 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.226 9.099 4.275 1.00 0.00 H new ATOM 746 N CYS A 49 -10.319 8.688 6.502 1.00 0.00 N ATOM 747 CA CYS A 49 -10.082 8.454 7.900 1.00 0.00 C ATOM 748 C CYS A 49 -8.883 9.220 8.369 1.00 0.00 C ATOM 749 O CYS A 49 -7.939 8.609 8.564 1.00 0.00 O ATOM 750 CB CYS A 49 -9.883 6.920 8.225 1.00 0.00 C ATOM 751 SG CYS A 49 -11.378 5.937 7.983 1.00 0.00 S ATOM 0 H CYS A 49 -9.750 8.116 5.878 1.00 0.00 H new ATOM 0 HA CYS A 49 -10.970 8.800 8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.089 6.522 7.593 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.551 6.815 9.258 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.422 5.509 6.756 1.00 0.00 H new ATOM 757 N LYS A 50 -8.911 10.557 8.618 1.00 0.00 N ATOM 758 CA LYS A 50 -7.629 11.285 9.045 1.00 0.00 C ATOM 759 C LYS A 50 -7.198 10.852 10.448 1.00 0.00 C ATOM 760 O LYS A 50 -6.072 11.159 11.024 1.00 0.00 O ATOM 761 CB LYS A 50 -7.733 12.742 8.935 1.00 0.00 C ATOM 762 CG LYS A 50 -6.380 13.417 8.812 1.00 0.00 C ATOM 763 CD LYS A 50 -5.807 13.311 7.399 1.00 0.00 C ATOM 764 CE LYS A 50 -6.662 14.042 6.367 1.00 0.00 C ATOM 765 NZ LYS A 50 -6.695 15.500 6.562 1.00 0.00 N ATOM 0 H LYS A 50 -9.741 11.146 8.544 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.850 10.989 8.342 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.341 12.994 8.066 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -8.251 13.132 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.474 14.468 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -5.685 12.964 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.798 13.723 7.388 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.726 12.260 7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.279 13.825 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.680 13.654 6.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.221 15.943 5.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.164 15.719 7.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.723 15.870 6.578 1.00 0.00 H new ATOM 779 N ARG A 51 -8.021 10.005 10.951 1.00 0.00 N ATOM 780 CA ARG A 51 -7.714 9.230 12.068 1.00 0.00 C ATOM 781 C ARG A 51 -6.579 8.253 11.744 1.00 0.00 C ATOM 782 O ARG A 51 -6.140 7.501 12.618 1.00 0.00 O ATOM 783 CB ARG A 51 -8.890 8.571 12.769 1.00 0.00 C ATOM 784 CG ARG A 51 -9.916 9.526 13.372 1.00 0.00 C ATOM 785 CD ARG A 51 -9.366 10.387 14.511 1.00 0.00 C ATOM 786 NE ARG A 51 -10.427 11.202 15.097 1.00 0.00 N ATOM 787 CZ ARG A 51 -10.281 12.420 15.631 1.00 0.00 C ATOM 788 NH1 ARG A 51 -9.074 12.939 15.835 1.00 0.00 N ATOM 789 NH2 ARG A 51 -11.354 13.088 16.017 1.00 0.00 N ATOM 0 H ARG A 51 -8.954 9.837 10.574 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.367 9.935 12.823 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.399 7.923 12.056 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.505 7.931 13.563 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.296 10.179 12.586 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.762 8.948 13.743 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -8.925 9.749 15.277 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.570 11.031 14.136 1.00 0.00 H new ATOM 0 HE ARG A 51 -11.367 10.806 15.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.241 12.407 15.583 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -8.981 13.869 16.243 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.280 12.674 15.906 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.256 14.017 16.426 1.00 0.00 H new ATOM 803 N LYS A 52 -6.153 8.303 10.462 1.00 0.00 N ATOM 804 CA LYS A 52 -5.199 7.481 9.847 1.00 0.00 C ATOM 805 C LYS A 52 -4.072 7.213 10.747 1.00 0.00 C ATOM 806 O LYS A 52 -3.918 6.088 11.250 1.00 0.00 O ATOM 807 CB LYS A 52 -4.600 8.320 8.672 1.00 0.00 C ATOM 808 CG LYS A 52 -5.440 8.570 7.510 1.00 0.00 C ATOM 809 CD LYS A 52 -4.782 9.603 6.636 1.00 0.00 C ATOM 810 CE LYS A 52 -5.311 9.660 5.347 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.722 10.761 4.551 1.00 0.00 N ATOM 0 H LYS A 52 -6.527 8.994 9.812 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.668 6.544 9.547 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.292 9.285 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.697 7.815 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.592 7.647 6.951 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.424 8.917 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.883 10.582 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.715 9.388 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.133 8.712 4.840 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.391 9.793 5.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.258 10.875 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.763 11.645 5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.731 10.537 4.329 1.00 0.00 H new ATOM 825 N THR A 53 -3.279 8.182 10.980 1.00 0.00 N ATOM 826 CA THR A 53 -2.416 8.101 11.963 1.00 0.00 C ATOM 827 C THR A 53 -2.944 8.694 13.282 1.00 0.00 C ATOM 828 O THR A 53 -2.541 8.249 14.359 1.00 0.00 O ATOM 829 CB THR A 53 -0.993 8.439 11.524 1.00 0.00 C ATOM 830 OG1 THR A 53 -0.953 9.747 10.930 1.00 0.00 O ATOM 831 CG2 THR A 53 -0.570 7.379 10.481 1.00 0.00 C ATOM 0 H THR A 53 -3.252 9.053 10.449 1.00 0.00 H new ATOM 0 HA THR A 53 -2.307 7.054 12.246 1.00 0.00 H new ATOM 0 HB THR A 53 -0.319 8.436 12.380 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.035 9.953 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.445 7.587 10.142 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.605 6.388 10.934 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.251 7.413 9.631 1.00 0.00 H new ATOM 839 N ASN A 54 -3.930 9.699 13.194 1.00 0.00 N ATOM 840 CA ASN A 54 -4.327 10.445 14.410 1.00 0.00 C ATOM 841 C ASN A 54 -4.876 9.553 15.505 1.00 0.00 C ATOM 842 O ASN A 54 -4.501 9.692 16.661 1.00 0.00 O ATOM 843 CB ASN A 54 -5.346 11.529 14.108 1.00 0.00 C ATOM 844 CG ASN A 54 -5.535 12.500 15.241 1.00 0.00 C ATOM 845 OD1 ASN A 54 -6.379 12.301 16.116 1.00 0.00 O ATOM 846 ND2 ASN A 54 -4.799 13.547 15.208 1.00 0.00 N ATOM 0 H ASN A 54 -4.414 9.970 12.338 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.404 10.901 14.769 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.032 12.076 13.219 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.303 11.063 13.874 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.898 14.263 15.928 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.114 13.665 14.462 1.00 0.00 H new ATOM 853 N GLY A 55 -5.725 8.622 15.136 1.00 0.00 N ATOM 854 CA GLY A 55 -6.384 7.807 16.125 1.00 0.00 C ATOM 855 C GLY A 55 -5.824 6.422 16.204 1.00 0.00 C ATOM 856 O GLY A 55 -6.359 5.576 16.928 1.00 0.00 O ATOM 0 H GLY A 55 -5.973 8.413 14.169 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.296 8.285 17.100 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.447 7.751 15.893 1.00 0.00 H new ATOM 860 N GLY A 56 -4.744 6.182 15.478 1.00 0.00 N ATOM 861 CA GLY A 56 -4.163 4.894 15.445 1.00 0.00 C ATOM 862 C GLY A 56 -5.059 3.921 14.836 1.00 0.00 C ATOM 863 O GLY A 56 -5.428 2.921 15.458 1.00 0.00 O ATOM 0 H GLY A 56 -4.267 6.881 14.909 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.228 4.929 14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.916 4.579 16.459 1.00 0.00 H new ATOM 867 N CYS A 57 -5.471 4.203 13.657 1.00 0.00 N ATOM 868 CA CYS A 57 -6.246 3.234 12.974 1.00 0.00 C ATOM 869 C CYS A 57 -5.315 2.651 11.984 1.00 0.00 C ATOM 870 O CYS A 57 -5.259 3.163 10.849 1.00 0.00 O ATOM 871 CB CYS A 57 -7.492 3.853 12.274 1.00 0.00 C ATOM 872 SG CYS A 57 -8.582 2.680 11.435 1.00 0.00 S ATOM 0 H CYS A 57 -5.292 5.072 13.154 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.653 2.492 13.661 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.075 4.393 13.021 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.149 4.588 11.545 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.754 3.218 11.271 1.00 0.00 H new ATOM 878 N PRO A 58 -4.443 1.638 12.332 1.00 0.00 N ATOM 879 CA PRO A 58 -3.422 1.544 11.345 1.00 0.00 C ATOM 880 C PRO A 58 -3.687 0.625 10.144 1.00 0.00 C ATOM 881 O PRO A 58 -2.837 -0.214 9.805 1.00 0.00 O ATOM 882 CB PRO A 58 -2.633 0.530 12.216 1.00 0.00 C ATOM 883 CG PRO A 58 -3.746 -0.407 12.565 1.00 0.00 C ATOM 884 CD PRO A 58 -4.712 0.475 13.134 1.00 0.00 C ATOM 0 HA PRO A 58 -3.110 2.514 10.959 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -1.829 0.041 11.666 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.183 0.992 13.094 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.134 -0.924 11.687 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.427 -1.173 13.272 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.734 0.112 13.022 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.550 0.649 14.198 1.00 0.00 H new ATOM 892 N ILE A 59 -4.377 1.151 9.290 1.00 0.00 N ATOM 893 CA ILE A 59 -4.432 0.818 8.011 1.00 0.00 C ATOM 894 C ILE A 59 -3.652 1.676 7.286 1.00 0.00 C ATOM 895 O ILE A 59 -2.762 1.322 6.759 1.00 0.00 O ATOM 896 CB ILE A 59 -5.814 0.510 7.570 1.00 0.00 C ATOM 897 CG1 ILE A 59 -6.065 0.581 6.135 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.924 1.024 8.440 1.00 0.00 C ATOM 899 CD1 ILE A 59 -6.367 1.965 5.556 1.00 0.00 C ATOM 0 H ILE A 59 -4.997 1.930 9.511 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.971 -0.149 7.810 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.850 -0.562 7.761 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.194 0.179 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.904 -0.075 5.904 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.884 0.735 8.013 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.829 0.600 9.440 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.866 2.111 8.500 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.535 1.882 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -7.259 2.372 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.523 2.629 5.741 1.00 0.00 H new ATOM 911 N CYS A 60 -4.023 2.907 7.483 1.00 0.00 N ATOM 912 CA CYS A 60 -3.437 4.138 7.040 1.00 0.00 C ATOM 913 C CYS A 60 -2.084 4.244 7.505 1.00 0.00 C ATOM 914 O CYS A 60 -1.306 4.818 6.898 1.00 0.00 O ATOM 915 CB CYS A 60 -4.152 5.190 7.815 1.00 0.00 C ATOM 916 SG CYS A 60 -5.960 4.944 7.871 1.00 0.00 S ATOM 0 H CYS A 60 -4.860 3.095 8.035 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.488 4.212 5.954 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.763 5.208 8.833 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.938 6.164 7.375 1.00 0.00 H new ATOM 0 HG CYS A 60 -6.347 4.325 6.796 1.00 0.00 H new ATOM 922 N LYS A 61 -1.871 3.759 8.635 1.00 0.00 N ATOM 923 CA LYS A 61 -0.642 3.833 9.229 1.00 0.00 C ATOM 924 C LYS A 61 0.198 2.841 8.638 1.00 0.00 C ATOM 925 O LYS A 61 1.303 3.148 8.257 1.00 0.00 O ATOM 926 CB LYS A 61 -0.748 3.610 10.645 1.00 0.00 C ATOM 927 CG LYS A 61 0.505 3.869 11.334 1.00 0.00 C ATOM 928 CD LYS A 61 0.444 3.237 12.651 1.00 0.00 C ATOM 929 CE LYS A 61 -0.757 3.639 13.538 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.517 3.197 14.930 1.00 0.00 N ATOM 0 H LYS A 61 -2.579 3.281 9.192 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.219 4.826 9.079 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.527 4.253 11.056 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.056 2.580 10.827 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.343 3.472 10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.668 4.942 11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.423 2.156 12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.363 3.472 13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.898 4.719 13.508 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.672 3.187 13.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.326 3.468 15.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.403 2.163 14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.347 3.648 15.293 1.00 0.00 H new ATOM 944 N GLN A 62 -0.302 1.627 8.506 1.00 0.00 N ATOM 945 CA GLN A 62 0.554 0.692 7.900 1.00 0.00 C ATOM 946 C GLN A 62 0.570 0.800 6.386 1.00 0.00 C ATOM 947 O GLN A 62 1.481 0.410 5.777 1.00 0.00 O ATOM 948 CB GLN A 62 0.399 -0.639 8.510 1.00 0.00 C ATOM 949 CG GLN A 62 0.507 -0.453 10.057 1.00 0.00 C ATOM 950 CD GLN A 62 0.888 -1.624 10.879 1.00 0.00 C ATOM 951 OE1 GLN A 62 1.555 -1.448 11.877 1.00 0.00 O ATOM 952 NE2 GLN A 62 0.439 -2.769 10.613 1.00 0.00 N ATOM 0 H GLN A 62 -1.226 1.304 8.792 1.00 0.00 H new ATOM 0 HA GLN A 62 1.592 0.939 8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -0.563 -1.076 8.241 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.170 -1.320 8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.233 0.337 10.247 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.457 -0.093 10.417 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.122 -2.915 9.773 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.636 -3.552 11.237 1.00 0.00 H new ATOM 961 N LEU A 63 -0.454 1.361 5.859 1.00 0.00 N ATOM 962 CA LEU A 63 -0.573 1.853 4.509 1.00 0.00 C ATOM 963 C LEU A 63 0.336 3.029 4.283 1.00 0.00 C ATOM 964 O LEU A 63 0.952 3.060 3.330 1.00 0.00 O ATOM 965 CB LEU A 63 -2.008 2.206 4.224 1.00 0.00 C ATOM 966 CG LEU A 63 -2.301 3.197 3.184 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.689 2.825 1.928 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.697 3.209 2.988 1.00 0.00 C ATOM 0 H LEU A 63 -1.310 1.507 6.394 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.264 1.070 3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.527 1.285 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.450 2.564 5.154 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.916 4.167 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.921 3.576 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.608 2.760 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.075 1.857 1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.950 3.938 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.029 2.219 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.193 3.479 3.920 1.00 0.00 H new ATOM 980 N ILE A 64 0.348 4.023 5.139 1.00 0.00 N ATOM 981 CA ILE A 64 1.358 5.094 5.058 1.00 0.00 C ATOM 982 C ILE A 64 2.687 4.468 5.095 1.00 0.00 C ATOM 983 O ILE A 64 3.465 4.742 4.307 1.00 0.00 O ATOM 984 CB ILE A 64 1.263 6.141 6.224 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.134 7.176 6.021 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.613 6.736 6.649 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.170 8.365 6.971 1.00 0.00 C ATOM 0 H ILE A 64 -0.320 4.128 5.903 1.00 0.00 H new ATOM 0 HA ILE A 64 1.179 5.640 4.132 1.00 0.00 H new ATOM 0 HB ILE A 64 0.957 5.569 7.099 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.182 7.547 4.997 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.825 6.671 6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.458 7.449 7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.271 5.937 6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.070 7.245 5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.662 9.034 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.087 8.012 7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.110 8.902 6.846 1.00 0.00 H new ATOM 999 N ALA A 65 2.884 3.637 6.039 1.00 0.00 N ATOM 1000 CA ALA A 65 4.083 2.864 6.175 1.00 0.00 C ATOM 1001 C ALA A 65 4.410 2.187 4.845 1.00 0.00 C ATOM 1002 O ALA A 65 5.504 2.299 4.302 1.00 0.00 O ATOM 1003 CB ALA A 65 3.786 1.813 7.176 1.00 0.00 C ATOM 0 H ALA A 65 2.199 3.458 6.773 1.00 0.00 H new ATOM 0 HA ALA A 65 4.924 3.491 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.668 1.190 7.322 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.511 2.279 8.122 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.960 1.196 6.822 1.00 0.00 H new ATOM 1009 N LEU A 66 3.404 1.549 4.337 1.00 0.00 N ATOM 1010 CA LEU A 66 3.415 0.858 3.118 1.00 0.00 C ATOM 1011 C LEU A 66 3.705 1.793 1.889 1.00 0.00 C ATOM 1012 O LEU A 66 4.732 1.655 1.189 1.00 0.00 O ATOM 1013 CB LEU A 66 2.067 0.108 2.984 1.00 0.00 C ATOM 1014 CG LEU A 66 1.689 -0.275 1.569 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.587 -1.266 1.148 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.272 -0.776 1.305 1.00 0.00 C ATOM 0 H LEU A 66 2.500 1.503 4.806 1.00 0.00 H new ATOM 0 HA LEU A 66 4.237 0.142 3.117 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.109 -0.796 3.591 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.277 0.734 3.399 1.00 0.00 H new ATOM 0 HG LEU A 66 1.735 0.663 1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.344 -1.568 0.129 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.603 -0.873 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.512 -2.129 1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.160 -1.008 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.088 -1.674 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.445 -0.004 1.585 1.00 0.00 H new ATOM 1028 N ALA A 67 2.806 2.715 1.668 1.00 0.00 N ATOM 1029 CA ALA A 67 2.845 3.682 0.663 1.00 0.00 C ATOM 1030 C ALA A 67 4.109 4.506 0.748 1.00 0.00 C ATOM 1031 O ALA A 67 4.787 4.706 -0.257 1.00 0.00 O ATOM 1032 CB ALA A 67 1.605 4.549 0.778 1.00 0.00 C ATOM 0 H ALA A 67 1.970 2.794 2.247 1.00 0.00 H new ATOM 0 HA ALA A 67 2.855 3.197 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.620 5.311 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.716 3.929 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.587 5.030 1.756 1.00 0.00 H new ATOM 1038 N ALA A 68 4.443 4.943 1.949 1.00 0.00 N ATOM 1039 CA ALA A 68 5.596 5.738 2.189 1.00 0.00 C ATOM 1040 C ALA A 68 6.864 5.044 1.987 1.00 0.00 C ATOM 1041 O ALA A 68 7.742 5.662 1.496 1.00 0.00 O ATOM 1042 CB ALA A 68 5.594 6.462 3.510 1.00 0.00 C ATOM 0 H ALA A 68 3.900 4.742 2.789 1.00 0.00 H new ATOM 0 HA ALA A 68 5.519 6.496 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.511 7.043 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.734 7.130 3.557 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.535 5.737 4.322 1.00 0.00 H new ATOM 1048 N TYR A 69 7.018 3.762 2.352 1.00 0.00 N ATOM 1049 CA TYR A 69 8.299 3.151 2.089 1.00 0.00 C ATOM 1050 C TYR A 69 8.478 3.023 0.618 1.00 0.00 C ATOM 1051 O TYR A 69 9.594 3.066 0.090 1.00 0.00 O ATOM 1052 CB TYR A 69 8.488 1.791 2.755 1.00 0.00 C ATOM 1053 CG TYR A 69 7.972 0.522 2.152 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.752 -0.116 1.189 1.00 0.00 C ATOM 1055 CD2 TYR A 69 6.806 -0.084 2.549 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.384 -1.290 0.632 1.00 0.00 C ATOM 1057 CE2 TYR A 69 6.423 -1.289 1.987 1.00 0.00 C ATOM 1058 CZ TYR A 69 7.231 -1.878 1.022 1.00 0.00 C ATOM 1059 OH TYR A 69 6.869 -3.052 0.439 1.00 0.00 O ATOM 0 H TYR A 69 6.315 3.173 2.799 1.00 0.00 H new ATOM 0 HA TYR A 69 9.056 3.803 2.525 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.561 1.657 2.892 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.046 1.866 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.679 0.343 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.186 0.381 3.302 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.006 -1.755 -0.119 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.505 -1.767 2.295 1.00 0.00 H new ATOM 0 HH TYR A 69 7.624 -3.676 0.464 1.00 0.00 H new ATOM 1069 N HIS A 70 7.351 2.900 -0.043 1.00 0.00 N ATOM 1070 CA HIS A 70 7.349 2.786 -1.486 1.00 0.00 C ATOM 1071 C HIS A 70 7.823 4.081 -2.048 1.00 0.00 C ATOM 1072 O HIS A 70 8.719 4.128 -2.836 1.00 0.00 O ATOM 1073 CB HIS A 70 5.966 2.484 -2.106 1.00 0.00 C ATOM 1074 CG HIS A 70 5.986 2.161 -3.587 1.00 0.00 C ATOM 1075 ND1 HIS A 70 6.594 1.043 -4.109 1.00 0.00 N ATOM 1076 CD2 HIS A 70 5.404 2.787 -4.643 1.00 0.00 C ATOM 1077 CE1 HIS A 70 6.382 0.983 -5.403 1.00 0.00 C ATOM 1078 NE2 HIS A 70 5.663 2.025 -5.753 1.00 0.00 N ATOM 0 H HIS A 70 6.428 2.876 0.390 1.00 0.00 H new ATOM 0 HA HIS A 70 7.994 1.942 -1.731 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.520 1.645 -1.572 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.317 3.345 -1.946 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.844 3.710 -4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.738 0.209 -6.067 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.347 2.234 -6.700 1.00 0.00 H new ATOM 1087 N ALA A 71 7.153 5.102 -1.617 1.00 0.00 N ATOM 1088 CA ALA A 71 7.399 6.479 -1.941 1.00 0.00 C ATOM 1089 C ALA A 71 8.827 6.822 -1.703 1.00 0.00 C ATOM 1090 O ALA A 71 9.503 7.392 -2.530 1.00 0.00 O ATOM 1091 CB ALA A 71 6.613 7.239 -0.963 1.00 0.00 C ATOM 0 H ALA A 71 6.361 4.991 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 71 7.149 6.687 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.745 8.306 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.559 6.982 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.950 6.994 0.044 1.00 0.00 H new ATOM 1097 N LYS A 72 9.232 6.469 -0.535 1.00 0.00 N ATOM 1098 CA LYS A 72 10.542 6.661 -0.038 1.00 0.00 C ATOM 1099 C LYS A 72 11.607 6.139 -1.050 1.00 0.00 C ATOM 1100 O LYS A 72 12.589 6.818 -1.351 1.00 0.00 O ATOM 1101 CB LYS A 72 10.676 5.968 1.318 1.00 0.00 C ATOM 1102 CG LYS A 72 10.475 6.876 2.490 1.00 0.00 C ATOM 1103 CD LYS A 72 9.952 6.052 3.607 1.00 0.00 C ATOM 1104 CE LYS A 72 9.782 6.799 4.899 1.00 0.00 C ATOM 1105 NZ LYS A 72 8.847 7.954 4.796 1.00 0.00 N ATOM 0 H LYS A 72 8.617 6.011 0.138 1.00 0.00 H new ATOM 0 HA LYS A 72 10.722 7.728 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.951 5.156 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.666 5.517 1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.414 7.352 2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.775 7.674 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.990 5.633 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.628 5.213 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.416 6.112 5.662 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.755 7.158 5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.370 8.839 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.419 7.971 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.099 7.860 5.512 1.00 0.00 H new ATOM 1119 N HIS A 73 11.360 4.939 -1.586 1.00 0.00 N ATOM 1120 CA HIS A 73 12.268 4.316 -2.618 1.00 0.00 C ATOM 1121 C HIS A 73 11.927 4.774 -4.078 1.00 0.00 C ATOM 1122 O HIS A 73 12.824 4.901 -4.905 1.00 0.00 O ATOM 1123 CB HIS A 73 12.294 2.727 -2.530 1.00 0.00 C ATOM 1124 CG HIS A 73 13.312 2.048 -3.425 1.00 0.00 C ATOM 1125 ND1 HIS A 73 14.519 1.578 -2.970 1.00 0.00 N ATOM 1126 CD2 HIS A 73 13.259 1.706 -4.732 1.00 0.00 C ATOM 1127 CE1 HIS A 73 15.158 0.980 -3.949 1.00 0.00 C ATOM 1128 NE2 HIS A 73 14.415 1.042 -5.028 1.00 0.00 N ATOM 0 H HIS A 73 10.553 4.366 -1.341 1.00 0.00 H new ATOM 0 HA HIS A 73 13.267 4.681 -2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.492 2.439 -1.498 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.303 2.349 -2.781 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.451 1.919 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.131 0.516 -3.878 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.661 0.657 -5.940 1.00 0.00 H new ATOM 1137 N CYS A 74 10.665 5.015 -4.379 1.00 0.00 N ATOM 1138 CA CYS A 74 10.234 5.395 -5.696 1.00 0.00 C ATOM 1139 C CYS A 74 10.350 6.905 -5.938 1.00 0.00 C ATOM 1140 O CYS A 74 9.555 7.666 -5.401 1.00 0.00 O ATOM 1141 CB CYS A 74 8.762 4.938 -5.893 1.00 0.00 C ATOM 1142 SG CYS A 74 8.607 3.206 -6.330 1.00 0.00 S ATOM 0 H CYS A 74 9.906 4.949 -3.701 1.00 0.00 H new ATOM 0 HA CYS A 74 10.888 4.908 -6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 74 8.205 5.125 -4.975 1.00 0.00 H new ATOM 0 HB3 CYS A 74 8.302 5.545 -6.673 1.00 0.00 H new ATOM 0 HG CYS A 74 7.357 2.854 -6.271 1.00 0.00 H new ATOM 1148 N GLN A 75 11.307 7.368 -6.759 1.00 0.00 N ATOM 1149 CA GLN A 75 11.339 8.772 -7.020 1.00 0.00 C ATOM 1150 C GLN A 75 10.449 9.091 -8.223 1.00 0.00 C ATOM 1151 O GLN A 75 10.873 8.985 -9.374 1.00 0.00 O ATOM 1152 CB GLN A 75 12.777 9.375 -7.171 1.00 0.00 C ATOM 1153 CG GLN A 75 13.556 9.528 -5.853 1.00 0.00 C ATOM 1154 CD GLN A 75 13.596 8.311 -4.927 1.00 0.00 C ATOM 1155 OE1 GLN A 75 14.487 7.470 -5.055 1.00 0.00 O ATOM 1156 NE2 GLN A 75 12.681 8.227 -3.954 1.00 0.00 N ATOM 0 H GLN A 75 12.023 6.807 -7.221 1.00 0.00 H new ATOM 0 HA GLN A 75 10.941 9.266 -6.133 1.00 0.00 H new ATOM 0 HB2 GLN A 75 13.353 8.740 -7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.697 10.353 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 75 14.582 9.803 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 75 13.125 10.362 -5.299 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.955 8.939 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 75 12.710 7.451 -3.293 1.00 0.00 H new ATOM 1165 N GLU A 76 9.194 9.376 -7.940 1.00 0.00 N ATOM 1166 CA GLU A 76 8.207 9.774 -8.886 1.00 0.00 C ATOM 1167 C GLU A 76 7.179 10.462 -8.090 1.00 0.00 C ATOM 1168 O GLU A 76 7.009 10.156 -6.910 1.00 0.00 O ATOM 1169 CB GLU A 76 7.630 8.581 -9.694 1.00 0.00 C ATOM 1170 CG GLU A 76 6.372 8.895 -10.511 1.00 0.00 C ATOM 1171 CD GLU A 76 5.921 7.695 -11.319 1.00 0.00 C ATOM 1172 OE1 GLU A 76 5.293 6.785 -10.757 1.00 0.00 O ATOM 1173 OE2 GLU A 76 6.188 7.643 -12.536 1.00 0.00 O ATOM 0 H GLU A 76 8.830 9.329 -6.988 1.00 0.00 H new ATOM 0 HA GLU A 76 8.629 10.424 -9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.402 8.214 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.402 7.770 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.570 9.206 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.571 9.732 -11.180 1.00 0.00 H new ATOM 1180 N ASN A 77 6.523 11.382 -8.677 1.00 0.00 N ATOM 1181 CA ASN A 77 5.614 12.187 -7.937 1.00 0.00 C ATOM 1182 C ASN A 77 4.209 11.988 -8.441 1.00 0.00 C ATOM 1183 O ASN A 77 3.248 12.636 -8.032 1.00 0.00 O ATOM 1184 CB ASN A 77 6.103 13.630 -7.915 1.00 0.00 C ATOM 1185 CG ASN A 77 5.351 14.528 -6.933 1.00 0.00 C ATOM 1186 OD1 ASN A 77 4.829 14.076 -5.931 1.00 0.00 O ATOM 1187 ND2 ASN A 77 5.323 15.811 -7.203 1.00 0.00 N ATOM 0 H ASN A 77 6.592 11.604 -9.670 1.00 0.00 H new ATOM 0 HA ASN A 77 5.580 11.878 -6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.163 13.639 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.012 14.049 -8.917 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.856 16.456 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 77 5.769 16.164 -8.050 1.00 0.00 H new ATOM 1194 N LYS A 78 4.114 11.079 -9.345 1.00 0.00 N ATOM 1195 CA LYS A 78 2.872 10.687 -9.898 1.00 0.00 C ATOM 1196 C LYS A 78 2.585 9.229 -9.655 1.00 0.00 C ATOM 1197 O LYS A 78 1.778 8.631 -10.385 1.00 0.00 O ATOM 1198 CB LYS A 78 2.812 10.972 -11.376 1.00 0.00 C ATOM 1199 CG LYS A 78 2.057 12.236 -11.744 1.00 0.00 C ATOM 1200 CD LYS A 78 2.913 13.484 -11.626 1.00 0.00 C ATOM 1201 CE LYS A 78 3.985 13.511 -12.708 1.00 0.00 C ATOM 1202 NZ LYS A 78 4.802 14.737 -12.668 1.00 0.00 N ATOM 0 H LYS A 78 4.916 10.578 -9.727 1.00 0.00 H new ATOM 0 HA LYS A 78 2.109 11.279 -9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.829 11.047 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.343 10.125 -11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.687 12.149 -12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.186 12.335 -11.097 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.284 14.370 -11.709 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.382 13.517 -10.643 1.00 0.00 H new ATOM 0 HE2 LYS A 78 4.634 12.643 -12.593 1.00 0.00 H new ATOM 0 HE3 LYS A 78 3.511 13.427 -13.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.515 14.704 -13.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.190 15.567 -12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.278 14.807 -11.746 1.00 0.00 H new ATOM 1216 N CYS A 79 3.233 8.621 -8.675 1.00 0.00 N ATOM 1217 CA CYS A 79 2.780 7.321 -8.288 1.00 0.00 C ATOM 1218 C CYS A 79 1.441 7.591 -7.632 1.00 0.00 C ATOM 1219 O CYS A 79 1.385 8.369 -6.709 1.00 0.00 O ATOM 1220 CB CYS A 79 3.723 6.620 -7.307 1.00 0.00 C ATOM 1221 SG CYS A 79 5.429 6.443 -7.857 1.00 0.00 S ATOM 0 H CYS A 79 4.033 8.993 -8.163 1.00 0.00 H new ATOM 0 HA CYS A 79 2.728 6.650 -9.145 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.719 7.174 -6.368 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.324 5.628 -7.094 1.00 0.00 H new ATOM 0 HG CYS A 79 5.485 6.577 -9.149 1.00 0.00 H new ATOM 1227 N PRO A 80 0.373 6.950 -8.105 1.00 0.00 N ATOM 1228 CA PRO A 80 -1.067 7.260 -7.749 1.00 0.00 C ATOM 1229 C PRO A 80 -1.450 7.067 -6.321 1.00 0.00 C ATOM 1230 O PRO A 80 -2.624 7.101 -5.970 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.826 6.294 -8.651 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.879 5.211 -9.002 1.00 0.00 C ATOM 1233 CD PRO A 80 0.476 5.801 -9.005 1.00 0.00 C ATOM 0 HA PRO A 80 -1.281 8.319 -7.892 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.701 5.893 -8.140 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.185 6.801 -9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -0.942 4.396 -8.281 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -1.119 4.792 -9.979 1.00 0.00 H new ATOM 0 HD2 PRO A 80 1.221 5.087 -8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.774 6.107 -10.008 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.497 7.035 -5.496 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.664 6.501 -4.241 1.00 0.00 C ATOM 1243 C VAL A 81 -0.441 7.485 -3.097 1.00 0.00 C ATOM 1244 O VAL A 81 0.437 8.500 -3.200 1.00 0.00 O ATOM 1245 CB VAL A 81 0.293 5.283 -4.125 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.195 4.550 -2.774 1.00 0.00 C ATOM 1247 CG2 VAL A 81 0.035 4.338 -5.294 1.00 0.00 C ATOM 0 H VAL A 81 0.440 7.390 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.708 6.206 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 81 1.316 5.658 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.891 3.711 -2.764 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.445 5.239 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.821 4.181 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.702 3.479 -5.222 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.000 3.997 -5.265 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.218 4.862 -6.232 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.264 7.216 -1.972 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.085 7.731 -0.657 1.00 0.00 C ATOM 1259 C PRO A 82 0.320 7.501 -0.268 1.00 0.00 C ATOM 1260 O PRO A 82 1.037 6.800 -0.940 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.104 7.023 0.256 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.470 5.875 -0.542 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.455 6.407 -1.974 1.00 0.00 C ATOM 0 HA PRO A 82 -1.266 8.803 -0.583 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.665 6.734 1.211 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -2.963 7.657 0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.763 5.056 -0.412 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.453 5.494 -0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.403 5.604 -2.709 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.346 6.991 -2.203 1.00 0.00 H new ATOM 1271 N PHE A 83 0.657 7.944 0.840 1.00 0.00 N ATOM 1272 CA PHE A 83 1.849 8.607 0.921 1.00 0.00 C ATOM 1273 C PHE A 83 3.140 8.121 0.239 1.00 0.00 C ATOM 1274 O PHE A 83 4.089 7.676 0.767 1.00 0.00 O ATOM 1275 CB PHE A 83 1.940 9.383 2.149 1.00 0.00 C ATOM 1276 CG PHE A 83 0.571 10.005 2.422 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.051 10.801 1.471 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.122 9.694 3.560 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.336 11.260 1.660 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.407 10.160 3.765 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.015 10.935 2.805 1.00 0.00 C ATOM 0 H PHE A 83 0.125 7.861 1.707 1.00 0.00 H new ATOM 0 HA PHE A 83 1.776 9.279 0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 83 2.241 8.745 2.980 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.698 10.160 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 83 0.480 11.065 0.569 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.343 9.073 4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -1.807 11.875 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.932 9.916 4.677 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.025 11.287 2.953 1.00 0.00 H new ATOM 1291 N CYS A 84 3.025 8.579 -0.924 1.00 0.00 N ATOM 1292 CA CYS A 84 3.691 8.800 -2.087 1.00 0.00 C ATOM 1293 C CYS A 84 3.101 10.190 -2.235 1.00 0.00 C ATOM 1294 O CYS A 84 2.871 10.754 -1.188 1.00 0.00 O ATOM 1295 CB CYS A 84 3.392 7.844 -3.254 1.00 0.00 C ATOM 1296 SG CYS A 84 4.184 8.389 -4.773 1.00 0.00 S ATOM 0 H CYS A 84 2.087 8.932 -1.111 1.00 0.00 H new ATOM 0 HA CYS A 84 4.773 8.667 -2.087 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.738 6.841 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.315 7.781 -3.407 1.00 0.00 H new ATOM 0 HG CYS A 84 3.277 8.631 -5.673 1.00 0.00 H new ATOM 1302 N LEU A 85 2.826 10.722 -3.400 1.00 0.00 N ATOM 1303 CA LEU A 85 2.826 12.244 -3.789 1.00 0.00 C ATOM 1304 C LEU A 85 2.377 13.401 -2.747 1.00 0.00 C ATOM 1305 O LEU A 85 2.106 14.527 -3.144 1.00 0.00 O ATOM 1306 CB LEU A 85 2.010 12.495 -5.084 1.00 0.00 C ATOM 1307 CG LEU A 85 0.515 12.101 -5.167 1.00 0.00 C ATOM 1308 CD1 LEU A 85 0.390 11.105 -6.212 1.00 0.00 C ATOM 1309 CD2 LEU A 85 -0.034 11.539 -3.889 1.00 0.00 C ATOM 0 H LEU A 85 2.574 10.134 -4.195 1.00 0.00 H new ATOM 0 HA LEU A 85 3.906 12.369 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.073 13.561 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.524 11.975 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.059 13.004 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.653 10.801 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.728 11.527 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.001 10.237 -5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.086 11.287 -4.025 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.522 10.642 -3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.062 12.280 -3.095 1.00 0.00 H new ATOM 1321 N ASN A 86 2.330 13.099 -1.501 1.00 0.00 N ATOM 1322 CA ASN A 86 2.212 14.016 -0.385 1.00 0.00 C ATOM 1323 C ASN A 86 3.440 13.806 0.539 1.00 0.00 C ATOM 1324 O ASN A 86 3.909 14.738 1.174 1.00 0.00 O ATOM 1325 CB ASN A 86 0.887 13.858 0.374 1.00 0.00 C ATOM 1326 CG ASN A 86 0.842 14.617 1.704 1.00 0.00 C ATOM 1327 OD1 ASN A 86 0.501 15.794 1.758 1.00 0.00 O ATOM 1328 ND2 ASN A 86 1.147 13.926 2.787 1.00 0.00 N ATOM 0 H ASN A 86 2.376 12.128 -1.191 1.00 0.00 H new ATOM 0 HA ASN A 86 2.200 15.039 -0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.072 14.207 -0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.712 12.799 0.565 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.103 14.370 3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.427 12.948 2.706 1.00 0.00 H new ATOM 1335 N ILE A 87 3.987 12.544 0.586 1.00 0.00 N ATOM 1336 CA ILE A 87 5.286 12.300 1.284 1.00 0.00 C ATOM 1337 C ILE A 87 6.384 12.816 0.370 1.00 0.00 C ATOM 1338 O ILE A 87 7.499 13.119 0.784 1.00 0.00 O ATOM 1339 CB ILE A 87 5.565 10.750 1.736 1.00 0.00 C ATOM 1340 CG1 ILE A 87 5.658 10.684 3.271 1.00 0.00 C ATOM 1341 CG2 ILE A 87 6.873 10.135 1.119 1.00 0.00 C ATOM 1342 CD1 ILE A 87 4.408 11.136 4.000 1.00 0.00 C ATOM 0 H ILE A 87 3.564 11.716 0.166 1.00 0.00 H new ATOM 0 HA ILE A 87 5.257 12.832 2.235 1.00 0.00 H new ATOM 0 HB ILE A 87 4.731 10.159 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 87 5.883 9.659 3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 87 6.496 11.300 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.990 9.108 1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.803 10.147 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.735 10.723 1.433 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.565 11.055 5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 87 4.191 12.172 3.742 1.00 0.00 H new ATOM 0 HD13 ILE A 87 3.568 10.506 3.708 1.00 0.00 H new ATOM 1354 N LYS A 88 6.020 12.965 -0.879 1.00 0.00 N ATOM 1355 CA LYS A 88 6.915 13.427 -1.873 1.00 0.00 C ATOM 1356 C LYS A 88 6.452 14.770 -2.373 1.00 0.00 C ATOM 1357 O LYS A 88 5.840 14.861 -3.423 1.00 0.00 O ATOM 1358 CB LYS A 88 6.970 12.452 -3.046 1.00 0.00 C ATOM 1359 CG LYS A 88 6.987 10.990 -2.641 1.00 0.00 C ATOM 1360 CD LYS A 88 7.595 10.115 -3.712 1.00 0.00 C ATOM 1361 CE LYS A 88 9.134 10.117 -3.668 1.00 0.00 C ATOM 1362 NZ LYS A 88 9.763 11.442 -3.855 1.00 0.00 N ATOM 0 H LYS A 88 5.081 12.763 -1.223 1.00 0.00 H new ATOM 0 HA LYS A 88 7.910 13.508 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.109 12.628 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.860 12.664 -3.638 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.552 10.876 -1.716 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.969 10.658 -2.436 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.232 9.094 -3.593 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.262 10.459 -4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.456 9.711 -2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.505 9.443 -4.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.774 11.320 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.303 11.936 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.654 12.004 -2.986 1.00 0.00 H new ATOM 1376 N GLN A 89 6.624 15.796 -1.590 1.00 0.00 N ATOM 1377 CA GLN A 89 6.299 17.095 -2.086 1.00 0.00 C ATOM 1378 C GLN A 89 7.433 18.051 -1.811 1.00 0.00 C ATOM 1379 O GLN A 89 7.492 18.632 -0.715 1.00 0.00 O ATOM 1380 CB GLN A 89 5.058 17.678 -1.417 1.00 0.00 C ATOM 1381 CG GLN A 89 3.786 16.842 -1.525 1.00 0.00 C ATOM 1382 CD GLN A 89 2.571 17.518 -0.912 1.00 0.00 C ATOM 1383 OE1 GLN A 89 1.445 17.324 -1.366 1.00 0.00 O ATOM 1384 NE2 GLN A 89 2.774 18.304 0.118 1.00 0.00 N ATOM 0 H GLN A 89 6.977 15.760 -0.634 1.00 0.00 H new ATOM 0 HA GLN A 89 6.116 16.978 -3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.278 17.834 -0.361 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.863 18.659 -1.850 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.585 16.632 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.947 15.883 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 89 3.720 18.446 0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 89 1.986 18.773 0.564 1.00 0.00 H new ATOM 1393 N LYS A 90 8.320 18.207 -2.778 1.00 0.00 N ATOM 1394 CA LYS A 90 9.388 19.172 -2.733 1.00 0.00 C ATOM 1395 C LYS A 90 10.281 18.903 -3.920 1.00 0.00 C ATOM 1396 O LYS A 90 11.120 17.991 -3.838 1.00 0.00 O ATOM 1397 CB LYS A 90 10.243 19.118 -1.424 1.00 0.00 C ATOM 1398 CG LYS A 90 11.261 20.261 -1.246 1.00 0.00 C ATOM 1399 CD LYS A 90 10.673 21.498 -0.540 1.00 0.00 C ATOM 1400 CE LYS A 90 9.468 22.065 -1.252 1.00 0.00 C ATOM 1401 NZ LYS A 90 8.919 23.242 -0.569 1.00 0.00 N ATOM 1402 OXT LYS A 90 10.140 19.584 -4.945 1.00 0.00 O ATOM 0 H LYS A 90 8.312 17.650 -3.633 1.00 0.00 H new ATOM 0 HA LYS A 90 8.942 20.166 -2.755 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.567 19.122 -0.569 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.780 18.170 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.112 19.894 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.640 20.556 -2.224 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.393 21.230 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.441 22.268 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.745 22.336 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.697 21.298 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.094 23.595 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.629 22.980 0.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.644 23.986 -0.522 1.00 0.00 H new TER 1416 LYS A 90 ATOM 1417 N LEU B 1 18.119 -7.349 13.294 1.00 0.00 N ATOM 1418 CA LEU B 1 18.899 -7.316 12.065 1.00 0.00 C ATOM 1419 C LEU B 1 18.222 -6.400 11.054 1.00 0.00 C ATOM 1420 O LEU B 1 17.018 -6.512 10.846 1.00 0.00 O ATOM 1421 CB LEU B 1 19.035 -8.732 11.484 1.00 0.00 C ATOM 1422 CG LEU B 1 19.848 -9.728 12.318 1.00 0.00 C ATOM 1423 CD1 LEU B 1 19.781 -11.116 11.709 1.00 0.00 C ATOM 1424 CD2 LEU B 1 21.296 -9.274 12.415 1.00 0.00 C ATOM 0 H1 LEU B 1 18.641 -7.878 14.022 1.00 0.00 H new ATOM 0 H2 LEU B 1 17.951 -6.377 13.625 1.00 0.00 H new ATOM 0 H3 LEU B 1 17.207 -7.816 13.114 1.00 0.00 H new ATOM 0 HA LEU B 1 19.895 -6.933 12.286 1.00 0.00 H new ATOM 0 HB2 LEU B 1 18.035 -9.141 11.340 1.00 0.00 H new ATOM 0 HB3 LEU B 1 19.493 -8.656 10.498 1.00 0.00 H new ATOM 0 HG LEU B 1 19.419 -9.766 13.319 1.00 0.00 H new ATOM 0 HD11 LEU B 1 20.365 -11.808 12.316 1.00 0.00 H new ATOM 0 HD12 LEU B 1 18.744 -11.449 11.675 1.00 0.00 H new ATOM 0 HD13 LEU B 1 20.187 -11.090 10.698 1.00 0.00 H new ATOM 0 HD21 LEU B 1 21.863 -9.990 13.010 1.00 0.00 H new ATOM 0 HD22 LEU B 1 21.726 -9.212 11.415 1.00 0.00 H new ATOM 0 HD23 LEU B 1 21.339 -8.294 12.889 1.00 0.00 H new ATOM 1438 N PRO B 2 18.974 -5.468 10.408 1.00 0.00 N ATOM 1439 CA PRO B 2 18.437 -4.529 9.370 1.00 0.00 C ATOM 1440 C PRO B 2 18.059 -5.228 8.036 1.00 0.00 C ATOM 1441 O PRO B 2 18.187 -4.652 6.946 1.00 0.00 O ATOM 1442 CB PRO B 2 19.608 -3.562 9.137 1.00 0.00 C ATOM 1443 CG PRO B 2 20.487 -3.740 10.315 1.00 0.00 C ATOM 1444 CD PRO B 2 20.393 -5.185 10.666 1.00 0.00 C ATOM 0 HA PRO B 2 17.513 -4.058 9.705 1.00 0.00 H new ATOM 0 HB2 PRO B 2 20.135 -3.795 8.212 1.00 0.00 H new ATOM 0 HB3 PRO B 2 19.260 -2.532 9.055 1.00 0.00 H new ATOM 0 HG2 PRO B 2 21.514 -3.458 10.084 1.00 0.00 H new ATOM 0 HG3 PRO B 2 20.163 -3.112 11.145 1.00 0.00 H new ATOM 0 HD2 PRO B 2 21.050 -5.799 10.050 1.00 0.00 H new ATOM 0 HD3 PRO B 2 20.664 -5.371 11.705 1.00 0.00 H new ATOM 1452 N SER B 3 17.563 -6.426 8.145 1.00 0.00 N ATOM 1453 CA SER B 3 17.120 -7.206 7.032 1.00 0.00 C ATOM 1454 C SER B 3 15.691 -6.775 6.670 1.00 0.00 C ATOM 1455 O SER B 3 15.093 -5.974 7.412 1.00 0.00 O ATOM 1456 CB SER B 3 17.173 -8.668 7.445 1.00 0.00 C ATOM 1457 OG SER B 3 18.480 -8.973 7.927 1.00 0.00 O ATOM 0 H SER B 3 17.453 -6.900 9.041 1.00 0.00 H new ATOM 0 HA SER B 3 17.751 -7.060 6.155 1.00 0.00 H new ATOM 0 HB2 SER B 3 16.432 -8.867 8.219 1.00 0.00 H new ATOM 0 HB3 SER B 3 16.927 -9.307 6.597 1.00 0.00 H new ATOM 0 HG SER B 3 18.518 -9.915 8.196 1.00 0.00 H new ATOM 1463 N GLN B 4 15.153 -7.290 5.545 1.00 0.00 N ATOM 1464 CA GLN B 4 13.806 -6.931 5.069 1.00 0.00 C ATOM 1465 C GLN B 4 13.813 -5.444 4.731 1.00 0.00 C ATOM 1466 O GLN B 4 14.855 -4.918 4.316 1.00 0.00 O ATOM 1467 CB GLN B 4 12.749 -7.265 6.146 1.00 0.00 C ATOM 1468 CG GLN B 4 12.729 -8.734 6.526 1.00 0.00 C ATOM 1469 CD GLN B 4 11.843 -9.056 7.716 1.00 0.00 C ATOM 1470 OE1 GLN B 4 11.288 -10.148 7.803 1.00 0.00 O ATOM 1471 NE2 GLN B 4 11.712 -8.137 8.634 1.00 0.00 N ATOM 0 H GLN B 4 15.637 -7.960 4.948 1.00 0.00 H new ATOM 0 HA GLN B 4 13.544 -7.505 4.180 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.946 -6.668 7.037 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.763 -6.977 5.781 1.00 0.00 H new ATOM 0 HG2 GLN B 4 12.392 -9.315 5.668 1.00 0.00 H new ATOM 0 HG3 GLN B 4 13.747 -9.054 6.748 1.00 0.00 H new ATOM 0 HE21 GLN B 4 12.187 -7.241 8.530 1.00 0.00 H new ATOM 0 HE22 GLN B 4 11.134 -8.315 9.455 1.00 0.00 H new ATOM 1480 N ALA B 5 12.694 -4.779 4.828 1.00 0.00 N ATOM 1481 CA ALA B 5 12.705 -3.370 4.616 1.00 0.00 C ATOM 1482 C ALA B 5 12.999 -2.724 5.943 1.00 0.00 C ATOM 1483 O ALA B 5 12.620 -3.267 6.996 1.00 0.00 O ATOM 1484 CB ALA B 5 11.385 -2.888 4.041 1.00 0.00 C ATOM 0 H ALA B 5 11.785 -5.185 5.048 1.00 0.00 H new ATOM 0 HA ALA B 5 13.468 -3.099 3.886 1.00 0.00 H new ATOM 0 HB1 ALA B 5 11.426 -1.809 3.891 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.203 -3.381 3.086 1.00 0.00 H new ATOM 0 HB3 ALA B 5 10.578 -3.128 4.733 1.00 0.00 H new ATOM 1490 N MET B 6 13.724 -1.631 5.928 1.00 0.00 N ATOM 1491 CA MET B 6 14.028 -0.941 7.161 1.00 0.00 C ATOM 1492 C MET B 6 12.758 -0.411 7.790 1.00 0.00 C ATOM 1493 O MET B 6 11.865 0.073 7.099 1.00 0.00 O ATOM 1494 CB MET B 6 15.082 0.146 6.979 1.00 0.00 C ATOM 1495 CG MET B 6 16.477 -0.401 6.708 1.00 0.00 C ATOM 1496 SD MET B 6 17.713 0.899 6.538 1.00 0.00 S ATOM 1497 CE MET B 6 19.209 -0.078 6.380 1.00 0.00 C ATOM 0 H MET B 6 14.111 -1.203 5.087 1.00 0.00 H new ATOM 0 HA MET B 6 14.470 -1.663 7.847 1.00 0.00 H new ATOM 0 HB2 MET B 6 14.787 0.793 6.153 1.00 0.00 H new ATOM 0 HB3 MET B 6 15.111 0.767 7.875 1.00 0.00 H new ATOM 0 HG2 MET B 6 16.766 -1.067 7.521 1.00 0.00 H new ATOM 0 HG3 MET B 6 16.458 -0.999 5.797 1.00 0.00 H new ATOM 0 HE1 MET B 6 20.066 0.585 6.267 1.00 0.00 H new ATOM 0 HE2 MET B 6 19.340 -0.690 7.272 1.00 0.00 H new ATOM 0 HE3 MET B 6 19.131 -0.723 5.505 1.00 0.00 H new ATOM 1507 N ASP B 7 12.679 -0.484 9.084 1.00 0.00 N ATOM 1508 CA ASP B 7 11.437 -0.203 9.793 1.00 0.00 C ATOM 1509 C ASP B 7 11.130 1.300 9.954 1.00 0.00 C ATOM 1510 O ASP B 7 10.201 1.694 10.658 1.00 0.00 O ATOM 1511 CB ASP B 7 11.379 -0.968 11.119 1.00 0.00 C ATOM 1512 CG ASP B 7 12.258 -0.411 12.210 1.00 0.00 C ATOM 1513 OD1 ASP B 7 13.510 -0.411 12.079 1.00 0.00 O ATOM 1514 OD2 ASP B 7 11.719 0.009 13.247 1.00 0.00 O ATOM 0 H ASP B 7 13.461 -0.737 9.688 1.00 0.00 H new ATOM 0 HA ASP B 7 10.631 -0.573 9.159 1.00 0.00 H new ATOM 0 HB2 ASP B 7 10.348 -0.977 11.472 1.00 0.00 H new ATOM 0 HB3 ASP B 7 11.663 -2.005 10.937 1.00 0.00 H new ATOM 1519 N ASP B 8 11.917 2.135 9.305 1.00 0.00 N ATOM 1520 CA ASP B 8 11.594 3.576 9.200 1.00 0.00 C ATOM 1521 C ASP B 8 10.835 3.813 7.904 1.00 0.00 C ATOM 1522 O ASP B 8 10.153 4.815 7.706 1.00 0.00 O ATOM 1523 CB ASP B 8 12.842 4.466 9.261 1.00 0.00 C ATOM 1524 CG ASP B 8 13.480 4.508 10.634 1.00 0.00 C ATOM 1525 OD1 ASP B 8 13.085 5.353 11.461 1.00 0.00 O ATOM 1526 OD2 ASP B 8 14.393 3.698 10.911 1.00 0.00 O ATOM 0 H ASP B 8 12.782 1.860 8.840 1.00 0.00 H new ATOM 0 HA ASP B 8 10.979 3.850 10.057 1.00 0.00 H new ATOM 0 HB2 ASP B 8 13.574 4.104 8.539 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.573 5.479 8.962 1.00 0.00 H new ATOM 1531 N LEU B 9 10.962 2.848 7.042 1.00 0.00 N ATOM 1532 CA LEU B 9 10.306 2.792 5.752 1.00 0.00 C ATOM 1533 C LEU B 9 9.018 2.094 5.959 1.00 0.00 C ATOM 1534 O LEU B 9 7.946 2.630 5.758 1.00 0.00 O ATOM 1535 CB LEU B 9 11.185 1.933 4.803 1.00 0.00 C ATOM 1536 CG LEU B 9 12.658 2.294 4.742 1.00 0.00 C ATOM 1537 CD1 LEU B 9 13.373 1.470 3.685 1.00 0.00 C ATOM 1538 CD2 LEU B 9 12.801 3.760 4.487 1.00 0.00 C ATOM 0 H LEU B 9 11.552 2.035 7.220 1.00 0.00 H new ATOM 0 HA LEU B 9 10.156 3.786 5.329 1.00 0.00 H new ATOM 0 HB2 LEU B 9 11.100 0.890 5.109 1.00 0.00 H new ATOM 0 HB3 LEU B 9 10.773 2.005 3.796 1.00 0.00 H new ATOM 0 HG LEU B 9 13.126 2.062 5.699 1.00 0.00 H new ATOM 0 HD11 LEU B 9 14.427 1.746 3.660 1.00 0.00 H new ATOM 0 HD12 LEU B 9 13.281 0.411 3.926 1.00 0.00 H new ATOM 0 HD13 LEU B 9 12.925 1.661 2.710 1.00 0.00 H new ATOM 0 HD21 LEU B 9 13.859 4.020 4.443 1.00 0.00 H new ATOM 0 HD22 LEU B 9 12.325 4.013 3.539 1.00 0.00 H new ATOM 0 HD23 LEU B 9 12.323 4.318 5.293 1.00 0.00 H new ATOM 1550 N MET B 10 9.161 0.957 6.453 1.00 0.00 N ATOM 1551 CA MET B 10 8.110 -0.009 6.573 1.00 0.00 C ATOM 1552 C MET B 10 7.711 -0.326 8.042 1.00 0.00 C ATOM 1553 O MET B 10 8.573 -0.601 8.874 1.00 0.00 O ATOM 1554 CB MET B 10 8.676 -1.267 5.939 1.00 0.00 C ATOM 1555 CG MET B 10 7.826 -2.488 6.081 1.00 0.00 C ATOM 1556 SD MET B 10 8.793 -4.017 6.172 1.00 0.00 S ATOM 1557 CE MET B 10 9.541 -3.836 7.793 1.00 0.00 C ATOM 0 H MET B 10 10.055 0.624 6.815 1.00 0.00 H new ATOM 0 HA MET B 10 7.205 0.373 6.101 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.839 -1.078 4.878 1.00 0.00 H new ATOM 0 HB3 MET B 10 9.652 -1.470 6.380 1.00 0.00 H new ATOM 0 HG2 MET B 10 7.216 -2.397 6.979 1.00 0.00 H new ATOM 0 HG3 MET B 10 7.141 -2.548 5.235 1.00 0.00 H new ATOM 0 HE1 MET B 10 10.009 -4.776 8.085 1.00 0.00 H new ATOM 0 HE2 MET B 10 10.295 -3.050 7.760 1.00 0.00 H new ATOM 0 HE3 MET B 10 8.773 -3.572 8.520 1.00 0.00 H new ATOM 1567 N LEU B 11 6.404 -0.254 8.351 1.00 0.00 N ATOM 1568 CA LEU B 11 5.882 -0.845 9.643 1.00 0.00 C ATOM 1569 C LEU B 11 5.647 -2.352 9.435 1.00 0.00 C ATOM 1570 O LEU B 11 6.157 -2.891 8.482 1.00 0.00 O ATOM 1571 CB LEU B 11 4.570 -0.197 10.088 1.00 0.00 C ATOM 1572 CG LEU B 11 4.633 1.252 10.486 1.00 0.00 C ATOM 1573 CD1 LEU B 11 3.319 1.695 10.990 1.00 0.00 C ATOM 1574 CD2 LEU B 11 5.756 1.549 11.458 1.00 0.00 C ATOM 0 H LEU B 11 5.696 0.186 7.763 1.00 0.00 H new ATOM 0 HA LEU B 11 6.624 -0.661 10.420 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.849 -0.296 9.276 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.179 -0.765 10.932 1.00 0.00 H new ATOM 0 HG LEU B 11 4.870 1.832 9.594 1.00 0.00 H new ATOM 0 HD11 LEU B 11 3.374 2.745 11.276 1.00 0.00 H new ATOM 0 HD12 LEU B 11 2.569 1.570 10.209 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.042 1.097 11.858 1.00 0.00 H new ATOM 0 HD21 LEU B 11 5.750 2.610 11.708 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.616 0.962 12.366 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.711 1.289 11.001 1.00 0.00 H new ATOM 1586 N SER B 12 4.916 -3.047 10.336 1.00 0.00 N ATOM 1587 CA SER B 12 4.582 -4.444 10.082 1.00 0.00 C ATOM 1588 C SER B 12 3.863 -4.595 8.725 1.00 0.00 C ATOM 1589 O SER B 12 2.767 -4.052 8.522 1.00 0.00 O ATOM 1590 CB SER B 12 3.761 -5.030 11.216 1.00 0.00 C ATOM 1591 OG SER B 12 2.754 -4.125 11.623 1.00 0.00 O ATOM 0 H SER B 12 4.561 -2.668 11.214 1.00 0.00 H new ATOM 0 HA SER B 12 5.512 -5.010 10.032 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.307 -5.968 10.896 1.00 0.00 H new ATOM 0 HB3 SER B 12 4.411 -5.262 12.060 1.00 0.00 H new ATOM 0 HG SER B 12 2.234 -4.521 12.354 1.00 0.00 H new ATOM 1597 N PRO B 13 4.493 -5.324 7.791 1.00 0.00 N ATOM 1598 CA PRO B 13 4.021 -5.450 6.403 1.00 0.00 C ATOM 1599 C PRO B 13 2.677 -6.118 6.277 1.00 0.00 C ATOM 1600 O PRO B 13 1.835 -5.753 5.432 1.00 0.00 O ATOM 1601 CB PRO B 13 5.069 -6.342 5.741 1.00 0.00 C ATOM 1602 CG PRO B 13 6.226 -6.437 6.662 1.00 0.00 C ATOM 1603 CD PRO B 13 5.744 -6.084 8.023 1.00 0.00 C ATOM 0 HA PRO B 13 3.901 -4.463 5.956 1.00 0.00 H new ATOM 0 HB2 PRO B 13 4.658 -7.331 5.540 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.376 -5.924 4.782 1.00 0.00 H new ATOM 0 HG2 PRO B 13 6.642 -7.444 6.652 1.00 0.00 H new ATOM 0 HG3 PRO B 13 7.021 -5.760 6.349 1.00 0.00 H new ATOM 0 HD2 PRO B 13 5.561 -6.976 8.622 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.478 -5.484 8.560 1.00 0.00 H new ATOM 1611 N ASP B 14 2.472 -6.998 7.193 1.00 0.00 N ATOM 1612 CA ASP B 14 1.395 -7.979 7.206 1.00 0.00 C ATOM 1613 C ASP B 14 -0.011 -7.395 7.061 1.00 0.00 C ATOM 1614 O ASP B 14 -0.913 -8.052 6.555 1.00 0.00 O ATOM 1615 CB ASP B 14 1.518 -8.793 8.485 1.00 0.00 C ATOM 1616 CG ASP B 14 0.408 -9.785 8.692 1.00 0.00 C ATOM 1617 OD1 ASP B 14 0.377 -10.812 7.998 1.00 0.00 O ATOM 1618 OD2 ASP B 14 -0.444 -9.564 9.579 1.00 0.00 O ATOM 0 H ASP B 14 3.077 -7.073 8.011 1.00 0.00 H new ATOM 0 HA ASP B 14 1.514 -8.604 6.321 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.469 -9.326 8.474 1.00 0.00 H new ATOM 0 HB3 ASP B 14 1.545 -8.111 9.335 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.189 -6.175 7.462 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.510 -5.589 7.468 1.00 0.00 C ATOM 1625 C ASP B 15 -2.083 -5.196 6.130 1.00 0.00 C ATOM 1626 O ASP B 15 -3.235 -5.486 5.866 1.00 0.00 O ATOM 1627 CB ASP B 15 -1.686 -4.514 8.521 1.00 0.00 C ATOM 1628 CG ASP B 15 -1.745 -5.082 9.919 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -0.686 -5.364 10.512 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -2.850 -5.245 10.454 1.00 0.00 O ATOM 0 H ASP B 15 0.556 -5.560 7.790 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.134 -6.433 7.762 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -0.861 -3.805 8.454 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -2.601 -3.958 8.319 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.309 -4.590 5.256 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.838 -4.093 4.021 1.00 0.00 C ATOM 1637 C ILE B 16 -2.049 -5.198 3.078 1.00 0.00 C ATOM 1638 O ILE B 16 -2.877 -5.171 2.220 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.021 -2.931 3.474 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.445 -2.963 3.958 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.686 -1.655 3.895 1.00 0.00 C ATOM 1642 CD1 ILE B 16 0.589 -2.415 5.335 1.00 0.00 C ATOM 0 H ILE B 16 -0.309 -4.433 5.386 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.822 -3.659 4.201 1.00 0.00 H new ATOM 0 HB ILE B 16 -0.986 -3.007 2.387 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.812 -3.989 3.936 1.00 0.00 H new ATOM 0 HG13 ILE B 16 1.066 -2.387 3.272 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -1.118 -0.806 3.514 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.699 -1.623 3.494 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.725 -1.607 4.983 1.00 0.00 H new ATOM 0 HD11 ILE B 16 1.636 -2.457 5.636 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.247 -1.380 5.352 1.00 0.00 H new ATOM 0 HD13 ILE B 16 -0.011 -3.007 6.027 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.281 -6.136 3.310 1.00 0.00 N ATOM 1655 CA GLU B 17 -1.377 -7.484 2.794 1.00 0.00 C ATOM 1656 C GLU B 17 -2.776 -8.090 3.059 1.00 0.00 C ATOM 1657 O GLU B 17 -3.304 -8.852 2.261 1.00 0.00 O ATOM 1658 CB GLU B 17 -0.326 -8.390 3.426 1.00 0.00 C ATOM 1659 CG GLU B 17 1.115 -8.025 3.138 1.00 0.00 C ATOM 1660 CD GLU B 17 2.078 -8.969 3.824 1.00 0.00 C ATOM 1661 OE1 GLU B 17 1.842 -10.201 3.803 1.00 0.00 O ATOM 1662 OE2 GLU B 17 3.069 -8.528 4.388 1.00 0.00 O ATOM 0 H GLU B 17 -0.473 -6.019 3.921 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.208 -7.422 1.719 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -0.473 -8.388 4.506 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -0.499 -9.410 3.083 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.288 -8.047 2.062 1.00 0.00 H new ATOM 0 HG3 GLU B 17 1.306 -7.005 3.471 1.00 0.00 H new ATOM 1669 N GLN B 18 -3.394 -7.734 4.150 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.709 -8.265 4.419 1.00 0.00 C ATOM 1671 C GLN B 18 -5.707 -7.553 3.520 1.00 0.00 C ATOM 1672 O GLN B 18 -6.728 -8.112 3.063 1.00 0.00 O ATOM 1673 CB GLN B 18 -5.104 -8.075 5.882 1.00 0.00 C ATOM 1674 CG GLN B 18 -4.072 -8.571 6.873 1.00 0.00 C ATOM 1675 CD GLN B 18 -3.756 -10.045 6.730 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -4.606 -10.844 6.349 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -2.540 -10.411 7.010 1.00 0.00 N ATOM 0 H GLN B 18 -3.024 -7.095 4.854 1.00 0.00 H new ATOM 0 HA GLN B 18 -4.704 -9.336 4.218 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -5.285 -7.016 6.063 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -6.045 -8.595 6.063 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -3.154 -7.997 6.747 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -4.431 -8.381 7.885 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -1.859 -9.720 7.324 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -2.267 -11.389 6.915 1.00 0.00 H new ATOM 1686 N TRP B 19 -5.361 -6.349 3.184 1.00 0.00 N ATOM 1687 CA TRP B 19 -6.228 -5.550 2.424 1.00 0.00 C ATOM 1688 C TRP B 19 -5.948 -5.825 0.941 1.00 0.00 C ATOM 1689 O TRP B 19 -6.810 -5.705 0.095 1.00 0.00 O ATOM 1690 CB TRP B 19 -6.141 -4.062 2.885 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.434 -3.965 4.375 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -7.515 -4.462 5.013 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -5.646 -3.356 5.398 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -7.409 -4.311 6.340 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -6.286 -3.618 6.616 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -4.469 -2.652 5.415 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -5.775 -3.207 7.827 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -3.959 -2.235 6.624 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -4.612 -2.523 7.817 1.00 0.00 C ATOM 0 H TRP B 19 -4.475 -5.909 3.433 1.00 0.00 H new ATOM 0 HA TRP B 19 -7.277 -5.801 2.583 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -5.149 -3.664 2.674 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.853 -3.456 2.325 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -8.357 -4.922 4.517 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -8.072 -4.664 7.031 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -3.950 -2.428 4.494 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -6.287 -3.425 8.753 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -3.036 -1.675 6.646 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -4.181 -2.194 8.751 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.730 -6.245 0.678 1.00 0.00 N ATOM 1711 CA PHE B 20 -4.309 -6.742 -0.601 1.00 0.00 C ATOM 1712 C PHE B 20 -5.035 -8.035 -0.921 1.00 0.00 C ATOM 1713 O PHE B 20 -5.590 -8.176 -2.003 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.746 -6.824 -0.663 1.00 0.00 C ATOM 1715 CG PHE B 20 -2.091 -8.133 -1.049 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -1.755 -9.010 -0.071 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.756 -8.436 -2.352 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -1.100 -10.185 -0.351 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -1.088 -9.603 -2.657 1.00 0.00 C ATOM 1720 CZ PHE B 20 -0.759 -10.483 -1.648 1.00 0.00 C ATOM 0 H PHE B 20 -3.986 -6.247 1.375 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.589 -6.050 -1.395 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -2.405 -6.066 -1.368 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -2.363 -6.542 0.318 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -2.008 -8.779 0.953 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -2.020 -7.750 -3.144 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -0.854 -10.872 0.446 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -0.824 -9.826 -3.680 1.00 0.00 H new ATOM 0 HZ PHE B 20 -0.237 -11.400 -1.876 1.00 0.00 H new ATOM 1730 N THR B 21 -5.030 -8.985 -0.003 1.00 0.00 N ATOM 1731 CA THR B 21 -5.827 -10.133 -0.190 1.00 0.00 C ATOM 1732 C THR B 21 -6.284 -10.797 1.103 1.00 0.00 C ATOM 1733 O THR B 21 -5.573 -11.558 1.753 1.00 0.00 O ATOM 1734 CB THR B 21 -5.265 -11.157 -1.214 1.00 0.00 C ATOM 1735 OG1 THR B 21 -6.199 -12.240 -1.427 1.00 0.00 O ATOM 1736 CG2 THR B 21 -4.023 -11.707 -0.705 1.00 0.00 C ATOM 0 H THR B 21 -4.484 -8.965 0.859 1.00 0.00 H new ATOM 0 HA THR B 21 -6.728 -9.730 -0.653 1.00 0.00 H new ATOM 0 HB THR B 21 -5.099 -10.643 -2.160 1.00 0.00 H new ATOM 0 HG1 THR B 21 -5.825 -12.872 -2.076 1.00 0.00 H new ATOM 0 HG21 THR B 21 -3.624 -12.427 -1.420 1.00 0.00 H new ATOM 0 HG22 THR B 21 -3.302 -10.903 -0.559 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.209 -12.205 0.246 1.00 0.00 H new ATOM 1744 N GLU B 22 -7.414 -10.428 1.512 1.00 0.00 N ATOM 1745 CA GLU B 22 -8.162 -11.253 2.378 1.00 0.00 C ATOM 1746 C GLU B 22 -9.235 -11.864 1.572 1.00 0.00 C ATOM 1747 O GLU B 22 -10.197 -11.194 1.173 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.703 -10.570 3.587 1.00 0.00 C ATOM 1749 CG GLU B 22 -7.736 -10.550 4.729 1.00 0.00 C ATOM 1750 CD GLU B 22 -7.525 -11.923 5.294 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -8.310 -12.336 6.167 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -6.610 -12.625 4.862 1.00 0.00 O ATOM 0 H GLU B 22 -7.861 -9.545 1.264 1.00 0.00 H new ATOM 0 HA GLU B 22 -7.492 -12.005 2.795 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.973 -9.546 3.329 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -9.618 -11.071 3.902 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.782 -10.143 4.393 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -8.108 -9.887 5.510 1.00 0.00 H new ATOM 1759 N ASP B 23 -9.018 -13.092 1.296 1.00 0.00 N ATOM 1760 CA ASP B 23 -9.846 -13.907 0.414 1.00 0.00 C ATOM 1761 C ASP B 23 -11.262 -14.040 0.940 1.00 0.00 C ATOM 1762 O ASP B 23 -11.490 -14.619 2.008 1.00 0.00 O ATOM 1763 CB ASP B 23 -9.217 -15.284 0.239 1.00 0.00 C ATOM 1764 CG ASP B 23 -10.027 -16.204 -0.638 1.00 0.00 C ATOM 1765 OD1 ASP B 23 -10.092 -15.989 -1.870 1.00 0.00 O ATOM 1766 OD2 ASP B 23 -10.618 -17.169 -0.110 1.00 0.00 O ATOM 0 H ASP B 23 -8.227 -13.606 1.684 1.00 0.00 H new ATOM 0 HA ASP B 23 -9.900 -13.407 -0.553 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -8.221 -15.169 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -9.091 -15.745 1.219 1.00 0.00 H new ATOM 1771 N PRO B 24 -12.225 -13.461 0.244 1.00 0.00 N ATOM 1772 CA PRO B 24 -13.611 -13.524 0.640 1.00 0.00 C ATOM 1773 C PRO B 24 -14.293 -14.799 0.138 1.00 0.00 C ATOM 1774 O PRO B 24 -13.877 -15.416 -0.858 1.00 0.00 O ATOM 1775 CB PRO B 24 -14.204 -12.291 -0.029 1.00 0.00 C ATOM 1776 CG PRO B 24 -13.443 -12.170 -1.296 1.00 0.00 C ATOM 1777 CD PRO B 24 -12.049 -12.667 -1.004 1.00 0.00 C ATOM 0 HA PRO B 24 -13.742 -13.545 1.722 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -15.271 -12.412 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -14.087 -11.404 0.593 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -13.908 -12.759 -2.086 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -13.423 -11.136 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -11.661 -13.278 -1.819 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -11.349 -11.843 -0.862 1.00 0.00 H new ATOM 1785 N GLY B 25 -15.309 -15.178 0.816 1.00 0.00 N ATOM 1786 CA GLY B 25 -16.061 -16.339 0.460 1.00 0.00 C ATOM 1787 C GLY B 25 -17.473 -15.941 0.193 1.00 0.00 C ATOM 1788 O GLY B 25 -17.925 -14.949 0.802 1.00 0.00 O ATOM 1789 OXT GLY B 25 -18.152 -16.579 -0.629 1.00 0.00 O ATOM 0 H GLY B 25 -15.653 -14.692 1.644 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -15.630 -16.811 -0.423 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -16.023 -17.073 1.265 1.00 0.00 H new TER 1793 GLY B 25