USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 HIS : +bothHN:sc= -0.406 K(o=2.9,f=0.91) USER MOD Set 1.2: A 77 CYS SG : rot -173:sc= 0.0466 USER MOD Set 1.3: A 82 CYS SG : rot 28:sc= 2.21 USER MOD Set 1.4: A 85 CYS SG : rot 111:sc= 1 USER MOD Set 2.1: A 66 SER OG : rot 81:sc= 0.939 USER MOD Set 2.2: B 123 CYS SG : rot 81:sc= 0.212 USER MOD Set 3.1: A 12 GLN : amide:sc= 0.408 K(o=1,f=-0.014) USER MOD Set 3.2: A 43 MET CE :methyl 166:sc=-0.00848 (180deg=-0.0323) USER MOD Set 3.3: A 63 HIS : no HD1:sc= 0.65 K(o=1,f=-4.8!) USER MOD Set 4.1: A 49 HIS :FLIP no HD1:sc= -0.123 F(o=0.41,f=2.8) USER MOD Set 4.2: A 53 CYS SG : rot -171:sc= 1.25 USER MOD Set 4.3: A 59 CYS SG : rot -146:sc= 0.121 USER MOD Set 4.4: A 64 CYS SG : rot 111:sc= 1.52 USER MOD Set 5.1: A 48 ASN : amide:sc= 0.429 K(o=0.64,f=-0.88) USER MOD Set 5.2: A 52 HIS : no HD1:sc= 0.214 K(o=0.64,f=-2.9!) USER MOD Set 6.1: A 39 HIS : no HD1:sc= 0.764 K(o=1.7,f=-4.2!) USER MOD Set 6.2: A 42 THR OG1 : rot 152:sc= 0.888 USER MOD Set 7.1: A 18 HIS :FLIP no HD1:sc= -0.538 F(o=2.3,f=4.6) USER MOD Set 7.2: A 22 CYS SG : rot -161:sc= 1.39 USER MOD Set 7.3: A 40 CYS SG : rot 106:sc= 1.01 USER MOD Set 7.4: A 44 LYS NZ :NH3+ 148:sc= 2.76 (180deg=0.0306) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0728 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.16) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 11 GLN : amide:sc= 0.212 X(o=0.21,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.978 K(o=0.98,f=0) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.331 (180deg=-0.351) USER MOD Single : A 51 THR OG1 : rot 45:sc= 0.935 USER MOD Single : A 54 GLN : amide:sc= 0.904 K(o=0.9,f=-0.035) USER MOD Single : A 57 LYS NZ :NH3+ 171:sc= 1.13 (180deg=0.846) USER MOD Single : A 60 GLN : amide:sc= 0.746 K(o=0.75,f=-0.024) USER MOD Single : A 67 SER OG : rot -76:sc= 1.19 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.49 F(o=-1.3!,f=-0.49) USER MOD Single : A 72 SER OG : rot 87:sc= 1.89 USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 1.11 (180deg=0.849) USER MOD Single : A 76 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 78 THR OG1 : rot -41:sc= 0.0831 USER MOD Single : A 80 HIS : no HD1:sc= -0.0964 X(o=-0.096,f=-0.096) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.151 USER MOD Single : B 120 SER OG : rot 180:sc= 0.0167 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 126 ASN : amide:sc= 1.85 K(o=1.9,f=-4.4!) USER MOD Single : B 130 GLN : amide:sc= 0.488 K(o=0.49,f=-3!) USER MOD Single : B 137 GLN : amide:sc= 0.35 K(o=0.35,f=-5.4!) USER MOD Single : B 147 GLN : amide:sc= 1.45 K(o=1.5,f=-0.13) USER MOD Single : B 149 ASN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 6.613 -12.605 15.640 1.00 0.00 N ATOM 2 CA ALA A 1 5.883 -11.336 15.401 1.00 0.00 C ATOM 3 C ALA A 1 5.951 -10.424 16.634 1.00 0.00 C ATOM 4 O ALA A 1 6.177 -10.890 17.753 1.00 0.00 O ATOM 5 CB ALA A 1 4.428 -11.599 14.975 1.00 0.00 C ATOM 0 H1 ALA A 1 6.040 -13.404 15.302 1.00 0.00 H new ATOM 0 H2 ALA A 1 7.518 -12.587 15.127 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.794 -12.715 16.658 1.00 0.00 H new ATOM 0 HA ALA A 1 6.373 -10.818 14.577 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.920 -10.649 14.808 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.418 -12.183 14.055 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.913 -12.152 15.761 1.00 0.00 H new ATOM 13 N ASP A 2 5.758 -9.117 16.441 1.00 0.00 N ATOM 14 CA ASP A 2 5.786 -8.069 17.469 1.00 0.00 C ATOM 15 C ASP A 2 4.687 -7.013 17.194 1.00 0.00 C ATOM 16 O ASP A 2 4.502 -6.622 16.035 1.00 0.00 O ATOM 17 CB ASP A 2 7.185 -7.434 17.473 1.00 0.00 C ATOM 18 CG ASP A 2 7.366 -6.440 18.629 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.892 -5.289 18.504 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.969 -6.815 19.663 1.00 0.00 O ATOM 0 H ASP A 2 5.567 -8.739 15.513 1.00 0.00 H new ATOM 0 HA ASP A 2 5.582 -8.497 18.451 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.938 -8.218 17.549 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.353 -6.922 16.526 1.00 0.00 H new ATOM 25 N PRO A 3 3.943 -6.534 18.213 1.00 0.00 N ATOM 26 CA PRO A 3 2.872 -5.555 18.025 1.00 0.00 C ATOM 27 C PRO A 3 3.349 -4.245 17.383 1.00 0.00 C ATOM 28 O PRO A 3 2.686 -3.738 16.481 1.00 0.00 O ATOM 29 CB PRO A 3 2.229 -5.351 19.400 1.00 0.00 C ATOM 30 CG PRO A 3 3.317 -5.784 20.381 1.00 0.00 C ATOM 31 CD PRO A 3 4.041 -6.894 19.622 1.00 0.00 C ATOM 0 HA PRO A 3 2.139 -5.929 17.310 1.00 0.00 H new ATOM 0 HB2 PRO A 3 1.941 -4.311 19.556 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.327 -5.952 19.513 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.987 -4.961 20.629 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.895 -6.145 21.319 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.082 -6.969 19.936 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.580 -7.863 19.812 1.00 0.00 H new ATOM 39 N GLU A 4 4.497 -3.693 17.788 1.00 0.00 N ATOM 40 CA GLU A 4 5.047 -2.464 17.199 1.00 0.00 C ATOM 41 C GLU A 4 5.375 -2.641 15.711 1.00 0.00 C ATOM 42 O GLU A 4 5.039 -1.769 14.911 1.00 0.00 O ATOM 43 CB GLU A 4 6.232 -1.949 18.020 1.00 0.00 C ATOM 44 CG GLU A 4 6.718 -0.571 17.552 1.00 0.00 C ATOM 45 CD GLU A 4 7.819 -0.032 18.486 1.00 0.00 C ATOM 46 OE1 GLU A 4 7.491 0.647 19.490 1.00 0.00 O ATOM 47 OE2 GLU A 4 9.022 -0.277 18.223 1.00 0.00 O ATOM 0 H GLU A 4 5.073 -4.084 18.534 1.00 0.00 H new ATOM 0 HA GLU A 4 4.278 -1.693 17.240 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.945 -1.892 19.070 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.053 -2.662 17.953 1.00 0.00 H new ATOM 0 HG2 GLU A 4 7.101 -0.642 16.534 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.881 0.126 17.529 1.00 0.00 H new ATOM 54 N LYS A 5 5.953 -3.779 15.302 1.00 0.00 N ATOM 55 CA LYS A 5 6.176 -4.074 13.872 1.00 0.00 C ATOM 56 C LYS A 5 4.853 -4.045 13.097 1.00 0.00 C ATOM 57 O LYS A 5 4.822 -3.525 11.983 1.00 0.00 O ATOM 58 CB LYS A 5 6.932 -5.390 13.650 1.00 0.00 C ATOM 59 CG LYS A 5 8.403 -5.285 14.079 1.00 0.00 C ATOM 60 CD LYS A 5 9.160 -6.578 13.747 1.00 0.00 C ATOM 61 CE LYS A 5 10.648 -6.417 14.074 1.00 0.00 C ATOM 62 NZ LYS A 5 11.419 -7.636 13.715 1.00 0.00 N ATOM 0 H LYS A 5 6.275 -4.511 15.936 1.00 0.00 H new ATOM 0 HA LYS A 5 6.818 -3.286 13.480 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.446 -6.187 14.212 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.880 -5.665 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.875 -4.442 13.574 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.461 -5.089 15.150 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.743 -7.409 14.316 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.036 -6.820 12.692 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.050 -5.559 13.535 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.768 -6.209 15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.434 -7.458 13.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.120 -8.427 14.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.243 -7.877 12.719 1.00 0.00 H new ATOM 76 N ARG A 6 3.747 -4.525 13.682 1.00 0.00 N ATOM 77 CA ARG A 6 2.409 -4.445 13.065 1.00 0.00 C ATOM 78 C ARG A 6 1.969 -2.980 12.919 1.00 0.00 C ATOM 79 O ARG A 6 1.536 -2.603 11.834 1.00 0.00 O ATOM 80 CB ARG A 6 1.396 -5.342 13.796 1.00 0.00 C ATOM 81 CG ARG A 6 0.106 -5.503 12.972 1.00 0.00 C ATOM 82 CD ARG A 6 -0.837 -6.561 13.559 1.00 0.00 C ATOM 83 NE ARG A 6 -0.350 -7.936 13.315 1.00 0.00 N ATOM 84 CZ ARG A 6 -0.762 -9.046 13.899 1.00 0.00 C ATOM 85 NH1 ARG A 6 -1.666 -9.053 14.837 1.00 0.00 N ATOM 86 NH2 ARG A 6 -0.263 -10.191 13.536 1.00 0.00 N ATOM 0 H ARG A 6 3.751 -4.980 14.595 1.00 0.00 H new ATOM 0 HA ARG A 6 2.458 -4.846 12.052 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.838 -6.321 13.980 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.159 -4.911 14.769 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.412 -4.545 12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.364 -5.778 11.949 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.941 -6.399 14.632 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.829 -6.445 13.122 1.00 0.00 H new ATOM 0 HE ARG A 6 0.387 -8.038 12.617 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.085 -8.177 15.148 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.954 -9.935 15.261 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.444 -10.229 12.802 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.579 -11.050 13.985 1.00 0.00 H new ATOM 100 N LYS A 7 2.144 -2.136 13.948 1.00 0.00 N ATOM 101 CA LYS A 7 1.879 -0.674 13.898 1.00 0.00 C ATOM 102 C LYS A 7 2.663 -0.006 12.758 1.00 0.00 C ATOM 103 O LYS A 7 2.104 0.767 11.979 1.00 0.00 O ATOM 104 CB LYS A 7 2.211 0.015 15.236 1.00 0.00 C ATOM 105 CG LYS A 7 1.412 -0.519 16.433 1.00 0.00 C ATOM 106 CD LYS A 7 1.901 0.126 17.737 1.00 0.00 C ATOM 107 CE LYS A 7 1.171 -0.414 18.976 1.00 0.00 C ATOM 108 NZ LYS A 7 -0.254 0.011 19.027 1.00 0.00 N ATOM 0 H LYS A 7 2.480 -2.448 14.859 1.00 0.00 H new ATOM 0 HA LYS A 7 0.812 -0.554 13.709 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.275 -0.106 15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.025 1.084 15.137 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.352 -0.310 16.292 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.518 -1.602 16.494 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.971 -0.050 17.846 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.760 1.205 17.679 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.223 -1.503 18.978 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.682 -0.069 19.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.702 -0.379 19.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.306 1.049 19.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.751 -0.340 18.184 1.00 0.00 H new ATOM 122 N LEU A 8 3.956 -0.318 12.647 1.00 0.00 N ATOM 123 CA LEU A 8 4.863 0.153 11.593 1.00 0.00 C ATOM 124 C LEU A 8 4.354 -0.259 10.195 1.00 0.00 C ATOM 125 O LEU A 8 4.284 0.575 9.293 1.00 0.00 O ATOM 126 CB LEU A 8 6.290 -0.354 11.885 1.00 0.00 C ATOM 127 CG LEU A 8 6.976 0.293 13.108 1.00 0.00 C ATOM 128 CD1 LEU A 8 8.343 -0.357 13.327 1.00 0.00 C ATOM 129 CD2 LEU A 8 7.176 1.802 12.952 1.00 0.00 C ATOM 0 H LEU A 8 4.421 -0.931 13.316 1.00 0.00 H new ATOM 0 HA LEU A 8 4.889 1.243 11.591 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.252 -1.433 12.037 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.909 -0.178 11.005 1.00 0.00 H new ATOM 0 HG LEU A 8 6.317 0.131 13.961 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.829 0.099 14.190 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.214 -1.425 13.505 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.962 -0.209 12.442 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.662 2.199 13.843 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.800 1.998 12.080 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.208 2.286 12.821 1.00 0.00 H new ATOM 141 N ILE A 9 3.961 -1.525 10.018 1.00 0.00 N ATOM 142 CA ILE A 9 3.362 -2.062 8.781 1.00 0.00 C ATOM 143 C ILE A 9 2.066 -1.296 8.446 1.00 0.00 C ATOM 144 O ILE A 9 1.932 -0.787 7.333 1.00 0.00 O ATOM 145 CB ILE A 9 3.160 -3.593 8.905 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.534 -4.302 8.847 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.256 -4.160 7.799 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.511 -5.736 9.385 1.00 0.00 C ATOM 0 H ILE A 9 4.052 -2.229 10.750 1.00 0.00 H new ATOM 0 HA ILE A 9 4.039 -1.909 7.941 1.00 0.00 H new ATOM 0 HB ILE A 9 2.669 -3.777 9.861 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.882 -4.317 7.814 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.257 -3.721 9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.148 -5.236 7.933 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.275 -3.687 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.703 -3.959 6.825 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.509 -6.168 9.312 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.194 -5.728 10.428 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.813 -6.334 8.798 1.00 0.00 H new ATOM 160 N GLN A 10 1.131 -1.187 9.400 1.00 0.00 N ATOM 161 CA GLN A 10 -0.147 -0.468 9.295 1.00 0.00 C ATOM 162 C GLN A 10 0.016 0.935 8.687 1.00 0.00 C ATOM 163 O GLN A 10 -0.620 1.228 7.673 1.00 0.00 O ATOM 164 CB GLN A 10 -0.835 -0.387 10.672 1.00 0.00 C ATOM 165 CG GLN A 10 -1.544 -1.675 11.095 1.00 0.00 C ATOM 166 CD GLN A 10 -2.052 -1.599 12.533 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.443 -2.094 13.471 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.189 -0.975 12.769 1.00 0.00 N ATOM 0 H GLN A 10 1.252 -1.621 10.315 1.00 0.00 H new ATOM 0 HA GLN A 10 -0.780 -1.037 8.614 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.088 -0.132 11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.561 0.426 10.656 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.381 -1.866 10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.858 -2.516 10.996 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.710 -0.556 11.999 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.547 -0.911 13.722 1.00 0.00 H new ATOM 177 N GLN A 11 0.855 1.803 9.275 1.00 0.00 N ATOM 178 CA GLN A 11 1.064 3.156 8.737 1.00 0.00 C ATOM 179 C GLN A 11 1.531 3.138 7.269 1.00 0.00 C ATOM 180 O GLN A 11 0.935 3.823 6.439 1.00 0.00 O ATOM 181 CB GLN A 11 1.944 4.040 9.642 1.00 0.00 C ATOM 182 CG GLN A 11 3.358 3.521 9.939 1.00 0.00 C ATOM 183 CD GLN A 11 4.261 4.621 10.488 1.00 0.00 C ATOM 184 OE1 GLN A 11 4.055 5.149 11.573 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.298 4.984 9.759 1.00 0.00 N ATOM 0 H GLN A 11 1.395 1.595 10.115 1.00 0.00 H new ATOM 0 HA GLN A 11 0.085 3.635 8.737 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.031 5.023 9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.426 4.180 10.591 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.302 2.704 10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.795 3.113 9.027 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.466 4.542 8.855 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.932 5.707 10.099 1.00 0.00 H new ATOM 194 N GLN A 12 2.552 2.342 6.919 1.00 0.00 N ATOM 195 CA GLN A 12 3.043 2.235 5.537 1.00 0.00 C ATOM 196 C GLN A 12 1.970 1.723 4.562 1.00 0.00 C ATOM 197 O GLN A 12 1.923 2.195 3.428 1.00 0.00 O ATOM 198 CB GLN A 12 4.322 1.392 5.442 1.00 0.00 C ATOM 199 CG GLN A 12 5.503 2.050 6.181 1.00 0.00 C ATOM 200 CD GLN A 12 6.868 1.663 5.617 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.761 2.489 5.489 1.00 0.00 O ATOM 202 NE2 GLN A 12 7.103 0.420 5.256 1.00 0.00 N ATOM 0 H GLN A 12 3.059 1.756 7.583 1.00 0.00 H new ATOM 0 HA GLN A 12 3.292 3.251 5.231 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.137 0.404 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.585 1.249 4.394 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.393 3.133 6.133 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.462 1.772 7.234 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.373 -0.286 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.015 0.162 4.879 1.00 0.00 H new ATOM 211 N LEU A 13 1.090 0.808 4.990 1.00 0.00 N ATOM 212 CA LEU A 13 -0.043 0.291 4.220 1.00 0.00 C ATOM 213 C LEU A 13 -0.919 1.479 3.775 1.00 0.00 C ATOM 214 O LEU A 13 -1.128 1.690 2.581 1.00 0.00 O ATOM 215 CB LEU A 13 -0.769 -0.779 5.076 1.00 0.00 C ATOM 216 CG LEU A 13 -1.554 -1.842 4.286 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.925 -3.037 5.163 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.818 -1.278 3.664 1.00 0.00 C ATOM 0 H LEU A 13 1.153 0.393 5.920 1.00 0.00 H new ATOM 0 HA LEU A 13 0.262 -0.213 3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.029 -1.286 5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.458 -0.272 5.752 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.888 -2.172 3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.478 -3.766 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.017 -3.499 5.551 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.545 -2.700 5.994 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.337 -2.065 3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.468 -0.891 4.449 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.558 -0.472 2.979 1.00 0.00 H new ATOM 230 N VAL A 14 -1.372 2.300 4.729 1.00 0.00 N ATOM 231 CA VAL A 14 -2.170 3.520 4.504 1.00 0.00 C ATOM 232 C VAL A 14 -1.420 4.544 3.631 1.00 0.00 C ATOM 233 O VAL A 14 -2.006 5.060 2.676 1.00 0.00 O ATOM 234 CB VAL A 14 -2.653 4.101 5.850 1.00 0.00 C ATOM 235 CG1 VAL A 14 -3.499 5.375 5.724 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.543 3.064 6.554 1.00 0.00 C ATOM 0 H VAL A 14 -1.188 2.130 5.718 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.060 3.254 3.934 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.745 4.346 6.401 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.796 5.714 6.716 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.914 6.153 5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.389 5.163 5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.888 3.467 7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.402 2.835 5.924 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.970 2.154 6.732 1.00 0.00 H new ATOM 246 N LEU A 15 -0.136 4.828 3.902 1.00 0.00 N ATOM 247 CA LEU A 15 0.679 5.744 3.084 1.00 0.00 C ATOM 248 C LEU A 15 0.751 5.298 1.610 1.00 0.00 C ATOM 249 O LEU A 15 0.510 6.099 0.707 1.00 0.00 O ATOM 250 CB LEU A 15 2.121 5.885 3.608 1.00 0.00 C ATOM 251 CG LEU A 15 2.371 6.550 4.967 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.883 6.716 5.122 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.733 7.930 5.070 1.00 0.00 C ATOM 0 H LEU A 15 0.368 4.429 4.694 1.00 0.00 H new ATOM 0 HA LEU A 15 0.174 6.707 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.552 4.885 3.650 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.686 6.444 2.862 1.00 0.00 H new ATOM 0 HG LEU A 15 1.931 5.923 5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.101 7.187 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.362 5.738 5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.265 7.341 4.315 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.941 8.355 6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.146 8.580 4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.655 7.844 4.933 1.00 0.00 H new ATOM 265 N LEU A 16 1.105 4.034 1.359 1.00 0.00 N ATOM 266 CA LEU A 16 1.233 3.441 0.024 1.00 0.00 C ATOM 267 C LEU A 16 -0.073 3.547 -0.781 1.00 0.00 C ATOM 268 O LEU A 16 -0.056 3.882 -1.966 1.00 0.00 O ATOM 269 CB LEU A 16 1.712 1.989 0.179 1.00 0.00 C ATOM 270 CG LEU A 16 1.980 1.271 -1.153 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.111 1.927 -1.941 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.412 -0.161 -0.866 1.00 0.00 C ATOM 0 H LEU A 16 1.318 3.372 2.106 1.00 0.00 H new ATOM 0 HA LEU A 16 1.971 3.998 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.625 1.981 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.962 1.428 0.737 1.00 0.00 H new ATOM 0 HG LEU A 16 1.060 1.318 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.265 1.386 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.849 2.962 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.027 1.902 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.604 -0.678 -1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.320 -0.153 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.621 -0.678 -0.323 1.00 0.00 H new ATOM 284 N LEU A 17 -1.208 3.285 -0.131 1.00 0.00 N ATOM 285 CA LEU A 17 -2.542 3.424 -0.720 1.00 0.00 C ATOM 286 C LEU A 17 -2.803 4.883 -1.137 1.00 0.00 C ATOM 287 O LEU A 17 -3.178 5.130 -2.288 1.00 0.00 O ATOM 288 CB LEU A 17 -3.595 2.905 0.265 1.00 0.00 C ATOM 289 CG LEU A 17 -3.535 1.380 0.458 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.338 1.020 1.699 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.110 0.597 -0.719 1.00 0.00 C ATOM 0 H LEU A 17 -1.227 2.964 0.837 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.605 2.822 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.455 3.394 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.587 3.182 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.483 1.111 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.307 -0.059 1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.911 1.522 2.567 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.372 1.338 1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.036 -0.471 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.156 0.868 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.549 0.835 -1.623 1.00 0.00 H new ATOM 303 N HIS A 18 -2.564 5.849 -0.236 1.00 0.00 N ATOM 304 CA HIS A 18 -2.666 7.284 -0.540 1.00 0.00 C ATOM 305 C HIS A 18 -1.797 7.632 -1.757 1.00 0.00 C ATOM 306 O HIS A 18 -2.293 8.271 -2.679 1.00 0.00 O ATOM 307 CB HIS A 18 -2.296 8.162 0.674 1.00 0.00 C ATOM 308 CG HIS A 18 -2.262 9.652 0.369 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.317 10.306 -0.382 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.178 10.601 0.775 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.676 11.658 -0.474 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -2.796 11.789 0.260 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.293 5.655 0.728 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.708 7.499 -0.779 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.014 7.981 1.473 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.319 7.855 1.048 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.045 10.425 1.394 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.160 12.434 -1.021 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.291 12.669 0.408 1.00 0.00 H new ATOM 320 N ALA A 19 -0.524 7.217 -1.772 1.00 0.00 N ATOM 321 CA ALA A 19 0.451 7.488 -2.833 1.00 0.00 C ATOM 322 C ALA A 19 -0.133 7.371 -4.250 1.00 0.00 C ATOM 323 O ALA A 19 -0.058 8.329 -5.025 1.00 0.00 O ATOM 324 CB ALA A 19 1.686 6.605 -2.633 1.00 0.00 C ATOM 0 H ALA A 19 -0.130 6.660 -1.013 1.00 0.00 H new ATOM 0 HA ALA A 19 0.749 8.533 -2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.410 6.808 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.136 6.822 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.393 5.556 -2.670 1.00 0.00 H new ATOM 330 N HIS A 20 -0.739 6.225 -4.592 1.00 0.00 N ATOM 331 CA HIS A 20 -1.379 6.031 -5.901 1.00 0.00 C ATOM 332 C HIS A 20 -2.705 6.789 -6.042 1.00 0.00 C ATOM 333 O HIS A 20 -2.942 7.339 -7.113 1.00 0.00 O ATOM 334 CB HIS A 20 -1.527 4.546 -6.228 1.00 0.00 C ATOM 335 CG HIS A 20 -2.064 4.319 -7.623 1.00 0.00 C ATOM 336 ND1 HIS A 20 -3.386 4.084 -7.963 1.00 0.00 N ATOM 337 CD2 HIS A 20 -1.343 4.449 -8.779 1.00 0.00 C ATOM 338 CE1 HIS A 20 -3.465 4.083 -9.309 1.00 0.00 C ATOM 339 NE2 HIS A 20 -2.235 4.294 -9.826 1.00 0.00 N ATOM 0 H HIS A 20 -0.799 5.414 -3.976 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.712 6.470 -6.643 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.559 4.056 -6.129 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.195 4.081 -5.503 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.282 4.636 -8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.368 3.937 -9.883 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.003 4.333 -10.819 1.00 0.00 H new ATOM 348 N LYS A 21 -3.562 6.863 -5.010 1.00 0.00 N ATOM 349 CA LYS A 21 -4.824 7.646 -5.033 1.00 0.00 C ATOM 350 C LYS A 21 -4.537 9.105 -5.441 1.00 0.00 C ATOM 351 O LYS A 21 -5.150 9.642 -6.363 1.00 0.00 O ATOM 352 CB LYS A 21 -5.520 7.556 -3.659 1.00 0.00 C ATOM 353 CG LYS A 21 -6.949 8.131 -3.682 1.00 0.00 C ATOM 354 CD LYS A 21 -7.485 8.470 -2.283 1.00 0.00 C ATOM 355 CE LYS A 21 -7.626 7.235 -1.386 1.00 0.00 C ATOM 356 NZ LYS A 21 -8.192 7.599 -0.058 1.00 0.00 N ATOM 0 H LYS A 21 -3.404 6.380 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.502 7.228 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.556 6.514 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.927 8.094 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.962 9.031 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.616 7.411 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.815 9.186 -1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.456 8.957 -2.379 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.270 6.501 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.652 6.765 -1.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.277 6.745 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.563 8.281 0.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.132 8.026 -0.186 1.00 0.00 H new ATOM 370 N CYS A 22 -3.557 9.706 -4.772 1.00 0.00 N ATOM 371 CA CYS A 22 -2.983 11.029 -4.980 1.00 0.00 C ATOM 372 C CYS A 22 -2.440 11.167 -6.421 1.00 0.00 C ATOM 373 O CYS A 22 -2.832 12.082 -7.152 1.00 0.00 O ATOM 374 CB CYS A 22 -1.940 11.177 -3.859 1.00 0.00 C ATOM 375 SG CYS A 22 -1.013 12.737 -3.864 1.00 0.00 S ATOM 0 H CYS A 22 -3.101 9.230 -3.994 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.701 11.846 -4.912 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.446 11.077 -2.899 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -1.231 10.352 -3.933 1.00 0.00 H new ATOM 0 HG CYS A 22 0.070 12.601 -3.158 1.00 0.00 H new ATOM 627 N HIS A 39 5.626 12.041 3.421 1.00 0.00 N ATOM 628 CA HIS A 39 6.145 10.765 2.905 1.00 0.00 C ATOM 629 C HIS A 39 5.385 10.165 1.713 1.00 0.00 C ATOM 630 O HIS A 39 5.828 9.147 1.178 1.00 0.00 O ATOM 631 CB HIS A 39 6.377 9.785 4.062 1.00 0.00 C ATOM 632 CG HIS A 39 7.608 10.180 4.843 1.00 0.00 C ATOM 633 ND1 HIS A 39 8.886 10.275 4.317 1.00 0.00 N ATOM 634 CD2 HIS A 39 7.652 10.576 6.151 1.00 0.00 C ATOM 635 CE1 HIS A 39 9.699 10.711 5.301 1.00 0.00 C ATOM 636 NE2 HIS A 39 8.971 10.899 6.425 1.00 0.00 N ATOM 0 HA HIS A 39 7.109 10.990 2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.508 9.776 4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.493 8.773 3.673 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.820 10.627 6.837 1.00 0.00 H new ATOM 0 HE1 HIS A 39 10.761 10.882 5.206 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.332 11.224 7.322 1.00 0.00 H new ATOM 645 N CYS A 40 4.303 10.798 1.250 1.00 0.00 N ATOM 646 CA CYS A 40 3.594 10.421 0.023 1.00 0.00 C ATOM 647 C CYS A 40 4.598 10.351 -1.152 1.00 0.00 C ATOM 648 O CYS A 40 4.662 9.351 -1.873 1.00 0.00 O ATOM 649 CB CYS A 40 2.469 11.443 -0.198 1.00 0.00 C ATOM 650 SG CYS A 40 1.627 11.184 -1.785 1.00 0.00 S ATOM 0 H CYS A 40 3.888 11.600 1.725 1.00 0.00 H new ATOM 0 HA CYS A 40 3.143 9.432 0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.746 11.369 0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.882 12.451 -0.166 1.00 0.00 H new ATOM 0 HG CYS A 40 0.459 10.654 -1.575 1.00 0.00 H new ATOM 655 N ARG A 41 5.464 11.374 -1.284 1.00 0.00 N ATOM 656 CA ARG A 41 6.577 11.444 -2.252 1.00 0.00 C ATOM 657 C ARG A 41 7.484 10.212 -2.157 1.00 0.00 C ATOM 658 O ARG A 41 7.804 9.604 -3.180 1.00 0.00 O ATOM 659 CB ARG A 41 7.353 12.758 -2.047 1.00 0.00 C ATOM 660 CG ARG A 41 8.381 12.999 -3.165 1.00 0.00 C ATOM 661 CD ARG A 41 9.128 14.322 -2.951 1.00 0.00 C ATOM 662 NE ARG A 41 10.111 14.571 -4.026 1.00 0.00 N ATOM 663 CZ ARG A 41 9.901 15.140 -5.202 1.00 0.00 C ATOM 664 NH1 ARG A 41 8.727 15.565 -5.576 1.00 0.00 N ATOM 665 NH2 ARG A 41 10.886 15.293 -6.040 1.00 0.00 N ATOM 0 H ARG A 41 5.406 12.206 -0.697 1.00 0.00 H new ATOM 0 HA ARG A 41 6.170 11.441 -3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.652 13.592 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.864 12.731 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.094 12.175 -3.192 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.876 13.015 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.412 15.143 -2.914 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.638 14.301 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 41 11.067 14.268 -3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.926 15.465 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.609 15.998 -6.492 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.822 14.974 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.721 15.732 -6.946 1.00 0.00 H new ATOM 679 N THR A 42 7.882 9.822 -0.942 1.00 0.00 N ATOM 680 CA THR A 42 8.688 8.618 -0.676 1.00 0.00 C ATOM 681 C THR A 42 7.970 7.377 -1.213 1.00 0.00 C ATOM 682 O THR A 42 8.541 6.620 -1.998 1.00 0.00 O ATOM 683 CB THR A 42 8.999 8.426 0.822 1.00 0.00 C ATOM 684 OG1 THR A 42 9.359 9.643 1.452 1.00 0.00 O ATOM 685 CG2 THR A 42 10.155 7.442 1.008 1.00 0.00 C ATOM 0 H THR A 42 7.650 10.343 -0.096 1.00 0.00 H new ATOM 0 HA THR A 42 9.639 8.756 -1.190 1.00 0.00 H new ATOM 0 HB THR A 42 8.087 8.042 1.279 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.113 9.606 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.360 7.319 2.071 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.885 6.478 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.044 7.827 0.509 1.00 0.00 H new ATOM 693 N MET A 43 6.703 7.178 -0.833 1.00 0.00 N ATOM 694 CA MET A 43 5.886 6.057 -1.307 1.00 0.00 C ATOM 695 C MET A 43 5.718 6.057 -2.833 1.00 0.00 C ATOM 696 O MET A 43 5.809 4.992 -3.429 1.00 0.00 O ATOM 697 CB MET A 43 4.525 6.009 -0.615 1.00 0.00 C ATOM 698 CG MET A 43 4.566 5.746 0.892 1.00 0.00 C ATOM 699 SD MET A 43 5.460 4.273 1.468 1.00 0.00 S ATOM 700 CE MET A 43 7.039 5.026 1.949 1.00 0.00 C ATOM 0 H MET A 43 6.213 7.794 -0.184 1.00 0.00 H new ATOM 0 HA MET A 43 6.432 5.153 -1.039 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.014 6.956 -0.788 1.00 0.00 H new ATOM 0 HB3 MET A 43 3.923 5.232 -1.086 1.00 0.00 H new ATOM 0 HG2 MET A 43 5.011 6.617 1.373 1.00 0.00 H new ATOM 0 HG3 MET A 43 3.538 5.675 1.248 1.00 0.00 H new ATOM 0 HE1 MET A 43 7.612 4.319 2.549 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.606 5.285 1.055 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.850 5.927 2.533 1.00 0.00 H new ATOM 710 N LYS A 44 5.510 7.205 -3.494 1.00 0.00 N ATOM 711 CA LYS A 44 5.428 7.325 -4.968 1.00 0.00 C ATOM 712 C LYS A 44 6.706 6.807 -5.644 1.00 0.00 C ATOM 713 O LYS A 44 6.623 6.062 -6.620 1.00 0.00 O ATOM 714 CB LYS A 44 5.138 8.776 -5.387 1.00 0.00 C ATOM 715 CG LYS A 44 3.644 9.140 -5.331 1.00 0.00 C ATOM 716 CD LYS A 44 3.493 10.650 -5.602 1.00 0.00 C ATOM 717 CE LYS A 44 2.060 11.158 -5.811 1.00 0.00 C ATOM 718 NZ LYS A 44 1.177 10.853 -4.671 1.00 0.00 N ATOM 0 H LYS A 44 5.391 8.097 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 44 4.599 6.702 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.694 9.452 -4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.505 8.934 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.087 8.566 -6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.230 8.888 -4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.931 11.194 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.078 10.900 -6.487 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.081 12.236 -5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.648 10.709 -6.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.464 11.604 -4.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.701 9.943 -4.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.742 10.797 -3.800 1.00 0.00 H new ATOM 732 N ASN A 45 7.883 7.163 -5.119 1.00 0.00 N ATOM 733 CA ASN A 45 9.180 6.672 -5.607 1.00 0.00 C ATOM 734 C ASN A 45 9.264 5.137 -5.461 1.00 0.00 C ATOM 735 O ASN A 45 9.599 4.439 -6.421 1.00 0.00 O ATOM 736 CB ASN A 45 10.332 7.390 -4.881 1.00 0.00 C ATOM 737 CG ASN A 45 10.639 8.751 -5.483 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.525 8.901 -6.313 1.00 0.00 O ATOM 739 ND2 ASN A 45 9.927 9.786 -5.100 1.00 0.00 N ATOM 0 H ASN A 45 7.965 7.808 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 45 9.274 6.901 -6.669 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.075 7.511 -3.829 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.226 6.768 -4.921 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.114 10.708 -5.494 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.187 9.668 -4.408 1.00 0.00 H new ATOM 746 N VAL A 46 8.923 4.617 -4.275 1.00 0.00 N ATOM 747 CA VAL A 46 8.854 3.176 -3.956 1.00 0.00 C ATOM 748 C VAL A 46 7.923 2.457 -4.942 1.00 0.00 C ATOM 749 O VAL A 46 8.351 1.530 -5.622 1.00 0.00 O ATOM 750 CB VAL A 46 8.435 2.979 -2.484 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.071 1.533 -2.128 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.566 3.439 -1.554 1.00 0.00 C ATOM 0 H VAL A 46 8.678 5.206 -3.479 1.00 0.00 H new ATOM 0 HA VAL A 46 9.840 2.726 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 46 7.536 3.580 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.788 1.477 -1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.236 1.205 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.930 0.887 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.264 3.297 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.463 2.853 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.775 4.494 -1.730 1.00 0.00 H new ATOM 762 N LEU A 47 6.670 2.909 -5.053 1.00 0.00 N ATOM 763 CA LEU A 47 5.598 2.472 -5.954 1.00 0.00 C ATOM 764 C LEU A 47 6.081 2.357 -7.407 1.00 0.00 C ATOM 765 O LEU A 47 5.966 1.283 -7.997 1.00 0.00 O ATOM 766 CB LEU A 47 4.414 3.446 -5.769 1.00 0.00 C ATOM 767 CG LEU A 47 3.123 3.193 -6.562 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.164 3.642 -8.021 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.726 1.729 -6.505 1.00 0.00 C ATOM 0 H LEU A 47 6.348 3.668 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 47 5.269 1.464 -5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.156 3.456 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.766 4.447 -6.020 1.00 0.00 H new ATOM 0 HG LEU A 47 2.377 3.816 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.208 3.422 -8.497 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.353 4.715 -8.066 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.960 3.111 -8.543 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.809 1.578 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.522 1.119 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.561 1.437 -5.468 1.00 0.00 H new ATOM 781 N ASN A 48 6.636 3.438 -7.969 1.00 0.00 N ATOM 782 CA ASN A 48 7.200 3.471 -9.322 1.00 0.00 C ATOM 783 C ASN A 48 8.191 2.315 -9.528 1.00 0.00 C ATOM 784 O ASN A 48 8.020 1.497 -10.434 1.00 0.00 O ATOM 785 CB ASN A 48 7.868 4.835 -9.560 1.00 0.00 C ATOM 786 CG ASN A 48 8.612 4.881 -10.887 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.045 4.739 -11.963 1.00 0.00 O ATOM 788 ND2 ASN A 48 9.916 5.048 -10.862 1.00 0.00 N ATOM 0 H ASN A 48 6.706 4.333 -7.484 1.00 0.00 H new ATOM 0 HA ASN A 48 6.400 3.342 -10.051 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.110 5.618 -9.542 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.563 5.045 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.446 5.058 -11.734 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.398 5.167 -9.971 1.00 0.00 H new ATOM 795 N HIS A 49 9.215 2.233 -8.672 1.00 0.00 N ATOM 796 CA HIS A 49 10.200 1.156 -8.706 1.00 0.00 C ATOM 797 C HIS A 49 9.514 -0.224 -8.592 1.00 0.00 C ATOM 798 O HIS A 49 9.795 -1.090 -9.416 1.00 0.00 O ATOM 799 CB HIS A 49 11.288 1.408 -7.653 1.00 0.00 C ATOM 800 CG HIS A 49 12.339 0.322 -7.636 1.00 0.00 C ATOM 801 ND1 HIS A 49 12.246 -0.851 -6.939 1.00 0.00 N flip ATOM 802 CD2 HIS A 49 13.472 0.247 -8.420 1.00 0.00 C flip ATOM 803 CE1 HIS A 49 13.322 -1.669 -7.316 1.00 0.00 C flip ATOM 804 NE2 HIS A 49 14.030 -0.965 -8.215 1.00 0.00 N flip ATOM 0 H HIS A 49 9.381 2.917 -7.934 1.00 0.00 H new ATOM 0 HA HIS A 49 10.705 1.145 -9.672 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.765 2.368 -7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.827 1.478 -6.668 1.00 0.00 H new ATOM 0 HD2 HIS A 49 13.845 1.018 -9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 49 13.538 -2.664 -6.956 1.00 0.00 H new ATOM 0 HE2 HIS A 49 14.874 -1.301 -8.679 1.00 0.00 H new ATOM 812 N MET A 50 8.587 -0.418 -7.641 1.00 0.00 N ATOM 813 CA MET A 50 7.798 -1.645 -7.419 1.00 0.00 C ATOM 814 C MET A 50 7.217 -2.227 -8.719 1.00 0.00 C ATOM 815 O MET A 50 7.357 -3.424 -8.977 1.00 0.00 O ATOM 816 CB MET A 50 6.654 -1.410 -6.404 1.00 0.00 C ATOM 817 CG MET A 50 6.650 -2.432 -5.265 1.00 0.00 C ATOM 818 SD MET A 50 5.049 -2.790 -4.486 1.00 0.00 S ATOM 819 CE MET A 50 4.313 -1.144 -4.298 1.00 0.00 C ATOM 0 H MET A 50 8.354 0.314 -6.970 1.00 0.00 H new ATOM 0 HA MET A 50 8.499 -2.373 -7.010 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.746 -0.408 -5.986 1.00 0.00 H new ATOM 0 HB3 MET A 50 5.698 -1.451 -6.926 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.058 -3.368 -5.648 1.00 0.00 H new ATOM 0 HG3 MET A 50 7.332 -2.080 -4.491 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.347 -1.232 -3.800 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.974 -0.516 -3.700 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.175 -0.693 -5.281 1.00 0.00 H new ATOM 829 N THR A 51 6.559 -1.397 -9.539 1.00 0.00 N ATOM 830 CA THR A 51 5.981 -1.808 -10.833 1.00 0.00 C ATOM 831 C THR A 51 7.031 -2.335 -11.816 1.00 0.00 C ATOM 832 O THR A 51 6.806 -3.364 -12.458 1.00 0.00 O ATOM 833 CB THR A 51 5.156 -0.697 -11.522 1.00 0.00 C ATOM 834 OG1 THR A 51 5.410 0.604 -11.036 1.00 0.00 O ATOM 835 CG2 THR A 51 3.664 -0.942 -11.325 1.00 0.00 C ATOM 0 H THR A 51 6.410 -0.411 -9.324 1.00 0.00 H new ATOM 0 HA THR A 51 5.304 -2.621 -10.571 1.00 0.00 H new ATOM 0 HB THR A 51 5.458 -0.745 -12.568 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.377 0.738 -10.949 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.097 -0.151 -11.816 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.393 -1.905 -11.758 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.433 -0.946 -10.260 1.00 0.00 H new ATOM 843 N HIS A 52 8.171 -1.646 -11.954 1.00 0.00 N ATOM 844 CA HIS A 52 9.275 -2.033 -12.850 1.00 0.00 C ATOM 845 C HIS A 52 10.035 -3.277 -12.353 1.00 0.00 C ATOM 846 O HIS A 52 10.326 -4.172 -13.148 1.00 0.00 O ATOM 847 CB HIS A 52 10.231 -0.844 -13.056 1.00 0.00 C ATOM 848 CG HIS A 52 9.548 0.408 -13.556 1.00 0.00 C ATOM 849 ND1 HIS A 52 8.728 0.510 -14.668 1.00 0.00 N ATOM 850 CD2 HIS A 52 9.576 1.627 -12.939 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.243 1.769 -14.703 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.739 2.463 -13.656 1.00 0.00 N ATOM 0 H HIS A 52 8.358 -0.787 -11.437 1.00 0.00 H new ATOM 0 HA HIS A 52 8.835 -2.307 -13.809 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.729 -0.623 -12.112 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.006 -1.132 -13.766 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.144 1.888 -12.058 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.566 2.159 -15.449 1.00 0.00 H new ATOM 0 HE2 HIS A 52 8.532 3.436 -13.432 1.00 0.00 H new ATOM 861 N CYS A 53 10.364 -3.323 -11.061 1.00 0.00 N ATOM 862 CA CYS A 53 11.099 -4.376 -10.361 1.00 0.00 C ATOM 863 C CYS A 53 10.429 -5.762 -10.535 1.00 0.00 C ATOM 864 O CYS A 53 9.364 -6.051 -9.978 1.00 0.00 O ATOM 865 CB CYS A 53 11.234 -3.924 -8.899 1.00 0.00 C ATOM 866 SG CYS A 53 12.354 -4.989 -7.941 1.00 0.00 S ATOM 0 H CYS A 53 10.103 -2.566 -10.429 1.00 0.00 H new ATOM 0 HA CYS A 53 12.094 -4.516 -10.785 1.00 0.00 H new ATOM 0 HB2 CYS A 53 11.602 -2.898 -8.872 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.250 -3.923 -8.430 1.00 0.00 H new ATOM 0 HG CYS A 53 12.286 -4.669 -6.683 1.00 0.00 H new ATOM 871 N GLN A 54 11.050 -6.619 -11.354 1.00 0.00 N ATOM 872 CA GLN A 54 10.564 -7.968 -11.686 1.00 0.00 C ATOM 873 C GLN A 54 10.752 -8.996 -10.552 1.00 0.00 C ATOM 874 O GLN A 54 10.135 -10.064 -10.582 1.00 0.00 O ATOM 875 CB GLN A 54 11.258 -8.467 -12.967 1.00 0.00 C ATOM 876 CG GLN A 54 10.991 -7.591 -14.206 1.00 0.00 C ATOM 877 CD GLN A 54 9.504 -7.499 -14.552 1.00 0.00 C ATOM 878 OE1 GLN A 54 8.890 -8.437 -15.045 1.00 0.00 O ATOM 879 NE2 GLN A 54 8.867 -6.372 -14.313 1.00 0.00 N ATOM 0 H GLN A 54 11.929 -6.389 -11.818 1.00 0.00 H new ATOM 0 HA GLN A 54 9.489 -7.880 -11.840 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.333 -8.512 -12.792 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.926 -9.484 -13.175 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.382 -6.589 -14.029 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.534 -7.999 -15.059 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.365 -5.582 -13.903 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.876 -6.289 -14.538 1.00 0.00 H new ATOM 888 N ALA A 55 11.601 -8.693 -9.567 1.00 0.00 N ATOM 889 CA ALA A 55 11.886 -9.541 -8.411 1.00 0.00 C ATOM 890 C ALA A 55 10.715 -9.584 -7.397 1.00 0.00 C ATOM 891 O ALA A 55 9.656 -8.983 -7.599 1.00 0.00 O ATOM 892 CB ALA A 55 13.183 -9.022 -7.768 1.00 0.00 C ATOM 0 H ALA A 55 12.127 -7.819 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 55 12.010 -10.573 -8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 55 13.428 -9.633 -6.899 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.996 -9.078 -8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.046 -7.986 -7.457 1.00 0.00 H new ATOM 898 N GLY A 56 10.914 -10.301 -6.287 1.00 0.00 N ATOM 899 CA GLY A 56 9.962 -10.446 -5.178 1.00 0.00 C ATOM 900 C GLY A 56 10.618 -10.049 -3.855 1.00 0.00 C ATOM 901 O GLY A 56 10.915 -8.875 -3.634 1.00 0.00 O ATOM 0 H GLY A 56 11.779 -10.818 -6.129 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.086 -9.822 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.613 -11.477 -5.123 1.00 0.00 H new ATOM 905 N LYS A 57 10.884 -11.031 -2.981 1.00 0.00 N ATOM 906 CA LYS A 57 11.569 -10.815 -1.692 1.00 0.00 C ATOM 907 C LYS A 57 13.044 -10.394 -1.861 1.00 0.00 C ATOM 908 O LYS A 57 13.613 -9.763 -0.971 1.00 0.00 O ATOM 909 CB LYS A 57 11.500 -12.080 -0.812 1.00 0.00 C ATOM 910 CG LYS A 57 10.123 -12.300 -0.160 1.00 0.00 C ATOM 911 CD LYS A 57 9.226 -13.333 -0.855 1.00 0.00 C ATOM 912 CE LYS A 57 9.686 -14.772 -0.594 1.00 0.00 C ATOM 913 NZ LYS A 57 9.445 -15.188 0.812 1.00 0.00 N ATOM 0 H LYS A 57 10.629 -12.005 -3.147 1.00 0.00 H new ATOM 0 HA LYS A 57 11.041 -9.995 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.748 -12.950 -1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.256 -12.011 -0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.274 -12.611 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.596 -11.346 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.200 -13.213 -0.507 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.222 -13.144 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.160 -15.448 -1.267 1.00 0.00 H new ATOM 0 HE3 LYS A 57 10.749 -14.860 -0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.627 -16.207 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.082 -14.662 1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.458 -14.986 1.069 1.00 0.00 H new ATOM 927 N ALA A 58 13.664 -10.801 -2.972 1.00 0.00 N ATOM 928 CA ALA A 58 15.076 -10.631 -3.318 1.00 0.00 C ATOM 929 C ALA A 58 15.613 -9.187 -3.423 1.00 0.00 C ATOM 930 O ALA A 58 16.797 -8.978 -3.135 1.00 0.00 O ATOM 931 CB ALA A 58 15.341 -11.407 -4.615 1.00 0.00 C ATOM 0 H ALA A 58 13.154 -11.293 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 58 15.634 -11.024 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 58 16.388 -11.298 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.115 -12.462 -4.460 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.708 -11.013 -5.410 1.00 0.00 H new ATOM 937 N CYS A 59 14.803 -8.208 -3.846 1.00 0.00 N ATOM 938 CA CYS A 59 15.256 -6.818 -3.991 1.00 0.00 C ATOM 939 C CYS A 59 15.746 -6.271 -2.631 1.00 0.00 C ATOM 940 O CYS A 59 15.031 -6.297 -1.625 1.00 0.00 O ATOM 941 CB CYS A 59 14.157 -5.961 -4.646 1.00 0.00 C ATOM 942 SG CYS A 59 14.842 -4.397 -5.316 1.00 0.00 S ATOM 0 H CYS A 59 13.825 -8.354 -4.095 1.00 0.00 H new ATOM 0 HA CYS A 59 16.113 -6.775 -4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 59 13.682 -6.526 -5.448 1.00 0.00 H new ATOM 0 HB3 CYS A 59 13.382 -5.737 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 59 13.957 -3.452 -5.202 1.00 0.00 H new ATOM 947 N GLN A 60 17.011 -5.844 -2.587 1.00 0.00 N ATOM 948 CA GLN A 60 17.711 -5.396 -1.376 1.00 0.00 C ATOM 949 C GLN A 60 17.134 -4.115 -0.743 1.00 0.00 C ATOM 950 O GLN A 60 17.311 -3.893 0.459 1.00 0.00 O ATOM 951 CB GLN A 60 19.212 -5.237 -1.679 1.00 0.00 C ATOM 952 CG GLN A 60 19.888 -6.538 -2.152 1.00 0.00 C ATOM 953 CD GLN A 60 19.845 -7.650 -1.103 1.00 0.00 C ATOM 954 OE1 GLN A 60 20.627 -7.681 -0.160 1.00 0.00 O ATOM 955 NE2 GLN A 60 18.944 -8.604 -1.211 1.00 0.00 N ATOM 0 H GLN A 60 17.597 -5.798 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 60 17.558 -6.171 -0.625 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.340 -4.472 -2.445 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.719 -4.879 -0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 60 19.398 -6.885 -3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.926 -6.329 -2.409 1.00 0.00 H new ATOM 0 HE21 GLN A 60 18.284 -8.596 -1.989 1.00 0.00 H new ATOM 0 HE22 GLN A 60 18.906 -9.351 -0.517 1.00 0.00 H new ATOM 964 N VAL A 61 16.443 -3.275 -1.521 1.00 0.00 N ATOM 965 CA VAL A 61 15.798 -2.035 -1.059 1.00 0.00 C ATOM 966 C VAL A 61 14.671 -2.376 -0.069 1.00 0.00 C ATOM 967 O VAL A 61 13.685 -3.019 -0.431 1.00 0.00 O ATOM 968 CB VAL A 61 15.272 -1.217 -2.259 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.592 0.088 -1.818 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.401 -0.839 -3.231 1.00 0.00 C ATOM 0 H VAL A 61 16.312 -3.441 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 61 16.532 -1.417 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 61 14.548 -1.865 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.239 0.629 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.747 -0.143 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.307 0.706 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.989 -0.265 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 61 17.146 -0.239 -2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.870 -1.745 -3.614 1.00 0.00 H new ATOM 980 N ALA A 62 14.816 -1.943 1.190 1.00 0.00 N ATOM 981 CA ALA A 62 13.889 -2.176 2.308 1.00 0.00 C ATOM 982 C ALA A 62 12.407 -1.976 1.934 1.00 0.00 C ATOM 983 O ALA A 62 11.570 -2.868 2.102 1.00 0.00 O ATOM 984 CB ALA A 62 14.309 -1.258 3.466 1.00 0.00 C ATOM 0 H ALA A 62 15.626 -1.391 1.472 1.00 0.00 H new ATOM 0 HA ALA A 62 13.957 -3.223 2.602 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.638 -1.409 4.312 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.330 -1.495 3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.258 -0.218 3.143 1.00 0.00 H new ATOM 990 N HIS A 63 12.092 -0.786 1.417 1.00 0.00 N ATOM 991 CA HIS A 63 10.747 -0.387 0.991 1.00 0.00 C ATOM 992 C HIS A 63 10.207 -1.221 -0.178 1.00 0.00 C ATOM 993 O HIS A 63 9.063 -1.666 -0.103 1.00 0.00 O ATOM 994 CB HIS A 63 10.719 1.120 0.713 1.00 0.00 C ATOM 995 CG HIS A 63 10.705 1.924 1.989 1.00 0.00 C ATOM 996 ND1 HIS A 63 11.801 2.331 2.734 1.00 0.00 N ATOM 997 CD2 HIS A 63 9.574 2.238 2.687 1.00 0.00 C ATOM 998 CE1 HIS A 63 11.333 2.850 3.890 1.00 0.00 C ATOM 999 NE2 HIS A 63 9.985 2.804 3.878 1.00 0.00 N ATOM 0 H HIS A 63 12.786 -0.051 1.279 1.00 0.00 H new ATOM 0 HA HIS A 63 10.060 -0.597 1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.590 1.396 0.119 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.838 1.364 0.120 1.00 0.00 H new ATOM 0 HD2 HIS A 63 8.555 2.075 2.369 1.00 0.00 H new ATOM 0 HE1 HIS A 63 11.940 3.239 4.694 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.372 3.132 4.624 1.00 0.00 H new ATOM 1008 N CYS A 64 10.999 -1.460 -1.227 1.00 0.00 N ATOM 1009 CA CYS A 64 10.631 -2.291 -2.383 1.00 0.00 C ATOM 1010 C CYS A 64 10.216 -3.707 -1.929 1.00 0.00 C ATOM 1011 O CYS A 64 9.141 -4.210 -2.280 1.00 0.00 O ATOM 1012 CB CYS A 64 11.824 -2.332 -3.345 1.00 0.00 C ATOM 1013 SG CYS A 64 11.410 -3.250 -4.855 1.00 0.00 S ATOM 0 H CYS A 64 11.939 -1.072 -1.300 1.00 0.00 H new ATOM 0 HA CYS A 64 9.770 -1.862 -2.896 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.123 -1.316 -3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.677 -2.800 -2.853 1.00 0.00 H new ATOM 0 HG CYS A 64 11.344 -2.427 -5.859 1.00 0.00 H new ATOM 1018 N ALA A 65 11.054 -4.329 -1.092 1.00 0.00 N ATOM 1019 CA ALA A 65 10.790 -5.627 -0.486 1.00 0.00 C ATOM 1020 C ALA A 65 9.455 -5.599 0.274 1.00 0.00 C ATOM 1021 O ALA A 65 8.554 -6.360 -0.067 1.00 0.00 O ATOM 1022 CB ALA A 65 11.966 -6.026 0.416 1.00 0.00 C ATOM 0 H ALA A 65 11.951 -3.931 -0.815 1.00 0.00 H new ATOM 0 HA ALA A 65 10.698 -6.385 -1.264 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.765 -6.997 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.877 -6.084 -0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.092 -5.280 1.201 1.00 0.00 H new ATOM 1028 N SER A 66 9.327 -4.733 1.286 1.00 0.00 N ATOM 1029 CA SER A 66 8.161 -4.554 2.175 1.00 0.00 C ATOM 1030 C SER A 66 6.829 -4.256 1.469 1.00 0.00 C ATOM 1031 O SER A 66 5.829 -4.925 1.740 1.00 0.00 O ATOM 1032 CB SER A 66 8.426 -3.427 3.180 1.00 0.00 C ATOM 1033 OG SER A 66 9.589 -3.690 3.933 1.00 0.00 O ATOM 0 H SER A 66 10.084 -4.093 1.526 1.00 0.00 H new ATOM 0 HA SER A 66 8.047 -5.523 2.661 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.536 -2.480 2.651 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.571 -3.321 3.848 1.00 0.00 H new ATOM 0 HG SER A 66 10.380 -3.433 3.414 1.00 0.00 H new ATOM 1039 N SER A 67 6.797 -3.243 0.596 1.00 0.00 N ATOM 1040 CA SER A 67 5.611 -2.755 -0.133 1.00 0.00 C ATOM 1041 C SER A 67 4.820 -3.831 -0.884 1.00 0.00 C ATOM 1042 O SER A 67 3.592 -3.755 -0.948 1.00 0.00 O ATOM 1043 CB SER A 67 5.944 -1.562 -1.032 1.00 0.00 C ATOM 1044 OG SER A 67 7.009 -1.839 -1.911 1.00 0.00 O ATOM 0 H SER A 67 7.637 -2.712 0.364 1.00 0.00 H new ATOM 0 HA SER A 67 4.933 -2.415 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.061 -1.287 -1.609 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.201 -0.703 -0.412 1.00 0.00 H new ATOM 0 HG SER A 67 7.855 -1.817 -1.417 1.00 0.00 H new ATOM 1050 N ARG A 68 5.478 -4.867 -1.410 1.00 0.00 N ATOM 1051 CA ARG A 68 4.788 -6.009 -2.035 1.00 0.00 C ATOM 1052 C ARG A 68 3.838 -6.702 -1.047 1.00 0.00 C ATOM 1053 O ARG A 68 2.656 -6.838 -1.357 1.00 0.00 O ATOM 1054 CB ARG A 68 5.799 -6.987 -2.640 1.00 0.00 C ATOM 1055 CG ARG A 68 6.481 -6.391 -3.880 1.00 0.00 C ATOM 1056 CD ARG A 68 7.443 -7.421 -4.476 1.00 0.00 C ATOM 1057 NE ARG A 68 8.045 -6.965 -5.738 1.00 0.00 N ATOM 1058 CZ ARG A 68 9.106 -6.189 -5.868 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.687 -5.640 -4.851 1.00 0.00 N ATOM 1060 NH2 ARG A 68 9.602 -5.933 -7.034 1.00 0.00 N ATOM 0 H ARG A 68 6.495 -4.943 -1.417 1.00 0.00 H new ATOM 0 HA ARG A 68 4.171 -5.628 -2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.553 -7.241 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.294 -7.914 -2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.732 -6.107 -4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.023 -5.485 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.233 -7.634 -3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.909 -8.355 -4.649 1.00 0.00 H new ATOM 0 HE ARG A 68 7.598 -7.280 -6.599 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.327 -5.801 -3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.505 -5.046 -4.990 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.174 -6.332 -7.869 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.422 -5.332 -7.119 1.00 0.00 H new ATOM 1074 N GLN A 69 4.312 -7.128 0.133 1.00 0.00 N ATOM 1075 CA GLN A 69 3.491 -7.805 1.162 1.00 0.00 C ATOM 1076 C GLN A 69 2.248 -7.003 1.563 1.00 0.00 C ATOM 1077 O GLN A 69 1.161 -7.575 1.582 1.00 0.00 O ATOM 1078 CB GLN A 69 4.248 -8.129 2.463 1.00 0.00 C ATOM 1079 CG GLN A 69 5.297 -9.252 2.395 1.00 0.00 C ATOM 1080 CD GLN A 69 6.593 -8.870 1.697 1.00 0.00 C ATOM 1081 OE1 GLN A 69 6.939 -7.610 1.688 1.00 0.00 O flip ATOM 1082 NE2 GLN A 69 7.341 -9.692 1.189 1.00 0.00 N flip ATOM 0 H GLN A 69 5.287 -7.013 0.408 1.00 0.00 H new ATOM 0 HA GLN A 69 3.207 -8.733 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.745 -7.220 2.802 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.515 -8.395 3.225 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.529 -9.576 3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 69 4.861 -10.107 1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.087 -10.680 1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.219 -9.390 0.767 1.00 0.00 H new ATOM 1091 N ILE A 70 2.384 -5.716 1.914 1.00 0.00 N ATOM 1092 CA ILE A 70 1.245 -4.882 2.349 1.00 0.00 C ATOM 1093 C ILE A 70 0.071 -4.904 1.355 1.00 0.00 C ATOM 1094 O ILE A 70 -1.084 -5.047 1.765 1.00 0.00 O ATOM 1095 CB ILE A 70 1.648 -3.444 2.775 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.776 -2.772 1.982 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.959 -3.448 4.278 1.00 0.00 C ATOM 1098 CD1 ILE A 70 3.036 -1.297 2.347 1.00 0.00 C ATOM 0 H ILE A 70 3.277 -5.224 1.906 1.00 0.00 H new ATOM 0 HA ILE A 70 0.879 -5.356 3.260 1.00 0.00 H new ATOM 0 HB ILE A 70 0.786 -2.821 2.536 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.695 -3.337 2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.539 -2.832 0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.244 -2.444 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.075 -3.765 4.832 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.779 -4.138 4.478 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.850 -0.909 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.134 -0.713 2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.308 -1.225 3.400 1.00 0.00 H new ATOM 1110 N ILE A 71 0.351 -4.808 0.052 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.670 -4.865 -1.009 1.00 0.00 C ATOM 1112 C ILE A 71 -1.141 -6.302 -1.257 1.00 0.00 C ATOM 1113 O ILE A 71 -2.346 -6.537 -1.377 1.00 0.00 O ATOM 1114 CB ILE A 71 -0.161 -4.158 -2.278 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.274 -2.711 -1.952 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -1.221 -4.145 -3.394 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.709 -1.905 -1.078 1.00 0.00 C ATOM 0 H ILE A 71 1.299 -4.687 -0.304 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.556 -4.321 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 71 0.698 -4.723 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.239 -2.745 -1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.424 -2.175 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.820 -3.637 -4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.485 -5.169 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.110 -3.620 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.310 -0.905 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.670 -1.830 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.843 -2.409 -0.121 1.00 0.00 H new ATOM 1129 N SER A 72 -0.216 -7.267 -1.282 1.00 0.00 N ATOM 1130 CA SER A 72 -0.514 -8.703 -1.412 1.00 0.00 C ATOM 1131 C SER A 72 -1.530 -9.138 -0.354 1.00 0.00 C ATOM 1132 O SER A 72 -2.530 -9.778 -0.685 1.00 0.00 O ATOM 1133 CB SER A 72 0.748 -9.564 -1.286 1.00 0.00 C ATOM 1134 OG SER A 72 1.724 -9.187 -2.235 1.00 0.00 O ATOM 0 H SER A 72 0.782 -7.071 -1.211 1.00 0.00 H new ATOM 0 HA SER A 72 -0.932 -8.852 -2.408 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.158 -9.466 -0.281 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.490 -10.614 -1.424 1.00 0.00 H new ATOM 0 HG SER A 72 2.276 -8.465 -1.868 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.296 -8.759 0.907 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.186 -9.007 2.035 1.00 0.00 C ATOM 1142 C HIS A 73 -3.560 -8.396 1.749 1.00 0.00 C ATOM 1143 O HIS A 73 -4.522 -9.150 1.651 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.584 -8.483 3.351 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.390 -8.851 4.582 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -1.954 -9.646 5.617 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.682 -8.480 4.875 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -2.965 -9.765 6.501 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.047 -9.071 6.094 1.00 0.00 N ATOM 0 H HIS A 73 -0.451 -8.254 1.174 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.309 -10.083 2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.573 -8.876 3.459 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.500 -7.398 3.294 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.030 -10.070 5.701 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.309 -7.842 4.269 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -2.915 -10.340 7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.944 -8.992 6.573 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.666 -7.066 1.600 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.950 -6.388 1.375 1.00 0.00 C ATOM 1159 C TRP A 74 -5.802 -6.998 0.249 1.00 0.00 C ATOM 1160 O TRP A 74 -7.008 -7.192 0.425 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.774 -4.872 1.181 1.00 0.00 C ATOM 1162 CG TRP A 74 -6.067 -4.106 1.262 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -6.994 -4.288 2.229 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.620 -3.073 0.385 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.092 -3.485 1.999 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.912 -2.708 0.878 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.171 -2.397 -0.772 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.715 -1.738 0.262 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.956 -1.396 -1.379 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.226 -1.069 -0.865 1.00 0.00 C ATOM 0 H TRP A 74 -2.866 -6.433 1.632 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.515 -6.554 2.292 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.088 -4.493 1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.311 -4.688 0.211 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.890 -4.966 3.063 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -8.928 -3.469 2.583 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.212 -2.651 -1.198 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.696 -1.511 0.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.580 -0.875 -2.247 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.821 -0.303 -1.340 1.00 0.00 H new ATOM 1181 N LYS A 75 -5.199 -7.311 -0.909 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.911 -7.913 -2.051 1.00 0.00 C ATOM 1183 C LYS A 75 -6.465 -9.315 -1.741 1.00 0.00 C ATOM 1184 O LYS A 75 -7.609 -9.613 -2.089 1.00 0.00 O ATOM 1185 CB LYS A 75 -5.030 -7.892 -3.315 1.00 0.00 C ATOM 1186 CG LYS A 75 -5.918 -7.742 -4.562 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.110 -7.656 -5.865 1.00 0.00 C ATOM 1188 CE LYS A 75 -5.980 -7.014 -6.954 1.00 0.00 C ATOM 1189 NZ LYS A 75 -5.219 -6.711 -8.195 1.00 0.00 N ATOM 0 H LYS A 75 -4.206 -7.155 -1.081 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.788 -7.296 -2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.319 -7.067 -3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.448 -8.811 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.601 -8.590 -4.619 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.530 -6.846 -4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.207 -7.066 -5.709 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.791 -8.651 -6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.806 -7.683 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.417 -6.093 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.748 -6.022 -8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.291 -6.314 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.085 -7.585 -8.742 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.672 -10.173 -1.091 1.00 0.00 N ATOM 1204 CA ASN A 76 -6.059 -11.535 -0.691 1.00 0.00 C ATOM 1205 C ASN A 76 -7.048 -11.570 0.491 1.00 0.00 C ATOM 1206 O ASN A 76 -7.978 -12.383 0.491 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.800 -12.358 -0.367 1.00 0.00 C ATOM 1208 CG ASN A 76 -4.111 -12.857 -1.626 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.466 -13.882 -2.191 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -3.125 -12.148 -2.120 1.00 0.00 N ATOM 0 H ASN A 76 -4.718 -9.936 -0.820 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.586 -11.976 -1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -4.105 -11.747 0.210 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.073 -13.208 0.259 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.656 -12.452 -2.973 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.827 -11.293 -1.651 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.828 -10.738 1.510 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.599 -10.677 2.745 1.00 0.00 C ATOM 1219 C CYS A 77 -9.100 -10.406 2.524 1.00 0.00 C ATOM 1220 O CYS A 77 -9.516 -9.478 1.820 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.931 -9.670 3.695 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.478 -9.901 5.417 1.00 0.00 S ATOM 0 H CYS A 77 -6.069 -10.056 1.492 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.586 -11.662 3.211 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.848 -9.781 3.639 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.165 -8.655 3.372 1.00 0.00 H new ATOM 0 HG CYS A 77 -6.995 -8.947 6.157 1.00 0.00 H new ATOM 1227 N THR A 78 -9.914 -11.265 3.140 1.00 0.00 N ATOM 1228 CA THR A 78 -11.388 -11.264 3.124 1.00 0.00 C ATOM 1229 C THR A 78 -11.963 -11.491 4.540 1.00 0.00 C ATOM 1230 O THR A 78 -13.153 -11.763 4.728 1.00 0.00 O ATOM 1231 CB THR A 78 -11.873 -12.279 2.065 1.00 0.00 C ATOM 1232 OG1 THR A 78 -13.243 -12.115 1.750 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.642 -13.743 2.454 1.00 0.00 C ATOM 0 H THR A 78 -9.543 -12.032 3.701 1.00 0.00 H new ATOM 0 HA THR A 78 -11.769 -10.286 2.830 1.00 0.00 H new ATOM 0 HB THR A 78 -11.260 -12.057 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.749 -11.941 2.571 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.009 -14.393 1.660 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.576 -13.916 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.176 -13.963 3.378 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.113 -11.341 5.567 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.418 -11.464 7.001 1.00 0.00 C ATOM 1243 C ARG A 79 -12.437 -10.404 7.441 1.00 0.00 C ATOM 1244 O ARG A 79 -12.331 -9.230 7.084 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.088 -11.360 7.767 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.206 -11.247 9.296 1.00 0.00 C ATOM 1247 CD ARG A 79 -8.876 -11.453 10.047 1.00 0.00 C ATOM 1248 NE ARG A 79 -7.695 -10.985 9.293 1.00 0.00 N ATOM 1249 CZ ARG A 79 -6.756 -11.711 8.724 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -6.626 -12.994 8.922 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -5.917 -11.153 7.919 1.00 0.00 N ATOM 0 H ARG A 79 -10.131 -11.116 5.408 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.884 -12.425 7.218 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.485 -12.237 7.531 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.544 -10.490 7.398 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.604 -10.264 9.547 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -10.928 -11.983 9.649 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -8.921 -10.926 11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -8.756 -12.512 10.274 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.595 -9.974 9.202 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.271 -13.482 9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.880 -13.509 8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.983 -10.154 7.726 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.187 -11.711 7.475 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.428 -10.837 8.227 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.539 -10.019 8.743 1.00 0.00 C ATOM 1267 C HIS A 80 -14.106 -8.745 9.483 1.00 0.00 C ATOM 1268 O HIS A 80 -14.779 -7.723 9.365 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.444 -10.885 9.638 1.00 0.00 C ATOM 1270 CG HIS A 80 -15.937 -12.151 8.977 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -15.792 -13.434 9.477 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -16.597 -12.230 7.782 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.355 -14.281 8.592 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -16.851 -13.573 7.553 1.00 0.00 N ATOM 0 H HIS A 80 -13.483 -11.807 8.536 1.00 0.00 H new ATOM 0 HA HIS A 80 -15.088 -9.666 7.870 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -14.896 -11.150 10.542 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.304 -10.292 9.949 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.868 -11.405 7.140 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -16.402 -15.355 8.697 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.330 -13.961 6.740 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.032 -8.807 10.275 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.545 -7.699 11.109 1.00 0.00 C ATOM 1285 C ASP A 81 -11.005 -7.555 11.181 1.00 0.00 C ATOM 1286 O ASP A 81 -10.449 -7.313 12.259 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.196 -7.807 12.506 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.660 -8.957 13.387 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.415 -10.077 12.877 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.533 -8.757 14.621 1.00 0.00 O ATOM 0 H ASP A 81 -12.462 -9.649 10.358 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.852 -6.773 10.623 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.047 -6.865 13.034 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.271 -7.936 12.381 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.304 -7.630 10.040 1.00 0.00 N ATOM 1296 CA CYS A 82 -8.856 -7.380 9.993 1.00 0.00 C ATOM 1297 C CYS A 82 -8.613 -5.896 10.384 1.00 0.00 C ATOM 1298 O CYS A 82 -9.374 -5.024 9.939 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.327 -7.682 8.581 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.590 -8.230 8.537 1.00 0.00 S ATOM 0 H CYS A 82 -10.717 -7.862 9.137 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.324 -8.027 10.690 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -8.951 -8.452 8.128 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.430 -6.787 7.967 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.292 -8.819 9.657 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.602 -5.563 11.211 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.354 -4.201 11.698 1.00 0.00 C ATOM 1307 C PRO A 83 -7.109 -3.121 10.630 1.00 0.00 C ATOM 1308 O PRO A 83 -7.186 -1.935 10.962 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.166 -4.319 12.664 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.467 -5.595 12.202 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.640 -6.477 11.802 1.00 0.00 C ATOM 0 HA PRO A 83 -8.266 -3.839 12.172 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.507 -3.453 12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.495 -4.393 13.700 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.793 -5.410 11.366 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.872 -6.044 12.997 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.334 -7.245 11.091 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.061 -6.992 12.665 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.823 -3.486 9.373 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.562 -2.525 8.279 1.00 0.00 C ATOM 1321 C VAL A 84 -7.509 -2.767 7.102 1.00 0.00 C ATOM 1322 O VAL A 84 -8.155 -1.838 6.618 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.104 -2.538 7.779 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.761 -1.124 7.288 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.100 -2.962 8.848 1.00 0.00 C ATOM 0 H VAL A 84 -6.765 -4.461 9.079 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.744 -1.539 8.707 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.031 -3.276 6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.733 -1.104 6.928 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.435 -0.847 6.478 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.872 -0.417 8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.094 -2.949 8.428 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.151 -2.271 9.689 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.337 -3.969 9.191 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.586 -4.009 6.626 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.381 -4.448 5.492 1.00 0.00 C ATOM 1337 C CYS A 85 -9.867 -4.065 5.611 1.00 0.00 C ATOM 1338 O CYS A 85 -10.419 -3.492 4.668 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.152 -5.958 5.301 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.381 -6.398 5.458 1.00 0.00 S ATOM 0 H CYS A 85 -7.063 -4.776 7.049 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.052 -3.923 4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.731 -6.511 6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.517 -6.260 4.319 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.201 -7.091 6.543 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.505 -4.350 6.756 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.907 -4.007 7.028 1.00 0.00 C ATOM 1347 C LEU A 86 -12.191 -2.498 6.853 1.00 0.00 C ATOM 1348 O LEU A 86 -12.995 -2.179 5.974 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.358 -4.602 8.382 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.850 -4.455 8.759 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.251 -3.053 9.223 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.789 -4.903 7.639 1.00 0.00 C ATOM 0 H LEU A 86 -10.052 -4.834 7.532 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.535 -4.477 6.271 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.113 -5.664 8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.764 -4.138 9.169 1.00 0.00 H new ATOM 0 HG LEU A 86 -13.963 -5.124 9.612 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.313 -3.040 9.467 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.673 -2.783 10.107 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.053 -2.336 8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.823 -4.778 7.959 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.609 -4.299 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.605 -5.952 7.408 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.584 -1.559 7.620 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.854 -0.125 7.468 1.00 0.00 C ATOM 1366 C PRO A 87 -11.583 0.411 6.051 1.00 0.00 C ATOM 1367 O PRO A 87 -12.315 1.282 5.580 1.00 0.00 O ATOM 1368 CB PRO A 87 -11.041 0.590 8.552 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.961 -0.411 8.951 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.630 -1.764 8.704 1.00 0.00 C ATOM 0 HA PRO A 87 -12.919 0.069 7.599 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.604 1.514 8.174 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.666 0.858 9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -9.060 -0.292 8.350 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.667 -0.292 9.994 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.892 -2.519 8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.134 -2.118 9.603 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.566 -0.105 5.349 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.266 0.256 3.956 1.00 0.00 C ATOM 1380 C LEU A 88 -11.379 -0.211 2.997 1.00 0.00 C ATOM 1381 O LEU A 88 -11.861 0.582 2.184 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.909 -0.329 3.550 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.694 0.336 4.215 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.460 -0.475 3.837 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.492 1.782 3.751 1.00 0.00 C ATOM 0 H LEU A 88 -9.920 -0.793 5.736 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.219 1.343 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.901 -1.392 3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.803 -0.247 2.468 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.859 0.359 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.577 -0.028 4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.574 -1.499 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.345 -0.478 2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.621 2.206 4.250 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.336 1.800 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.375 2.371 4.000 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.794 -1.483 3.085 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.870 -2.091 2.280 1.00 0.00 C ATOM 1399 C LYS A 89 -14.212 -1.387 2.511 1.00 0.00 C ATOM 1400 O LYS A 89 -14.861 -0.950 1.559 1.00 0.00 O ATOM 1401 CB LYS A 89 -12.966 -3.594 2.603 1.00 0.00 C ATOM 1402 CG LYS A 89 -13.981 -4.324 1.707 1.00 0.00 C ATOM 1403 CD LYS A 89 -14.239 -5.745 2.225 1.00 0.00 C ATOM 1404 CE LYS A 89 -15.093 -6.578 1.257 1.00 0.00 C ATOM 1405 NZ LYS A 89 -16.489 -6.075 1.142 1.00 0.00 N ATOM 0 H LYS A 89 -11.376 -2.143 3.741 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.627 -1.969 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.984 -4.052 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.251 -3.721 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.917 -3.766 1.680 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -13.606 -4.367 0.684 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.286 -6.248 2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -14.740 -5.691 3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.627 -6.573 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -15.111 -7.614 1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -17.020 -6.673 0.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.947 -6.104 2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.477 -5.095 0.793 1.00 0.00 H new ATOM 1731 N GLY B 114 8.356 7.811 11.921 1.00 0.00 N ATOM 1732 CA GLY B 114 8.858 8.384 10.668 1.00 0.00 C ATOM 1733 C GLY B 114 8.564 7.372 9.557 1.00 0.00 C ATOM 1734 O GLY B 114 7.400 7.063 9.297 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.372 9.337 10.459 1.00 0.00 H new ATOM 0 HA3 GLY B 114 9.928 8.580 10.736 1.00 0.00 H new ATOM 1738 N LEU B 115 9.614 6.773 8.991 1.00 0.00 N ATOM 1739 CA LEU B 115 9.543 5.638 8.069 1.00 0.00 C ATOM 1740 C LEU B 115 10.524 4.554 8.557 1.00 0.00 C ATOM 1741 O LEU B 115 11.728 4.828 8.647 1.00 0.00 O ATOM 1742 CB LEU B 115 9.863 6.034 6.619 1.00 0.00 C ATOM 1743 CG LEU B 115 8.780 6.835 5.880 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.250 7.004 4.437 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.415 6.146 5.827 1.00 0.00 C ATOM 0 H LEU B 115 10.572 7.076 9.169 1.00 0.00 H new ATOM 0 HA LEU B 115 8.520 5.261 8.066 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.782 6.620 6.619 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.064 5.125 6.052 1.00 0.00 H new ATOM 0 HG LEU B 115 8.649 7.771 6.422 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.506 7.570 3.876 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.199 7.540 4.424 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.381 6.023 3.980 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.709 6.778 5.288 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.510 5.189 5.314 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.052 5.979 6.841 1.00 0.00 H new ATOM 1757 N PRO B 116 10.050 3.337 8.882 1.00 0.00 N ATOM 1758 CA PRO B 116 10.899 2.248 9.359 1.00 0.00 C ATOM 1759 C PRO B 116 11.701 1.591 8.225 1.00 0.00 C ATOM 1760 O PRO B 116 11.479 1.844 7.037 1.00 0.00 O ATOM 1761 CB PRO B 116 9.913 1.244 9.968 1.00 0.00 C ATOM 1762 CG PRO B 116 8.699 1.388 9.051 1.00 0.00 C ATOM 1763 CD PRO B 116 8.661 2.896 8.827 1.00 0.00 C ATOM 0 HA PRO B 116 11.645 2.606 10.068 1.00 0.00 H new ATOM 0 HB2 PRO B 116 10.310 0.229 9.962 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.672 1.486 11.003 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.823 0.838 8.118 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.786 1.020 9.519 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.211 3.138 7.864 1.00 0.00 H new ATOM 0 HD3 PRO B 116 8.062 3.391 9.592 1.00 0.00 H new ATOM 1771 N GLN B 117 12.589 0.670 8.604 1.00 0.00 N ATOM 1772 CA GLN B 117 13.353 -0.182 7.690 1.00 0.00 C ATOM 1773 C GLN B 117 12.881 -1.630 7.857 1.00 0.00 C ATOM 1774 O GLN B 117 13.622 -2.527 8.268 1.00 0.00 O ATOM 1775 CB GLN B 117 14.868 0.021 7.863 1.00 0.00 C ATOM 1776 CG GLN B 117 15.322 1.299 7.147 1.00 0.00 C ATOM 1777 CD GLN B 117 16.808 1.578 7.360 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.208 2.377 8.199 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.689 0.939 6.615 1.00 0.00 N ATOM 0 H GLN B 117 12.803 0.491 9.585 1.00 0.00 H new ATOM 0 HA GLN B 117 13.163 0.101 6.655 1.00 0.00 H new ATOM 0 HB2 GLN B 117 15.114 0.084 8.923 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.405 -0.839 7.461 1.00 0.00 H new ATOM 0 HG2 GLN B 117 15.120 1.208 6.080 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.739 2.145 7.511 1.00 0.00 H new ATOM 0 HE21 GLN B 117 17.373 0.271 5.912 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.686 1.113 6.742 1.00 0.00 H new ATOM 1788 N LEU B 118 11.611 -1.837 7.494 1.00 0.00 N ATOM 1789 CA LEU B 118 10.971 -3.150 7.435 1.00 0.00 C ATOM 1790 C LEU B 118 11.588 -3.950 6.273 1.00 0.00 C ATOM 1791 O LEU B 118 12.305 -3.411 5.420 1.00 0.00 O ATOM 1792 CB LEU B 118 9.449 -2.979 7.244 1.00 0.00 C ATOM 1793 CG LEU B 118 8.700 -2.422 8.470 1.00 0.00 C ATOM 1794 CD1 LEU B 118 7.289 -2.002 8.067 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.581 -3.447 9.598 1.00 0.00 C ATOM 0 H LEU B 118 10.987 -1.076 7.227 1.00 0.00 H new ATOM 0 HA LEU B 118 11.135 -3.693 8.366 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.276 -2.314 6.398 1.00 0.00 H new ATOM 0 HB3 LEU B 118 9.019 -3.946 6.982 1.00 0.00 H new ATOM 0 HG LEU B 118 9.279 -1.572 8.831 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.764 -1.609 8.937 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.344 -1.231 7.298 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.750 -2.865 7.677 1.00 0.00 H new ATOM 0 HD21 LEU B 118 8.045 -3.004 10.437 1.00 0.00 H new ATOM 0 HD22 LEU B 118 8.036 -4.320 9.240 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.577 -3.749 9.922 1.00 0.00 H new ATOM 1807 N THR B 119 11.309 -5.247 6.236 1.00 0.00 N ATOM 1808 CA THR B 119 11.793 -6.168 5.203 1.00 0.00 C ATOM 1809 C THR B 119 10.677 -7.106 4.757 1.00 0.00 C ATOM 1810 O THR B 119 9.622 -7.197 5.394 1.00 0.00 O ATOM 1811 CB THR B 119 12.998 -6.988 5.704 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.624 -7.813 6.792 1.00 0.00 O ATOM 1813 CG2 THR B 119 14.178 -6.111 6.136 1.00 0.00 C ATOM 0 H THR B 119 10.726 -5.703 6.938 1.00 0.00 H new ATOM 0 HA THR B 119 12.117 -5.569 4.352 1.00 0.00 H new ATOM 0 HB THR B 119 13.320 -7.596 4.858 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.401 -8.327 7.095 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.996 -6.745 6.479 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.514 -5.511 5.290 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.865 -5.453 6.946 1.00 0.00 H new ATOM 1821 N SER B 120 10.932 -7.852 3.679 1.00 0.00 N ATOM 1822 CA SER B 120 10.050 -8.908 3.176 1.00 0.00 C ATOM 1823 C SER B 120 9.718 -9.885 4.307 1.00 0.00 C ATOM 1824 O SER B 120 8.545 -10.091 4.619 1.00 0.00 O ATOM 1825 CB SER B 120 10.698 -9.631 1.992 1.00 0.00 C ATOM 1826 OG SER B 120 12.094 -9.810 2.205 1.00 0.00 O ATOM 0 H SER B 120 11.777 -7.736 3.119 1.00 0.00 H new ATOM 0 HA SER B 120 9.121 -8.461 2.821 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.221 -10.601 1.848 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.536 -9.058 1.079 1.00 0.00 H new ATOM 0 HG SER B 120 12.485 -10.275 1.436 1.00 0.00 H new ATOM 1832 N TYR B 121 10.755 -10.422 4.959 1.00 0.00 N ATOM 1833 CA TYR B 121 10.666 -11.308 6.121 1.00 0.00 C ATOM 1834 C TYR B 121 9.769 -10.722 7.225 1.00 0.00 C ATOM 1835 O TYR B 121 8.792 -11.363 7.611 1.00 0.00 O ATOM 1836 CB TYR B 121 12.073 -11.623 6.649 1.00 0.00 C ATOM 1837 CG TYR B 121 12.076 -12.569 7.838 1.00 0.00 C ATOM 1838 CD1 TYR B 121 12.120 -13.961 7.629 1.00 0.00 C ATOM 1839 CD2 TYR B 121 12.000 -12.058 9.151 1.00 0.00 C ATOM 1840 CE1 TYR B 121 12.092 -14.844 8.727 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.957 -12.938 10.250 1.00 0.00 C ATOM 1842 CZ TYR B 121 12.009 -14.333 10.042 1.00 0.00 C ATOM 1843 OH TYR B 121 11.967 -15.178 11.110 1.00 0.00 O ATOM 0 H TYR B 121 11.719 -10.242 4.678 1.00 0.00 H new ATOM 0 HA TYR B 121 10.196 -12.239 5.802 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.665 -12.061 5.845 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.562 -10.692 6.934 1.00 0.00 H new ATOM 0 HD1 TYR B 121 12.175 -14.353 6.624 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.975 -10.991 9.314 1.00 0.00 H new ATOM 0 HE1 TYR B 121 12.134 -15.911 8.564 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.884 -12.545 11.253 1.00 0.00 H new ATOM 0 HH TYR B 121 11.912 -14.656 11.938 1.00 0.00 H new ATOM 1853 N ASP B 122 10.073 -9.516 7.728 1.00 0.00 N ATOM 1854 CA ASP B 122 9.278 -8.853 8.775 1.00 0.00 C ATOM 1855 C ASP B 122 7.789 -8.773 8.408 1.00 0.00 C ATOM 1856 O ASP B 122 6.938 -9.173 9.204 1.00 0.00 O ATOM 1857 CB ASP B 122 9.817 -7.444 9.093 1.00 0.00 C ATOM 1858 CG ASP B 122 10.959 -7.417 10.123 1.00 0.00 C ATOM 1859 OD1 ASP B 122 11.000 -8.280 11.031 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.776 -6.467 10.088 1.00 0.00 O ATOM 0 H ASP B 122 10.879 -8.971 7.420 1.00 0.00 H new ATOM 0 HA ASP B 122 9.374 -9.472 9.667 1.00 0.00 H new ATOM 0 HB2 ASP B 122 10.167 -6.985 8.168 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.996 -6.829 9.463 1.00 0.00 H new ATOM 1865 N CYS B 123 7.468 -8.274 7.214 1.00 0.00 N ATOM 1866 CA CYS B 123 6.093 -8.145 6.730 1.00 0.00 C ATOM 1867 C CYS B 123 5.387 -9.511 6.607 1.00 0.00 C ATOM 1868 O CYS B 123 4.278 -9.673 7.114 1.00 0.00 O ATOM 1869 CB CYS B 123 6.075 -7.359 5.415 1.00 0.00 C ATOM 1870 SG CYS B 123 6.754 -5.690 5.643 1.00 0.00 S ATOM 0 H CYS B 123 8.165 -7.944 6.547 1.00 0.00 H new ATOM 0 HA CYS B 123 5.521 -7.584 7.469 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.655 -7.891 4.661 1.00 0.00 H new ATOM 0 HB3 CYS B 123 5.053 -7.292 5.042 1.00 0.00 H new ATOM 0 HG CYS B 123 8.053 -5.743 5.622 1.00 0.00 H new ATOM 1876 N GLU B 124 6.021 -10.501 5.968 1.00 0.00 N ATOM 1877 CA GLU B 124 5.512 -11.876 5.814 1.00 0.00 C ATOM 1878 C GLU B 124 5.180 -12.528 7.168 1.00 0.00 C ATOM 1879 O GLU B 124 4.175 -13.230 7.295 1.00 0.00 O ATOM 1880 CB GLU B 124 6.538 -12.751 5.068 1.00 0.00 C ATOM 1881 CG GLU B 124 6.546 -12.524 3.550 1.00 0.00 C ATOM 1882 CD GLU B 124 7.528 -13.477 2.846 1.00 0.00 C ATOM 1883 OE1 GLU B 124 8.755 -13.413 3.095 1.00 0.00 O ATOM 1884 OE2 GLU B 124 7.084 -14.315 2.023 1.00 0.00 O ATOM 0 H GLU B 124 6.932 -10.367 5.529 1.00 0.00 H new ATOM 0 HA GLU B 124 4.591 -11.808 5.235 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.533 -12.547 5.463 1.00 0.00 H new ATOM 0 HB3 GLU B 124 6.324 -13.801 5.270 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.542 -12.674 3.153 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.822 -11.491 3.336 1.00 0.00 H new ATOM 1891 N VAL B 125 6.038 -12.322 8.169 1.00 0.00 N ATOM 1892 CA VAL B 125 5.929 -12.833 9.543 1.00 0.00 C ATOM 1893 C VAL B 125 4.813 -12.143 10.336 1.00 0.00 C ATOM 1894 O VAL B 125 3.980 -12.816 10.945 1.00 0.00 O ATOM 1895 CB VAL B 125 7.302 -12.680 10.240 1.00 0.00 C ATOM 1896 CG1 VAL B 125 7.268 -12.741 11.771 1.00 0.00 C ATOM 1897 CG2 VAL B 125 8.248 -13.781 9.744 1.00 0.00 C ATOM 0 H VAL B 125 6.879 -11.761 8.037 1.00 0.00 H new ATOM 0 HA VAL B 125 5.654 -13.887 9.504 1.00 0.00 H new ATOM 0 HB VAL B 125 7.644 -11.679 9.977 1.00 0.00 H new ATOM 0 HG11 VAL B 125 8.279 -12.624 12.162 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.636 -11.940 12.153 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.865 -13.703 12.088 1.00 0.00 H new ATOM 0 HG21 VAL B 125 9.216 -13.676 10.233 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.826 -14.758 9.981 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.375 -13.693 8.665 1.00 0.00 H new ATOM 1907 N ASN B 126 4.812 -10.809 10.379 1.00 0.00 N ATOM 1908 CA ASN B 126 3.885 -9.997 11.177 1.00 0.00 C ATOM 1909 C ASN B 126 2.468 -9.861 10.590 1.00 0.00 C ATOM 1910 O ASN B 126 1.511 -9.750 11.361 1.00 0.00 O ATOM 1911 CB ASN B 126 4.535 -8.635 11.457 1.00 0.00 C ATOM 1912 CG ASN B 126 5.668 -8.756 12.460 1.00 0.00 C ATOM 1913 OD1 ASN B 126 5.477 -8.623 13.655 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.868 -9.064 12.034 1.00 0.00 N ATOM 0 H ASN B 126 5.474 -10.246 9.845 1.00 0.00 H new ATOM 0 HA ASN B 126 3.715 -10.530 12.113 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.915 -8.214 10.526 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.783 -7.943 11.837 1.00 0.00 H new ATOM 0 HD21 ASN B 126 7.629 -9.190 12.701 1.00 0.00 H new ATOM 0 HD22 ASN B 126 7.041 -9.178 11.035 1.00 0.00 H new ATOM 1921 N ALA B 127 2.312 -9.878 9.263 1.00 0.00 N ATOM 1922 CA ALA B 127 1.018 -9.798 8.575 1.00 0.00 C ATOM 1923 C ALA B 127 0.917 -10.833 7.421 1.00 0.00 C ATOM 1924 O ALA B 127 0.913 -10.451 6.244 1.00 0.00 O ATOM 1925 CB ALA B 127 0.809 -8.344 8.120 1.00 0.00 C ATOM 0 H ALA B 127 3.101 -9.950 8.621 1.00 0.00 H new ATOM 0 HA ALA B 127 0.208 -10.065 9.253 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.148 -8.258 7.605 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.814 -7.686 8.989 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.613 -8.056 7.443 1.00 0.00 H new ATOM 1931 N PRO B 128 0.817 -12.145 7.731 1.00 0.00 N ATOM 1932 CA PRO B 128 0.725 -13.215 6.730 1.00 0.00 C ATOM 1933 C PRO B 128 -0.431 -13.028 5.736 1.00 0.00 C ATOM 1934 O PRO B 128 -1.568 -12.757 6.128 1.00 0.00 O ATOM 1935 CB PRO B 128 0.556 -14.522 7.519 1.00 0.00 C ATOM 1936 CG PRO B 128 1.096 -14.198 8.908 1.00 0.00 C ATOM 1937 CD PRO B 128 0.780 -12.717 9.072 1.00 0.00 C ATOM 0 HA PRO B 128 1.624 -13.215 6.114 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.489 -14.829 7.560 1.00 0.00 H new ATOM 0 HB3 PRO B 128 1.110 -15.339 7.058 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.613 -14.800 9.678 1.00 0.00 H new ATOM 0 HG3 PRO B 128 2.167 -14.391 8.978 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.199 -12.576 9.529 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.508 -12.233 9.723 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.139 -13.190 4.444 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.113 -13.093 3.344 1.00 0.00 C ATOM 1947 C ILE B 129 -2.078 -14.291 3.424 1.00 0.00 C ATOM 1948 O ILE B 129 -1.637 -15.434 3.577 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.375 -13.078 1.983 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.656 -11.926 1.864 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.373 -12.961 0.815 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.797 -12.276 0.901 1.00 0.00 C ATOM 0 H ILE B 129 0.806 -13.398 4.120 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.681 -12.167 3.433 1.00 0.00 H new ATOM 0 HB ILE B 129 0.163 -14.025 1.931 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.153 -11.023 1.518 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.067 -11.704 2.849 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.829 -12.953 -0.129 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -2.055 -13.811 0.833 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.942 -12.037 0.914 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.496 -11.442 0.847 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.318 -13.163 1.261 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.389 -12.472 -0.091 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.392 -14.046 3.324 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.415 -15.102 3.380 1.00 0.00 C ATOM 1966 C GLN B 130 -4.242 -16.147 2.259 1.00 0.00 C ATOM 1967 O GLN B 130 -3.913 -15.813 1.118 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.828 -14.496 3.338 1.00 0.00 C ATOM 1969 CG GLN B 130 -6.169 -13.639 4.568 1.00 0.00 C ATOM 1970 CD GLN B 130 -6.009 -14.381 5.893 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -5.174 -14.059 6.729 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -6.805 -15.399 6.149 1.00 0.00 N ATOM 0 H GLN B 130 -3.777 -13.109 3.202 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.282 -15.622 4.329 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.925 -13.884 2.441 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -6.557 -15.302 3.254 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -5.528 -12.757 4.575 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -7.196 -13.286 4.481 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -7.507 -15.682 5.465 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -6.720 -15.904 7.031 1.00 0.00 H new ATOM 2037 N LEU B 135 3.751 -12.816 -3.602 1.00 0.00 N ATOM 2038 CA LEU B 135 3.928 -11.388 -3.833 1.00 0.00 C ATOM 2039 C LEU B 135 3.313 -10.903 -5.146 1.00 0.00 C ATOM 2040 O LEU B 135 3.691 -11.332 -6.237 1.00 0.00 O ATOM 2041 CB LEU B 135 5.407 -11.018 -3.707 1.00 0.00 C ATOM 2042 CG LEU B 135 6.001 -11.313 -2.318 1.00 0.00 C ATOM 2043 CD1 LEU B 135 7.387 -10.680 -2.260 1.00 0.00 C ATOM 2044 CD2 LEU B 135 5.183 -10.765 -1.145 1.00 0.00 C ATOM 0 HA LEU B 135 3.372 -10.860 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU B 135 5.975 -11.565 -4.459 1.00 0.00 H new ATOM 0 HB3 LEU B 135 5.527 -9.957 -3.926 1.00 0.00 H new ATOM 0 HG LEU B 135 6.013 -12.397 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU B 135 7.834 -10.873 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.016 -11.110 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU B 135 7.302 -9.604 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU B 135 5.676 -11.020 -0.207 1.00 0.00 H new ATOM 0 HD22 LEU B 135 5.105 -9.681 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU B 135 4.185 -11.203 -1.161 1.00 0.00 H new ATOM 2056 N LEU B 136 2.374 -9.974 -4.994 1.00 0.00 N ATOM 2057 CA LEU B 136 1.646 -9.220 -6.015 1.00 0.00 C ATOM 2058 C LEU B 136 2.651 -8.360 -6.832 1.00 0.00 C ATOM 2059 O LEU B 136 3.518 -7.712 -6.241 1.00 0.00 O ATOM 2060 CB LEU B 136 0.617 -8.390 -5.211 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.633 -7.852 -5.911 1.00 0.00 C ATOM 2062 CD1 LEU B 136 -0.311 -7.047 -7.150 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.629 -8.940 -6.304 1.00 0.00 C ATOM 0 H LEU B 136 2.072 -9.702 -4.059 1.00 0.00 H new ATOM 0 HA LEU B 136 1.134 -9.834 -6.755 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.283 -9.005 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.146 -7.537 -4.787 1.00 0.00 H new ATOM 0 HG LEU B 136 -1.090 -7.207 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -1.236 -6.692 -7.604 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.311 -6.194 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.225 -7.674 -7.862 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -2.489 -8.485 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -1.150 -9.642 -6.987 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.959 -9.471 -5.411 1.00 0.00 H new ATOM 2075 N GLN B 137 2.575 -8.369 -8.173 1.00 0.00 N ATOM 2076 CA GLN B 137 3.524 -7.677 -9.076 1.00 0.00 C ATOM 2077 C GLN B 137 2.873 -6.813 -10.174 1.00 0.00 C ATOM 2078 O GLN B 137 1.708 -6.991 -10.526 1.00 0.00 O ATOM 2079 CB GLN B 137 4.409 -8.714 -9.804 1.00 0.00 C ATOM 2080 CG GLN B 137 5.098 -9.767 -8.931 1.00 0.00 C ATOM 2081 CD GLN B 137 6.066 -9.205 -7.891 1.00 0.00 C ATOM 2082 OE1 GLN B 137 6.600 -8.109 -7.991 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.326 -9.954 -6.843 1.00 0.00 N ATOM 0 H GLN B 137 1.839 -8.866 -8.675 1.00 0.00 H new ATOM 0 HA GLN B 137 4.086 -7.015 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN B 137 3.792 -9.232 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.178 -8.175 -10.358 1.00 0.00 H new ATOM 0 HG2 GLN B 137 4.333 -10.349 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN B 137 5.642 -10.455 -9.578 1.00 0.00 H new ATOM 0 HE21 GLN B 137 5.887 -10.870 -6.749 1.00 0.00 H new ATOM 0 HE22 GLN B 137 6.967 -9.620 -6.124 1.00 0.00 H new ATOM 2092 N GLY B 138 3.677 -5.925 -10.773 1.00 0.00 N ATOM 2093 CA GLY B 138 3.352 -5.064 -11.919 1.00 0.00 C ATOM 2094 C GLY B 138 2.024 -4.306 -11.846 1.00 0.00 C ATOM 2095 O GLY B 138 1.673 -3.768 -10.802 1.00 0.00 O ATOM 0 H GLY B 138 4.633 -5.779 -10.450 1.00 0.00 H new ATOM 0 HA2 GLY B 138 4.155 -4.336 -12.038 1.00 0.00 H new ATOM 0 HA3 GLY B 138 3.345 -5.680 -12.818 1.00 0.00 H new ATOM 2099 N GLU B 139 1.297 -4.207 -12.965 1.00 0.00 N ATOM 2100 CA GLU B 139 0.040 -3.439 -13.056 1.00 0.00 C ATOM 2101 C GLU B 139 -1.024 -3.861 -12.026 1.00 0.00 C ATOM 2102 O GLU B 139 -1.783 -3.017 -11.552 1.00 0.00 O ATOM 2103 CB GLU B 139 -0.503 -3.445 -14.494 1.00 0.00 C ATOM 2104 CG GLU B 139 -1.445 -2.255 -14.737 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.906 -2.168 -16.204 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -1.089 -1.813 -17.088 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -3.101 -2.443 -16.478 1.00 0.00 O ATOM 0 H GLU B 139 1.562 -4.658 -13.840 1.00 0.00 H new ATOM 0 HA GLU B 139 0.288 -2.411 -12.792 1.00 0.00 H new ATOM 0 HB2 GLU B 139 0.327 -3.405 -15.199 1.00 0.00 H new ATOM 0 HB3 GLU B 139 -1.035 -4.378 -14.681 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -2.317 -2.346 -14.089 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.938 -1.330 -14.462 1.00 0.00 H new ATOM 2114 N GLU B 140 -1.054 -5.138 -11.617 1.00 0.00 N ATOM 2115 CA GLU B 140 -1.948 -5.625 -10.554 1.00 0.00 C ATOM 2116 C GLU B 140 -1.774 -4.836 -9.247 1.00 0.00 C ATOM 2117 O GLU B 140 -2.764 -4.672 -8.526 1.00 0.00 O ATOM 2118 CB GLU B 140 -1.775 -7.131 -10.296 1.00 0.00 C ATOM 2119 CG GLU B 140 -2.402 -8.032 -11.364 1.00 0.00 C ATOM 2120 CD GLU B 140 -3.939 -7.973 -11.324 1.00 0.00 C ATOM 2121 OE1 GLU B 140 -4.533 -8.370 -10.292 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -4.560 -7.495 -12.302 1.00 0.00 O ATOM 0 H GLU B 140 -0.458 -5.864 -12.014 1.00 0.00 H new ATOM 0 HA GLU B 140 -2.963 -5.460 -10.915 1.00 0.00 H new ATOM 0 HB2 GLU B 140 -0.711 -7.356 -10.228 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -2.215 -7.374 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -2.051 -7.727 -12.350 1.00 0.00 H new ATOM 0 HG3 GLU B 140 -2.073 -9.060 -11.213 1.00 0.00 H new ATOM 2129 N LEU B 141 -0.562 -4.330 -8.952 1.00 0.00 N ATOM 2130 CA LEU B 141 -0.274 -3.473 -7.795 1.00 0.00 C ATOM 2131 C LEU B 141 -1.165 -2.233 -7.897 1.00 0.00 C ATOM 2132 O LEU B 141 -2.012 -1.998 -7.042 1.00 0.00 O ATOM 2133 CB LEU B 141 1.203 -3.015 -7.755 1.00 0.00 C ATOM 2134 CG LEU B 141 2.277 -4.077 -7.454 1.00 0.00 C ATOM 2135 CD1 LEU B 141 3.641 -3.562 -7.917 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.380 -4.336 -5.954 1.00 0.00 C ATOM 0 H LEU B 141 0.261 -4.512 -9.527 1.00 0.00 H new ATOM 0 HA LEU B 141 -0.467 -4.045 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.440 -2.563 -8.718 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.290 -2.229 -7.005 1.00 0.00 H new ATOM 0 HG LEU B 141 1.997 -4.994 -7.973 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.404 -4.311 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU B 141 3.611 -3.367 -8.989 1.00 0.00 H new ATOM 0 HD13 LEU B 141 3.881 -2.640 -7.387 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.145 -5.090 -5.767 1.00 0.00 H new ATOM 0 HD22 LEU B 141 2.648 -3.412 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.420 -4.692 -5.580 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.980 -1.455 -8.968 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.712 -0.220 -9.250 1.00 0.00 C ATOM 2150 C LEU B 142 -3.227 -0.451 -9.218 1.00 0.00 C ATOM 2151 O LEU B 142 -3.936 0.300 -8.553 1.00 0.00 O ATOM 2152 CB LEU B 142 -1.250 0.410 -10.575 1.00 0.00 C ATOM 2153 CG LEU B 142 0.274 0.557 -10.774 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.527 1.564 -11.893 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.031 1.050 -9.538 1.00 0.00 C ATOM 0 H LEU B 142 -0.291 -1.677 -9.687 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.483 0.494 -8.459 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.645 -0.191 -11.394 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.702 1.398 -10.659 1.00 0.00 H new ATOM 0 HG LEU B 142 0.643 -0.443 -11.003 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.600 1.678 -12.044 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.066 1.207 -12.814 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.095 2.527 -11.620 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.094 1.124 -9.768 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.654 2.030 -9.247 1.00 0.00 H new ATOM 0 HD23 LEU B 142 0.885 0.347 -8.718 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.717 -1.505 -9.885 1.00 0.00 N ATOM 2168 CA ARG B 143 -5.135 -1.921 -9.887 1.00 0.00 C ATOM 2169 C ARG B 143 -5.659 -2.117 -8.457 1.00 0.00 C ATOM 2170 O ARG B 143 -6.739 -1.623 -8.131 1.00 0.00 O ATOM 2171 CB ARG B 143 -5.318 -3.196 -10.729 1.00 0.00 C ATOM 2172 CG ARG B 143 -5.067 -2.983 -12.235 1.00 0.00 C ATOM 2173 CD ARG B 143 -5.000 -4.341 -12.945 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.626 -4.228 -14.365 1.00 0.00 N ATOM 2175 CZ ARG B 143 -4.500 -5.225 -15.222 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -4.672 -6.473 -14.888 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -4.180 -4.979 -16.457 1.00 0.00 N ATOM 0 H ARG B 143 -3.126 -2.111 -10.455 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.724 -1.125 -10.342 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -4.638 -3.965 -10.361 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -6.331 -3.572 -10.588 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.864 -2.376 -12.664 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -4.135 -2.437 -12.385 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -4.277 -4.977 -12.434 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.969 -4.834 -12.868 1.00 0.00 H new ATOM 0 HE ARG B 143 -4.447 -3.289 -14.721 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -4.915 -6.715 -13.927 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -4.563 -7.208 -15.587 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -4.027 -4.018 -16.762 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -4.082 -5.747 -17.121 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.895 -2.803 -7.601 1.00 0.00 N ATOM 2192 CA ALA B 144 -5.215 -3.008 -6.186 1.00 0.00 C ATOM 2193 C ALA B 144 -5.290 -1.662 -5.434 1.00 0.00 C ATOM 2194 O ALA B 144 -6.297 -1.385 -4.785 1.00 0.00 O ATOM 2195 CB ALA B 144 -4.202 -3.972 -5.547 1.00 0.00 C ATOM 0 H ALA B 144 -4.017 -3.241 -7.880 1.00 0.00 H new ATOM 0 HA ALA B 144 -6.201 -3.466 -6.111 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -4.450 -4.116 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -4.237 -4.931 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -3.199 -3.553 -5.629 1.00 0.00 H new ATOM 2201 N LEU B 145 -4.260 -0.810 -5.536 1.00 0.00 N ATOM 2202 CA LEU B 145 -4.224 0.521 -4.904 1.00 0.00 C ATOM 2203 C LEU B 145 -5.406 1.410 -5.337 1.00 0.00 C ATOM 2204 O LEU B 145 -5.998 2.120 -4.528 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.916 1.272 -5.224 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.582 0.578 -4.915 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.417 1.483 -5.272 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.413 0.197 -3.458 1.00 0.00 C ATOM 0 H LEU B 145 -3.416 -1.027 -6.066 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.290 0.333 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.925 1.517 -6.286 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.933 2.216 -4.679 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.594 -0.332 -5.515 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.521 0.975 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.454 1.721 -6.335 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.480 2.403 -4.691 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.447 -0.288 -3.318 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.462 1.093 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -2.209 -0.489 -3.167 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.728 1.409 -6.630 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.780 2.216 -7.255 1.00 0.00 C ATOM 2222 C ASP B 146 -8.209 1.913 -6.772 1.00 0.00 C ATOM 2223 O ASP B 146 -9.085 2.772 -6.894 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.676 2.053 -8.779 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.399 3.165 -9.542 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -6.942 4.328 -9.464 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.348 2.880 -10.308 1.00 0.00 O ATOM 0 H ASP B 146 -5.241 0.818 -7.304 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.607 3.248 -6.951 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.625 2.043 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -7.095 1.089 -9.067 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.468 0.718 -6.222 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.798 0.340 -5.718 1.00 0.00 C ATOM 2234 C GLN B 147 -10.269 1.198 -4.523 1.00 0.00 C ATOM 2235 O GLN B 147 -11.474 1.288 -4.272 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.877 -1.176 -5.449 1.00 0.00 C ATOM 2237 CG GLN B 147 -9.478 -1.618 -4.031 1.00 0.00 C ATOM 2238 CD GLN B 147 -9.314 -3.136 -3.905 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -9.950 -3.932 -4.587 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -8.471 -3.609 -3.011 1.00 0.00 N ATOM 0 H GLN B 147 -7.764 -0.012 -6.114 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.513 0.563 -6.509 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.897 -1.509 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -9.234 -1.688 -6.165 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.542 -1.132 -3.754 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -10.235 -1.279 -3.324 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.930 -2.968 -2.431 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -8.359 -4.617 -2.899 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.347 1.844 -3.791 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.651 2.734 -2.654 1.00 0.00 C ATOM 2251 C VAL B 148 -10.456 3.944 -3.148 1.00 0.00 C ATOM 2252 O VAL B 148 -9.950 4.759 -3.924 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.377 3.252 -1.954 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -8.747 3.954 -0.640 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.367 2.167 -1.583 1.00 0.00 C ATOM 0 H VAL B 148 -8.347 1.762 -3.976 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.222 2.147 -1.935 1.00 0.00 H new ATOM 0 HB VAL B 148 -7.918 3.918 -2.684 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -7.841 4.316 -0.153 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.407 4.795 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.256 3.250 0.018 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.505 2.623 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.832 1.454 -0.903 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.042 1.649 -2.485 1.00 0.00 H new ATOM 2265 N ASN B 149 -11.710 4.071 -2.701 1.00 0.00 N ATOM 2266 CA ASN B 149 -12.626 5.161 -3.068 1.00 0.00 C ATOM 2267 C ASN B 149 -13.604 5.543 -1.937 1.00 0.00 C ATOM 2268 O ASN B 149 -14.040 6.717 -1.907 1.00 0.00 O ATOM 2269 CB ASN B 149 -13.363 4.780 -4.375 1.00 0.00 C ATOM 2270 CG ASN B 149 -14.462 3.735 -4.210 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -15.647 4.046 -4.175 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -14.121 2.468 -4.137 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.920 4.681 -1.083 1.00 0.00 O ATOM 0 H ASN B 149 -12.129 3.401 -2.056 1.00 0.00 H new ATOM 0 HA ASN B 149 -12.034 6.061 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -13.800 5.681 -4.805 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -12.632 4.407 -5.092 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -14.841 1.750 -4.052 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -13.137 2.202 -4.166 1.00 0.00 H new