USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1078 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 126 ASN : amide:sc= 0.787 K(o=1.7,f=-6.8!) USER MOD Set 1.2: A 129 LYS NZ :NH3+ -127:sc= 0.934 (180deg=0) USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 114 GLN : amide:sc=-0.000115 K(o=-0.00012,f=0.83) USER MOD Set 3.1: A 107 GLN : amide:sc= -2.25! C(o=-0.98!,f=-6!) USER MOD Set 3.2: A 108 SER OG : rot 45:sc= 1.27 USER MOD Set 4.1: A 49 GLN : amide:sc= -5.26 K(o=-8.8,f=-9.5!) USER MOD Set 4.2: A 71 CYS SG : rot -102:sc= -3.55! USER MOD Single : A 1 ALA N :NH3+ 172:sc=-0.00234 (180deg=-0.0841) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 GLN : amide:sc= -1.19 K(o=-1.2,f=-0.64) USER MOD Single : A 8 MET CE :methyl -145:sc= -0.188 (180deg=-0.874) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.392 X(o=-0.39,f=-0.022) USER MOD Single : A 12 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.44) USER MOD Single : A 25 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.12) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0449 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.524 (180deg=-1.06) USER MOD Single : A 30 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.045) USER MOD Single : A 31 ASN : amide:sc= -0.0401 K(o=-0.04,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.0983 (180deg=-0.00675) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HE2:sc= -9.24! C(o=-9.2!,f=-11!) USER MOD Single : A 50 MET CE :methyl 180:sc= -4.55! (180deg=-4.55!) USER MOD Single : A 53 HIS : no HD1:sc= -3.91 K(o=-3.9,f=-3.3!) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -0.0342 (180deg=-0.251) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc=-0.000936 (180deg=-0.0963) USER MOD Single : A 68 MET CE :methyl 152:sc= -0.237 (180deg=-1.05) USER MOD Single : A 70 MET CE :methyl 174:sc= -9.21! (180deg=-10.2!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.399 K(o=0.4,f=-0.2) USER MOD Single : A 78 THR OG1 : rot -91:sc= -1.38 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 CYS SG : rot 130:sc= -2.05 USER MOD Single : A 104 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.021) USER MOD Single : A 105 TYR OH : rot -29:sc= -0.0482 USER MOD Single : A 118 THR OG1 : rot -69:sc= 1.12 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 78:sc= -1.3 USER MOD Single : A 123 MET CE :methyl 169:sc= -10.4! (180deg=-10.7!) USER MOD Single : A 125 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.819 24.779 9.656 1.00 0.00 N ATOM 2 CA ALA A 1 -4.380 24.502 9.406 1.00 0.00 C ATOM 3 C ALA A 1 -4.197 23.192 8.647 1.00 0.00 C ATOM 4 O ALA A 1 -3.277 22.424 8.927 1.00 0.00 O ATOM 5 CB ALA A 1 -3.616 24.461 10.721 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.910 25.600 10.288 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.295 24.982 8.754 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.260 23.949 10.102 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.982 25.308 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.563 24.257 10.524 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.711 25.422 11.227 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -4.025 23.675 11.355 1.00 0.00 H new ATOM 13 N ARG A 2 -5.078 22.945 7.681 1.00 0.00 N ATOM 14 CA ARG A 2 -5.013 21.728 6.880 1.00 0.00 C ATOM 15 C ARG A 2 -3.644 21.583 6.224 1.00 0.00 C ATOM 16 O ARG A 2 -2.949 20.590 6.427 1.00 0.00 O ATOM 17 CB ARG A 2 -6.109 21.735 5.812 1.00 0.00 C ATOM 18 CG ARG A 2 -7.359 20.971 6.220 1.00 0.00 C ATOM 19 CD ARG A 2 -7.845 20.050 5.109 1.00 0.00 C ATOM 20 NE ARG A 2 -9.070 20.547 4.486 1.00 0.00 N ATOM 21 CZ ARG A 2 -9.517 20.133 3.302 1.00 0.00 C ATOM 22 NH1 ARG A 2 -8.846 19.220 2.613 1.00 0.00 N ATOM 23 NH2 ARG A 2 -10.641 20.635 2.808 1.00 0.00 N ATOM 0 H ARG A 2 -5.844 23.572 7.435 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.170 20.877 7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.380 22.767 5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -5.713 21.303 4.893 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.151 20.384 7.114 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.148 21.677 6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.067 19.952 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -8.022 19.054 5.515 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.613 21.251 4.986 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.982 18.830 2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.194 18.907 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.161 21.337 3.335 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.985 20.319 1.901 1.00 0.00 H new ATOM 37 N GLN A 3 -3.266 22.589 5.445 1.00 0.00 N ATOM 38 CA GLN A 3 -1.978 22.586 4.757 1.00 0.00 C ATOM 39 C GLN A 3 -0.838 22.353 5.741 1.00 0.00 C ATOM 40 O GLN A 3 0.107 21.621 5.452 1.00 0.00 O ATOM 41 CB GLN A 3 -1.771 23.911 4.018 1.00 0.00 C ATOM 42 CG GLN A 3 -0.416 24.028 3.341 1.00 0.00 C ATOM 43 CD GLN A 3 -0.515 24.022 1.828 1.00 0.00 C ATOM 44 OE1 GLN A 3 -0.429 25.067 1.184 1.00 0.00 O ATOM 45 NE2 GLN A 3 -0.697 22.840 1.252 1.00 0.00 N ATOM 0 H GLN A 3 -3.833 23.419 5.273 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.979 21.771 4.033 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -2.553 24.024 3.267 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.886 24.733 4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.069 24.948 3.666 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.219 23.202 3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.763 21.998 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.771 22.773 0.237 1.00 0.00 H new ATOM 54 N GLN A 4 -0.937 22.978 6.909 1.00 0.00 N ATOM 55 CA GLN A 4 0.084 22.833 7.940 1.00 0.00 C ATOM 56 C GLN A 4 0.253 21.367 8.326 1.00 0.00 C ATOM 57 O GLN A 4 1.366 20.906 8.578 1.00 0.00 O ATOM 58 CB GLN A 4 -0.282 23.661 9.172 1.00 0.00 C ATOM 59 CG GLN A 4 0.801 23.676 10.239 1.00 0.00 C ATOM 60 CD GLN A 4 2.111 24.249 9.734 1.00 0.00 C ATOM 61 OE1 GLN A 4 2.466 25.386 10.046 1.00 0.00 O ATOM 62 NE2 GLN A 4 2.837 23.464 8.947 1.00 0.00 N ATOM 0 H GLN A 4 -1.713 23.589 7.165 1.00 0.00 H new ATOM 0 HA GLN A 4 1.029 23.198 7.539 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.490 24.685 8.862 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -1.201 23.266 9.605 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.457 24.262 11.092 1.00 0.00 H new ATOM 0 HG3 GLN A 4 0.967 22.660 10.597 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.505 22.528 8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.727 23.797 8.576 1.00 0.00 H new ATOM 71 N GLU A 5 -0.858 20.639 8.361 1.00 0.00 N ATOM 72 CA GLU A 5 -0.830 19.220 8.706 1.00 0.00 C ATOM 73 C GLU A 5 -0.205 18.422 7.573 1.00 0.00 C ATOM 74 O GLU A 5 0.788 17.720 7.763 1.00 0.00 O ATOM 75 CB GLU A 5 -2.243 18.699 8.994 1.00 0.00 C ATOM 76 CG GLU A 5 -3.185 19.752 9.552 1.00 0.00 C ATOM 77 CD GLU A 5 -4.127 19.196 10.603 1.00 0.00 C ATOM 78 OE1 GLU A 5 -5.034 18.420 10.236 1.00 0.00 O ATOM 79 OE2 GLU A 5 -3.953 19.534 11.793 1.00 0.00 O ATOM 0 H GLU A 5 -1.787 21.006 8.155 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.229 19.099 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -2.667 18.298 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.178 17.872 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.601 20.563 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.768 20.180 8.737 1.00 0.00 H new ATOM 86 N ILE A 6 -0.788 18.553 6.388 1.00 0.00 N ATOM 87 CA ILE A 6 -0.289 17.867 5.205 1.00 0.00 C ATOM 88 C ILE A 6 1.183 18.176 4.997 1.00 0.00 C ATOM 89 O ILE A 6 2.037 17.292 5.031 1.00 0.00 O ATOM 90 CB ILE A 6 -1.060 18.311 3.943 1.00 0.00 C ATOM 91 CG1 ILE A 6 -2.538 17.943 4.059 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.449 17.704 2.687 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.436 19.152 4.187 1.00 0.00 C ATOM 0 H ILE A 6 -1.611 19.132 6.221 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.430 16.798 5.362 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.982 19.395 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.834 17.368 3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.680 17.298 4.926 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.011 18.033 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.588 18.027 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.486 16.617 2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.474 18.828 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.163 19.715 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.320 19.786 3.308 1.00 0.00 H new ATOM 105 N ASP A 7 1.455 19.453 4.771 1.00 0.00 N ATOM 106 CA ASP A 7 2.811 19.926 4.539 1.00 0.00 C ATOM 107 C ASP A 7 3.529 19.053 3.514 1.00 0.00 C ATOM 108 O ASP A 7 4.144 18.044 3.861 1.00 0.00 O ATOM 109 CB ASP A 7 3.599 19.958 5.851 1.00 0.00 C ATOM 110 CG ASP A 7 5.002 20.504 5.671 1.00 0.00 C ATOM 111 OD1 ASP A 7 5.876 19.748 5.196 1.00 0.00 O ATOM 112 OD2 ASP A 7 5.226 21.687 6.005 1.00 0.00 O ATOM 0 H ASP A 7 0.746 20.186 4.743 1.00 0.00 H new ATOM 0 HA ASP A 7 2.750 20.939 4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.065 20.570 6.577 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.655 18.950 6.263 1.00 0.00 H new ATOM 117 N MET A 8 3.444 19.451 2.249 1.00 0.00 N ATOM 118 CA MET A 8 4.079 18.711 1.169 1.00 0.00 C ATOM 119 C MET A 8 5.513 19.169 0.975 1.00 0.00 C ATOM 120 O MET A 8 5.868 19.761 -0.044 1.00 0.00 O ATOM 121 CB MET A 8 3.283 18.865 -0.121 1.00 0.00 C ATOM 122 CG MET A 8 2.565 17.593 -0.513 1.00 0.00 C ATOM 123 SD MET A 8 1.396 17.835 -1.864 1.00 0.00 S ATOM 124 CE MET A 8 0.207 18.928 -1.091 1.00 0.00 C ATOM 0 H MET A 8 2.940 20.285 1.948 1.00 0.00 H new ATOM 0 HA MET A 8 4.095 17.655 1.438 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.555 19.667 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.955 19.162 -0.926 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.299 16.842 -0.805 1.00 0.00 H new ATOM 0 HG3 MET A 8 2.034 17.199 0.354 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.792 18.700 -1.462 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.233 18.789 -0.010 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.455 19.962 -1.329 1.00 0.00 H new ATOM 134 N LYS A 9 6.327 18.880 1.972 1.00 0.00 N ATOM 135 CA LYS A 9 7.738 19.245 1.949 1.00 0.00 C ATOM 136 C LYS A 9 8.573 18.227 2.718 1.00 0.00 C ATOM 137 O LYS A 9 9.568 18.578 3.356 1.00 0.00 O ATOM 138 CB LYS A 9 7.936 20.640 2.548 1.00 0.00 C ATOM 139 CG LYS A 9 7.283 21.748 1.737 1.00 0.00 C ATOM 140 CD LYS A 9 8.106 23.025 1.773 1.00 0.00 C ATOM 141 CE LYS A 9 7.346 24.195 1.173 1.00 0.00 C ATOM 142 NZ LYS A 9 6.727 25.052 2.222 1.00 0.00 N ATOM 0 H LYS A 9 6.036 18.389 2.817 1.00 0.00 H new ATOM 0 HA LYS A 9 8.070 19.253 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.529 20.653 3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.004 20.843 2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.162 21.421 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.285 21.946 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.376 23.256 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.036 22.875 1.225 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.024 24.796 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.570 23.820 0.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.218 25.839 1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.061 24.485 2.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.470 25.431 2.844 1.00 0.00 H new ATOM 156 N ARG A 10 8.163 16.964 2.658 1.00 0.00 N ATOM 157 CA ARG A 10 8.873 15.896 3.350 1.00 0.00 C ATOM 158 C ARG A 10 9.336 14.821 2.369 1.00 0.00 C ATOM 159 O ARG A 10 9.321 15.027 1.155 1.00 0.00 O ATOM 160 CB ARG A 10 7.976 15.276 4.425 1.00 0.00 C ATOM 161 CG ARG A 10 8.666 15.108 5.770 1.00 0.00 C ATOM 162 CD ARG A 10 7.754 14.440 6.789 1.00 0.00 C ATOM 163 NE ARG A 10 7.553 15.275 7.971 1.00 0.00 N ATOM 164 CZ ARG A 10 6.549 15.112 8.831 1.00 0.00 C ATOM 165 NH1 ARG A 10 5.655 14.151 8.643 1.00 0.00 N ATOM 166 NH2 ARG A 10 6.440 15.915 9.880 1.00 0.00 N ATOM 0 H ARG A 10 7.342 16.656 2.137 1.00 0.00 H new ATOM 0 HA ARG A 10 9.754 16.326 3.825 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.093 15.901 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.629 14.302 4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.570 14.512 5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.977 16.083 6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.790 14.226 6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.183 13.484 7.089 1.00 0.00 H new ATOM 0 HE ARG A 10 8.220 16.026 8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.734 13.532 7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.888 14.031 9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.124 16.657 10.028 1.00 0.00 H new ATOM 0 HH22 ARG A 10 5.672 15.791 10.539 1.00 0.00 H new ATOM 180 N GLN A 11 9.746 13.676 2.905 1.00 0.00 N ATOM 181 CA GLN A 11 10.214 12.570 2.079 1.00 0.00 C ATOM 182 C GLN A 11 9.074 11.605 1.760 1.00 0.00 C ATOM 183 O GLN A 11 8.401 11.104 2.661 1.00 0.00 O ATOM 184 CB GLN A 11 11.347 11.821 2.785 1.00 0.00 C ATOM 185 CG GLN A 11 12.673 12.565 2.764 1.00 0.00 C ATOM 186 CD GLN A 11 13.368 12.476 1.420 1.00 0.00 C ATOM 187 OE1 GLN A 11 14.221 11.616 1.203 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.005 13.371 0.505 1.00 0.00 N ATOM 0 H GLN A 11 9.763 13.490 3.908 1.00 0.00 H new ATOM 0 HA GLN A 11 10.588 12.984 1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.060 11.636 3.820 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.478 10.848 2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.502 13.613 3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 11 13.327 12.157 3.535 1.00 0.00 H new ATOM 0 HE21 GLN A 11 12.293 14.067 0.727 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.438 13.361 -0.418 1.00 0.00 H new ATOM 197 N GLN A 12 8.864 11.355 0.473 1.00 0.00 N ATOM 198 CA GLN A 12 7.807 10.453 0.029 1.00 0.00 C ATOM 199 C GLN A 12 8.393 9.185 -0.584 1.00 0.00 C ATOM 200 O GLN A 12 8.854 9.196 -1.726 1.00 0.00 O ATOM 201 CB GLN A 12 6.910 11.156 -0.991 1.00 0.00 C ATOM 202 CG GLN A 12 5.881 12.079 -0.361 1.00 0.00 C ATOM 203 CD GLN A 12 6.514 13.260 0.350 1.00 0.00 C ATOM 204 OE1 GLN A 12 7.039 14.174 -0.286 1.00 0.00 O ATOM 205 NE2 GLN A 12 6.468 13.245 1.677 1.00 0.00 N ATOM 0 H GLN A 12 9.413 11.765 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 12 7.213 10.172 0.899 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.533 11.733 -1.674 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.394 10.404 -1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.205 12.445 -1.134 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.277 11.513 0.349 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.023 12.467 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.878 14.012 2.210 1.00 0.00 H new ATOM 214 N ARG A 13 8.372 8.094 0.176 1.00 0.00 N ATOM 215 CA ARG A 13 8.902 6.824 -0.305 1.00 0.00 C ATOM 216 C ARG A 13 7.790 5.792 -0.458 1.00 0.00 C ATOM 217 O ARG A 13 7.032 5.534 0.477 1.00 0.00 O ATOM 218 CB ARG A 13 9.975 6.295 0.648 1.00 0.00 C ATOM 219 CG ARG A 13 11.145 7.246 0.840 1.00 0.00 C ATOM 220 CD ARG A 13 11.456 7.465 2.312 1.00 0.00 C ATOM 221 NE ARG A 13 12.878 7.711 2.538 1.00 0.00 N ATOM 222 CZ ARG A 13 13.386 8.122 3.698 1.00 0.00 C ATOM 223 NH1 ARG A 13 12.591 8.336 4.740 1.00 0.00 N ATOM 224 NH2 ARG A 13 14.691 8.323 3.818 1.00 0.00 N ATOM 0 H ARG A 13 7.995 8.064 1.123 1.00 0.00 H new ATOM 0 HA ARG A 13 9.351 6.998 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.520 6.093 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.349 5.345 0.268 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.026 6.846 0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.917 8.203 0.370 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.878 8.311 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.144 6.591 2.883 1.00 0.00 H new ATOM 0 HE ARG A 13 13.520 7.559 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.586 8.186 4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.986 8.651 5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 13 15.307 8.163 3.021 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.079 8.638 4.707 1.00 0.00 H new ATOM 238 N PHE A 14 7.707 5.202 -1.644 1.00 0.00 N ATOM 239 CA PHE A 14 6.697 4.191 -1.932 1.00 0.00 C ATOM 240 C PHE A 14 7.354 2.819 -2.046 1.00 0.00 C ATOM 241 O PHE A 14 8.407 2.681 -2.666 1.00 0.00 O ATOM 242 CB PHE A 14 5.952 4.545 -3.221 1.00 0.00 C ATOM 243 CG PHE A 14 5.637 6.011 -3.328 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.633 6.925 -3.628 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.349 6.475 -3.113 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.353 8.275 -3.712 1.00 0.00 C ATOM 247 CE2 PHE A 14 4.063 7.825 -3.192 1.00 0.00 C ATOM 248 CZ PHE A 14 5.067 8.726 -3.493 1.00 0.00 C ATOM 0 H PHE A 14 8.330 5.407 -2.425 1.00 0.00 H new ATOM 0 HA PHE A 14 5.975 4.162 -1.116 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.555 4.244 -4.078 1.00 0.00 H new ATOM 0 HB3 PHE A 14 5.024 3.974 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.641 6.578 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.560 5.774 -2.881 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.139 8.977 -3.949 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.056 8.175 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.846 9.781 -3.557 1.00 0.00 H new ATOM 258 N PHE A 15 6.749 1.815 -1.421 1.00 0.00 N ATOM 259 CA PHE A 15 7.318 0.472 -1.441 1.00 0.00 C ATOM 260 C PHE A 15 6.286 -0.590 -1.814 1.00 0.00 C ATOM 261 O PHE A 15 5.088 -0.429 -1.577 1.00 0.00 O ATOM 262 CB PHE A 15 7.930 0.148 -0.077 1.00 0.00 C ATOM 263 CG PHE A 15 8.774 1.261 0.479 1.00 0.00 C ATOM 264 CD1 PHE A 15 8.189 2.442 0.905 1.00 0.00 C ATOM 265 CD2 PHE A 15 10.151 1.128 0.572 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.959 3.470 1.412 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.927 2.153 1.080 1.00 0.00 C ATOM 268 CZ PHE A 15 10.330 3.326 1.499 1.00 0.00 C ATOM 0 H PHE A 15 5.876 1.903 -0.901 1.00 0.00 H new ATOM 0 HA PHE A 15 8.091 0.456 -2.209 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.130 -0.078 0.628 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.540 -0.751 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 15 7.117 2.560 0.840 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.623 0.213 0.244 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.490 4.386 1.740 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.999 2.037 1.149 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.934 4.129 1.894 1.00 0.00 H new ATOM 278 N ARG A 16 6.779 -1.680 -2.395 1.00 0.00 N ATOM 279 CA ARG A 16 5.939 -2.797 -2.811 1.00 0.00 C ATOM 280 C ARG A 16 6.724 -4.101 -2.716 1.00 0.00 C ATOM 281 O ARG A 16 7.939 -4.115 -2.915 1.00 0.00 O ATOM 282 CB ARG A 16 5.450 -2.589 -4.244 1.00 0.00 C ATOM 283 CG ARG A 16 4.529 -3.689 -4.745 1.00 0.00 C ATOM 284 CD ARG A 16 4.589 -3.809 -6.260 1.00 0.00 C ATOM 285 NE ARG A 16 5.921 -4.186 -6.726 1.00 0.00 N ATOM 286 CZ ARG A 16 6.375 -5.437 -6.744 1.00 0.00 C ATOM 287 NH1 ARG A 16 5.610 -6.435 -6.320 1.00 0.00 N ATOM 288 NH2 ARG A 16 7.599 -5.691 -7.185 1.00 0.00 N ATOM 0 H ARG A 16 7.771 -1.813 -2.590 1.00 0.00 H new ATOM 0 HA ARG A 16 5.074 -2.850 -2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.927 -1.635 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.313 -2.521 -4.906 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.812 -4.639 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.505 -3.479 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.864 -4.552 -6.594 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.303 -2.859 -6.711 1.00 0.00 H new ATOM 0 HE ARG A 16 6.540 -3.446 -7.057 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.668 -6.246 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.964 -7.391 -6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.192 -4.928 -7.510 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.947 -6.650 -7.199 1.00 0.00 H new ATOM 302 N ILE A 17 6.036 -5.198 -2.415 1.00 0.00 N ATOM 303 CA ILE A 17 6.701 -6.493 -2.304 1.00 0.00 C ATOM 304 C ILE A 17 5.752 -7.644 -2.634 1.00 0.00 C ATOM 305 O ILE A 17 4.710 -7.802 -1.997 1.00 0.00 O ATOM 306 CB ILE A 17 7.300 -6.713 -0.896 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.456 -6.012 0.177 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.743 -6.220 -0.855 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.136 -5.929 1.530 1.00 0.00 C ATOM 0 H ILE A 17 5.030 -5.218 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 17 7.512 -6.483 -3.032 1.00 0.00 H new ATOM 0 HB ILE A 17 7.290 -7.782 -0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.217 -5.004 -0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.511 -6.543 0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 17 9.154 -6.380 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 17 9.336 -6.770 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.771 -5.157 -1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.480 -5.421 2.237 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.350 -6.935 1.892 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.068 -5.371 1.435 1.00 0.00 H new ATOM 321 N PRO A 18 6.104 -8.467 -3.642 1.00 0.00 N ATOM 322 CA PRO A 18 5.288 -9.606 -4.060 1.00 0.00 C ATOM 323 C PRO A 18 5.585 -10.860 -3.247 1.00 0.00 C ATOM 324 O PRO A 18 6.433 -11.669 -3.628 1.00 0.00 O ATOM 325 CB PRO A 18 5.715 -9.802 -5.511 1.00 0.00 C ATOM 326 CG PRO A 18 7.154 -9.404 -5.533 1.00 0.00 C ATOM 327 CD PRO A 18 7.328 -8.353 -4.462 1.00 0.00 C ATOM 0 HA PRO A 18 4.221 -9.428 -3.924 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.584 -10.837 -5.827 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.122 -9.185 -6.186 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.797 -10.263 -5.341 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.432 -9.011 -6.511 1.00 0.00 H new ATOM 0 HD2 PRO A 18 8.224 -8.534 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.427 -7.357 -4.893 1.00 0.00 H new ATOM 335 N PHE A 19 4.888 -11.021 -2.129 1.00 0.00 N ATOM 336 CA PHE A 19 5.086 -12.181 -1.269 1.00 0.00 C ATOM 337 C PHE A 19 3.825 -13.038 -1.207 1.00 0.00 C ATOM 338 O PHE A 19 2.711 -12.520 -1.139 1.00 0.00 O ATOM 339 CB PHE A 19 5.488 -11.738 0.139 1.00 0.00 C ATOM 340 CG PHE A 19 4.427 -10.947 0.848 1.00 0.00 C ATOM 341 CD1 PHE A 19 3.345 -11.583 1.434 1.00 0.00 C ATOM 342 CD2 PHE A 19 4.514 -9.566 0.930 1.00 0.00 C ATOM 343 CE1 PHE A 19 2.368 -10.856 2.089 1.00 0.00 C ATOM 344 CE2 PHE A 19 3.540 -8.834 1.583 1.00 0.00 C ATOM 345 CZ PHE A 19 2.466 -9.480 2.163 1.00 0.00 C ATOM 0 H PHE A 19 4.182 -10.364 -1.797 1.00 0.00 H new ATOM 0 HA PHE A 19 5.889 -12.782 -1.695 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.729 -12.620 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.396 -11.138 0.076 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.264 -12.659 1.379 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.352 -9.056 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.529 -11.363 2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.619 -7.758 1.640 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.704 -8.910 2.674 1.00 0.00 H new ATOM 355 N ILE A 20 4.013 -14.352 -1.230 1.00 0.00 N ATOM 356 CA ILE A 20 2.893 -15.284 -1.173 1.00 0.00 C ATOM 357 C ILE A 20 2.509 -15.584 0.267 1.00 0.00 C ATOM 358 O ILE A 20 3.371 -15.701 1.137 1.00 0.00 O ATOM 359 CB ILE A 20 3.223 -16.612 -1.880 1.00 0.00 C ATOM 360 CG1 ILE A 20 3.941 -16.351 -3.201 1.00 0.00 C ATOM 361 CG2 ILE A 20 1.956 -17.424 -2.109 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.428 -17.610 -3.881 1.00 0.00 C ATOM 0 H ILE A 20 4.929 -14.796 -1.288 1.00 0.00 H new ATOM 0 HA ILE A 20 2.060 -14.804 -1.686 1.00 0.00 H new ATOM 0 HB ILE A 20 3.888 -17.189 -1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.266 -15.822 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.791 -15.693 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.208 -18.359 -2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.485 -17.641 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.266 -16.854 -2.731 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.928 -17.350 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.128 -18.130 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.579 -18.260 -4.094 1.00 0.00 H new ATOM 374 N ARG A 21 1.213 -15.719 0.510 1.00 0.00 N ATOM 375 CA ARG A 21 0.721 -16.021 1.848 1.00 0.00 C ATOM 376 C ARG A 21 1.340 -17.322 2.354 1.00 0.00 C ATOM 377 O ARG A 21 1.030 -18.398 1.845 1.00 0.00 O ATOM 378 CB ARG A 21 -0.804 -16.128 1.845 1.00 0.00 C ATOM 379 CG ARG A 21 -1.476 -15.157 2.801 1.00 0.00 C ATOM 380 CD ARG A 21 -2.982 -15.348 2.819 1.00 0.00 C ATOM 381 NE ARG A 21 -3.553 -15.073 4.136 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.846 -15.200 4.424 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.706 -15.595 3.492 1.00 0.00 N ATOM 384 NH2 ARG A 21 -5.282 -14.931 5.647 1.00 0.00 N ATOM 0 H ARG A 21 0.485 -15.625 -0.198 1.00 0.00 H new ATOM 0 HA ARG A 21 1.010 -15.210 2.516 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.172 -15.946 0.835 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.091 -17.146 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.078 -15.299 3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.241 -14.134 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.440 -14.690 2.081 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.221 -16.370 2.526 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.924 -14.766 4.878 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.377 -15.803 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.696 -15.690 3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.626 -14.627 6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.273 -15.028 5.868 1.00 0.00 H new ATOM 398 N PRO A 22 2.235 -17.244 3.357 1.00 0.00 N ATOM 399 CA PRO A 22 2.905 -18.422 3.917 1.00 0.00 C ATOM 400 C PRO A 22 1.977 -19.623 4.051 1.00 0.00 C ATOM 401 O PRO A 22 2.290 -20.721 3.584 1.00 0.00 O ATOM 402 CB PRO A 22 3.355 -17.930 5.289 1.00 0.00 C ATOM 403 CG PRO A 22 3.629 -16.478 5.093 1.00 0.00 C ATOM 404 CD PRO A 22 2.674 -16.000 4.024 1.00 0.00 C ATOM 0 HA PRO A 22 3.716 -18.777 3.280 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.583 -18.090 6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.245 -18.460 5.628 1.00 0.00 H new ATOM 0 HG2 PRO A 22 3.479 -15.927 6.021 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.663 -16.316 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 22 1.831 -15.459 4.454 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.164 -15.323 3.324 1.00 0.00 H new ATOM 412 N ALA A 23 0.834 -19.411 4.687 1.00 0.00 N ATOM 413 CA ALA A 23 -0.138 -20.477 4.881 1.00 0.00 C ATOM 414 C ALA A 23 -0.427 -21.192 3.570 1.00 0.00 C ATOM 415 O ALA A 23 -0.217 -22.396 3.453 1.00 0.00 O ATOM 416 CB ALA A 23 -1.422 -19.921 5.478 1.00 0.00 C ATOM 0 H ALA A 23 0.557 -18.510 5.078 1.00 0.00 H new ATOM 0 HA ALA A 23 0.285 -21.202 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.139 -20.730 5.617 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.205 -19.459 6.441 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.843 -19.175 4.804 1.00 0.00 H new ATOM 422 N ASP A 24 -0.897 -20.431 2.591 1.00 0.00 N ATOM 423 CA ASP A 24 -1.217 -20.969 1.270 1.00 0.00 C ATOM 424 C ASP A 24 0.041 -21.431 0.542 1.00 0.00 C ATOM 425 O ASP A 24 0.013 -22.384 -0.239 1.00 0.00 O ATOM 426 CB ASP A 24 -1.934 -19.907 0.436 1.00 0.00 C ATOM 427 CG ASP A 24 -3.437 -19.929 0.639 1.00 0.00 C ATOM 428 OD1 ASP A 24 -4.019 -21.034 0.647 1.00 0.00 O ATOM 429 OD2 ASP A 24 -4.032 -18.841 0.790 1.00 0.00 O ATOM 0 H ASP A 24 -1.067 -19.430 2.686 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.870 -21.832 1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.549 -18.922 0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.710 -20.065 -0.619 1.00 0.00 H new ATOM 434 N GLN A 25 1.136 -20.729 0.799 1.00 0.00 N ATOM 435 CA GLN A 25 2.420 -21.016 0.174 1.00 0.00 C ATOM 436 C GLN A 25 2.831 -22.483 0.314 1.00 0.00 C ATOM 437 O GLN A 25 3.337 -23.079 -0.638 1.00 0.00 O ATOM 438 CB GLN A 25 3.491 -20.087 0.772 1.00 0.00 C ATOM 439 CG GLN A 25 4.917 -20.619 0.707 1.00 0.00 C ATOM 440 CD GLN A 25 5.846 -19.706 -0.073 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.665 -20.167 -0.867 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.722 -18.405 0.154 1.00 0.00 N ATOM 0 H GLN A 25 1.159 -19.943 1.448 1.00 0.00 H new ATOM 0 HA GLN A 25 2.322 -20.830 -0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.452 -19.131 0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.240 -19.892 1.815 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.301 -20.743 1.720 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.912 -21.606 0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.029 -18.068 0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.320 -17.742 -0.339 1.00 0.00 H new ATOM 451 N TYR A 26 2.652 -23.053 1.497 1.00 0.00 N ATOM 452 CA TYR A 26 3.059 -24.440 1.725 1.00 0.00 C ATOM 453 C TYR A 26 1.888 -25.417 1.763 1.00 0.00 C ATOM 454 O TYR A 26 2.022 -26.565 1.338 1.00 0.00 O ATOM 455 CB TYR A 26 3.857 -24.557 3.023 1.00 0.00 C ATOM 456 CG TYR A 26 3.374 -23.655 4.132 1.00 0.00 C ATOM 457 CD1 TYR A 26 2.161 -23.885 4.767 1.00 0.00 C ATOM 458 CD2 TYR A 26 4.139 -22.575 4.547 1.00 0.00 C ATOM 459 CE1 TYR A 26 1.729 -23.064 5.790 1.00 0.00 C ATOM 460 CE2 TYR A 26 3.714 -21.748 5.566 1.00 0.00 C ATOM 461 CZ TYR A 26 2.509 -21.997 6.185 1.00 0.00 C ATOM 462 OH TYR A 26 2.081 -21.177 7.204 1.00 0.00 O ATOM 0 H TYR A 26 2.235 -22.589 2.304 1.00 0.00 H new ATOM 0 HA TYR A 26 3.680 -24.714 0.872 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.818 -25.590 3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.903 -24.330 2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.547 -24.717 4.457 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.084 -22.378 4.064 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.785 -23.256 6.278 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.322 -20.911 5.876 1.00 0.00 H new ATOM 0 HH TYR A 26 2.746 -20.475 7.360 1.00 0.00 H new ATOM 472 N LYS A 27 0.754 -24.982 2.290 1.00 0.00 N ATOM 473 CA LYS A 27 -0.407 -25.862 2.389 1.00 0.00 C ATOM 474 C LYS A 27 -0.883 -26.319 1.016 1.00 0.00 C ATOM 475 O LYS A 27 -1.392 -27.431 0.870 1.00 0.00 O ATOM 476 CB LYS A 27 -1.548 -25.174 3.133 1.00 0.00 C ATOM 477 CG LYS A 27 -2.078 -23.952 2.418 1.00 0.00 C ATOM 478 CD LYS A 27 -2.873 -23.062 3.361 1.00 0.00 C ATOM 479 CE LYS A 27 -4.354 -23.397 3.323 1.00 0.00 C ATOM 480 NZ LYS A 27 -4.606 -24.837 3.601 1.00 0.00 N ATOM 0 H LYS A 27 0.610 -24.039 2.652 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.097 -26.743 2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.362 -25.885 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.203 -24.884 4.125 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.248 -23.387 1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.711 -24.261 1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.498 -23.180 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.728 -22.017 3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.883 -22.788 4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.759 -23.140 2.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.610 -24.975 3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.364 -25.400 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.020 -25.143 4.403 1.00 0.00 H new ATOM 494 N ASP A 28 -0.722 -25.466 0.009 1.00 0.00 N ATOM 495 CA ASP A 28 -1.149 -25.814 -1.341 1.00 0.00 C ATOM 496 C ASP A 28 -0.286 -25.125 -2.397 1.00 0.00 C ATOM 497 O ASP A 28 -0.224 -23.896 -2.451 1.00 0.00 O ATOM 498 CB ASP A 28 -2.616 -25.434 -1.543 1.00 0.00 C ATOM 499 CG ASP A 28 -3.560 -26.362 -0.804 1.00 0.00 C ATOM 500 OD1 ASP A 28 -3.279 -27.578 -0.754 1.00 0.00 O ATOM 501 OD2 ASP A 28 -4.580 -25.873 -0.276 1.00 0.00 O ATOM 0 H ASP A 28 -0.304 -24.540 0.100 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.032 -26.891 -1.459 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.774 -24.411 -1.201 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -2.850 -25.454 -2.607 1.00 0.00 H new ATOM 506 N PRO A 29 0.388 -25.908 -3.261 1.00 0.00 N ATOM 507 CA PRO A 29 1.239 -25.361 -4.322 1.00 0.00 C ATOM 508 C PRO A 29 0.426 -24.738 -5.454 1.00 0.00 C ATOM 509 O PRO A 29 0.980 -24.103 -6.352 1.00 0.00 O ATOM 510 CB PRO A 29 2.005 -26.581 -4.824 1.00 0.00 C ATOM 511 CG PRO A 29 1.102 -27.726 -4.546 1.00 0.00 C ATOM 512 CD PRO A 29 0.369 -27.383 -3.278 1.00 0.00 C ATOM 0 HA PRO A 29 1.880 -24.558 -3.958 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.227 -26.500 -5.888 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.958 -26.692 -4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 29 0.405 -27.881 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.669 -28.650 -4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.649 -27.772 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.864 -27.801 -2.402 1.00 0.00 H new ATOM 520 N GLN A 30 -0.892 -24.919 -5.404 1.00 0.00 N ATOM 521 CA GLN A 30 -1.781 -24.374 -6.419 1.00 0.00 C ATOM 522 C GLN A 30 -2.614 -23.236 -5.840 1.00 0.00 C ATOM 523 O GLN A 30 -2.952 -22.281 -6.538 1.00 0.00 O ATOM 524 CB GLN A 30 -2.699 -25.469 -6.967 1.00 0.00 C ATOM 525 CG GLN A 30 -1.959 -26.561 -7.722 1.00 0.00 C ATOM 526 CD GLN A 30 -2.551 -26.831 -9.092 1.00 0.00 C ATOM 527 OE1 GLN A 30 -1.826 -27.029 -10.066 1.00 0.00 O ATOM 528 NE2 GLN A 30 -3.877 -26.840 -9.173 1.00 0.00 N ATOM 0 H GLN A 30 -1.366 -25.441 -4.667 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.173 -23.984 -7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -3.248 -25.919 -6.140 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.436 -25.016 -7.630 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.913 -26.275 -7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.978 -27.479 -7.135 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.440 -26.671 -8.339 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.332 -27.016 -10.069 1.00 0.00 H new ATOM 537 N ASN A 31 -2.933 -23.343 -4.553 1.00 0.00 N ATOM 538 CA ASN A 31 -3.716 -22.321 -3.871 1.00 0.00 C ATOM 539 C ASN A 31 -2.806 -21.368 -3.106 1.00 0.00 C ATOM 540 O ASN A 31 -3.203 -20.787 -2.097 1.00 0.00 O ATOM 541 CB ASN A 31 -4.718 -22.969 -2.912 1.00 0.00 C ATOM 542 CG ASN A 31 -5.936 -23.516 -3.631 1.00 0.00 C ATOM 543 OD1 ASN A 31 -6.259 -23.091 -4.741 1.00 0.00 O ATOM 544 ND2 ASN A 31 -6.620 -24.463 -3.000 1.00 0.00 N ATOM 0 H ASN A 31 -2.660 -24.129 -3.962 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.263 -21.752 -4.623 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.227 -23.777 -2.369 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.036 -22.234 -2.172 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.449 -24.868 -3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.316 -24.785 -2.081 1.00 0.00 H new ATOM 551 N LYS A 32 -1.580 -21.214 -3.597 1.00 0.00 N ATOM 552 CA LYS A 32 -0.604 -20.334 -2.967 1.00 0.00 C ATOM 553 C LYS A 32 -1.113 -18.902 -2.923 1.00 0.00 C ATOM 554 O LYS A 32 -1.236 -18.304 -1.854 1.00 0.00 O ATOM 555 CB LYS A 32 0.719 -20.382 -3.727 1.00 0.00 C ATOM 556 CG LYS A 32 1.354 -21.758 -3.768 1.00 0.00 C ATOM 557 CD LYS A 32 2.430 -21.830 -4.835 1.00 0.00 C ATOM 558 CE LYS A 32 3.597 -22.702 -4.397 1.00 0.00 C ATOM 559 NZ LYS A 32 4.014 -23.652 -5.467 1.00 0.00 N ATOM 0 H LYS A 32 -1.239 -21.690 -4.432 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.448 -20.681 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.553 -20.039 -4.748 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.417 -19.684 -3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.786 -21.992 -2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.590 -22.509 -3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.004 -22.228 -5.756 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.790 -20.825 -5.058 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.441 -22.069 -4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.317 -23.261 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.554 -24.434 -5.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.170 -24.031 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.609 -23.155 -6.160 1.00 0.00 H new ATOM 573 N LYS A 33 -1.397 -18.357 -4.098 1.00 0.00 N ATOM 574 CA LYS A 33 -1.886 -16.988 -4.215 1.00 0.00 C ATOM 575 C LYS A 33 -0.780 -15.994 -3.886 1.00 0.00 C ATOM 576 O LYS A 33 -0.313 -15.922 -2.749 1.00 0.00 O ATOM 577 CB LYS A 33 -3.086 -16.762 -3.291 1.00 0.00 C ATOM 578 CG LYS A 33 -4.146 -17.847 -3.396 1.00 0.00 C ATOM 579 CD LYS A 33 -4.727 -17.927 -4.798 1.00 0.00 C ATOM 580 CE LYS A 33 -4.865 -19.367 -5.265 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.273 -19.450 -6.694 1.00 0.00 N ATOM 0 H LYS A 33 -1.297 -18.844 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.204 -16.829 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.735 -16.706 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.539 -15.799 -3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.711 -18.809 -3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.944 -17.647 -2.681 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.703 -17.443 -4.816 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.087 -17.379 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.916 -19.886 -5.128 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.601 -19.880 -4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.356 -20.448 -6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.191 -18.977 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.558 -18.983 -7.287 1.00 0.00 H new ATOM 595 N LYS A 34 -0.362 -15.232 -4.890 1.00 0.00 N ATOM 596 CA LYS A 34 0.692 -14.242 -4.707 1.00 0.00 C ATOM 597 C LYS A 34 0.117 -12.949 -4.138 1.00 0.00 C ATOM 598 O LYS A 34 -0.625 -12.237 -4.815 1.00 0.00 O ATOM 599 CB LYS A 34 1.405 -13.954 -6.033 1.00 0.00 C ATOM 600 CG LYS A 34 1.519 -15.161 -6.954 1.00 0.00 C ATOM 601 CD LYS A 34 2.572 -16.142 -6.468 1.00 0.00 C ATOM 602 CE LYS A 34 3.968 -15.537 -6.516 1.00 0.00 C ATOM 603 NZ LYS A 34 4.828 -16.207 -7.528 1.00 0.00 N ATOM 0 H LYS A 34 -0.736 -15.281 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 34 1.417 -14.649 -4.002 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.870 -13.161 -6.556 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.405 -13.577 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.554 -15.664 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.770 -14.828 -7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.342 -16.447 -5.447 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.543 -17.041 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.895 -14.474 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.433 -15.618 -5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.770 -15.766 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.918 -17.216 -7.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.398 -16.108 -8.470 1.00 0.00 H new ATOM 617 N GLY A 35 0.459 -12.657 -2.888 1.00 0.00 N ATOM 618 CA GLY A 35 -0.038 -11.455 -2.249 1.00 0.00 C ATOM 619 C GLY A 35 0.885 -10.268 -2.431 1.00 0.00 C ATOM 620 O GLY A 35 2.028 -10.283 -1.973 1.00 0.00 O ATOM 0 H GLY A 35 1.071 -13.231 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.019 -11.212 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.173 -11.644 -1.184 1.00 0.00 H new ATOM 624 N TRP A 36 0.386 -9.232 -3.097 1.00 0.00 N ATOM 625 CA TRP A 36 1.168 -8.026 -3.332 1.00 0.00 C ATOM 626 C TRP A 36 0.823 -6.960 -2.302 1.00 0.00 C ATOM 627 O TRP A 36 -0.345 -6.618 -2.114 1.00 0.00 O ATOM 628 CB TRP A 36 0.919 -7.499 -4.746 1.00 0.00 C ATOM 629 CG TRP A 36 1.309 -8.475 -5.811 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.577 -8.798 -6.196 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.427 -9.259 -6.621 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.539 -9.736 -7.199 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.231 -10.035 -7.478 1.00 0.00 C ATOM 634 CE3 TRP A 36 -0.962 -9.379 -6.706 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.688 -10.920 -8.408 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.500 -10.257 -7.629 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.676 -11.018 -8.469 1.00 0.00 C ATOM 0 H TRP A 36 -0.558 -9.204 -3.484 1.00 0.00 H new ATOM 0 HA TRP A 36 2.225 -8.274 -3.233 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.137 -7.253 -4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.478 -6.574 -4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.478 -8.378 -5.774 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.352 -10.144 -7.661 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.604 -8.796 -6.062 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.321 -11.507 -9.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.573 -10.358 -7.704 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.126 -11.696 -9.179 1.00 0.00 H new ATOM 648 N TRP A 37 1.844 -6.446 -1.626 1.00 0.00 N ATOM 649 CA TRP A 37 1.642 -5.430 -0.600 1.00 0.00 C ATOM 650 C TRP A 37 2.250 -4.092 -1.007 1.00 0.00 C ATOM 651 O TRP A 37 3.458 -3.986 -1.220 1.00 0.00 O ATOM 652 CB TRP A 37 2.258 -5.901 0.719 1.00 0.00 C ATOM 653 CG TRP A 37 1.846 -5.082 1.905 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.580 -4.902 2.379 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.708 -4.337 2.768 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.603 -4.092 3.489 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.899 -3.730 3.747 1.00 0.00 C ATOM 658 CE3 TRP A 37 4.088 -4.123 2.809 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.425 -2.926 4.755 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.610 -3.325 3.810 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.780 -2.736 4.772 1.00 0.00 C ATOM 0 H TRP A 37 2.817 -6.715 -1.769 1.00 0.00 H new ATOM 0 HA TRP A 37 0.569 -5.285 -0.476 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.976 -6.940 0.891 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.344 -5.876 0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.310 -5.333 1.946 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.212 -3.807 4.032 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.736 -4.573 2.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.787 -2.469 5.497 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.675 -3.153 3.851 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.218 -2.119 5.543 1.00 0.00 H new ATOM 672 N TYR A 38 1.403 -3.070 -1.094 1.00 0.00 N ATOM 673 CA TYR A 38 1.848 -1.727 -1.450 1.00 0.00 C ATOM 674 C TYR A 38 1.610 -0.775 -0.285 1.00 0.00 C ATOM 675 O TYR A 38 0.683 -0.967 0.503 1.00 0.00 O ATOM 676 CB TYR A 38 1.104 -1.210 -2.685 1.00 0.00 C ATOM 677 CG TYR A 38 1.185 -2.120 -3.890 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.584 -3.370 -3.881 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.849 -1.717 -5.043 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.644 -4.198 -4.987 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.914 -2.539 -6.151 1.00 0.00 C ATOM 682 CZ TYR A 38 1.310 -3.777 -6.117 1.00 0.00 C ATOM 683 OH TYR A 38 1.372 -4.600 -7.220 1.00 0.00 O ATOM 0 H TYR A 38 0.401 -3.148 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 38 2.913 -1.774 -1.678 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.055 -1.062 -2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.507 -0.234 -2.955 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.061 -3.702 -2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.321 -0.746 -5.073 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.172 -5.169 -4.965 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.435 -2.213 -7.039 1.00 0.00 H new ATOM 0 HH TYR A 38 1.876 -4.155 -7.933 1.00 0.00 H new ATOM 693 N ALA A 39 2.444 0.253 -0.176 1.00 0.00 N ATOM 694 CA ALA A 39 2.301 1.224 0.900 1.00 0.00 C ATOM 695 C ALA A 39 3.208 2.427 0.693 1.00 0.00 C ATOM 696 O ALA A 39 4.426 2.294 0.579 1.00 0.00 O ATOM 697 CB ALA A 39 2.596 0.564 2.238 1.00 0.00 C ATOM 0 H ALA A 39 3.219 0.434 -0.814 1.00 0.00 H new ATOM 0 HA ALA A 39 1.272 1.583 0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.487 1.297 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.898 -0.257 2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.615 0.178 2.236 1.00 0.00 H new ATOM 703 N HIS A 40 2.597 3.604 0.671 1.00 0.00 N ATOM 704 CA HIS A 40 3.334 4.844 0.509 1.00 0.00 C ATOM 705 C HIS A 40 3.666 5.418 1.877 1.00 0.00 C ATOM 706 O HIS A 40 2.820 6.059 2.514 1.00 0.00 O ATOM 707 CB HIS A 40 2.517 5.851 -0.306 1.00 0.00 C ATOM 708 CG HIS A 40 3.153 7.204 -0.398 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.460 8.338 -0.768 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.425 7.603 -0.158 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.279 9.375 -0.753 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.476 8.957 -0.385 1.00 0.00 N ATOM 0 H HIS A 40 1.588 3.723 0.764 1.00 0.00 H new ATOM 0 HA HIS A 40 4.259 4.641 -0.030 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.371 5.458 -1.312 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.529 5.953 0.143 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.471 8.371 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.246 6.974 0.154 1.00 0.00 H new ATOM 0 HE1 HIS A 40 3.014 10.392 -1.000 1.00 0.00 H new ATOM 721 N PHE A 41 4.891 5.167 2.333 1.00 0.00 N ATOM 722 CA PHE A 41 5.326 5.644 3.635 1.00 0.00 C ATOM 723 C PHE A 41 5.870 7.069 3.554 1.00 0.00 C ATOM 724 O PHE A 41 6.767 7.358 2.761 1.00 0.00 O ATOM 725 CB PHE A 41 6.406 4.732 4.227 1.00 0.00 C ATOM 726 CG PHE A 41 5.911 3.395 4.703 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.440 2.451 3.805 1.00 0.00 C ATOM 728 CD2 PHE A 41 5.935 3.078 6.052 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.000 1.217 4.246 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.496 1.849 6.498 1.00 0.00 C ATOM 731 CZ PHE A 41 5.027 0.916 5.594 1.00 0.00 C ATOM 0 H PHE A 41 5.595 4.637 1.819 1.00 0.00 H new ATOM 0 HA PHE A 41 4.449 5.633 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.178 4.571 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.878 5.247 5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.416 2.681 2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.302 3.803 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.635 0.489 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.519 1.617 7.552 1.00 0.00 H new ATOM 0 HZ PHE A 41 4.682 -0.047 5.940 1.00 0.00 H new ATOM 741 N ASP A 42 5.342 7.948 4.398 1.00 0.00 N ATOM 742 CA ASP A 42 5.792 9.331 4.447 1.00 0.00 C ATOM 743 C ASP A 42 6.868 9.470 5.515 1.00 0.00 C ATOM 744 O ASP A 42 6.592 9.331 6.710 1.00 0.00 O ATOM 745 CB ASP A 42 4.622 10.269 4.750 1.00 0.00 C ATOM 746 CG ASP A 42 3.967 9.963 6.084 1.00 0.00 C ATOM 747 OD1 ASP A 42 4.002 8.788 6.505 1.00 0.00 O ATOM 748 OD2 ASP A 42 3.420 10.899 6.705 1.00 0.00 O ATOM 0 H ASP A 42 4.599 7.724 5.060 1.00 0.00 H new ATOM 0 HA ASP A 42 6.204 9.607 3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.977 11.300 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.879 10.188 3.956 1.00 0.00 H new ATOM 753 N GLY A 43 8.101 9.712 5.087 1.00 0.00 N ATOM 754 CA GLY A 43 9.189 9.825 6.036 1.00 0.00 C ATOM 755 C GLY A 43 9.336 8.555 6.853 1.00 0.00 C ATOM 756 O GLY A 43 9.294 7.457 6.299 1.00 0.00 O ATOM 0 H GLY A 43 8.364 9.831 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.119 10.029 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.009 10.670 6.701 1.00 0.00 H new ATOM 760 N PRO A 44 9.501 8.662 8.181 1.00 0.00 N ATOM 761 CA PRO A 44 9.641 7.495 9.052 1.00 0.00 C ATOM 762 C PRO A 44 8.325 6.731 9.211 1.00 0.00 C ATOM 763 O PRO A 44 8.315 5.569 9.614 1.00 0.00 O ATOM 764 CB PRO A 44 10.077 8.088 10.403 1.00 0.00 C ATOM 765 CG PRO A 44 10.385 9.527 10.135 1.00 0.00 C ATOM 766 CD PRO A 44 9.563 9.914 8.941 1.00 0.00 C ATOM 0 HA PRO A 44 10.350 6.774 8.644 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.287 7.989 11.147 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.951 7.567 10.795 1.00 0.00 H new ATOM 0 HG2 PRO A 44 10.135 10.146 10.997 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.448 9.668 9.938 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.571 10.265 9.227 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.031 10.714 8.368 1.00 0.00 H new ATOM 774 N TRP A 45 7.217 7.403 8.915 1.00 0.00 N ATOM 775 CA TRP A 45 5.893 6.806 9.045 1.00 0.00 C ATOM 776 C TRP A 45 5.233 6.622 7.683 1.00 0.00 C ATOM 777 O TRP A 45 5.877 6.785 6.647 1.00 0.00 O ATOM 778 CB TRP A 45 5.034 7.694 9.941 1.00 0.00 C ATOM 779 CG TRP A 45 5.853 8.483 10.915 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.595 9.597 10.651 1.00 0.00 C ATOM 781 CD2 TRP A 45 6.042 8.196 12.299 1.00 0.00 C ATOM 782 NE1 TRP A 45 7.223 10.027 11.793 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.895 9.183 12.822 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.561 7.202 13.143 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.278 9.200 14.161 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.939 7.215 14.473 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.791 8.211 14.972 1.00 0.00 C ATOM 0 H TRP A 45 7.211 8.367 8.582 1.00 0.00 H new ATOM 0 HA TRP A 45 5.993 5.818 9.494 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.453 8.377 9.321 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.322 7.075 10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.676 10.071 9.684 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.834 10.841 11.864 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.903 6.433 12.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.935 9.966 14.545 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.573 6.447 15.138 1.00 0.00 H new ATOM 0 HH2 TRP A 45 7.068 8.197 16.016 1.00 0.00 H new ATOM 798 N ILE A 46 3.946 6.276 7.685 1.00 0.00 N ATOM 799 CA ILE A 46 3.221 6.069 6.436 1.00 0.00 C ATOM 800 C ILE A 46 1.937 6.884 6.377 1.00 0.00 C ATOM 801 O ILE A 46 1.332 7.198 7.402 1.00 0.00 O ATOM 802 CB ILE A 46 2.908 4.573 6.200 1.00 0.00 C ATOM 803 CG1 ILE A 46 1.852 4.391 5.105 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.454 3.913 7.488 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.769 2.975 4.577 1.00 0.00 C ATOM 0 H ILE A 46 3.391 6.135 8.529 1.00 0.00 H new ATOM 0 HA ILE A 46 3.879 6.416 5.639 1.00 0.00 H new ATOM 0 HB ILE A 46 3.826 4.090 5.865 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.878 4.681 5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.076 5.066 4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.239 2.861 7.301 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.242 3.995 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.554 4.408 7.853 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.001 2.919 3.805 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.731 2.688 4.153 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.514 2.297 5.392 1.00 0.00 H new ATOM 817 N ALA A 47 1.536 7.230 5.156 1.00 0.00 N ATOM 818 CA ALA A 47 0.335 8.015 4.935 1.00 0.00 C ATOM 819 C ALA A 47 -0.761 7.200 4.253 1.00 0.00 C ATOM 820 O ALA A 47 -1.945 7.430 4.498 1.00 0.00 O ATOM 821 CB ALA A 47 0.661 9.252 4.111 1.00 0.00 C ATOM 0 H ALA A 47 2.033 6.975 4.302 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.043 8.320 5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.247 9.833 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.392 9.861 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.072 8.950 3.148 1.00 0.00 H new ATOM 827 N ARG A 48 -0.379 6.254 3.390 1.00 0.00 N ATOM 828 CA ARG A 48 -1.376 5.441 2.696 1.00 0.00 C ATOM 829 C ARG A 48 -0.787 4.119 2.226 1.00 0.00 C ATOM 830 O ARG A 48 0.420 4.007 2.012 1.00 0.00 O ATOM 831 CB ARG A 48 -1.944 6.214 1.504 1.00 0.00 C ATOM 832 CG ARG A 48 -0.922 6.482 0.411 1.00 0.00 C ATOM 833 CD ARG A 48 -1.589 6.880 -0.896 1.00 0.00 C ATOM 834 NE ARG A 48 -1.879 5.717 -1.734 1.00 0.00 N ATOM 835 CZ ARG A 48 -1.786 5.712 -3.063 1.00 0.00 C ATOM 836 NH1 ARG A 48 -1.438 6.809 -3.725 1.00 0.00 N ATOM 837 NH2 ARG A 48 -2.052 4.601 -3.737 1.00 0.00 N ATOM 0 H ARG A 48 0.591 6.037 3.160 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.178 5.220 3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.777 5.653 1.081 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.345 7.164 1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.246 7.275 0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.315 5.590 0.253 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.515 7.415 -0.684 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.941 7.568 -1.440 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.171 4.856 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.238 7.670 -3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -1.371 6.791 -4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.327 3.755 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.982 4.593 -4.755 1.00 0.00 H new ATOM 851 N GLN A 49 -1.647 3.116 2.062 1.00 0.00 N ATOM 852 CA GLN A 49 -1.204 1.801 1.611 1.00 0.00 C ATOM 853 C GLN A 49 -2.370 0.980 1.073 1.00 0.00 C ATOM 854 O GLN A 49 -3.530 1.247 1.385 1.00 0.00 O ATOM 855 CB GLN A 49 -0.517 1.048 2.751 1.00 0.00 C ATOM 856 CG GLN A 49 -1.396 0.862 3.975 1.00 0.00 C ATOM 857 CD GLN A 49 -1.753 -0.590 4.220 1.00 0.00 C ATOM 858 OE1 GLN A 49 -2.306 -1.263 3.350 1.00 0.00 O ATOM 859 NE2 GLN A 49 -1.436 -1.084 5.411 1.00 0.00 N ATOM 0 H GLN A 49 -2.650 3.189 2.234 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.489 1.951 0.802 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.200 0.070 2.390 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.384 1.588 3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.882 1.259 4.851 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.311 1.442 3.852 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.978 -0.491 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.650 -2.056 5.633 1.00 0.00 H new ATOM 868 N MET A 50 -2.049 -0.021 0.259 1.00 0.00 N ATOM 869 CA MET A 50 -3.064 -0.889 -0.328 1.00 0.00 C ATOM 870 C MET A 50 -2.655 -2.354 -0.218 1.00 0.00 C ATOM 871 O MET A 50 -1.469 -2.675 -0.138 1.00 0.00 O ATOM 872 CB MET A 50 -3.288 -0.525 -1.796 1.00 0.00 C ATOM 873 CG MET A 50 -4.371 -1.355 -2.467 1.00 0.00 C ATOM 874 SD MET A 50 -5.088 -0.537 -3.905 1.00 0.00 S ATOM 875 CE MET A 50 -3.621 0.113 -4.696 1.00 0.00 C ATOM 0 H MET A 50 -1.092 -0.251 -0.009 1.00 0.00 H new ATOM 0 HA MET A 50 -3.993 -0.744 0.224 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.555 0.530 -1.864 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.353 -0.653 -2.341 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.951 -2.314 -2.772 1.00 0.00 H new ATOM 0 HG3 MET A 50 -5.159 -1.567 -1.745 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.903 0.647 -5.603 1.00 0.00 H new ATOM 0 HE2 MET A 50 -3.113 0.796 -4.015 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.952 -0.708 -4.952 1.00 0.00 H new ATOM 885 N GLU A 51 -3.645 -3.240 -0.221 1.00 0.00 N ATOM 886 CA GLU A 51 -3.387 -4.674 -0.128 1.00 0.00 C ATOM 887 C GLU A 51 -4.124 -5.432 -1.228 1.00 0.00 C ATOM 888 O GLU A 51 -5.353 -5.420 -1.287 1.00 0.00 O ATOM 889 CB GLU A 51 -3.805 -5.204 1.246 1.00 0.00 C ATOM 890 CG GLU A 51 -2.709 -5.978 1.959 1.00 0.00 C ATOM 891 CD GLU A 51 -3.210 -7.271 2.573 1.00 0.00 C ATOM 892 OE1 GLU A 51 -3.359 -8.262 1.827 1.00 0.00 O ATOM 893 OE2 GLU A 51 -3.456 -7.291 3.796 1.00 0.00 O ATOM 0 H GLU A 51 -4.632 -2.992 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.317 -4.834 -0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.112 -4.366 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.676 -5.849 1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.910 -6.202 1.253 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.278 -5.353 2.741 1.00 0.00 H new ATOM 900 N LEU A 52 -3.363 -6.092 -2.097 1.00 0.00 N ATOM 901 CA LEU A 52 -3.945 -6.857 -3.196 1.00 0.00 C ATOM 902 C LEU A 52 -3.547 -8.326 -3.106 1.00 0.00 C ATOM 903 O LEU A 52 -2.407 -8.689 -3.392 1.00 0.00 O ATOM 904 CB LEU A 52 -3.499 -6.280 -4.541 1.00 0.00 C ATOM 905 CG LEU A 52 -3.535 -4.754 -4.637 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.395 -4.243 -5.507 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.876 -4.288 -5.183 1.00 0.00 C ATOM 0 H LEU A 52 -2.344 -6.113 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.030 -6.786 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.483 -6.617 -4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.135 -6.693 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.409 -4.343 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.439 -3.155 -5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.442 -4.546 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.487 -4.661 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.885 -3.200 -5.245 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.031 -4.709 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.674 -4.620 -4.519 1.00 0.00 H new ATOM 919 N HIS A 53 -4.496 -9.167 -2.708 1.00 0.00 N ATOM 920 CA HIS A 53 -4.243 -10.598 -2.583 1.00 0.00 C ATOM 921 C HIS A 53 -5.290 -11.401 -3.354 1.00 0.00 C ATOM 922 O HIS A 53 -6.486 -11.129 -3.256 1.00 0.00 O ATOM 923 CB HIS A 53 -4.255 -11.010 -1.110 1.00 0.00 C ATOM 924 CG HIS A 53 -2.945 -10.800 -0.415 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.450 -11.672 0.533 1.00 0.00 N ATOM 926 CD2 HIS A 53 -2.028 -9.811 -0.529 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.286 -11.224 0.973 1.00 0.00 C ATOM 928 NE2 HIS A 53 -1.008 -10.099 0.343 1.00 0.00 N ATOM 0 H HIS A 53 -5.446 -8.883 -2.467 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.261 -10.809 -3.006 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.027 -10.443 -0.590 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.529 -12.062 -1.039 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.088 -8.955 -1.184 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.668 -11.699 1.721 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.170 -9.534 0.482 1.00 0.00 H new ATOM 937 N PRO A 54 -4.860 -12.409 -4.134 1.00 0.00 N ATOM 938 CA PRO A 54 -5.778 -13.243 -4.914 1.00 0.00 C ATOM 939 C PRO A 54 -6.906 -13.816 -4.060 1.00 0.00 C ATOM 940 O PRO A 54 -7.970 -14.163 -4.571 1.00 0.00 O ATOM 941 CB PRO A 54 -4.883 -14.365 -5.441 1.00 0.00 C ATOM 942 CG PRO A 54 -3.513 -13.780 -5.466 1.00 0.00 C ATOM 943 CD PRO A 54 -3.454 -12.816 -4.313 1.00 0.00 C ATOM 0 HA PRO A 54 -6.276 -12.675 -5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.927 -15.242 -4.795 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.194 -14.685 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.755 -14.557 -5.365 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.323 -13.271 -6.411 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.055 -13.288 -3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.814 -11.962 -4.536 1.00 0.00 H new ATOM 951 N ASP A 55 -6.664 -13.913 -2.755 1.00 0.00 N ATOM 952 CA ASP A 55 -7.660 -14.444 -1.831 1.00 0.00 C ATOM 953 C ASP A 55 -8.385 -13.318 -1.097 1.00 0.00 C ATOM 954 O ASP A 55 -9.531 -13.478 -0.678 1.00 0.00 O ATOM 955 CB ASP A 55 -6.997 -15.383 -0.821 1.00 0.00 C ATOM 956 CG ASP A 55 -5.756 -14.778 -0.196 1.00 0.00 C ATOM 957 OD1 ASP A 55 -4.856 -14.356 -0.951 1.00 0.00 O ATOM 958 OD2 ASP A 55 -5.684 -14.726 1.050 1.00 0.00 O ATOM 0 H ASP A 55 -5.788 -13.631 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.394 -15.002 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.712 -15.631 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.732 -16.317 -1.317 1.00 0.00 H new ATOM 963 N LYS A 56 -7.714 -12.180 -0.944 1.00 0.00 N ATOM 964 CA LYS A 56 -8.302 -11.034 -0.261 1.00 0.00 C ATOM 965 C LYS A 56 -8.423 -9.837 -1.205 1.00 0.00 C ATOM 966 O LYS A 56 -7.441 -9.420 -1.820 1.00 0.00 O ATOM 967 CB LYS A 56 -7.462 -10.654 0.962 1.00 0.00 C ATOM 968 CG LYS A 56 -7.632 -11.606 2.135 1.00 0.00 C ATOM 969 CD LYS A 56 -6.293 -11.972 2.757 1.00 0.00 C ATOM 970 CE LYS A 56 -6.406 -12.136 4.265 1.00 0.00 C ATOM 971 NZ LYS A 56 -5.089 -11.975 4.942 1.00 0.00 N ATOM 0 H LYS A 56 -6.764 -12.028 -1.283 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.302 -11.315 0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.410 -10.627 0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.732 -9.647 1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.270 -11.145 2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.138 -12.511 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.927 -12.899 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.560 -11.198 2.528 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.108 -11.401 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.814 -13.121 4.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.161 -12.307 5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.370 -12.534 4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.815 -10.972 4.934 1.00 0.00 H new ATOM 985 N PRO A 57 -9.635 -9.263 -1.335 1.00 0.00 N ATOM 986 CA PRO A 57 -9.879 -8.113 -2.213 1.00 0.00 C ATOM 987 C PRO A 57 -8.949 -6.941 -1.911 1.00 0.00 C ATOM 988 O PRO A 57 -8.189 -6.971 -0.944 1.00 0.00 O ATOM 989 CB PRO A 57 -11.338 -7.729 -1.929 1.00 0.00 C ATOM 990 CG PRO A 57 -11.699 -8.439 -0.668 1.00 0.00 C ATOM 991 CD PRO A 57 -10.863 -9.683 -0.641 1.00 0.00 C ATOM 0 HA PRO A 57 -9.693 -8.362 -3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.445 -6.650 -1.816 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.990 -8.030 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.498 -7.815 0.203 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.761 -8.682 -0.647 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.660 -10.012 0.378 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.354 -10.512 -1.152 1.00 0.00 H new ATOM 999 N PRO A 58 -8.998 -5.888 -2.746 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.156 -4.699 -2.573 1.00 0.00 C ATOM 1001 C PRO A 58 -8.401 -4.003 -1.238 1.00 0.00 C ATOM 1002 O PRO A 58 -9.220 -3.089 -1.143 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.573 -3.782 -3.732 1.00 0.00 C ATOM 1004 CG PRO A 58 -9.230 -4.679 -4.722 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.874 -5.775 -3.924 1.00 0.00 C ATOM 0 HA PRO A 58 -7.096 -4.955 -2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.256 -3.003 -3.392 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.709 -3.280 -4.168 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.971 -4.136 -5.309 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.502 -5.084 -5.425 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.896 -5.522 -3.643 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.919 -6.709 -4.484 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.680 -4.434 -0.209 1.00 0.00 N ATOM 1014 CA ILE A 59 -7.816 -3.844 1.116 1.00 0.00 C ATOM 1015 C ILE A 59 -7.240 -2.434 1.142 1.00 0.00 C ATOM 1016 O ILE A 59 -6.026 -2.247 1.226 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.119 -4.702 2.191 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -7.701 -6.116 2.196 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.249 -4.064 3.569 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -6.901 -7.093 3.027 1.00 0.00 C ATOM 0 H ILE A 59 -6.996 -5.189 -0.267 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.882 -3.803 1.341 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.058 -4.760 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.722 -6.079 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.755 -6.482 1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.749 -4.690 4.308 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.788 -3.076 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.304 -3.969 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.371 -8.076 2.986 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.886 -7.159 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.868 -6.750 4.061 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.121 -1.445 1.063 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.709 -0.046 1.076 1.00 0.00 C ATOM 1034 C LEU A 60 -7.377 0.405 2.495 1.00 0.00 C ATOM 1035 O LEU A 60 -8.201 0.288 3.401 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.816 0.834 0.486 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.645 1.219 -0.990 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.900 0.135 -1.760 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -10.002 1.481 -1.626 1.00 0.00 C ATOM 0 H LEU A 60 -9.129 -1.586 0.989 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.812 0.056 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.767 0.314 0.599 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.881 1.748 1.076 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.051 2.132 -1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.794 0.436 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.912 -0.009 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.460 -0.799 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.867 1.753 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.614 0.581 -1.561 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.499 2.296 -1.100 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.163 0.912 2.682 1.00 0.00 N ATOM 1052 CA LEU A 61 -5.723 1.371 3.994 1.00 0.00 C ATOM 1053 C LEU A 61 -5.334 2.845 3.962 1.00 0.00 C ATOM 1054 O LEU A 61 -4.702 3.313 3.012 1.00 0.00 O ATOM 1055 CB LEU A 61 -4.544 0.529 4.481 1.00 0.00 C ATOM 1056 CG LEU A 61 -4.911 -0.583 5.461 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -5.572 0.003 6.697 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -5.826 -1.599 4.795 1.00 0.00 C ATOM 0 H LEU A 61 -5.468 1.015 1.943 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.557 1.255 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.052 0.084 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.817 1.188 4.957 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.998 -1.094 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.829 -0.800 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.884 0.695 7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.478 0.536 6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.078 -2.384 5.508 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.739 -1.104 4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.318 -2.038 3.936 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.711 3.569 5.012 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.402 4.990 5.113 1.00 0.00 C ATOM 1072 C VAL A 62 -5.225 5.408 6.571 1.00 0.00 C ATOM 1073 O VAL A 62 -5.971 4.970 7.446 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.507 5.853 4.467 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.799 5.763 5.265 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -6.049 7.297 4.338 1.00 0.00 C ATOM 0 H VAL A 62 -6.231 3.194 5.805 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.468 5.153 4.576 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.702 5.467 3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.563 6.379 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.136 4.727 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.625 6.118 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.841 7.890 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.821 7.696 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.156 7.341 3.714 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.233 6.255 6.826 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.964 6.726 8.180 1.00 0.00 C ATOM 1088 C ALA A 63 -5.178 7.443 8.760 1.00 0.00 C ATOM 1089 O ALA A 63 -6.025 7.948 8.022 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.747 7.641 8.190 1.00 0.00 C ATOM 0 H ALA A 63 -3.604 6.628 6.115 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.754 5.859 8.807 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.559 7.985 9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.878 7.094 7.825 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.932 8.500 7.545 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.261 7.478 10.087 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.380 8.131 10.742 1.00 0.00 C ATOM 1098 C GLY A 64 -7.571 7.206 10.894 1.00 0.00 C ATOM 1099 O GLY A 64 -7.977 6.883 12.011 1.00 0.00 O ATOM 0 H GLY A 64 -4.574 7.066 10.719 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.068 8.484 11.725 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.674 9.009 10.167 1.00 0.00 H new ATOM 1103 N LYS A 65 -8.128 6.777 9.767 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.275 5.878 9.774 1.00 0.00 C ATOM 1105 C LYS A 65 -8.841 4.463 10.134 1.00 0.00 C ATOM 1106 O LYS A 65 -9.179 3.948 11.200 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.960 5.889 8.404 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.351 6.500 8.424 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.432 5.429 8.407 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.510 4.696 9.736 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.091 5.551 10.810 1.00 0.00 N ATOM 0 H LYS A 65 -7.803 7.038 8.836 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.984 6.224 10.526 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.339 6.444 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.027 4.867 8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.465 7.119 9.314 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.474 7.156 7.562 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.396 5.887 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.227 4.716 7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.116 3.797 9.620 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.512 4.371 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.315 4.963 11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -12.404 6.283 11.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.960 6.004 10.461 1.00 0.00 H new ATOM 1125 N ASP A 66 -8.083 3.840 9.237 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.590 2.487 9.457 1.00 0.00 C ATOM 1127 C ASP A 66 -6.163 2.522 10.000 1.00 0.00 C ATOM 1128 O ASP A 66 -5.285 1.807 9.521 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.637 1.687 8.153 1.00 0.00 C ATOM 1130 CG ASP A 66 -9.041 1.587 7.587 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.917 2.360 8.029 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -9.264 0.732 6.705 1.00 0.00 O ATOM 0 H ASP A 66 -7.797 4.253 8.349 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.231 2.000 10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.984 2.157 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.247 0.685 8.330 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.946 3.368 11.002 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.630 3.514 11.614 1.00 0.00 C ATOM 1139 C ASP A 67 -4.178 2.217 12.282 1.00 0.00 C ATOM 1140 O ASP A 67 -2.981 1.978 12.441 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.652 4.647 12.643 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.393 5.491 12.598 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.289 4.909 12.525 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -3.509 6.734 12.637 1.00 0.00 O ATOM 0 H ASP A 67 -6.667 3.964 11.408 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.919 3.754 10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.519 5.282 12.462 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.769 4.226 13.641 1.00 0.00 H new ATOM 1149 N MET A 68 -5.137 1.385 12.678 1.00 0.00 N ATOM 1150 CA MET A 68 -4.827 0.121 13.333 1.00 0.00 C ATOM 1151 C MET A 68 -4.564 -0.980 12.309 1.00 0.00 C ATOM 1152 O MET A 68 -3.720 -1.850 12.523 1.00 0.00 O ATOM 1153 CB MET A 68 -5.974 -0.291 14.260 1.00 0.00 C ATOM 1154 CG MET A 68 -5.622 -0.200 15.737 1.00 0.00 C ATOM 1155 SD MET A 68 -6.287 -1.574 16.698 1.00 0.00 S ATOM 1156 CE MET A 68 -5.448 -2.960 15.933 1.00 0.00 C ATOM 0 H MET A 68 -6.134 1.564 12.556 1.00 0.00 H new ATOM 0 HA MET A 68 -3.922 0.262 13.924 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.838 0.343 14.061 1.00 0.00 H new ATOM 0 HB3 MET A 68 -6.269 -1.314 14.027 1.00 0.00 H new ATOM 0 HG2 MET A 68 -4.538 -0.176 15.847 1.00 0.00 H new ATOM 0 HG3 MET A 68 -6.004 0.738 16.140 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.338 -3.765 16.660 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.032 -3.315 15.084 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.463 -2.644 15.589 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.295 -0.938 11.201 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.144 -1.937 10.151 1.00 0.00 C ATOM 1168 C GLU A 69 -3.936 -1.633 9.267 1.00 0.00 C ATOM 1169 O GLU A 69 -3.247 -2.546 8.810 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.410 -2.005 9.298 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.506 -2.864 9.904 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.141 -2.226 11.124 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -7.625 -2.441 12.242 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -9.151 -1.511 10.963 1.00 0.00 O ATOM 0 H GLU A 69 -5.997 -0.224 11.007 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.982 -2.903 10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.792 -0.995 9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.154 -2.398 8.314 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.275 -3.048 9.153 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.091 -3.834 10.180 1.00 0.00 H new ATOM 1181 N MET A 70 -3.687 -0.349 9.026 1.00 0.00 N ATOM 1182 CA MET A 70 -2.564 0.069 8.191 1.00 0.00 C ATOM 1183 C MET A 70 -1.246 -0.491 8.720 1.00 0.00 C ATOM 1184 O MET A 70 -1.233 -1.347 9.605 1.00 0.00 O ATOM 1185 CB MET A 70 -2.496 1.594 8.117 1.00 0.00 C ATOM 1186 CG MET A 70 -2.092 2.261 9.425 1.00 0.00 C ATOM 1187 SD MET A 70 -1.390 3.907 9.186 1.00 0.00 S ATOM 1188 CE MET A 70 -2.135 4.387 7.628 1.00 0.00 C ATOM 0 H MET A 70 -4.246 0.419 9.396 1.00 0.00 H new ATOM 0 HA MET A 70 -2.724 -0.328 7.189 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.785 1.878 7.341 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.470 1.976 7.812 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.964 2.334 10.074 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.365 1.632 9.938 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.878 5.423 7.406 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.762 3.742 6.832 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.218 4.289 7.697 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.140 -0.001 8.173 1.00 0.00 N ATOM 1199 CA CYS A 71 1.182 -0.452 8.591 1.00 0.00 C ATOM 1200 C CYS A 71 1.478 0.004 10.015 1.00 0.00 C ATOM 1201 O CYS A 71 1.976 -0.768 10.834 1.00 0.00 O ATOM 1202 CB CYS A 71 2.262 0.076 7.640 1.00 0.00 C ATOM 1203 SG CYS A 71 1.783 0.102 5.896 1.00 0.00 S ATOM 0 H CYS A 71 -0.132 0.708 7.440 1.00 0.00 H new ATOM 0 HA CYS A 71 1.191 -1.542 8.560 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.532 1.087 7.944 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.155 -0.539 7.749 1.00 0.00 H new ATOM 0 HG CYS A 71 2.326 -0.907 5.282 1.00 0.00 H new ATOM 1209 N GLU A 72 1.161 1.265 10.304 1.00 0.00 N ATOM 1210 CA GLU A 72 1.390 1.830 11.630 1.00 0.00 C ATOM 1211 C GLU A 72 2.879 1.993 11.907 1.00 0.00 C ATOM 1212 O GLU A 72 3.376 3.108 12.062 1.00 0.00 O ATOM 1213 CB GLU A 72 0.749 0.951 12.707 1.00 0.00 C ATOM 1214 CG GLU A 72 0.109 1.742 13.838 1.00 0.00 C ATOM 1215 CD GLU A 72 0.739 1.447 15.186 1.00 0.00 C ATOM 1216 OE1 GLU A 72 1.975 1.589 15.307 1.00 0.00 O ATOM 1217 OE2 GLU A 72 -0.002 1.075 16.120 1.00 0.00 O ATOM 0 H GLU A 72 0.745 1.914 9.636 1.00 0.00 H new ATOM 0 HA GLU A 72 0.926 2.816 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.008 0.318 12.244 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.508 0.288 13.123 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.196 2.808 13.626 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.956 1.512 13.880 1.00 0.00 H new ATOM 1224 N LYS A 73 3.585 0.871 11.969 1.00 0.00 N ATOM 1225 CA LYS A 73 5.020 0.876 12.227 1.00 0.00 C ATOM 1226 C LYS A 73 5.754 1.773 11.234 1.00 0.00 C ATOM 1227 O LYS A 73 5.142 2.363 10.344 1.00 0.00 O ATOM 1228 CB LYS A 73 5.576 -0.546 12.149 1.00 0.00 C ATOM 1229 CG LYS A 73 5.265 -1.391 13.372 1.00 0.00 C ATOM 1230 CD LYS A 73 3.794 -1.776 13.425 1.00 0.00 C ATOM 1231 CE LYS A 73 3.580 -3.048 14.230 1.00 0.00 C ATOM 1232 NZ LYS A 73 2.135 -3.344 14.427 1.00 0.00 N ATOM 0 H LYS A 73 3.185 -0.059 11.843 1.00 0.00 H new ATOM 0 HA LYS A 73 5.179 1.271 13.230 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.169 -1.038 11.265 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.657 -0.497 12.017 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.878 -2.292 13.358 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.530 -0.839 14.274 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.220 -0.963 13.868 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.417 -1.917 12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.056 -3.885 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.066 -2.949 15.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.032 -4.219 14.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.686 -2.557 14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.676 -3.464 13.502 1.00 0.00 H new ATOM 1246 N ASN A 74 7.069 1.869 11.392 1.00 0.00 N ATOM 1247 CA ASN A 74 7.889 2.690 10.508 1.00 0.00 C ATOM 1248 C ASN A 74 8.471 1.846 9.378 1.00 0.00 C ATOM 1249 O ASN A 74 8.065 0.704 9.172 1.00 0.00 O ATOM 1250 CB ASN A 74 9.013 3.363 11.301 1.00 0.00 C ATOM 1251 CG ASN A 74 8.493 4.133 12.501 1.00 0.00 C ATOM 1252 OD1 ASN A 74 8.175 3.548 13.536 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.405 5.454 12.370 1.00 0.00 N ATOM 0 H ASN A 74 7.591 1.388 12.125 1.00 0.00 H new ATOM 0 HA ASN A 74 7.257 3.463 10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.721 2.605 11.638 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.560 4.042 10.646 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.063 6.022 13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.679 5.899 11.494 1.00 0.00 H new ATOM 1260 N LEU A 75 9.418 2.419 8.641 1.00 0.00 N ATOM 1261 CA LEU A 75 10.048 1.719 7.526 1.00 0.00 C ATOM 1262 C LEU A 75 10.983 0.615 8.018 1.00 0.00 C ATOM 1263 O LEU A 75 10.870 -0.538 7.601 1.00 0.00 O ATOM 1264 CB LEU A 75 10.821 2.708 6.652 1.00 0.00 C ATOM 1265 CG LEU A 75 10.068 3.207 5.419 1.00 0.00 C ATOM 1266 CD1 LEU A 75 10.949 4.132 4.593 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.587 2.033 4.581 1.00 0.00 C ATOM 0 H LEU A 75 9.766 3.365 8.795 1.00 0.00 H new ATOM 0 HA LEU A 75 9.259 1.255 6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.099 3.568 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.747 2.235 6.326 1.00 0.00 H new ATOM 0 HG LEU A 75 9.197 3.772 5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 75 10.396 4.477 3.719 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.244 4.989 5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.839 3.593 4.269 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.053 2.405 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.444 1.441 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.919 1.410 5.176 1.00 0.00 H new ATOM 1279 N GLU A 76 11.908 0.978 8.898 1.00 0.00 N ATOM 1280 CA GLU A 76 12.867 0.020 9.439 1.00 0.00 C ATOM 1281 C GLU A 76 12.159 -1.114 10.177 1.00 0.00 C ATOM 1282 O GLU A 76 12.642 -2.246 10.203 1.00 0.00 O ATOM 1283 CB GLU A 76 13.845 0.723 10.380 1.00 0.00 C ATOM 1284 CG GLU A 76 13.169 1.644 11.383 1.00 0.00 C ATOM 1285 CD GLU A 76 13.341 1.177 12.815 1.00 0.00 C ATOM 1286 OE1 GLU A 76 14.478 1.241 13.327 1.00 0.00 O ATOM 1287 OE2 GLU A 76 12.339 0.750 13.426 1.00 0.00 O ATOM 0 H GLU A 76 12.015 1.928 9.253 1.00 0.00 H new ATOM 0 HA GLU A 76 13.419 -0.409 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.421 -0.029 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.554 1.302 9.788 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.579 2.649 11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.106 1.709 11.152 1.00 0.00 H new ATOM 1294 N GLU A 77 11.018 -0.801 10.780 1.00 0.00 N ATOM 1295 CA GLU A 77 10.252 -1.794 11.526 1.00 0.00 C ATOM 1296 C GLU A 77 9.415 -2.665 10.593 1.00 0.00 C ATOM 1297 O GLU A 77 9.246 -3.861 10.833 1.00 0.00 O ATOM 1298 CB GLU A 77 9.343 -1.103 12.544 1.00 0.00 C ATOM 1299 CG GLU A 77 8.575 -2.072 13.430 1.00 0.00 C ATOM 1300 CD GLU A 77 7.973 -1.398 14.646 1.00 0.00 C ATOM 1301 OE1 GLU A 77 7.647 -0.195 14.558 1.00 0.00 O ATOM 1302 OE2 GLU A 77 7.831 -2.071 15.688 1.00 0.00 O ATOM 0 H GLU A 77 10.603 0.131 10.767 1.00 0.00 H new ATOM 0 HA GLU A 77 10.959 -2.437 12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.947 -0.449 13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.633 -0.468 12.013 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.781 -2.539 12.848 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.243 -2.869 13.755 1.00 0.00 H new ATOM 1309 N THR A 78 8.889 -2.063 9.533 1.00 0.00 N ATOM 1310 CA THR A 78 8.066 -2.791 8.572 1.00 0.00 C ATOM 1311 C THR A 78 8.861 -3.911 7.907 1.00 0.00 C ATOM 1312 O THR A 78 8.743 -5.076 8.288 1.00 0.00 O ATOM 1313 CB THR A 78 7.512 -1.837 7.513 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.436 -0.797 7.240 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.203 -1.195 7.916 1.00 0.00 C ATOM 0 H THR A 78 9.017 -1.074 9.316 1.00 0.00 H new ATOM 0 HA THR A 78 7.233 -3.239 9.114 1.00 0.00 H new ATOM 0 HB THR A 78 7.341 -2.453 6.630 1.00 0.00 H new ATOM 0 HG1 THR A 78 8.257 -0.037 7.832 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.864 -0.530 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.455 -1.969 8.085 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.346 -0.622 8.832 1.00 0.00 H new ATOM 1323 N GLY A 79 9.670 -3.555 6.912 1.00 0.00 N ATOM 1324 CA GLY A 79 10.466 -4.550 6.218 1.00 0.00 C ATOM 1325 C GLY A 79 10.685 -4.219 4.752 1.00 0.00 C ATOM 1326 O GLY A 79 11.570 -4.787 4.112 1.00 0.00 O ATOM 0 H GLY A 79 9.787 -2.599 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.433 -4.642 6.712 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.974 -5.520 6.296 1.00 0.00 H new ATOM 1330 N LEU A 80 9.883 -3.302 4.217 1.00 0.00 N ATOM 1331 CA LEU A 80 10.005 -2.907 2.817 1.00 0.00 C ATOM 1332 C LEU A 80 11.431 -2.474 2.496 1.00 0.00 C ATOM 1333 O LEU A 80 11.933 -2.715 1.398 1.00 0.00 O ATOM 1334 CB LEU A 80 9.034 -1.769 2.500 1.00 0.00 C ATOM 1335 CG LEU A 80 7.556 -2.161 2.511 1.00 0.00 C ATOM 1336 CD1 LEU A 80 6.707 -1.028 3.068 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.094 -2.541 1.111 1.00 0.00 C ATOM 0 H LEU A 80 9.144 -2.820 4.730 1.00 0.00 H new ATOM 0 HA LEU A 80 9.758 -3.771 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.188 -0.968 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.280 -1.364 1.518 1.00 0.00 H new ATOM 0 HG LEU A 80 7.435 -3.029 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.658 -1.325 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.021 -0.805 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.833 -0.140 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.040 -2.817 1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.230 -1.693 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.681 -3.386 0.751 1.00 0.00 H new ATOM 1349 N THR A 81 12.077 -1.838 3.463 1.00 0.00 N ATOM 1350 CA THR A 81 13.447 -1.372 3.290 1.00 0.00 C ATOM 1351 C THR A 81 14.434 -2.509 3.527 1.00 0.00 C ATOM 1352 O THR A 81 15.428 -2.641 2.812 1.00 0.00 O ATOM 1353 CB THR A 81 13.738 -0.214 4.243 1.00 0.00 C ATOM 1354 OG1 THR A 81 13.340 -0.539 5.564 1.00 0.00 O ATOM 1355 CG2 THR A 81 13.038 1.069 3.854 1.00 0.00 C ATOM 0 H THR A 81 11.674 -1.632 4.377 1.00 0.00 H new ATOM 0 HA THR A 81 13.563 -1.021 2.265 1.00 0.00 H new ATOM 0 HB THR A 81 14.815 -0.054 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 81 13.536 0.214 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 81 13.287 1.851 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 81 13.362 1.373 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.960 0.909 3.851 1.00 0.00 H new ATOM 1363 N ARG A 82 14.150 -3.333 4.530 1.00 0.00 N ATOM 1364 CA ARG A 82 15.009 -4.465 4.855 1.00 0.00 C ATOM 1365 C ARG A 82 15.034 -5.465 3.705 1.00 0.00 C ATOM 1366 O ARG A 82 16.033 -6.153 3.487 1.00 0.00 O ATOM 1367 CB ARG A 82 14.526 -5.149 6.135 1.00 0.00 C ATOM 1368 CG ARG A 82 14.186 -4.178 7.254 1.00 0.00 C ATOM 1369 CD ARG A 82 15.156 -4.302 8.418 1.00 0.00 C ATOM 1370 NE ARG A 82 14.628 -5.152 9.482 1.00 0.00 N ATOM 1371 CZ ARG A 82 15.339 -5.555 10.532 1.00 0.00 C ATOM 1372 NH1 ARG A 82 16.608 -5.186 10.664 1.00 0.00 N ATOM 1373 NH2 ARG A 82 14.782 -6.328 11.453 1.00 0.00 N ATOM 0 H ARG A 82 13.332 -3.238 5.132 1.00 0.00 H new ATOM 0 HA ARG A 82 16.021 -4.093 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 82 13.645 -5.749 5.906 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.298 -5.836 6.483 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.206 -3.158 6.870 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.171 -4.367 7.604 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.100 -4.713 8.061 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.371 -3.311 8.818 1.00 0.00 H new ATOM 0 HE ARG A 82 13.656 -5.455 9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 82 17.042 -4.591 9.959 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.148 -5.498 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.808 -6.614 11.357 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.328 -6.637 12.258 1.00 0.00 H new ATOM 1387 N LYS A 83 13.929 -5.539 2.971 1.00 0.00 N ATOM 1388 CA LYS A 83 13.819 -6.450 1.838 1.00 0.00 C ATOM 1389 C LYS A 83 14.880 -6.137 0.789 1.00 0.00 C ATOM 1390 O LYS A 83 15.834 -5.405 1.055 1.00 0.00 O ATOM 1391 CB LYS A 83 12.422 -6.354 1.219 1.00 0.00 C ATOM 1392 CG LYS A 83 11.695 -7.689 1.146 1.00 0.00 C ATOM 1393 CD LYS A 83 10.642 -7.814 2.237 1.00 0.00 C ATOM 1394 CE LYS A 83 11.048 -8.829 3.293 1.00 0.00 C ATOM 1395 NZ LYS A 83 9.869 -9.508 3.895 1.00 0.00 N ATOM 0 H LYS A 83 13.095 -4.977 3.141 1.00 0.00 H new ATOM 0 HA LYS A 83 13.980 -7.467 2.197 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.823 -5.655 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.507 -5.940 0.214 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.222 -7.793 0.170 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.415 -8.502 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.486 -6.843 2.706 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.691 -8.110 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.706 -9.574 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.618 -8.329 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.190 -10.192 4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.253 -8.801 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.339 -10.007 3.152 1.00 0.00 H new ATOM 1409 N ARG A 84 14.708 -6.692 -0.408 1.00 0.00 N ATOM 1410 CA ARG A 84 15.650 -6.466 -1.496 1.00 0.00 C ATOM 1411 C ARG A 84 15.096 -5.449 -2.489 1.00 0.00 C ATOM 1412 O ARG A 84 14.516 -5.817 -3.512 1.00 0.00 O ATOM 1413 CB ARG A 84 15.962 -7.783 -2.211 1.00 0.00 C ATOM 1414 CG ARG A 84 17.397 -8.249 -2.028 1.00 0.00 C ATOM 1415 CD ARG A 84 18.341 -7.528 -2.975 1.00 0.00 C ATOM 1416 NE ARG A 84 19.626 -8.214 -3.096 1.00 0.00 N ATOM 1417 CZ ARG A 84 19.823 -9.291 -3.854 1.00 0.00 C ATOM 1418 NH1 ARG A 84 18.824 -9.807 -4.559 1.00 0.00 N ATOM 1419 NH2 ARG A 84 21.023 -9.852 -3.906 1.00 0.00 N ATOM 0 H ARG A 84 13.925 -7.301 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 84 16.571 -6.067 -1.072 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.288 -8.556 -1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.760 -7.666 -3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 84 17.709 -8.074 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 84 17.457 -9.324 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.878 -7.450 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.505 -6.511 -2.618 1.00 0.00 H new ATOM 0 HE ARG A 84 20.418 -7.846 -2.569 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.899 -9.378 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 84 18.981 -10.632 -5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.794 -9.459 -3.366 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.176 -10.677 -4.486 1.00 0.00 H new ATOM 1433 N GLY A 85 15.274 -4.170 -2.178 1.00 0.00 N ATOM 1434 CA GLY A 85 14.781 -3.120 -3.052 1.00 0.00 C ATOM 1435 C GLY A 85 13.286 -3.213 -3.277 1.00 0.00 C ATOM 1436 O GLY A 85 12.836 -3.566 -4.367 1.00 0.00 O ATOM 0 H GLY A 85 15.750 -3.841 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.021 -2.148 -2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.295 -3.178 -4.012 1.00 0.00 H new ATOM 1440 N ALA A 86 12.514 -2.895 -2.243 1.00 0.00 N ATOM 1441 CA ALA A 86 11.059 -2.947 -2.334 1.00 0.00 C ATOM 1442 C ALA A 86 10.480 -1.565 -2.604 1.00 0.00 C ATOM 1443 O ALA A 86 9.399 -1.234 -2.124 1.00 0.00 O ATOM 1444 CB ALA A 86 10.472 -3.523 -1.056 1.00 0.00 C ATOM 0 H ALA A 86 12.870 -2.599 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 86 10.794 -3.596 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.386 -3.556 -1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.855 -4.532 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 86 10.754 -2.895 -0.211 1.00 0.00 H new ATOM 1450 N GLU A 87 11.207 -0.761 -3.372 1.00 0.00 N ATOM 1451 CA GLU A 87 10.762 0.589 -3.701 1.00 0.00 C ATOM 1452 C GLU A 87 9.947 0.603 -4.991 1.00 0.00 C ATOM 1453 O GLU A 87 10.192 -0.190 -5.901 1.00 0.00 O ATOM 1454 CB GLU A 87 11.964 1.526 -3.836 1.00 0.00 C ATOM 1455 CG GLU A 87 11.580 2.980 -4.061 1.00 0.00 C ATOM 1456 CD GLU A 87 12.776 3.856 -4.379 1.00 0.00 C ATOM 1457 OE1 GLU A 87 13.619 3.435 -5.201 1.00 0.00 O ATOM 1458 OE2 GLU A 87 12.869 4.961 -3.808 1.00 0.00 O ATOM 0 H GLU A 87 12.106 -1.020 -3.778 1.00 0.00 H new ATOM 0 HA GLU A 87 10.124 0.937 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.573 1.455 -2.934 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.585 1.190 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.862 3.040 -4.879 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.081 3.362 -3.171 1.00 0.00 H new ATOM 1465 N ILE A 88 8.981 1.514 -5.063 1.00 0.00 N ATOM 1466 CA ILE A 88 8.129 1.641 -6.242 1.00 0.00 C ATOM 1467 C ILE A 88 7.881 3.105 -6.583 1.00 0.00 C ATOM 1468 O ILE A 88 8.358 4.004 -5.892 1.00 0.00 O ATOM 1469 CB ILE A 88 6.770 0.947 -6.037 1.00 0.00 C ATOM 1470 CG1 ILE A 88 6.129 1.408 -4.730 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.931 -0.564 -6.051 1.00 0.00 C ATOM 1472 CD1 ILE A 88 4.666 1.754 -4.875 1.00 0.00 C ATOM 0 H ILE A 88 8.768 2.177 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 88 8.658 1.156 -7.063 1.00 0.00 H new ATOM 0 HB ILE A 88 6.113 1.226 -6.861 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.238 0.622 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.667 2.280 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.959 -1.035 -5.905 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.345 -0.877 -7.010 1.00 0.00 H new ATOM 0 HG23 ILE A 88 7.605 -0.866 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.271 2.074 -3.911 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.553 2.561 -5.599 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.117 0.877 -5.219 1.00 0.00 H new ATOM 1484 N LEU A 89 7.123 3.337 -7.651 1.00 0.00 N ATOM 1485 CA LEU A 89 6.803 4.693 -8.079 1.00 0.00 C ATOM 1486 C LEU A 89 5.352 5.032 -7.752 1.00 0.00 C ATOM 1487 O LEU A 89 4.491 4.153 -7.730 1.00 0.00 O ATOM 1488 CB LEU A 89 7.049 4.850 -9.582 1.00 0.00 C ATOM 1489 CG LEU A 89 6.377 3.794 -10.462 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.805 4.429 -11.720 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.364 2.694 -10.822 1.00 0.00 C ATOM 0 H LEU A 89 6.720 2.604 -8.234 1.00 0.00 H new ATOM 0 HA LEU A 89 7.453 5.382 -7.540 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.699 5.835 -9.891 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.123 4.822 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 89 5.556 3.351 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.332 3.661 -12.332 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.065 5.181 -11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.608 4.901 -12.287 1.00 0.00 H new ATOM 0 HD21 LEU A 89 6.869 1.952 -11.448 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.206 3.124 -11.365 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.726 2.217 -9.911 1.00 0.00 H new ATOM 1503 N PRO A 90 5.059 6.317 -7.492 1.00 0.00 N ATOM 1504 CA PRO A 90 3.702 6.765 -7.165 1.00 0.00 C ATOM 1505 C PRO A 90 2.721 6.511 -8.304 1.00 0.00 C ATOM 1506 O PRO A 90 1.533 6.281 -8.074 1.00 0.00 O ATOM 1507 CB PRO A 90 3.862 8.270 -6.921 1.00 0.00 C ATOM 1508 CG PRO A 90 5.137 8.640 -7.600 1.00 0.00 C ATOM 1509 CD PRO A 90 6.021 7.431 -7.497 1.00 0.00 C ATOM 0 HA PRO A 90 3.294 6.227 -6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.020 8.828 -7.332 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.903 8.494 -5.855 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.962 8.909 -8.642 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.599 9.504 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.712 7.364 -8.337 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.624 7.448 -6.589 1.00 0.00 H new ATOM 1517 N ARG A 91 3.224 6.554 -9.532 1.00 0.00 N ATOM 1518 CA ARG A 91 2.393 6.332 -10.710 1.00 0.00 C ATOM 1519 C ARG A 91 1.683 4.982 -10.643 1.00 0.00 C ATOM 1520 O ARG A 91 0.462 4.907 -10.773 1.00 0.00 O ATOM 1521 CB ARG A 91 3.249 6.408 -11.977 1.00 0.00 C ATOM 1522 CG ARG A 91 2.645 7.276 -13.066 1.00 0.00 C ATOM 1523 CD ARG A 91 1.863 6.447 -14.071 1.00 0.00 C ATOM 1524 NE ARG A 91 2.713 5.944 -15.147 1.00 0.00 N ATOM 1525 CZ ARG A 91 3.097 6.674 -16.192 1.00 0.00 C ATOM 1526 NH1 ARG A 91 2.707 7.939 -16.306 1.00 0.00 N ATOM 1527 NH2 ARG A 91 3.872 6.139 -17.124 1.00 0.00 N ATOM 0 H ARG A 91 4.205 6.741 -9.739 1.00 0.00 H new ATOM 0 HA ARG A 91 1.633 7.113 -10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.234 6.797 -11.718 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.397 5.401 -12.367 1.00 0.00 H new ATOM 0 HG2 ARG A 91 1.987 8.020 -12.617 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.437 7.820 -13.580 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.391 5.608 -13.560 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.062 7.053 -14.495 1.00 0.00 H new ATOM 0 HE ARG A 91 3.031 4.976 -15.095 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.111 8.355 -15.591 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.004 8.494 -17.109 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.174 5.168 -17.041 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.167 6.698 -17.925 1.00 0.00 H new ATOM 1541 N GLN A 92 2.456 3.920 -10.446 1.00 0.00 N ATOM 1542 CA GLN A 92 1.903 2.571 -10.369 1.00 0.00 C ATOM 1543 C GLN A 92 0.978 2.416 -9.166 1.00 0.00 C ATOM 1544 O GLN A 92 -0.173 1.997 -9.305 1.00 0.00 O ATOM 1545 CB GLN A 92 3.032 1.542 -10.293 1.00 0.00 C ATOM 1546 CG GLN A 92 3.888 1.481 -11.546 1.00 0.00 C ATOM 1547 CD GLN A 92 4.240 0.062 -11.944 1.00 0.00 C ATOM 1548 OE1 GLN A 92 5.270 -0.473 -11.533 1.00 0.00 O ATOM 1549 NE2 GLN A 92 3.384 -0.557 -12.749 1.00 0.00 N ATOM 0 H GLN A 92 3.469 3.966 -10.336 1.00 0.00 H new ATOM 0 HA GLN A 92 1.316 2.399 -11.272 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.669 1.777 -9.440 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.602 0.557 -10.109 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.358 1.964 -12.367 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.805 2.047 -11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 92 2.542 -0.076 -13.066 1.00 0.00 H new ATOM 0 HE22 GLN A 92 3.568 -1.514 -13.051 1.00 0.00 H new ATOM 1558 N PHE A 93 1.486 2.750 -7.984 1.00 0.00 N ATOM 1559 CA PHE A 93 0.708 2.642 -6.755 1.00 0.00 C ATOM 1560 C PHE A 93 -0.627 3.365 -6.883 1.00 0.00 C ATOM 1561 O PHE A 93 -1.685 2.783 -6.642 1.00 0.00 O ATOM 1562 CB PHE A 93 1.497 3.207 -5.572 1.00 0.00 C ATOM 1563 CG PHE A 93 0.788 3.080 -4.252 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.079 2.024 -4.009 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.990 4.016 -3.251 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.730 1.908 -2.797 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.342 3.904 -2.035 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.520 2.848 -1.808 1.00 0.00 C ATOM 0 H PHE A 93 2.435 3.099 -7.851 1.00 0.00 H new ATOM 0 HA PHE A 93 0.509 1.585 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.456 2.694 -5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 93 1.710 4.259 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.247 1.284 -4.777 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.662 4.844 -3.423 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.403 1.082 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.509 4.641 -1.263 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.028 2.758 -0.859 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.576 4.635 -7.275 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.790 5.422 -7.441 1.00 0.00 C ATOM 1580 C GLU A 94 -2.623 4.877 -8.598 1.00 0.00 C ATOM 1581 O GLU A 94 -3.836 5.084 -8.652 1.00 0.00 O ATOM 1582 CB GLU A 94 -1.452 6.895 -7.678 1.00 0.00 C ATOM 1583 CG GLU A 94 -2.298 7.848 -6.848 1.00 0.00 C ATOM 1584 CD GLU A 94 -1.485 8.985 -6.257 1.00 0.00 C ATOM 1585 OE1 GLU A 94 -1.061 9.874 -7.026 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -1.274 8.986 -5.025 1.00 0.00 O ATOM 0 H GLU A 94 0.288 5.137 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.374 5.347 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.399 7.061 -7.448 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.588 7.126 -8.735 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.092 8.259 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.779 7.293 -6.043 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.969 4.166 -9.514 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.657 3.579 -10.655 1.00 0.00 C ATOM 1595 C GLU A 95 -3.706 2.591 -10.170 1.00 0.00 C ATOM 1596 O GLU A 95 -4.869 2.649 -10.570 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.658 2.872 -11.573 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.734 3.332 -13.019 1.00 0.00 C ATOM 1599 CD GLU A 95 -1.044 2.377 -13.972 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.022 1.161 -13.684 1.00 0.00 O ATOM 1601 OE2 GLU A 95 -0.525 2.843 -15.009 1.00 0.00 O ATOM 0 H GLU A 95 -0.966 3.984 -9.486 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.146 4.374 -11.219 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.649 3.042 -11.198 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.836 1.797 -11.532 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.780 3.436 -13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.279 4.319 -13.107 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.282 1.689 -9.291 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.179 0.693 -8.733 1.00 0.00 C ATOM 1610 C ILE A 96 -5.157 1.336 -7.760 1.00 0.00 C ATOM 1611 O ILE A 96 -6.316 0.931 -7.667 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.394 -0.410 -8.011 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.245 -0.901 -8.894 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.318 -1.560 -7.635 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.668 -1.242 -10.308 1.00 0.00 C ATOM 0 H ILE A 96 -2.322 1.630 -8.952 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.734 0.249 -9.560 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.973 -0.000 -7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.472 -0.133 -8.930 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.797 -1.782 -8.435 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -3.746 -2.334 -7.124 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.104 -1.194 -6.975 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.766 -1.976 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.802 -1.583 -10.875 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.418 -2.032 -10.283 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.089 -0.357 -10.785 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.685 2.355 -7.046 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.517 3.072 -6.089 1.00 0.00 C ATOM 1629 C TRP A 97 -6.787 3.570 -6.771 1.00 0.00 C ATOM 1630 O TRP A 97 -7.871 3.544 -6.191 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.741 4.251 -5.498 1.00 0.00 C ATOM 1632 CG TRP A 97 -5.297 4.749 -4.198 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.786 5.998 -3.944 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.413 4.016 -2.973 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -6.202 6.087 -2.637 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.983 4.881 -2.020 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -5.092 2.710 -2.594 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -6.237 4.479 -0.709 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.346 2.314 -1.294 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.913 3.194 -0.365 1.00 0.00 C ATOM 0 H TRP A 97 -3.728 2.702 -7.114 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.793 2.393 -5.283 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.703 3.953 -5.348 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.737 5.069 -6.218 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.838 6.800 -4.665 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.607 6.914 -2.198 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.654 2.023 -3.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.674 5.157 0.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.102 1.307 -0.990 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -6.099 2.853 0.643 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.638 4.008 -8.015 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.765 4.501 -8.798 1.00 0.00 C ATOM 1653 C GLU A 98 -8.483 3.348 -9.493 1.00 0.00 C ATOM 1654 O GLU A 98 -9.681 3.426 -9.768 1.00 0.00 O ATOM 1655 CB GLU A 98 -7.288 5.521 -9.834 1.00 0.00 C ATOM 1656 CG GLU A 98 -8.275 6.650 -10.078 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.595 7.998 -10.212 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -6.527 8.189 -9.595 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -8.132 8.864 -10.938 1.00 0.00 O ATOM 0 H GLU A 98 -5.744 4.032 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.465 4.988 -8.119 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.339 5.944 -9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -7.097 5.007 -10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.843 6.442 -10.985 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.989 6.687 -9.256 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.741 2.281 -9.779 1.00 0.00 N ATOM 1667 CA ARG A 99 -8.302 1.112 -10.447 1.00 0.00 C ATOM 1668 C ARG A 99 -9.484 0.545 -9.664 1.00 0.00 C ATOM 1669 O ARG A 99 -10.555 0.309 -10.223 1.00 0.00 O ATOM 1670 CB ARG A 99 -7.233 0.034 -10.618 1.00 0.00 C ATOM 1671 CG ARG A 99 -6.289 0.295 -11.782 1.00 0.00 C ATOM 1672 CD ARG A 99 -6.072 -0.955 -12.620 1.00 0.00 C ATOM 1673 NE ARG A 99 -7.153 -1.164 -13.581 1.00 0.00 N ATOM 1674 CZ ARG A 99 -7.383 -0.367 -14.622 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.612 0.693 -14.839 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -8.384 -0.630 -15.451 1.00 0.00 N ATOM 0 H ARG A 99 -6.748 2.203 -9.558 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.657 1.427 -11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -6.652 -0.039 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.720 -0.930 -10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -6.695 1.088 -12.410 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -5.331 0.649 -11.401 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.124 -0.875 -13.152 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.997 -1.823 -11.964 1.00 0.00 H new ATOM 0 HE ARG A 99 -7.767 -1.967 -13.446 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -5.839 0.900 -14.206 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.793 1.300 -15.638 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -8.978 -1.443 -15.291 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -8.560 -0.019 -16.249 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.278 0.323 -8.370 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.326 -0.223 -7.514 1.00 0.00 C ATOM 1692 C CYS A 100 -11.243 0.882 -6.992 1.00 0.00 C ATOM 1693 O CYS A 100 -12.330 1.099 -7.528 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.704 -0.992 -6.346 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.689 -2.401 -6.853 1.00 0.00 S ATOM 0 H CYS A 100 -8.397 0.512 -7.892 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.929 -0.908 -8.110 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.091 -0.308 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -10.501 -1.347 -5.692 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.536 -2.342 -6.256 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.804 1.577 -5.947 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.605 2.646 -5.380 1.00 0.00 C ATOM 1703 C GLY A 101 -10.921 3.331 -4.213 1.00 0.00 C ATOM 1704 O GLY A 101 -11.572 3.710 -3.238 1.00 0.00 O ATOM 0 H GLY A 101 -9.909 1.419 -5.484 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.820 3.383 -6.154 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.562 2.242 -5.049 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.606 3.494 -4.314 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.855 4.140 -3.255 1.00 0.00 C ATOM 1710 C GLY A 102 -9.325 5.557 -2.992 1.00 0.00 C ATOM 1711 O GLY A 102 -9.748 5.883 -1.883 1.00 0.00 O ATOM 0 H GLY A 102 -9.047 3.190 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.946 3.555 -2.340 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.798 4.154 -3.520 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.249 6.399 -4.015 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.667 7.789 -3.900 1.00 0.00 C ATOM 1717 C ILE A 103 -11.085 7.902 -3.350 1.00 0.00 C ATOM 1718 O ILE A 103 -11.424 8.874 -2.677 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.596 8.498 -5.264 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.223 8.272 -5.898 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -9.886 9.985 -5.113 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -8.207 7.158 -6.920 1.00 0.00 C ATOM 0 H ILE A 103 -8.900 6.141 -4.938 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.981 8.272 -3.204 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.356 8.075 -5.920 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -7.895 9.196 -6.374 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -7.502 8.045 -5.113 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -9.831 10.467 -6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.884 10.121 -4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.151 10.433 -4.445 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.202 7.053 -7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.504 6.223 -6.444 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -8.903 7.393 -7.725 1.00 0.00 H new ATOM 1734 N GLN A 104 -11.911 6.902 -3.640 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.291 6.893 -3.170 1.00 0.00 C ATOM 1736 C GLN A 104 -13.340 6.732 -1.654 1.00 0.00 C ATOM 1737 O GLN A 104 -14.074 7.441 -0.964 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.075 5.765 -3.845 1.00 0.00 C ATOM 1739 CG GLN A 104 -15.068 6.253 -4.887 1.00 0.00 C ATOM 1740 CD GLN A 104 -14.407 7.058 -5.989 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -14.749 8.218 -6.217 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.454 6.443 -6.680 1.00 0.00 N ATOM 0 H GLN A 104 -11.649 6.089 -4.197 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.749 7.846 -3.433 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.373 5.078 -4.318 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.610 5.199 -3.083 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -15.580 5.396 -5.325 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.828 6.865 -4.401 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.203 5.480 -6.456 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.973 6.934 -7.434 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.546 5.799 -1.141 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.493 5.547 0.293 1.00 0.00 C ATOM 1753 C TYR A 105 -11.861 6.730 1.018 1.00 0.00 C ATOM 1754 O TYR A 105 -12.296 7.112 2.105 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.695 4.272 0.576 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.598 3.927 2.046 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -10.816 4.685 2.908 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -12.290 2.843 2.570 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -10.726 4.374 4.250 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -12.204 2.524 3.912 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.421 3.292 4.749 1.00 0.00 C ATOM 1762 OH TYR A 105 -11.336 2.977 6.086 1.00 0.00 O ATOM 0 H TYR A 105 -11.931 5.205 -1.697 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.511 5.416 0.660 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.158 3.439 0.047 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.689 4.387 0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.269 5.532 2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -12.905 2.240 1.919 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.114 4.975 4.906 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -12.748 1.677 4.304 1.00 0.00 H new ATOM 0 HH TYR A 105 -10.468 3.267 6.436 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.828 7.302 0.408 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.129 8.440 0.992 1.00 0.00 C ATOM 1774 C LEU A 106 -11.005 9.690 0.972 1.00 0.00 C ATOM 1775 O LEU A 106 -11.173 10.353 1.992 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.825 8.702 0.236 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.576 8.796 1.112 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -6.363 9.159 0.270 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.776 9.812 2.226 1.00 0.00 C ATOM 0 H LEU A 106 -10.457 6.996 -0.491 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.899 8.201 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.679 7.905 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.928 9.631 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.402 7.821 1.567 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.482 9.222 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.206 8.394 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.530 10.122 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.875 9.863 2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.977 10.792 1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.619 9.510 2.847 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.560 10.005 -0.195 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.417 11.176 -0.339 1.00 0.00 C ATOM 1793 C GLN A 107 -13.635 11.072 0.576 1.00 0.00 C ATOM 1794 O GLN A 107 -14.171 12.082 1.031 1.00 0.00 O ATOM 1795 CB GLN A 107 -12.856 11.341 -1.799 1.00 0.00 C ATOM 1796 CG GLN A 107 -13.826 10.273 -2.282 1.00 0.00 C ATOM 1797 CD GLN A 107 -15.242 10.508 -1.794 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -15.895 9.595 -1.287 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -15.727 11.735 -1.950 1.00 0.00 N ATOM 0 H GLN A 107 -11.432 9.467 -1.052 1.00 0.00 H new ATOM 0 HA GLN A 107 -11.845 12.056 -0.046 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.321 12.319 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -11.972 11.328 -2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.821 10.249 -3.372 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.485 9.296 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.150 12.461 -2.375 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.676 11.951 -1.644 1.00 0.00 H new ATOM 1808 N SER A 108 -14.061 9.842 0.842 1.00 0.00 N ATOM 1809 CA SER A 108 -15.213 9.597 1.706 1.00 0.00 C ATOM 1810 C SER A 108 -14.889 9.960 3.149 1.00 0.00 C ATOM 1811 O SER A 108 -15.632 10.699 3.797 1.00 0.00 O ATOM 1812 CB SER A 108 -15.640 8.129 1.619 1.00 0.00 C ATOM 1813 OG SER A 108 -16.406 7.889 0.453 1.00 0.00 O ATOM 0 H SER A 108 -13.626 8.997 0.472 1.00 0.00 H new ATOM 0 HA SER A 108 -16.035 10.226 1.365 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.757 7.490 1.616 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.222 7.864 2.501 1.00 0.00 H new ATOM 0 HG SER A 108 -15.980 8.326 -0.314 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.764 9.450 3.641 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.329 9.739 5.002 1.00 0.00 C ATOM 1821 C ALA A 109 -12.853 11.180 5.097 1.00 0.00 C ATOM 1822 O ALA A 109 -13.009 11.843 6.123 1.00 0.00 O ATOM 1823 CB ALA A 109 -12.216 8.785 5.412 1.00 0.00 C ATOM 0 H ALA A 109 -13.139 8.836 3.119 1.00 0.00 H new ATOM 0 HA ALA A 109 -14.170 9.601 5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.900 9.011 6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.580 7.759 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.370 8.901 4.735 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.282 11.652 3.998 1.00 0.00 N ATOM 1830 CA ILE A 110 -11.779 13.010 3.902 1.00 0.00 C ATOM 1831 C ILE A 110 -12.901 14.018 4.154 1.00 0.00 C ATOM 1832 O ILE A 110 -12.747 14.951 4.944 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.150 13.246 2.510 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -9.698 12.769 2.497 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.224 14.705 2.107 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.055 12.830 1.129 1.00 0.00 C ATOM 0 H ILE A 110 -12.156 11.102 3.148 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.013 13.151 4.664 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.723 12.669 1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.118 13.378 3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.658 11.743 2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -10.773 14.834 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -12.267 15.020 2.072 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -10.686 15.311 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.026 12.477 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.612 12.198 0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.063 13.859 0.769 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.030 13.817 3.482 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.178 14.702 3.637 1.00 0.00 C ATOM 1850 C GLU A 111 -15.816 14.517 5.010 1.00 0.00 C ATOM 1851 O GLU A 111 -16.291 15.474 5.620 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.210 14.432 2.541 1.00 0.00 C ATOM 1853 CG GLU A 111 -15.717 14.769 1.143 1.00 0.00 C ATOM 1854 CD GLU A 111 -16.624 15.748 0.424 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -17.296 16.549 1.108 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -16.663 15.716 -0.824 1.00 0.00 O ATOM 0 H GLU A 111 -14.174 13.050 2.826 1.00 0.00 H new ATOM 0 HA GLU A 111 -14.830 15.731 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.495 13.380 2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.109 15.012 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.713 15.190 1.207 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.642 13.853 0.558 1.00 0.00 H new ATOM 1863 N SER A 112 -15.814 13.278 5.491 1.00 0.00 N ATOM 1864 CA SER A 112 -16.385 12.963 6.794 1.00 0.00 C ATOM 1865 C SER A 112 -15.510 13.507 7.923 1.00 0.00 C ATOM 1866 O SER A 112 -15.948 13.593 9.070 1.00 0.00 O ATOM 1867 CB SER A 112 -16.552 11.450 6.948 1.00 0.00 C ATOM 1868 OG SER A 112 -17.747 11.136 7.645 1.00 0.00 O ATOM 0 H SER A 112 -15.423 12.476 4.997 1.00 0.00 H new ATOM 0 HA SER A 112 -17.363 13.440 6.857 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.567 10.981 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.696 11.039 7.484 1.00 0.00 H new ATOM 0 HG SER A 112 -17.831 10.163 7.729 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.271 13.870 7.589 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.332 14.405 8.572 1.00 0.00 C ATOM 1876 C ARG A 113 -12.794 13.296 9.469 1.00 0.00 C ATOM 1877 O ARG A 113 -12.553 13.506 10.658 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.992 15.495 9.422 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.792 16.502 8.609 1.00 0.00 C ATOM 1880 CD ARG A 113 -13.888 17.545 7.971 1.00 0.00 C ATOM 1881 NE ARG A 113 -13.674 18.693 8.848 1.00 0.00 N ATOM 1882 CZ ARG A 113 -13.024 19.796 8.479 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -12.524 19.903 7.254 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -12.874 20.794 9.338 1.00 0.00 N ATOM 0 H ARG A 113 -13.895 13.803 6.643 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.498 14.847 8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.651 15.025 10.152 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.221 16.024 9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -15.353 15.981 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -15.520 16.995 9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.927 17.092 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.329 17.882 7.033 1.00 0.00 H new ATOM 0 HE ARG A 113 -14.043 18.648 9.798 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.636 19.138 6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -12.028 20.750 6.978 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -13.256 20.717 10.281 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -12.377 21.639 9.056 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.608 12.117 8.888 1.00 0.00 N ATOM 1899 CA GLN A 114 -12.094 10.970 9.629 1.00 0.00 C ATOM 1900 C GLN A 114 -10.664 10.647 9.204 1.00 0.00 C ATOM 1901 O GLN A 114 -9.884 10.096 9.980 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.992 9.751 9.409 1.00 0.00 C ATOM 1903 CG GLN A 114 -14.143 9.659 10.399 1.00 0.00 C ATOM 1904 CD GLN A 114 -15.454 9.285 9.735 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -15.504 8.382 8.899 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -16.524 9.978 10.106 1.00 0.00 N ATOM 0 H GLN A 114 -12.805 11.929 7.905 1.00 0.00 H new ATOM 0 HA GLN A 114 -12.091 11.223 10.689 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -13.395 9.785 8.397 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -12.388 8.847 9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -13.903 8.919 11.163 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.258 10.616 10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -16.436 10.718 10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -17.434 9.770 9.695 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.328 10.993 7.963 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.993 10.742 7.433 1.00 0.00 C ATOM 1917 C ALA A 115 -7.925 11.420 8.287 1.00 0.00 C ATOM 1918 O ALA A 115 -8.218 11.956 9.355 1.00 0.00 O ATOM 1919 CB ALA A 115 -8.902 11.221 5.993 1.00 0.00 C ATOM 0 H ALA A 115 -10.963 11.448 7.307 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.813 9.667 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.901 11.028 5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.633 10.688 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.107 12.291 5.952 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.687 11.394 7.806 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.575 12.007 8.523 1.00 0.00 C ATOM 1927 C ARG A 116 -4.774 12.927 7.603 1.00 0.00 C ATOM 1928 O ARG A 116 -3.867 12.477 6.903 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.657 10.929 9.101 1.00 0.00 C ATOM 1930 CG ARG A 116 -3.743 11.435 10.206 1.00 0.00 C ATOM 1931 CD ARG A 116 -3.075 10.290 10.946 1.00 0.00 C ATOM 1932 NE ARG A 116 -1.640 10.509 11.115 1.00 0.00 N ATOM 1933 CZ ARG A 116 -0.775 9.549 11.436 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -1.195 8.306 11.628 1.00 0.00 N ATOM 1935 NH2 ARG A 116 0.513 9.835 11.567 1.00 0.00 N ATOM 0 H ARG A 116 -6.428 10.955 6.922 1.00 0.00 H new ATOM 0 HA ARG A 116 -5.987 12.602 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -5.268 10.115 9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -4.047 10.514 8.298 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -2.981 12.087 9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -4.319 12.036 10.909 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.541 10.170 11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.238 9.361 10.399 1.00 0.00 H new ATOM 0 HE ARG A 116 -1.280 11.453 10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -2.185 8.081 11.530 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -0.528 7.575 11.874 1.00 0.00 H new ATOM 0 HH21 ARG A 116 0.841 10.790 11.422 1.00 0.00 H new ATOM 0 HH22 ARG A 116 1.176 9.100 11.813 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.100 14.231 7.591 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.403 15.211 6.750 1.00 0.00 C ATOM 1951 C PRO A 117 -2.887 15.131 6.902 1.00 0.00 C ATOM 1952 O PRO A 117 -2.301 15.808 7.747 1.00 0.00 O ATOM 1953 CB PRO A 117 -4.923 16.554 7.268 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.267 16.245 7.828 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.170 14.854 8.394 1.00 0.00 C ATOM 0 HA PRO A 117 -4.591 15.046 5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.262 16.968 8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -4.987 17.290 6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.542 16.963 8.601 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.034 16.299 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.919 14.869 9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.112 14.314 8.296 1.00 0.00 H new ATOM 1963 N THR A 118 -2.259 14.296 6.079 1.00 0.00 N ATOM 1964 CA THR A 118 -0.812 14.125 6.122 1.00 0.00 C ATOM 1965 C THR A 118 -0.205 14.280 4.732 1.00 0.00 C ATOM 1966 O THR A 118 0.731 15.056 4.535 1.00 0.00 O ATOM 1967 CB THR A 118 -0.456 12.754 6.696 1.00 0.00 C ATOM 1968 OG1 THR A 118 -1.307 11.752 6.166 1.00 0.00 O ATOM 1969 CG2 THR A 118 -0.557 12.690 8.205 1.00 0.00 C ATOM 0 H THR A 118 -2.730 13.728 5.375 1.00 0.00 H new ATOM 0 HA THR A 118 -0.399 14.900 6.768 1.00 0.00 H new ATOM 0 HB THR A 118 0.582 12.583 6.411 1.00 0.00 H new ATOM 0 HG1 THR A 118 -2.214 11.874 6.516 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.291 11.689 8.545 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.125 13.417 8.646 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.578 12.918 8.511 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.743 13.540 3.769 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.253 13.599 2.397 1.00 0.00 C ATOM 1979 C TYR A 119 -1.236 12.947 1.430 1.00 0.00 C ATOM 1980 O TYR A 119 -1.673 13.568 0.462 1.00 0.00 O ATOM 1981 CB TYR A 119 1.110 12.913 2.289 1.00 0.00 C ATOM 1982 CG TYR A 119 1.758 13.075 0.933 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.268 12.399 -0.177 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.859 13.905 0.764 1.00 0.00 C ATOM 1985 CE1 TYR A 119 1.856 12.546 -1.418 1.00 0.00 C ATOM 1986 CE2 TYR A 119 3.451 14.058 -0.475 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.947 13.376 -1.563 1.00 0.00 C ATOM 1988 OH TYR A 119 3.534 13.528 -2.797 1.00 0.00 O ATOM 0 H TYR A 119 -1.518 12.893 3.913 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.150 14.650 2.126 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.774 13.319 3.052 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.992 11.851 2.502 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.413 11.748 -0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 119 3.258 14.439 1.614 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.463 12.013 -2.271 1.00 0.00 H new ATOM 0 HE2 TYR A 119 4.305 14.709 -0.591 1.00 0.00 H new ATOM 0 HH TYR A 119 4.290 14.148 -2.726 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.577 11.689 1.697 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.506 10.952 0.846 1.00 0.00 C ATOM 2000 C ALA A 120 -3.814 11.715 0.664 1.00 0.00 C ATOM 2001 O ALA A 120 -4.355 11.782 -0.440 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.774 9.573 1.422 1.00 0.00 C ATOM 0 H ALA A 120 -1.225 11.160 2.495 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.044 10.839 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.469 9.037 0.775 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.838 9.018 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.208 9.672 2.417 1.00 0.00 H new ATOM 2008 N THR A 121 -4.318 12.288 1.749 1.00 0.00 N ATOM 2009 CA THR A 121 -5.563 13.046 1.699 1.00 0.00 C ATOM 2010 C THR A 121 -5.391 14.310 0.863 1.00 0.00 C ATOM 2011 O THR A 121 -6.286 14.694 0.110 1.00 0.00 O ATOM 2012 CB THR A 121 -6.025 13.410 3.111 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.939 13.876 3.892 1.00 0.00 O ATOM 2014 CG2 THR A 121 -6.664 12.250 3.847 1.00 0.00 C ATOM 0 H THR A 121 -3.886 12.243 2.672 1.00 0.00 H new ATOM 0 HA THR A 121 -6.323 12.420 1.231 1.00 0.00 H new ATOM 0 HB THR A 121 -6.774 14.191 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 121 -4.736 14.803 3.649 1.00 0.00 H new ATOM 0 HG21 THR A 121 -6.969 12.574 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.537 11.905 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.945 11.435 3.936 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.232 14.947 0.994 1.00 0.00 N ATOM 2023 CA ALA A 122 -3.941 16.165 0.245 1.00 0.00 C ATOM 2024 C ALA A 122 -3.812 15.864 -1.243 1.00 0.00 C ATOM 2025 O ALA A 122 -4.545 16.412 -2.071 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.671 16.815 0.769 1.00 0.00 C ATOM 0 H ALA A 122 -3.480 14.641 1.611 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.770 16.860 0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.466 17.723 0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.799 17.067 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -1.836 16.123 0.660 1.00 0.00 H new ATOM 2032 N MET A 123 -2.878 14.979 -1.575 1.00 0.00 N ATOM 2033 CA MET A 123 -2.653 14.590 -2.960 1.00 0.00 C ATOM 2034 C MET A 123 -3.958 14.134 -3.603 1.00 0.00 C ATOM 2035 O MET A 123 -4.154 14.297 -4.807 1.00 0.00 O ATOM 2036 CB MET A 123 -1.587 13.494 -3.043 1.00 0.00 C ATOM 2037 CG MET A 123 -1.802 12.353 -2.064 1.00 0.00 C ATOM 2038 SD MET A 123 -2.127 10.783 -2.884 1.00 0.00 S ATOM 2039 CE MET A 123 -3.338 11.287 -4.103 1.00 0.00 C ATOM 0 H MET A 123 -2.265 14.518 -0.903 1.00 0.00 H new ATOM 0 HA MET A 123 -2.289 15.457 -3.511 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.570 13.092 -4.056 1.00 0.00 H new ATOM 0 HB3 MET A 123 -0.608 13.938 -2.860 1.00 0.00 H new ATOM 0 HG2 MET A 123 -0.920 12.252 -1.432 1.00 0.00 H new ATOM 0 HG3 MET A 123 -2.638 12.595 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 123 -3.496 10.477 -4.816 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.279 11.521 -3.606 1.00 0.00 H new ATOM 0 HE3 MET A 123 -2.977 12.170 -4.631 1.00 0.00 H new ATOM 2049 N LEU A 124 -4.856 13.585 -2.789 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.150 13.131 -3.283 1.00 0.00 C ATOM 2051 C LEU A 124 -6.975 14.322 -3.748 1.00 0.00 C ATOM 2052 O LEU A 124 -7.465 14.353 -4.880 1.00 0.00 O ATOM 2053 CB LEU A 124 -6.905 12.368 -2.195 1.00 0.00 C ATOM 2054 CG LEU A 124 -7.856 11.285 -2.707 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.227 9.906 -2.562 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.185 11.353 -1.970 1.00 0.00 C ATOM 0 H LEU A 124 -4.711 13.445 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.982 12.459 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.179 11.906 -1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -7.477 13.082 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 124 -8.043 11.462 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.919 9.150 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.303 9.865 -3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.008 9.715 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -9.850 10.576 -2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.018 11.202 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -9.641 12.330 -2.131 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.112 15.309 -2.869 1.00 0.00 N ATOM 2069 CA GLN A 125 -7.864 16.517 -3.186 1.00 0.00 C ATOM 2070 C GLN A 125 -7.402 17.083 -4.523 1.00 0.00 C ATOM 2071 O GLN A 125 -8.203 17.583 -5.311 1.00 0.00 O ATOM 2072 CB GLN A 125 -7.688 17.564 -2.085 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.175 17.101 -0.721 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.675 17.257 -0.555 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.156 18.290 -0.087 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.422 16.229 -0.939 1.00 0.00 N ATOM 0 H GLN A 125 -6.712 15.296 -1.931 1.00 0.00 H new ATOM 0 HA GLN A 125 -8.921 16.260 -3.254 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.633 17.830 -2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.227 18.469 -2.366 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.904 16.055 -0.578 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.666 17.671 0.056 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.981 15.393 -1.321 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.437 16.276 -0.852 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.100 16.981 -4.772 1.00 0.00 N ATOM 2086 CA ASN A 126 -5.525 17.463 -6.019 1.00 0.00 C ATOM 2087 C ASN A 126 -5.731 16.438 -7.124 1.00 0.00 C ATOM 2088 O ASN A 126 -5.938 16.791 -8.284 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.035 17.761 -5.844 1.00 0.00 C ATOM 2090 CG ASN A 126 -3.785 18.974 -4.971 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -4.704 19.735 -4.667 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -2.535 19.160 -4.561 1.00 0.00 N ATOM 0 H ASN A 126 -5.426 16.569 -4.127 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.031 18.387 -6.298 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -3.543 16.893 -5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -3.582 17.922 -6.822 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.306 19.959 -3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -1.805 18.504 -4.837 1.00 0.00 H new ATOM 2099 N LEU A 127 -5.690 15.162 -6.750 1.00 0.00 N ATOM 2100 CA LEU A 127 -5.892 14.083 -7.707 1.00 0.00 C ATOM 2101 C LEU A 127 -7.280 14.181 -8.334 1.00 0.00 C ATOM 2102 O LEU A 127 -7.536 13.602 -9.390 1.00 0.00 O ATOM 2103 CB LEU A 127 -5.725 12.725 -7.021 1.00 0.00 C ATOM 2104 CG LEU A 127 -5.047 11.648 -7.870 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -3.546 11.643 -7.624 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -5.643 10.280 -7.570 1.00 0.00 C ATOM 0 H LEU A 127 -5.519 14.852 -5.793 1.00 0.00 H new ATOM 0 HA LEU A 127 -5.143 14.176 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -5.145 12.865 -6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -6.709 12.363 -6.721 1.00 0.00 H new ATOM 0 HG LEU A 127 -5.222 11.876 -8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -3.080 10.871 -8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -3.131 12.616 -7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -3.351 11.439 -6.571 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -5.149 9.526 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -5.498 10.043 -6.516 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.709 10.290 -7.796 1.00 0.00 H new ATOM 2118 N LEU A 128 -8.174 14.917 -7.675 1.00 0.00 N ATOM 2119 CA LEU A 128 -9.535 15.089 -8.171 1.00 0.00 C ATOM 2120 C LEU A 128 -9.612 16.252 -9.156 1.00 0.00 C ATOM 2121 O LEU A 128 -10.433 16.247 -10.073 1.00 0.00 O ATOM 2122 CB LEU A 128 -10.495 15.329 -7.004 1.00 0.00 C ATOM 2123 CG LEU A 128 -10.529 14.218 -5.954 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -11.096 14.738 -4.643 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -11.342 13.033 -6.458 1.00 0.00 C ATOM 0 H LEU A 128 -7.979 15.402 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.826 14.177 -8.692 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -10.220 16.263 -6.514 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.501 15.462 -7.402 1.00 0.00 H new ATOM 0 HG LEU A 128 -9.508 13.882 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -11.112 13.933 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -10.473 15.553 -4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -12.111 15.102 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -11.356 12.252 -5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -12.362 13.354 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.891 12.644 -7.371 1.00 0.00 H new ATOM 2137 N LYS A 129 -8.751 17.245 -8.961 1.00 0.00 N ATOM 2138 CA LYS A 129 -8.722 18.414 -9.832 1.00 0.00 C ATOM 2139 C LYS A 129 -8.448 18.008 -11.277 1.00 0.00 C ATOM 2140 O LYS A 129 -8.591 18.871 -12.171 1.00 0.00 O ATOM 2141 CB LYS A 129 -7.655 19.404 -9.357 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.203 20.503 -8.460 1.00 0.00 C ATOM 2143 CD LYS A 129 -8.146 20.109 -6.991 1.00 0.00 C ATOM 2144 CE LYS A 129 -7.207 21.011 -6.207 1.00 0.00 C ATOM 2145 NZ LYS A 129 -7.322 20.789 -4.739 1.00 0.00 N ATOM 2146 OXT LYS A 129 -8.093 16.833 -11.504 1.00 0.00 O ATOM 0 H LYS A 129 -8.064 17.264 -8.207 1.00 0.00 H new ATOM 0 HA LYS A 129 -9.699 18.895 -9.787 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -6.880 18.859 -8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -7.180 19.859 -10.226 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -7.631 21.418 -8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -9.234 20.721 -8.739 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -9.146 20.161 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -7.815 19.074 -6.904 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.180 20.828 -6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.430 22.053 -6.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.496 21.697 -4.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -8.112 20.140 -4.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.438 20.374 -4.380 1.00 0.00 H new TER 2160 LYS A 129