USER MOD reduce.3.24.130724 H: found=0, std=0, add=1096, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1086 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 157 THR OG1 : rot 150:sc= 0.0224 USER MOD Set 1.2: A 159 ASN : amide:sc= -0.13 K(o=-0.11,f=-0.67) USER MOD Set 2.1: A 100 THR OG1 : rot 150:sc= -0.112 USER MOD Set 2.2: A 146 HIS : no HE2:sc= 0.465 K(o=0.35,f=-1.6!) USER MOD Set 3.1: A 97 TYR OH : rot -90:sc= 0.83 USER MOD Set 3.2: A 134 HIS :FLIP no HE2:sc= 0.634 F(o=-0.33,f=1.5) USER MOD Set 4.1: A 83 THR OG1 : rot -47:sc= 0.0367 USER MOD Set 4.2: A 133 SER OG : rot 31:sc= 1.3 USER MOD Set 5.1: A 81 THR OG1 : rot -79:sc= 1.19 USER MOD Set 5.2: A 135 HIS : no HD1:sc= 0.938 K(o=2.1,f=-1.3) USER MOD Set 6.1: A 76 THR OG1 : rot 78:sc= 0.0532 USER MOD Set 6.2: A 80 HIS : no HD1:sc= 0.891 K(o=0.94,f=-2.9!) USER MOD Set 7.1: A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 7.2: A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -151:sc= 0.432 (180deg=0.00941) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.269 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.479 K(o=0.48,f=-6.5!) USER MOD Single : A 34 SER OG : rot -29:sc= 0.111 USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00662) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0463 K(o=-0.046,f=-1.3) USER MOD Single : A 66 SER OG : rot -81:sc= 1.29 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc=-0.00109 USER MOD Single : A 86 TYR OH : rot -118:sc= 0.138 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -0.0485 K(o=-0.048,f=-1.4) USER MOD Single : A 91 ASN : amide:sc= -0.356 K(o=-0.36,f=-3.4!) USER MOD Single : A 92 THR OG1 : rot -91:sc= 0.642 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 96 HIS : no HD1:sc= 0.953 K(o=0.95,f=-3.6!) USER MOD Single : A 98 TYR OH : rot 180:sc=-0.00908 USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= 1.14 (180deg=0.915) USER MOD Single : A 102 LYS NZ :NH3+ -151:sc= 0.0087 (180deg=-0.559) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= 0.187 K(o=0.19,f=-1.9!) USER MOD Single : A 126 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 129 SER OG : rot -162:sc= 0.373 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 137 TYR OH : rot 180:sc=-0.00613 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 171 ASN : amide:sc= -0.0679 K(o=-0.068,f=-0.92) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -0.288 1.475 -0.064 1.00 25.00 N ATOM 2 CA HIS A 1 0.934 1.249 -0.887 1.00 25.00 C ATOM 3 C HIS A 1 0.621 1.567 -2.355 1.00 25.00 C ATOM 4 O HIS A 1 -0.214 0.853 -2.940 1.00 25.00 O ATOM 5 CB HIS A 1 1.473 -0.176 -0.878 1.00 0.00 C ATOM 6 CG HIS A 1 1.830 -0.678 0.483 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.917 -1.262 1.321 1.00 0.00 N ATOM 8 CD2 HIS A 1 3.003 -0.610 1.172 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.586 -1.506 2.469 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.842 -0.991 2.465 1.00 0.00 N ATOM 0 H1 HIS A 1 -0.011 1.746 0.901 1.00 25.00 H new ATOM 0 H2 HIS A 1 -0.856 2.236 -0.488 1.00 25.00 H new ATOM 0 H3 HIS A 1 -0.851 0.601 -0.031 1.00 25.00 H new ATOM 0 HA HIS A 1 1.687 1.897 -0.439 1.00 25.00 H new ATOM 0 HB2 HIS A 1 0.727 -0.839 -1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 1 2.356 -0.225 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 1 3.942 -0.293 0.744 1.00 0.00 H new ATOM 0 HE1 HIS A 1 1.167 -2.052 3.301 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.500 -0.910 3.240 1.00 0.00 H new ATOM 17 N GLY A 2 1.068 2.693 -2.840 1.00 25.00 N ATOM 18 CA GLY A 2 0.785 3.167 -4.218 1.00 25.00 C ATOM 19 C GLY A 2 1.643 4.257 -4.862 1.00 25.00 C ATOM 20 O GLY A 2 2.455 4.939 -4.181 1.00 25.00 O ATOM 0 H GLY A 2 1.650 3.335 -2.302 1.00 25.00 H new ATOM 0 HA2 GLY A 2 0.830 2.296 -4.872 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -0.246 3.522 -4.229 1.00 25.00 H new ATOM 24 N PHE A 3 1.412 4.445 -6.153 1.00 25.00 N ATOM 25 CA PHE A 3 2.328 5.193 -6.997 1.00 25.00 C ATOM 26 C PHE A 3 1.679 6.186 -7.973 1.00 25.00 C ATOM 27 O PHE A 3 0.547 5.908 -8.389 1.00 25.00 O ATOM 28 CB PHE A 3 3.055 4.149 -7.853 1.00 25.00 C ATOM 29 CG PHE A 3 3.804 3.093 -7.040 1.00 25.00 C ATOM 30 CD1 PHE A 3 5.019 3.383 -6.431 1.00 50.00 C ATOM 31 CD2 PHE A 3 3.174 1.857 -6.827 1.00 50.00 C ATOM 32 CE1 PHE A 3 5.715 2.339 -5.663 1.00 25.00 C ATOM 33 CE2 PHE A 3 3.813 0.854 -6.056 1.00 25.00 C ATOM 34 CZ PHE A 3 5.067 1.061 -5.548 1.00 25.00 C ATOM 0 H PHE A 3 0.591 4.086 -6.641 1.00 25.00 H new ATOM 0 HA PHE A 3 2.955 5.788 -6.333 1.00 25.00 H new ATOM 0 HB2 PHE A 3 2.329 3.651 -8.495 1.00 25.00 H new ATOM 0 HB3 PHE A 3 3.762 4.659 -8.507 1.00 25.00 H new ATOM 0 HD1 PHE A 3 5.450 4.369 -6.521 1.00 50.00 H new ATOM 0 HD2 PHE A 3 2.199 1.670 -7.252 1.00 50.00 H new ATOM 0 HE1 PHE A 3 6.675 2.525 -5.204 1.00 25.00 H new ATOM 0 HE2 PHE A 3 3.306 -0.081 -5.868 1.00 25.00 H new ATOM 0 HZ PHE A 3 5.579 0.250 -5.052 1.00 25.00 H new ATOM 44 N ILE A 4 2.362 7.266 -8.350 1.00 25.00 N ATOM 45 CA ILE A 4 1.831 8.189 -9.326 1.00 25.00 C ATOM 46 C ILE A 4 1.936 7.355 -10.613 1.00 25.00 C ATOM 47 O ILE A 4 2.985 6.710 -10.865 1.00 25.00 O ATOM 48 CB ILE A 4 2.710 9.483 -9.446 1.00 25.00 C ATOM 49 CG1 ILE A 4 2.870 10.183 -8.078 1.00 25.00 C ATOM 50 CG2 ILE A 4 2.253 10.439 -10.602 1.00 25.00 C ATOM 51 CD1 ILE A 4 3.752 11.449 -8.045 1.00 25.00 C ATOM 0 H ILE A 4 3.283 7.515 -7.989 1.00 25.00 H new ATOM 0 HA ILE A 4 0.830 8.548 -9.087 1.00 25.00 H new ATOM 0 HB ILE A 4 3.709 9.165 -9.746 1.00 25.00 H new ATOM 0 HG12 ILE A 4 1.878 10.450 -7.715 1.00 25.00 H new ATOM 0 HG13 ILE A 4 3.284 9.462 -7.373 1.00 25.00 H new ATOM 0 HG21 ILE A 4 2.903 11.314 -10.629 1.00 25.00 H new ATOM 0 HG22 ILE A 4 2.313 9.913 -11.555 1.00 25.00 H new ATOM 0 HG23 ILE A 4 1.225 10.756 -10.427 1.00 25.00 H new ATOM 0 HD11 ILE A 4 3.783 11.844 -7.030 1.00 25.00 H new ATOM 0 HD12 ILE A 4 4.762 11.197 -8.368 1.00 25.00 H new ATOM 0 HD13 ILE A 4 3.334 12.201 -8.714 1.00 25.00 H new ATOM 63 N GLU A 5 0.884 7.442 -11.473 1.00 25.00 N ATOM 64 CA GLU A 5 0.870 6.799 -12.771 1.00 25.00 C ATOM 65 C GLU A 5 0.905 7.787 -13.944 1.00 25.00 C ATOM 66 O GLU A 5 1.513 7.472 -14.953 1.00 25.00 O ATOM 67 CB GLU A 5 -0.381 5.940 -13.002 1.00 25.00 C ATOM 68 CG GLU A 5 -0.233 4.561 -12.245 1.00 25.00 C ATOM 69 CD GLU A 5 0.355 3.486 -13.141 1.00 25.00 C ATOM 70 OE1 GLU A 5 1.558 3.159 -12.976 1.00 25.00 O ATOM 71 OE2 GLU A 5 -0.347 2.962 -14.020 1.00 25.00 O1- ATOM 0 H GLU A 5 0.033 7.965 -11.264 1.00 25.00 H new ATOM 0 HA GLU A 5 1.773 6.189 -12.749 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -1.266 6.467 -12.646 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -0.522 5.766 -14.069 1.00 25.00 H new ATOM 0 HG2 GLU A 5 0.404 4.693 -11.370 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -1.209 4.239 -11.883 1.00 25.00 H new ATOM 78 N LYS A 6 0.396 9.038 -13.827 1.00 25.00 N ATOM 79 CA LYS A 6 0.477 10.135 -14.841 1.00 25.00 C ATOM 80 C LYS A 6 0.443 11.424 -14.018 1.00 25.00 C ATOM 81 O LYS A 6 -0.271 11.465 -12.978 1.00 25.00 O ATOM 82 CB LYS A 6 -0.719 10.051 -15.822 1.00 25.00 C ATOM 83 CG LYS A 6 -0.943 8.724 -16.563 1.00 25.00 C ATOM 84 CD LYS A 6 -2.103 8.915 -17.501 1.00 25.00 C ATOM 85 CE LYS A 6 -2.460 7.623 -18.191 1.00 25.00 C ATOM 86 NZ LYS A 6 -3.636 8.059 -19.060 1.00 25.00 N1+ ATOM 0 H LYS A 6 -0.106 9.330 -12.988 1.00 25.00 H new ATOM 0 HA LYS A 6 1.374 10.077 -15.457 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.627 10.281 -15.264 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -0.596 10.835 -16.569 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -0.048 8.438 -17.115 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -1.151 7.921 -15.856 1.00 25.00 H new ATOM 0 HD2 LYS A 6 -2.966 9.286 -16.947 1.00 25.00 H new ATOM 0 HD3 LYS A 6 -1.853 9.671 -18.245 1.00 25.00 H new ATOM 0 HE2 LYS A 6 -1.633 7.233 -18.785 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -2.740 6.843 -17.483 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 -3.988 7.244 -19.603 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 -4.398 8.426 -18.455 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 -3.325 8.804 -19.716 1.00 25.00 H new ATOM 100 N PRO A 7 1.214 12.449 -14.363 1.00 25.00 N ATOM 101 CA PRO A 7 2.253 12.489 -15.443 1.00 25.00 C ATOM 102 C PRO A 7 3.519 11.675 -15.140 1.00 25.00 C ATOM 103 O PRO A 7 3.968 11.633 -13.975 1.00 25.00 O ATOM 104 CB PRO A 7 2.596 14.006 -15.470 1.00 25.00 C ATOM 105 CG PRO A 7 2.359 14.474 -14.193 1.00 25.00 C ATOM 106 CD PRO A 7 1.255 13.684 -13.549 1.00 25.00 C ATOM 0 HA PRO A 7 1.889 12.056 -16.375 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.635 14.166 -15.757 1.00 25.00 H new ATOM 0 HB3 PRO A 7 1.980 14.532 -16.199 1.00 25.00 H new ATOM 0 HG2 PRO A 7 3.267 14.398 -13.595 1.00 25.00 H new ATOM 0 HG3 PRO A 7 2.088 15.529 -14.229 1.00 25.00 H new ATOM 0 HD2 PRO A 7 1.469 13.471 -12.502 1.00 25.00 H new ATOM 0 HD3 PRO A 7 0.306 14.219 -13.578 1.00 25.00 H new ATOM 114 N GLY A 8 4.121 11.119 -16.187 1.00 25.00 N ATOM 115 CA GLY A 8 5.477 10.648 -16.225 1.00 25.00 C ATOM 116 C GLY A 8 5.747 9.205 -15.794 1.00 25.00 C ATOM 117 O GLY A 8 4.898 8.514 -15.236 1.00 25.00 O ATOM 0 H GLY A 8 3.638 10.983 -17.075 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.843 10.766 -17.245 1.00 25.00 H new ATOM 0 HA3 GLY A 8 6.076 11.303 -15.593 1.00 25.00 H new ATOM 121 N SER A 9 6.989 8.755 -15.949 1.00 25.00 N ATOM 122 CA SER A 9 7.526 7.474 -15.452 1.00 25.00 C ATOM 123 C SER A 9 8.860 7.771 -14.740 1.00 25.00 C ATOM 124 O SER A 9 9.717 8.400 -15.358 1.00 25.00 O ATOM 125 CB SER A 9 7.806 6.430 -16.558 1.00 25.00 C ATOM 126 OG SER A 9 8.526 5.311 -16.059 1.00 25.00 O ATOM 0 H SER A 9 7.693 9.297 -16.451 1.00 25.00 H new ATOM 0 HA SER A 9 6.768 7.045 -14.797 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.862 6.093 -16.987 1.00 25.00 H new ATOM 0 HB3 SER A 9 8.373 6.897 -17.363 1.00 25.00 H new ATOM 0 HG SER A 9 8.683 4.672 -16.786 1.00 25.00 H new ATOM 132 N ARG A 10 9.143 7.101 -13.639 1.00 25.00 N ATOM 133 CA ARG A 10 10.473 7.095 -13.024 1.00 25.00 C ATOM 134 C ARG A 10 11.591 6.603 -13.917 1.00 25.00 C ATOM 135 O ARG A 10 12.697 7.124 -13.791 1.00 25.00 O ATOM 136 CB ARG A 10 10.516 6.404 -11.687 1.00 25.00 C ATOM 137 CG ARG A 10 10.455 4.813 -11.773 1.00 25.00 C ATOM 138 CD ARG A 10 10.103 4.070 -10.436 1.00 25.00 C ATOM 139 NE ARG A 10 10.425 2.640 -10.689 1.00 25.00 N ATOM 140 CZ ARG A 10 10.936 1.767 -9.829 1.00 25.00 C ATOM 141 NH1 ARG A 10 11.486 1.956 -8.648 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 10.980 0.514 -10.204 1.00 25.00 N ATOM 0 H ARG A 10 8.457 6.539 -13.136 1.00 25.00 H new ATOM 0 HA ARG A 10 10.664 8.155 -12.858 1.00 25.00 H new ATOM 0 HB2 ARG A 10 11.430 6.694 -11.170 1.00 25.00 H new ATOM 0 HB3 ARG A 10 9.681 6.756 -11.081 1.00 25.00 H new ATOM 0 HG2 ARG A 10 9.716 4.537 -12.526 1.00 25.00 H new ATOM 0 HG3 ARG A 10 11.420 4.450 -12.125 1.00 25.00 H new ATOM 0 HD2 ARG A 10 10.684 4.463 -9.602 1.00 25.00 H new ATOM 0 HD3 ARG A 10 9.051 4.198 -10.180 1.00 25.00 H new ATOM 0 HE ARG A 10 10.232 2.291 -11.628 1.00 25.00 H new ATOM 0 HH11 ARG A 10 11.567 2.899 -8.268 1.00 25.00 H new ATOM 0 HH12 ARG A 10 11.832 1.159 -8.113 1.00 25.00 H new ATOM 0 HH21 ARG A 10 10.630 0.244 -11.123 1.00 25.00 H new ATOM 0 HH22 ARG A 10 11.364 -0.193 -9.577 1.00 25.00 H new ATOM 156 N ALA A 11 11.269 5.703 -14.792 1.00 25.00 N ATOM 157 CA ALA A 11 12.282 5.105 -15.630 1.00 25.00 C ATOM 158 C ALA A 11 12.801 6.066 -16.669 1.00 25.00 C ATOM 159 O ALA A 11 13.959 5.998 -17.104 1.00 25.00 O ATOM 160 CB ALA A 11 11.699 3.819 -16.280 1.00 25.00 C ATOM 0 H ALA A 11 10.321 5.362 -14.951 1.00 25.00 H new ATOM 0 HA ALA A 11 13.140 4.842 -15.012 1.00 25.00 H new ATOM 0 HB1 ALA A 11 12.455 3.358 -16.916 1.00 25.00 H new ATOM 0 HB2 ALA A 11 11.405 3.118 -15.499 1.00 25.00 H new ATOM 0 HB3 ALA A 11 10.828 4.078 -16.882 1.00 25.00 H new ATOM 166 N ALA A 12 11.923 6.920 -17.174 1.00 25.00 N ATOM 167 CA ALA A 12 12.277 7.892 -18.183 1.00 25.00 C ATOM 168 C ALA A 12 13.250 8.882 -17.624 1.00 25.00 C ATOM 169 O ALA A 12 14.288 9.153 -18.273 1.00 25.00 O ATOM 170 CB ALA A 12 11.113 8.481 -18.743 1.00 25.00 C ATOM 0 H ALA A 12 10.944 6.954 -16.891 1.00 25.00 H new ATOM 0 HA ALA A 12 12.784 7.398 -19.012 1.00 25.00 H new ATOM 0 HB1 ALA A 12 11.402 9.210 -19.500 1.00 25.00 H new ATOM 0 HB2 ALA A 12 10.498 7.707 -19.201 1.00 25.00 H new ATOM 0 HB3 ALA A 12 10.544 8.980 -17.958 1.00 25.00 H new ATOM 176 N LEU A 13 13.061 9.334 -16.378 1.00 25.00 N ATOM 177 CA LEU A 13 13.920 10.353 -15.808 1.00 25.00 C ATOM 178 C LEU A 13 15.193 9.671 -15.279 1.00 25.00 C ATOM 179 O LEU A 13 16.222 10.340 -15.067 1.00 25.00 O ATOM 180 CB LEU A 13 13.282 11.046 -14.606 1.00 25.00 C ATOM 181 CG LEU A 13 12.167 12.149 -14.674 1.00 25.00 C ATOM 182 CD1 LEU A 13 10.950 11.876 -15.596 1.00 75.00 C ATOM 183 CD2 LEU A 13 11.709 12.716 -13.342 1.00 75.00 C ATOM 0 H LEU A 13 12.322 9.006 -15.756 1.00 25.00 H new ATOM 0 HA LEU A 13 14.114 11.087 -16.590 1.00 25.00 H new ATOM 0 HB2 LEU A 13 12.872 10.248 -13.987 1.00 25.00 H new ATOM 0 HB3 LEU A 13 14.106 11.491 -14.049 1.00 25.00 H new ATOM 0 HG LEU A 13 12.745 12.925 -15.175 1.00 25.00 H new ATOM 0 HD11 LEU A 13 10.260 12.718 -15.546 1.00 75.00 H new ATOM 0 HD12 LEU A 13 11.293 11.748 -16.623 1.00 75.00 H new ATOM 0 HD13 LEU A 13 10.441 10.970 -15.268 1.00 75.00 H new ATOM 0 HD21 LEU A 13 10.938 13.468 -13.512 1.00 75.00 H new ATOM 0 HD22 LEU A 13 11.303 11.914 -12.725 1.00 75.00 H new ATOM 0 HD23 LEU A 13 12.556 13.174 -12.831 1.00 75.00 H new ATOM 398 N MET A 29 13.542 7.169 -5.668 1.00 25.00 N ATOM 399 CA MET A 29 12.488 6.489 -6.406 1.00 25.00 C ATOM 400 C MET A 29 12.396 4.956 -6.269 1.00 25.00 C ATOM 401 O MET A 29 11.382 4.416 -6.835 1.00 25.00 O ATOM 402 CB MET A 29 12.664 6.824 -7.875 1.00 25.00 C ATOM 403 CG MET A 29 13.979 6.360 -8.488 1.00 25.00 C ATOM 404 SD MET A 29 13.802 4.755 -9.267 1.00 25.00 S ATOM 405 CE MET A 29 15.238 3.927 -8.677 1.00 25.00 C ATOM 0 HA MET A 29 11.561 6.853 -5.964 1.00 25.00 H new ATOM 0 HB2 MET A 29 11.842 6.378 -8.435 1.00 25.00 H new ATOM 0 HB3 MET A 29 12.584 7.904 -7.998 1.00 25.00 H new ATOM 0 HG2 MET A 29 14.317 7.089 -9.224 1.00 25.00 H new ATOM 0 HG3 MET A 29 14.746 6.309 -7.715 1.00 25.00 H new ATOM 0 HE1 MET A 29 15.265 2.914 -9.079 1.00 25.00 H new ATOM 0 HE2 MET A 29 16.128 4.468 -8.998 1.00 25.00 H new ATOM 0 HE3 MET A 29 15.212 3.885 -7.588 1.00 25.00 H new ATOM 415 N TYR A 30 13.249 4.236 -5.551 1.00 25.00 N ATOM 416 CA TYR A 30 13.070 2.737 -5.384 1.00 25.00 C ATOM 417 C TYR A 30 11.783 2.586 -4.582 1.00 25.00 C ATOM 418 O TYR A 30 10.930 1.772 -4.891 1.00 25.00 O ATOM 419 CB TYR A 30 14.262 2.095 -4.621 1.00 25.00 C ATOM 420 CG TYR A 30 14.124 0.649 -4.286 1.00 25.00 C ATOM 421 CD1 TYR A 30 14.493 -0.342 -5.252 1.00 50.00 C ATOM 422 CD2 TYR A 30 13.680 0.200 -3.050 1.00 50.00 C ATOM 423 CE1 TYR A 30 14.353 -1.724 -4.905 1.00 25.00 C ATOM 424 CE2 TYR A 30 13.556 -1.106 -2.744 1.00 25.00 C ATOM 425 CZ TYR A 30 13.950 -2.077 -3.660 1.00 25.00 C ATOM 426 OH TYR A 30 13.943 -3.428 -3.416 1.00 25.00 O ATOM 0 H TYR A 30 14.063 4.622 -5.073 1.00 25.00 H new ATOM 0 HA TYR A 30 13.027 2.232 -6.349 1.00 25.00 H new ATOM 0 HB2 TYR A 30 15.163 2.224 -5.221 1.00 25.00 H new ATOM 0 HB3 TYR A 30 14.415 2.649 -3.695 1.00 25.00 H new ATOM 0 HD1 TYR A 30 14.869 -0.053 -6.222 1.00 50.00 H new ATOM 0 HD2 TYR A 30 13.422 0.932 -2.299 1.00 50.00 H new ATOM 0 HE1 TYR A 30 14.569 -2.488 -5.638 1.00 25.00 H new ATOM 0 HE2 TYR A 30 13.151 -1.400 -1.787 1.00 25.00 H new ATOM 0 HH TYR A 30 13.642 -3.593 -2.498 1.00 25.00 H new ATOM 436 N GLU A 31 11.602 3.342 -3.501 1.00 25.00 N ATOM 437 CA GLU A 31 10.417 3.180 -2.649 1.00 25.00 C ATOM 438 C GLU A 31 9.773 4.437 -2.098 1.00 25.00 C ATOM 439 O GLU A 31 9.927 4.794 -0.936 1.00 25.00 O ATOM 440 CB GLU A 31 10.827 2.270 -1.480 1.00 25.00 C ATOM 441 CG GLU A 31 12.000 2.595 -0.704 1.00 25.00 C ATOM 442 CD GLU A 31 12.392 1.529 0.290 1.00 25.00 C ATOM 443 OE1 GLU A 31 13.561 1.084 0.305 1.00 25.00 O ATOM 444 OE2 GLU A 31 11.537 1.154 1.125 1.00 25.00 O1- ATOM 0 H GLU A 31 12.251 4.066 -3.193 1.00 25.00 H new ATOM 0 HA GLU A 31 9.644 2.766 -3.297 1.00 25.00 H new ATOM 0 HB2 GLU A 31 9.983 2.222 -0.792 1.00 25.00 H new ATOM 0 HB3 GLU A 31 10.969 1.266 -1.881 1.00 25.00 H new ATOM 0 HG2 GLU A 31 12.835 2.770 -1.382 1.00 25.00 H new ATOM 0 HG3 GLU A 31 11.823 3.528 -0.170 1.00 25.00 H new ATOM 451 N PRO A 32 9.068 5.191 -3.033 1.00 25.00 N ATOM 452 CA PRO A 32 8.450 6.472 -2.624 1.00 25.00 C ATOM 453 C PRO A 32 7.201 6.255 -1.696 1.00 25.00 C ATOM 454 O PRO A 32 6.796 7.099 -0.936 1.00 25.00 O ATOM 455 CB PRO A 32 7.901 7.066 -3.940 1.00 25.00 C ATOM 456 CG PRO A 32 7.724 5.952 -4.859 1.00 25.00 C ATOM 457 CD PRO A 32 8.825 4.958 -4.476 1.00 25.00 C ATOM 0 HA PRO A 32 9.176 7.086 -2.091 1.00 25.00 H new ATOM 0 HB2 PRO A 32 6.955 7.580 -3.768 1.00 25.00 H new ATOM 0 HB3 PRO A 32 8.593 7.801 -4.351 1.00 25.00 H new ATOM 0 HG2 PRO A 32 6.734 5.507 -4.756 1.00 25.00 H new ATOM 0 HG3 PRO A 32 7.823 6.274 -5.896 1.00 25.00 H new ATOM 0 HD2 PRO A 32 8.512 3.931 -4.662 1.00 25.00 H new ATOM 0 HD3 PRO A 32 9.729 5.126 -5.061 1.00 25.00 H new ATOM 465 N GLN A 33 6.605 5.047 -1.754 1.00 25.00 N ATOM 466 CA GLN A 33 5.343 4.743 -1.106 1.00 25.00 C ATOM 467 C GLN A 33 5.526 4.388 0.383 1.00 25.00 C ATOM 468 O GLN A 33 4.584 4.120 1.139 1.00 25.00 O ATOM 469 CB GLN A 33 4.697 3.496 -1.813 1.00 25.00 C ATOM 470 CG GLN A 33 5.215 2.058 -1.574 1.00 25.00 C ATOM 471 CD GLN A 33 6.691 1.841 -1.883 1.00 25.00 C ATOM 472 OE1 GLN A 33 7.250 2.465 -2.834 1.00 25.00 O ATOM 473 NE2 GLN A 33 7.329 1.056 -1.129 1.00 25.00 N ATOM 0 H GLN A 33 7.002 4.256 -2.261 1.00 25.00 H new ATOM 0 HA GLN A 33 4.714 5.630 -1.182 1.00 25.00 H new ATOM 0 HB2 GLN A 33 3.640 3.497 -1.548 1.00 25.00 H new ATOM 0 HB3 GLN A 33 4.757 3.677 -2.886 1.00 25.00 H new ATOM 0 HG2 GLN A 33 5.035 1.793 -0.532 1.00 25.00 H new ATOM 0 HG3 GLN A 33 4.628 1.371 -2.184 1.00 25.00 H new ATOM 0 HE21 GLN A 33 6.846 0.570 -0.373 1.00 25.00 H new ATOM 0 HE22 GLN A 33 8.327 0.907 -1.275 1.00 25.00 H new ATOM 482 N SER A 34 6.789 4.415 0.727 1.00 25.00 N ATOM 483 CA SER A 34 7.218 4.193 2.095 1.00 25.00 C ATOM 484 C SER A 34 6.944 5.445 2.913 1.00 25.00 C ATOM 485 O SER A 34 6.990 5.307 4.190 1.00 25.00 O ATOM 486 CB SER A 34 8.705 3.768 2.142 1.00 25.00 C ATOM 487 OG SER A 34 9.107 3.315 3.409 1.00 25.00 O ATOM 0 H SER A 34 7.551 4.591 0.072 1.00 25.00 H new ATOM 0 HA SER A 34 6.650 3.372 2.533 1.00 25.00 H new ATOM 0 HB2 SER A 34 8.875 2.979 1.410 1.00 25.00 H new ATOM 0 HB3 SER A 34 9.328 4.613 1.850 1.00 25.00 H new ATOM 0 HG SER A 34 8.568 3.754 4.100 1.00 25.00 H new ATOM 493 N LEU A 35 6.733 6.622 2.312 1.00 25.00 N ATOM 494 CA LEU A 35 6.494 7.816 3.105 1.00 25.00 C ATOM 495 C LEU A 35 5.115 7.713 3.725 1.00 25.00 C ATOM 496 O LEU A 35 4.127 7.557 3.005 1.00 25.00 O ATOM 497 CB LEU A 35 6.438 9.114 2.241 1.00 25.00 C ATOM 498 CG LEU A 35 7.735 9.528 1.626 1.00 25.00 C ATOM 499 CD1 LEU A 35 7.450 10.499 0.493 1.00 50.00 C ATOM 500 CD2 LEU A 35 8.728 10.227 2.489 1.00 50.00 C ATOM 0 H LEU A 35 6.724 6.765 1.302 1.00 25.00 H new ATOM 0 HA LEU A 35 7.310 7.876 3.826 1.00 25.00 H new ATOM 0 HB2 LEU A 35 5.707 8.970 1.445 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.073 9.930 2.865 1.00 25.00 H new ATOM 0 HG LEU A 35 8.182 8.574 1.345 1.00 25.00 H new ATOM 0 HD11 LEU A 35 8.389 10.809 0.035 1.00 50.00 H new ATOM 0 HD12 LEU A 35 6.825 10.012 -0.255 1.00 50.00 H new ATOM 0 HD13 LEU A 35 6.931 11.374 0.885 1.00 50.00 H new ATOM 0 HD21 LEU A 35 9.616 10.463 1.903 1.00 50.00 H new ATOM 0 HD22 LEU A 35 8.291 11.149 2.874 1.00 50.00 H new ATOM 0 HD23 LEU A 35 9.004 9.581 3.322 1.00 50.00 H new ATOM 512 N GLU A 36 5.010 7.715 5.040 1.00 25.00 N ATOM 513 CA GLU A 36 3.735 7.457 5.689 1.00 25.00 C ATOM 514 C GLU A 36 3.812 8.185 7.018 1.00 25.00 C ATOM 515 O GLU A 36 4.888 8.691 7.405 1.00 25.00 O ATOM 516 CB GLU A 36 3.470 5.984 6.012 1.00 25.00 C ATOM 517 CG GLU A 36 3.335 5.001 4.837 1.00 25.00 C ATOM 518 CD GLU A 36 3.251 3.526 5.260 1.00 25.00 C ATOM 519 OE1 GLU A 36 2.341 3.102 5.984 1.00 25.00 O ATOM 520 OE2 GLU A 36 4.205 2.763 4.952 1.00 25.00 O1- ATOM 0 H GLU A 36 5.786 7.891 5.678 1.00 25.00 H new ATOM 0 HA GLU A 36 2.941 7.778 5.015 1.00 25.00 H new ATOM 0 HB2 GLU A 36 4.279 5.631 6.651 1.00 25.00 H new ATOM 0 HB3 GLU A 36 2.553 5.930 6.599 1.00 25.00 H new ATOM 0 HG2 GLU A 36 2.443 5.255 4.265 1.00 25.00 H new ATOM 0 HG3 GLU A 36 4.188 5.129 4.170 1.00 25.00 H new ATOM 527 N ALA A 37 2.724 8.177 7.802 1.00 25.00 N ATOM 528 CA ALA A 37 2.718 8.579 9.202 1.00 25.00 C ATOM 529 C ALA A 37 1.725 7.687 9.870 1.00 25.00 C ATOM 530 O ALA A 37 0.701 7.357 9.235 1.00 25.00 O ATOM 531 CB ALA A 37 2.299 10.040 9.391 1.00 25.00 C ATOM 0 H ALA A 37 1.807 7.883 7.466 1.00 25.00 H new ATOM 0 HA ALA A 37 3.721 8.493 9.621 1.00 25.00 H new ATOM 0 HB1 ALA A 37 2.311 10.288 10.452 1.00 25.00 H new ATOM 0 HB2 ALA A 37 2.994 10.690 8.859 1.00 25.00 H new ATOM 0 HB3 ALA A 37 1.293 10.184 8.997 1.00 25.00 H new ATOM 537 N LYS A 38 1.922 7.277 11.087 1.00 25.00 N ATOM 538 CA LYS A 38 1.055 6.226 11.709 1.00 25.00 C ATOM 539 C LYS A 38 0.567 6.701 13.040 1.00 25.00 C ATOM 540 O LYS A 38 1.246 7.461 13.781 1.00 25.00 O ATOM 541 CB LYS A 38 1.942 4.975 11.973 1.00 25.00 C ATOM 542 CG LYS A 38 1.067 3.704 12.141 1.00 25.00 C ATOM 543 CD LYS A 38 1.898 2.515 12.263 1.00 25.00 C ATOM 544 CE LYS A 38 1.004 1.322 12.350 1.00 25.00 C ATOM 545 NZ LYS A 38 1.858 0.290 12.880 1.00 25.00 N1+ ATOM 0 H LYS A 38 2.661 7.629 11.695 1.00 25.00 H new ATOM 0 HA LYS A 38 0.215 6.006 11.050 1.00 25.00 H new ATOM 0 HB2 LYS A 38 2.638 4.836 11.146 1.00 25.00 H new ATOM 0 HB3 LYS A 38 2.541 5.131 12.870 1.00 25.00 H new ATOM 0 HG2 LYS A 38 0.437 3.805 13.025 1.00 25.00 H new ATOM 0 HG3 LYS A 38 0.400 3.601 11.285 1.00 25.00 H new ATOM 0 HD2 LYS A 38 2.564 2.428 11.404 1.00 25.00 H new ATOM 0 HD3 LYS A 38 2.528 2.582 13.150 1.00 25.00 H new ATOM 0 HE2 LYS A 38 0.150 1.509 13.002 1.00 25.00 H new ATOM 0 HE3 LYS A 38 0.605 1.049 11.373 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 1.321 -0.597 12.962 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 2.667 0.147 12.242 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 2.203 0.573 13.819 1.00 25.00 H new ATOM 559 N LYS A 39 -0.656 6.279 13.335 1.00 25.00 N ATOM 560 CA LYS A 39 -1.207 6.455 14.692 1.00 25.00 C ATOM 561 C LYS A 39 -0.280 5.751 15.733 1.00 25.00 C ATOM 562 O LYS A 39 0.300 4.751 15.416 1.00 25.00 O ATOM 563 CB LYS A 39 -2.601 5.792 14.700 1.00 25.00 C ATOM 564 CG LYS A 39 -3.529 6.063 15.892 1.00 25.00 C ATOM 565 CD LYS A 39 -4.857 5.458 15.791 1.00 25.00 C ATOM 566 CE LYS A 39 -5.704 5.914 16.940 1.00 25.00 C ATOM 567 NZ LYS A 39 -7.030 5.158 16.947 1.00 25.00 N1+ ATOM 0 H LYS A 39 -1.283 5.820 12.674 1.00 25.00 H new ATOM 0 HA LYS A 39 -1.275 7.511 14.954 1.00 25.00 H new ATOM 0 HB2 LYS A 39 -3.123 6.104 13.795 1.00 25.00 H new ATOM 0 HB3 LYS A 39 -2.457 4.714 14.629 1.00 25.00 H new ATOM 0 HG2 LYS A 39 -3.047 5.697 16.799 1.00 25.00 H new ATOM 0 HG3 LYS A 39 -3.645 7.141 16.005 1.00 25.00 H new ATOM 0 HD2 LYS A 39 -5.325 5.738 14.847 1.00 25.00 H new ATOM 0 HD3 LYS A 39 -4.774 4.371 15.796 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -5.177 5.747 17.879 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -5.888 6.986 16.863 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -7.610 5.482 17.747 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -7.537 5.338 16.057 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -6.848 4.138 17.041 1.00 25.00 H new ATOM 781 N LEU A 57 8.258 20.381 8.699 1.00 25.00 N ATOM 782 CA LEU A 57 8.499 20.952 7.328 1.00 25.00 C ATOM 783 C LEU A 57 9.414 22.185 7.273 1.00 25.00 C ATOM 784 O LEU A 57 9.856 22.614 6.217 1.00 25.00 O ATOM 785 CB LEU A 57 7.156 21.370 6.689 1.00 25.00 C ATOM 786 CG LEU A 57 6.174 20.259 6.277 1.00 25.00 C ATOM 787 CD1 LEU A 57 4.790 20.737 5.968 1.00 50.00 C ATOM 788 CD2 LEU A 57 6.786 19.353 5.155 1.00 50.00 C ATOM 0 HA LEU A 57 9.002 20.147 6.792 1.00 25.00 H new ATOM 0 HB2 LEU A 57 6.642 22.026 7.392 1.00 25.00 H new ATOM 0 HB3 LEU A 57 7.379 21.964 5.803 1.00 25.00 H new ATOM 0 HG LEU A 57 6.034 19.635 7.160 1.00 25.00 H new ATOM 0 HD11 LEU A 57 4.166 19.888 5.687 1.00 50.00 H new ATOM 0 HD12 LEU A 57 4.368 21.222 6.848 1.00 50.00 H new ATOM 0 HD13 LEU A 57 4.827 21.449 5.143 1.00 50.00 H new ATOM 0 HD21 LEU A 57 6.071 18.577 4.884 1.00 50.00 H new ATOM 0 HD22 LEU A 57 7.012 19.961 4.279 1.00 50.00 H new ATOM 0 HD23 LEU A 57 7.702 18.890 5.521 1.00 50.00 H new ATOM 800 N PHE A 58 9.963 22.553 8.410 1.00 25.00 N ATOM 801 CA PHE A 58 11.238 23.258 8.461 1.00 25.00 C ATOM 802 C PHE A 58 12.304 22.138 8.242 1.00 25.00 C ATOM 803 O PHE A 58 13.382 22.366 7.697 1.00 25.00 O ATOM 804 CB PHE A 58 11.421 23.891 9.825 1.00 25.00 C ATOM 805 CG PHE A 58 10.656 25.211 9.973 1.00 25.00 C ATOM 806 CD1 PHE A 58 10.098 25.514 11.185 1.00 50.00 C ATOM 807 CD2 PHE A 58 10.471 26.197 8.947 1.00 50.00 C ATOM 808 CE1 PHE A 58 9.434 26.739 11.474 1.00 25.00 C ATOM 809 CE2 PHE A 58 9.681 27.409 9.112 1.00 25.00 C ATOM 810 CZ PHE A 58 9.153 27.681 10.444 1.00 25.00 C ATOM 0 H PHE A 58 9.546 22.376 9.324 1.00 25.00 H new ATOM 0 HA PHE A 58 11.311 24.056 7.722 1.00 25.00 H new ATOM 0 HB2 PHE A 58 11.085 23.194 10.592 1.00 25.00 H new ATOM 0 HB3 PHE A 58 12.482 24.070 9.999 1.00 25.00 H new ATOM 0 HD1 PHE A 58 10.166 24.777 11.972 1.00 50.00 H new ATOM 0 HD2 PHE A 58 10.948 26.030 7.992 1.00 50.00 H new ATOM 0 HE1 PHE A 58 9.139 26.957 12.490 1.00 25.00 H new ATOM 0 HE2 PHE A 58 9.494 28.077 8.284 1.00 25.00 H new ATOM 0 HZ PHE A 58 8.568 28.567 10.642 1.00 25.00 H new ATOM 820 N GLY A 59 11.909 20.918 8.539 1.00 25.00 N ATOM 821 CA GLY A 59 12.758 19.737 8.287 1.00 25.00 C ATOM 822 C GLY A 59 12.742 19.352 6.841 1.00 25.00 C ATOM 823 O GLY A 59 13.700 18.711 6.349 1.00 25.00 O ATOM 0 H GLY A 59 11.004 20.701 8.957 1.00 25.00 H new ATOM 0 HA2 GLY A 59 13.781 19.950 8.597 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.409 18.900 8.892 1.00 25.00 H new ATOM 827 N GLY A 60 11.754 19.819 6.122 1.00 25.00 N ATOM 828 CA GLY A 60 11.693 19.656 4.673 1.00 25.00 C ATOM 829 C GLY A 60 12.886 20.283 4.040 1.00 25.00 C ATOM 830 O GLY A 60 13.373 19.856 3.014 1.00 25.00 O ATOM 0 H GLY A 60 10.962 20.326 6.516 1.00 25.00 H new ATOM 0 HA2 GLY A 60 11.651 18.597 4.419 1.00 25.00 H new ATOM 0 HA3 GLY A 60 10.783 20.113 4.285 1.00 25.00 H new ATOM 834 N ILE A 61 13.382 21.391 4.604 1.00 25.00 N ATOM 835 CA ILE A 61 14.511 22.139 3.998 1.00 25.00 C ATOM 836 C ILE A 61 15.767 21.339 3.904 1.00 25.00 C ATOM 837 O ILE A 61 16.458 21.370 2.903 1.00 25.00 O ATOM 838 CB ILE A 61 14.633 23.528 4.632 1.00 25.00 C ATOM 839 CG1 ILE A 61 13.243 24.297 4.644 1.00 25.00 C ATOM 840 CG2 ILE A 61 15.672 24.402 3.934 1.00 25.00 C ATOM 841 CD1 ILE A 61 13.289 25.608 5.493 1.00 25.00 C ATOM 0 H ILE A 61 13.029 21.794 5.472 1.00 25.00 H new ATOM 0 HA ILE A 61 14.289 22.324 2.947 1.00 25.00 H new ATOM 0 HB ILE A 61 14.958 23.350 5.657 1.00 25.00 H new ATOM 0 HG12 ILE A 61 12.958 24.541 3.621 1.00 25.00 H new ATOM 0 HG13 ILE A 61 12.471 23.638 5.041 1.00 25.00 H new ATOM 0 HG21 ILE A 61 15.717 25.375 4.424 1.00 25.00 H new ATOM 0 HG22 ILE A 61 16.649 23.921 3.990 1.00 25.00 H new ATOM 0 HG23 ILE A 61 15.393 24.535 2.889 1.00 25.00 H new ATOM 0 HD11 ILE A 61 12.313 26.093 5.467 1.00 25.00 H new ATOM 0 HD12 ILE A 61 13.546 25.365 6.524 1.00 25.00 H new ATOM 0 HD13 ILE A 61 14.040 26.282 5.081 1.00 25.00 H new ATOM 853 N LEU A 62 16.047 20.555 4.956 1.00 25.00 N ATOM 854 CA LEU A 62 17.211 19.662 5.000 1.00 25.00 C ATOM 855 C LEU A 62 17.018 18.523 4.008 1.00 25.00 C ATOM 856 O LEU A 62 17.976 17.832 3.575 1.00 25.00 O ATOM 857 CB LEU A 62 17.338 19.109 6.429 1.00 25.00 C ATOM 858 CG LEU A 62 17.862 19.973 7.577 1.00 25.00 C ATOM 859 CD1 LEU A 62 16.769 20.858 8.208 1.00 75.00 C ATOM 860 CD2 LEU A 62 18.363 19.136 8.692 1.00 75.00 C ATOM 0 H LEU A 62 15.473 20.523 5.798 1.00 25.00 H new ATOM 0 HA LEU A 62 18.118 20.203 4.731 1.00 25.00 H new ATOM 0 HB2 LEU A 62 16.348 18.759 6.722 1.00 25.00 H new ATOM 0 HB3 LEU A 62 17.983 18.232 6.373 1.00 25.00 H new ATOM 0 HG LEU A 62 18.645 20.583 7.126 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.200 21.448 9.017 1.00 75.00 H new ATOM 0 HD12 LEU A 62 16.359 21.526 7.450 1.00 75.00 H new ATOM 0 HD13 LEU A 62 15.973 20.227 8.604 1.00 75.00 H new ATOM 0 HD21 LEU A 62 18.729 19.778 9.493 1.00 75.00 H new ATOM 0 HD22 LEU A 62 17.554 18.510 9.069 1.00 75.00 H new ATOM 0 HD23 LEU A 62 19.175 18.503 8.335 1.00 75.00 H new ATOM 872 N ASP A 63 15.740 18.145 3.768 1.00 25.00 N ATOM 873 CA ASP A 63 15.449 16.951 2.985 1.00 25.00 C ATOM 874 C ASP A 63 15.707 17.217 1.510 1.00 25.00 C ATOM 875 O ASP A 63 16.363 16.482 0.820 1.00 25.00 O ATOM 876 CB ASP A 63 14.016 16.400 3.198 1.00 25.00 C ATOM 877 CG ASP A 63 13.833 15.033 2.536 1.00 25.00 C ATOM 878 OD1 ASP A 63 12.934 14.840 1.721 1.00 50.00 O ATOM 879 OD2 ASP A 63 14.640 14.129 2.897 1.00 50.00 O1- ATOM 0 H ASP A 63 14.918 18.647 4.104 1.00 25.00 H new ATOM 0 HA ASP A 63 16.124 16.174 3.344 1.00 25.00 H new ATOM 0 HB2 ASP A 63 13.812 16.318 4.266 1.00 25.00 H new ATOM 0 HB3 ASP A 63 13.291 17.103 2.788 1.00 25.00 H new ATOM 884 N GLN A 64 15.387 18.460 1.095 1.00 25.00 N ATOM 885 CA GLN A 64 15.840 18.953 -0.212 1.00 25.00 C ATOM 886 C GLN A 64 17.335 19.407 -0.256 1.00 25.00 C ATOM 887 O GLN A 64 17.704 20.272 -1.057 1.00 25.00 O ATOM 888 CB GLN A 64 14.892 20.028 -0.752 1.00 25.00 C ATOM 889 CG GLN A 64 14.870 21.321 0.031 1.00 25.00 C ATOM 890 CD GLN A 64 14.058 22.407 -0.581 1.00 25.00 C ATOM 891 OE1 GLN A 64 14.575 23.294 -1.276 1.00 25.00 O ATOM 892 NE2 GLN A 64 12.778 22.362 -0.378 1.00 25.00 N ATOM 0 H GLN A 64 14.830 19.123 1.634 1.00 25.00 H new ATOM 0 HA GLN A 64 15.802 18.092 -0.880 1.00 25.00 H new ATOM 0 HB2 GLN A 64 15.170 20.251 -1.782 1.00 25.00 H new ATOM 0 HB3 GLN A 64 13.882 19.620 -0.776 1.00 25.00 H new ATOM 0 HG2 GLN A 64 14.485 21.118 1.030 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.894 21.675 0.150 1.00 25.00 H new ATOM 0 HE21 GLN A 64 12.379 21.621 0.198 1.00 25.00 H new ATOM 0 HE22 GLN A 64 12.170 23.068 -0.795 1.00 25.00 H new ATOM 901 N GLN A 65 18.122 18.941 0.684 1.00 25.00 N ATOM 902 CA GLN A 65 19.561 19.212 0.758 1.00 25.00 C ATOM 903 C GLN A 65 20.269 18.047 1.335 1.00 25.00 C ATOM 904 O GLN A 65 21.253 18.100 2.126 1.00 25.00 O ATOM 905 CB GLN A 65 19.752 20.451 1.685 1.00 25.00 C ATOM 906 CG GLN A 65 21.069 21.207 1.634 1.00 25.00 C ATOM 907 CD GLN A 65 20.974 22.612 2.217 1.00 25.00 C ATOM 908 OE1 GLN A 65 19.961 23.083 2.579 1.00 25.00 O ATOM 909 NE2 GLN A 65 22.035 23.327 2.277 1.00 25.00 N ATOM 0 H GLN A 65 17.784 18.348 1.442 1.00 25.00 H new ATOM 0 HA GLN A 65 19.966 19.401 -0.236 1.00 25.00 H new ATOM 0 HB2 GLN A 65 18.956 21.160 1.457 1.00 25.00 H new ATOM 0 HB3 GLN A 65 19.601 20.121 2.713 1.00 25.00 H new ATOM 0 HG2 GLN A 65 21.826 20.644 2.180 1.00 25.00 H new ATOM 0 HG3 GLN A 65 21.404 21.271 0.599 1.00 25.00 H new ATOM 0 HE21 GLN A 65 22.928 22.942 1.969 1.00 25.00 H new ATOM 0 HE22 GLN A 65 21.987 24.282 2.633 1.00 25.00 H new ATOM 918 N SER A 66 19.799 16.892 0.875 1.00 25.00 N ATOM 919 CA SER A 66 20.308 15.553 1.177 1.00 25.00 C ATOM 920 C SER A 66 20.395 14.575 -0.061 1.00 25.00 C ATOM 921 O SER A 66 20.012 14.913 -1.157 1.00 25.00 O ATOM 922 CB SER A 66 19.401 14.894 2.178 1.00 25.00 C ATOM 923 OG SER A 66 18.168 14.666 1.518 1.00 25.00 O ATOM 0 H SER A 66 19.001 16.861 0.240 1.00 25.00 H new ATOM 0 HA SER A 66 21.322 15.715 1.543 1.00 25.00 H new ATOM 0 HB2 SER A 66 19.830 13.957 2.532 1.00 25.00 H new ATOM 0 HB3 SER A 66 19.261 15.530 3.052 1.00 25.00 H new ATOM 0 HG SER A 66 17.641 15.492 1.516 1.00 25.00 H new ATOM 929 N GLU A 67 20.802 13.360 0.180 1.00 25.00 N ATOM 930 CA GLU A 67 20.707 12.306 -0.858 1.00 25.00 C ATOM 931 C GLU A 67 19.251 12.010 -1.364 1.00 25.00 C ATOM 932 O GLU A 67 18.948 11.662 -2.492 1.00 25.00 O ATOM 933 CB GLU A 67 21.432 11.026 -0.423 1.00 25.00 C ATOM 934 CG GLU A 67 21.737 10.080 -1.646 1.00 25.00 C ATOM 935 CD GLU A 67 22.694 10.732 -2.645 1.00 25.00 C ATOM 936 OE1 GLU A 67 23.880 11.019 -2.334 1.00 25.00 O ATOM 937 OE2 GLU A 67 22.271 10.842 -3.818 1.00 25.00 O1- ATOM 0 H GLU A 67 21.202 13.052 1.066 1.00 25.00 H new ATOM 0 HA GLU A 67 21.221 12.716 -1.727 1.00 25.00 H new ATOM 0 HB2 GLU A 67 22.366 11.289 0.075 1.00 25.00 H new ATOM 0 HB3 GLU A 67 20.821 10.492 0.305 1.00 25.00 H new ATOM 0 HG2 GLU A 67 22.169 9.147 -1.285 1.00 25.00 H new ATOM 0 HG3 GLU A 67 20.804 9.825 -2.150 1.00 25.00 H new ATOM 944 N ASN A 68 18.307 12.330 -0.531 1.00 25.00 N ATOM 945 CA ASN A 68 16.822 12.203 -0.776 1.00 25.00 C ATOM 946 C ASN A 68 16.276 13.528 -1.333 1.00 25.00 C ATOM 947 O ASN A 68 15.053 13.722 -1.414 1.00 25.00 O ATOM 948 CB ASN A 68 16.040 11.925 0.482 1.00 25.00 C ATOM 949 CG ASN A 68 16.301 10.554 1.060 1.00 25.00 C ATOM 950 OD1 ASN A 68 17.127 9.774 0.592 1.00 25.00 O ATOM 951 ND2 ASN A 68 15.581 10.334 2.158 1.00 25.00 N ATOM 0 H ASN A 68 18.515 12.708 0.393 1.00 25.00 H new ATOM 0 HA ASN A 68 16.703 11.371 -1.470 1.00 25.00 H new ATOM 0 HB2 ASN A 68 16.288 12.679 1.229 1.00 25.00 H new ATOM 0 HB3 ASN A 68 14.976 12.025 0.269 1.00 25.00 H new ATOM 0 HD21 ASN A 68 15.696 9.464 2.677 1.00 25.00 H new ATOM 0 HD22 ASN A 68 14.915 11.036 2.480 1.00 25.00 H new ATOM 958 N ARG A 69 17.166 14.367 -1.845 1.00 25.00 N ATOM 959 CA ARG A 69 16.777 15.583 -2.588 1.00 25.00 C ATOM 960 C ARG A 69 16.180 15.167 -3.915 1.00 25.00 C ATOM 961 O ARG A 69 16.790 15.009 -5.037 1.00 25.00 O ATOM 962 CB ARG A 69 17.948 16.471 -2.795 1.00 25.00 C ATOM 963 CG ARG A 69 17.652 17.698 -3.615 1.00 25.00 C ATOM 964 CD ARG A 69 18.806 18.674 -3.740 1.00 25.00 C ATOM 965 NE ARG A 69 19.897 18.060 -4.509 1.00 25.00 N ATOM 966 CZ ARG A 69 21.065 18.591 -4.849 1.00 25.00 C ATOM 967 NH1 ARG A 69 21.381 19.913 -4.675 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 21.948 17.874 -5.452 1.00 25.00 N ATOM 0 H ARG A 69 18.174 14.236 -1.764 1.00 25.00 H new ATOM 0 HA ARG A 69 16.040 16.143 -2.013 1.00 25.00 H new ATOM 0 HB2 ARG A 69 18.332 16.781 -1.823 1.00 25.00 H new ATOM 0 HB3 ARG A 69 18.739 15.903 -3.284 1.00 25.00 H new ATOM 0 HG2 ARG A 69 17.349 17.385 -4.614 1.00 25.00 H new ATOM 0 HG3 ARG A 69 16.802 18.217 -3.172 1.00 25.00 H new ATOM 0 HD2 ARG A 69 18.471 19.587 -4.233 1.00 25.00 H new ATOM 0 HD3 ARG A 69 19.162 18.959 -2.750 1.00 25.00 H new ATOM 0 HE ARG A 69 19.736 17.103 -4.822 1.00 25.00 H new ATOM 0 HH11 ARG A 69 20.700 20.550 -4.263 1.00 25.00 H new ATOM 0 HH12 ARG A 69 22.298 20.260 -4.958 1.00 25.00 H new ATOM 0 HH21 ARG A 69 21.750 16.897 -5.669 1.00 25.00 H new ATOM 0 HH22 ARG A 69 22.845 18.283 -5.713 1.00 25.00 H new ATOM 982 N TRP A 70 14.881 15.006 -3.776 1.00 25.00 N ATOM 983 CA TRP A 70 13.996 14.589 -4.840 1.00 25.00 C ATOM 984 C TRP A 70 14.186 15.473 -6.048 1.00 25.00 C ATOM 985 O TRP A 70 14.669 16.634 -5.859 1.00 25.00 O ATOM 986 CB TRP A 70 12.507 14.685 -4.425 1.00 25.00 C ATOM 987 CG TRP A 70 12.179 14.024 -3.165 1.00 25.00 C ATOM 988 CD1 TRP A 70 12.375 14.514 -1.897 1.00 25.00 C ATOM 989 CD2 TRP A 70 11.418 12.788 -2.954 1.00 25.00 C ATOM 990 NE1 TRP A 70 11.941 13.606 -0.957 1.00 25.00 N ATOM 991 CE2 TRP A 70 11.337 12.563 -1.565 1.00 25.00 C ATOM 992 CE3 TRP A 70 10.825 11.875 -3.832 1.00 25.00 C ATOM 993 CZ2 TRP A 70 10.879 11.359 -1.041 1.00 25.00 C ATOM 994 CZ3 TRP A 70 10.241 10.673 -3.255 1.00 25.00 C ATOM 995 CH2 TRP A 70 10.358 10.400 -1.894 1.00 25.00 C ATOM 0 H TRP A 70 14.398 15.167 -2.892 1.00 25.00 H new ATOM 0 HA TRP A 70 14.243 13.552 -5.065 1.00 25.00 H new ATOM 0 HB2 TRP A 70 12.233 15.737 -4.349 1.00 25.00 H new ATOM 0 HB3 TRP A 70 11.895 14.252 -5.216 1.00 25.00 H new ATOM 0 HD1 TRP A 70 12.809 15.476 -1.669 1.00 25.00 H new ATOM 0 HE1 TRP A 70 12.059 13.707 0.051 1.00 25.00 H new ATOM 0 HE3 TRP A 70 10.801 12.055 -4.897 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 10.929 11.173 0.022 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 9.709 9.982 -3.892 1.00 25.00 H new ATOM 0 HH2 TRP A 70 10.043 9.443 -1.505 1.00 25.00 H new ATOM 1006 N PHE A 71 13.762 15.025 -7.226 1.00 25.00 N ATOM 1007 CA PHE A 71 13.670 15.855 -8.460 1.00 25.00 C ATOM 1008 C PHE A 71 12.720 16.996 -8.346 1.00 25.00 C ATOM 1009 O PHE A 71 11.647 16.876 -7.701 1.00 25.00 O ATOM 1010 CB PHE A 71 13.276 14.963 -9.708 1.00 25.00 C ATOM 1011 CG PHE A 71 11.895 14.324 -9.577 1.00 25.00 C ATOM 1012 CD1 PHE A 71 11.750 12.964 -9.160 1.00 50.00 C ATOM 1013 CD2 PHE A 71 10.749 15.014 -10.107 1.00 50.00 C ATOM 1014 CE1 PHE A 71 10.482 12.353 -9.137 1.00 25.00 C ATOM 1015 CE2 PHE A 71 9.470 14.478 -10.092 1.00 25.00 C ATOM 1016 CZ PHE A 71 9.299 13.100 -9.591 1.00 25.00 C ATOM 0 H PHE A 71 13.464 14.060 -7.370 1.00 25.00 H new ATOM 0 HA PHE A 71 14.663 16.281 -8.601 1.00 25.00 H new ATOM 0 HB2 PHE A 71 13.301 15.577 -10.608 1.00 25.00 H new ATOM 0 HB3 PHE A 71 14.022 14.179 -9.836 1.00 25.00 H new ATOM 0 HD1 PHE A 71 12.621 12.400 -8.860 1.00 50.00 H new ATOM 0 HD2 PHE A 71 10.891 15.995 -10.536 1.00 50.00 H new ATOM 0 HE1 PHE A 71 10.378 11.337 -8.786 1.00 25.00 H new ATOM 0 HE2 PHE A 71 8.623 15.052 -10.437 1.00 25.00 H new ATOM 0 HZ PHE A 71 8.319 12.647 -9.558 1.00 25.00 H new ATOM 1026 N LYS A 72 13.109 18.077 -8.947 1.00 25.00 N ATOM 1027 CA LYS A 72 12.175 19.182 -9.145 1.00 25.00 C ATOM 1028 C LYS A 72 11.585 18.854 -10.493 1.00 25.00 C ATOM 1029 O LYS A 72 12.412 18.569 -11.372 1.00 25.00 O ATOM 1030 CB LYS A 72 12.789 20.585 -9.095 1.00 25.00 C ATOM 1031 CG LYS A 72 13.248 20.878 -7.702 1.00 25.00 C ATOM 1032 CD LYS A 72 14.108 22.156 -7.680 1.00 25.00 C ATOM 1033 CE LYS A 72 13.412 23.533 -8.036 1.00 25.00 C ATOM 1034 NZ LYS A 72 14.367 24.648 -7.932 1.00 25.00 N1+ ATOM 0 H LYS A 72 14.049 18.234 -9.310 1.00 25.00 H new ATOM 0 HA LYS A 72 11.450 19.248 -8.334 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.628 20.651 -9.788 1.00 25.00 H new ATOM 0 HB3 LYS A 72 12.055 21.326 -9.411 1.00 25.00 H new ATOM 0 HG2 LYS A 72 12.386 21.000 -7.046 1.00 25.00 H new ATOM 0 HG3 LYS A 72 13.825 20.037 -7.317 1.00 25.00 H new ATOM 0 HD2 LYS A 72 14.540 22.249 -6.684 1.00 25.00 H new ATOM 0 HD3 LYS A 72 14.936 22.012 -8.374 1.00 25.00 H new ATOM 0 HE2 LYS A 72 13.007 23.489 -9.047 1.00 25.00 H new ATOM 0 HE3 LYS A 72 12.572 23.705 -7.363 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 13.887 25.539 -8.170 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 14.734 24.701 -6.960 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.156 24.492 -8.592 1.00 25.00 H new ATOM 1048 N HIS A 73 10.298 19.083 -10.804 1.00 25.00 N ATOM 1049 CA HIS A 73 9.758 18.980 -12.138 1.00 25.00 C ATOM 1050 C HIS A 73 9.244 20.340 -12.561 1.00 25.00 C ATOM 1051 O HIS A 73 8.541 21.029 -11.782 1.00 25.00 O ATOM 1052 CB HIS A 73 8.643 17.975 -12.278 1.00 25.00 C ATOM 1053 CG HIS A 73 8.437 17.518 -13.693 1.00 25.00 C ATOM 1054 ND1 HIS A 73 9.160 16.448 -14.242 1.00 25.00 N ATOM 1055 CD2 HIS A 73 7.602 17.881 -14.692 1.00 25.00 C ATOM 1056 CE1 HIS A 73 8.831 16.295 -15.519 1.00 25.00 C ATOM 1057 NE2 HIS A 73 7.829 17.080 -15.750 1.00 25.00 N ATOM 0 H HIS A 73 9.602 19.350 -10.108 1.00 25.00 H new ATOM 0 HA HIS A 73 10.571 18.631 -12.775 1.00 25.00 H new ATOM 0 HB2 HIS A 73 8.860 17.110 -11.651 1.00 25.00 H new ATOM 0 HB3 HIS A 73 7.717 18.414 -11.906 1.00 25.00 H new ATOM 0 HD2 HIS A 73 6.875 18.679 -14.649 1.00 25.00 H new ATOM 0 HE1 HIS A 73 9.310 15.639 -16.231 1.00 25.00 H new ATOM 0 HE2 HIS A 73 7.286 17.091 -16.614 1.00 25.00 H new ATOM 1065 N ILE A 74 9.705 20.804 -13.660 1.00 25.00 N ATOM 1066 CA ILE A 74 9.384 22.113 -14.095 1.00 25.00 C ATOM 1067 C ILE A 74 7.994 22.132 -14.842 1.00 25.00 C ATOM 1068 O ILE A 74 7.755 21.308 -15.671 1.00 25.00 O ATOM 1069 CB ILE A 74 10.570 22.737 -15.025 1.00 25.00 C ATOM 1070 CG1 ILE A 74 11.947 22.539 -14.368 1.00 25.00 C ATOM 1071 CG2 ILE A 74 10.324 24.227 -15.172 1.00 25.00 C ATOM 1072 CD1 ILE A 74 13.131 22.836 -15.270 1.00 25.00 C ATOM 0 H ILE A 74 10.319 20.286 -14.288 1.00 25.00 H new ATOM 0 HA ILE A 74 9.297 22.747 -13.213 1.00 25.00 H new ATOM 0 HB ILE A 74 10.564 22.232 -15.991 1.00 25.00 H new ATOM 0 HG12 ILE A 74 12.009 23.179 -13.488 1.00 25.00 H new ATOM 0 HG13 ILE A 74 12.023 21.509 -14.020 1.00 25.00 H new ATOM 0 HG21 ILE A 74 11.106 24.666 -15.791 1.00 25.00 H new ATOM 0 HG22 ILE A 74 9.354 24.391 -15.642 1.00 25.00 H new ATOM 0 HG23 ILE A 74 10.334 24.696 -14.188 1.00 25.00 H new ATOM 0 HD11 ILE A 74 14.058 22.669 -14.721 1.00 25.00 H new ATOM 0 HD12 ILE A 74 13.100 22.179 -16.139 1.00 25.00 H new ATOM 0 HD13 ILE A 74 13.086 23.874 -15.599 1.00 25.00 H new ATOM 1084 N MET A 75 7.062 22.942 -14.398 1.00 25.00 N ATOM 1085 CA MET A 75 5.665 22.788 -14.803 1.00 25.00 C ATOM 1086 C MET A 75 5.037 24.162 -15.075 1.00 25.00 C ATOM 1087 O MET A 75 5.426 25.176 -14.530 1.00 25.00 O ATOM 1088 CB MET A 75 4.908 22.091 -13.634 1.00 25.00 C ATOM 1089 CG MET A 75 5.225 20.581 -13.559 1.00 25.00 C ATOM 1090 SD MET A 75 4.309 19.760 -12.310 1.00 25.00 S ATOM 1091 CE MET A 75 2.779 19.277 -13.089 1.00 25.00 C ATOM 0 H MET A 75 7.235 23.716 -13.757 1.00 25.00 H new ATOM 0 HA MET A 75 5.601 22.195 -15.715 1.00 25.00 H new ATOM 0 HB2 MET A 75 5.180 22.566 -12.691 1.00 25.00 H new ATOM 0 HB3 MET A 75 3.835 22.230 -13.763 1.00 25.00 H new ATOM 0 HG2 MET A 75 5.011 20.120 -14.523 1.00 25.00 H new ATOM 0 HG3 MET A 75 6.290 20.446 -13.371 1.00 25.00 H new ATOM 0 HE1 MET A 75 2.151 18.756 -12.366 1.00 25.00 H new ATOM 0 HE2 MET A 75 2.258 20.164 -13.449 1.00 25.00 H new ATOM 0 HE3 MET A 75 2.991 18.615 -13.929 1.00 25.00 H new ATOM 1101 N THR A 76 3.980 24.152 -15.867 1.00 25.00 N ATOM 1102 CA THR A 76 3.389 25.434 -16.251 1.00 25.00 C ATOM 1103 C THR A 76 2.352 25.776 -15.193 1.00 25.00 C ATOM 1104 O THR A 76 2.038 24.963 -14.265 1.00 25.00 O ATOM 1105 CB THR A 76 2.747 25.200 -17.649 1.00 25.00 C ATOM 1106 OG1 THR A 76 1.758 24.147 -17.508 1.00 25.00 O ATOM 1107 CG2 THR A 76 3.738 24.697 -18.614 1.00 25.00 C ATOM 0 H THR A 76 3.527 23.320 -16.244 1.00 25.00 H new ATOM 0 HA THR A 76 4.099 26.259 -16.313 1.00 25.00 H new ATOM 0 HB THR A 76 2.330 26.144 -17.999 1.00 25.00 H new ATOM 0 HG1 THR A 76 0.943 24.515 -17.108 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.259 24.543 -19.581 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.544 25.423 -18.720 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.146 23.751 -18.257 1.00 25.00 H new ATOM 1115 N GLY A 77 1.695 26.955 -15.366 1.00 25.00 N ATOM 1116 CA GLY A 77 0.483 27.280 -14.688 1.00 25.00 C ATOM 1117 C GLY A 77 -0.682 26.540 -15.315 1.00 25.00 C ATOM 1118 O GLY A 77 -0.531 25.660 -16.108 1.00 25.00 O ATOM 0 H GLY A 77 2.023 27.690 -15.993 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.566 27.016 -13.634 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.308 28.355 -14.735 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.874 26.903 -14.917 1.00 25.00 N ATOM 1123 CA GLY A 78 -3.052 26.269 -15.537 1.00 25.00 C ATOM 1124 C GLY A 78 -3.539 25.004 -14.885 1.00 25.00 C ATOM 1125 O GLY A 78 -3.046 24.580 -13.830 1.00 25.00 O ATOM 0 H GLY A 78 -2.071 27.601 -14.200 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.869 26.991 -15.540 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -2.816 26.050 -16.578 1.00 25.00 H new ATOM 1129 N GLU A 79 -4.624 24.390 -15.398 1.00 25.00 N ATOM 1130 CA GLU A 79 -4.980 23.137 -14.804 1.00 25.00 C ATOM 1131 C GLU A 79 -4.015 22.061 -15.319 1.00 25.00 C ATOM 1132 O GLU A 79 -3.547 22.054 -16.437 1.00 25.00 O ATOM 1133 CB GLU A 79 -6.367 22.735 -15.217 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.447 23.691 -14.628 1.00 25.00 C ATOM 1135 CD GLU A 79 -8.820 23.238 -14.972 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -9.159 23.189 -16.158 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -9.579 22.911 -14.044 1.00 25.00 O1- ATOM 0 H GLU A 79 -5.212 24.725 -16.161 1.00 25.00 H new ATOM 0 HA GLU A 79 -4.932 23.236 -13.720 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -6.436 22.735 -16.305 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -6.564 21.716 -14.885 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -7.339 23.740 -13.544 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -7.289 24.700 -15.010 1.00 25.00 H new ATOM 1144 N HIS A 80 -3.800 21.107 -14.455 1.00 25.00 N ATOM 1145 CA HIS A 80 -3.105 19.836 -14.721 1.00 25.00 C ATOM 1146 C HIS A 80 -3.975 18.723 -14.227 1.00 25.00 C ATOM 1147 O HIS A 80 -4.870 19.017 -13.401 1.00 25.00 O ATOM 1148 CB HIS A 80 -1.813 19.821 -13.957 1.00 25.00 C ATOM 1149 CG HIS A 80 -0.893 20.958 -14.354 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -0.271 21.059 -15.579 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -0.577 22.106 -13.710 1.00 25.00 C ATOM 1152 CE1 HIS A 80 0.518 22.086 -15.555 1.00 25.00 C ATOM 1153 NE2 HIS A 80 0.311 22.792 -14.479 1.00 25.00 N ATOM 0 H HIS A 80 -4.115 21.180 -13.488 1.00 25.00 H new ATOM 0 HA HIS A 80 -2.904 19.722 -15.786 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -2.025 19.884 -12.890 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -1.306 18.871 -14.125 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -0.963 22.422 -12.752 1.00 25.00 H new ATOM 0 HE1 HIS A 80 1.244 22.324 -16.318 1.00 25.00 H new ATOM 0 HE2 HIS A 80 0.736 23.692 -14.255 1.00 25.00 H new ATOM 1161 N THR A 81 -3.758 17.539 -14.783 1.00 25.00 N ATOM 1162 CA THR A 81 -4.427 16.355 -14.297 1.00 25.00 C ATOM 1163 C THR A 81 -3.405 15.323 -13.844 1.00 25.00 C ATOM 1164 O THR A 81 -2.250 15.323 -14.310 1.00 25.00 O ATOM 1165 CB THR A 81 -5.380 15.811 -15.319 1.00 25.00 C ATOM 1166 OG1 THR A 81 -6.127 16.875 -15.910 1.00 25.00 O ATOM 1167 CG2 THR A 81 -6.380 14.910 -14.764 1.00 25.00 C ATOM 0 H THR A 81 -3.126 17.380 -15.567 1.00 25.00 H new ATOM 0 HA THR A 81 -5.029 16.622 -13.428 1.00 25.00 H new ATOM 0 HB THR A 81 -4.751 15.275 -16.030 1.00 25.00 H new ATOM 0 HG1 THR A 81 -6.844 17.149 -15.301 1.00 25.00 H new ATOM 0 HG21 THR A 81 -7.034 14.556 -15.561 1.00 25.00 H new ATOM 0 HG22 THR A 81 -5.884 14.059 -14.297 1.00 25.00 H new ATOM 0 HG23 THR A 81 -6.972 15.439 -14.017 1.00 25.00 H new ATOM 1175 N PHE A 82 -3.834 14.416 -12.985 1.00 25.00 N ATOM 1176 CA PHE A 82 -2.983 13.396 -12.357 1.00 25.00 C ATOM 1177 C PHE A 82 -3.781 12.112 -12.233 1.00 25.00 C ATOM 1178 O PHE A 82 -4.973 12.198 -12.072 1.00 25.00 O ATOM 1179 CB PHE A 82 -2.617 13.859 -10.934 1.00 25.00 C ATOM 1180 CG PHE A 82 -2.004 15.269 -10.915 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.553 15.404 -10.997 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.795 16.447 -11.007 1.00 50.00 C ATOM 1183 CE1 PHE A 82 0.007 16.641 -11.127 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -2.189 17.724 -11.191 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.787 17.822 -11.255 1.00 25.00 C ATOM 0 H PHE A 82 -4.809 14.359 -12.691 1.00 25.00 H new ATOM 0 HA PHE A 82 -2.085 13.243 -12.955 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.510 13.846 -10.310 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -1.911 13.153 -10.496 1.00 25.00 H new ATOM 0 HD1 PHE A 82 0.076 14.527 -10.955 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.870 16.373 -10.936 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.083 16.730 -11.133 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -2.801 18.609 -11.281 1.00 25.00 H new ATOM 0 HZ PHE A 82 -0.315 18.782 -11.400 1.00 25.00 H new ATOM 1195 N THR A 83 -3.101 10.954 -12.232 1.00 25.00 N ATOM 1196 CA THR A 83 -3.666 9.660 -11.970 1.00 25.00 C ATOM 1197 C THR A 83 -2.755 8.951 -11.133 1.00 25.00 C ATOM 1198 O THR A 83 -1.517 8.929 -11.377 1.00 25.00 O ATOM 1199 CB THR A 83 -3.915 8.921 -13.343 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.662 9.780 -14.251 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.840 7.766 -13.207 1.00 25.00 C ATOM 0 H THR A 83 -2.100 10.914 -12.424 1.00 25.00 H new ATOM 0 HA THR A 83 -4.626 9.730 -11.459 1.00 25.00 H new ATOM 0 HB THR A 83 -2.921 8.636 -13.686 1.00 25.00 H new ATOM 0 HG1 THR A 83 -5.422 10.176 -13.776 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.977 7.293 -14.180 1.00 25.00 H new ATOM 0 HG22 THR A 83 -4.419 7.043 -12.508 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.803 8.113 -12.833 1.00 25.00 H new ATOM 1209 N TRP A 84 -3.299 8.189 -10.190 1.00 25.00 N ATOM 1210 CA TRP A 84 -2.386 7.382 -9.357 1.00 25.00 C ATOM 1211 C TRP A 84 -3.147 6.078 -9.365 1.00 25.00 C ATOM 1212 O TRP A 84 -4.320 6.052 -9.830 1.00 25.00 O ATOM 1213 CB TRP A 84 -2.207 7.826 -7.913 1.00 25.00 C ATOM 1214 CG TRP A 84 -1.564 9.141 -7.614 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -1.166 10.096 -8.538 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -1.328 9.705 -6.354 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -0.786 11.255 -7.903 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -0.781 11.021 -6.563 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -1.270 9.126 -5.074 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -0.353 11.790 -5.501 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -0.895 9.922 -4.049 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -0.502 11.293 -4.220 1.00 25.00 C ATOM 0 H TRP A 84 -4.294 8.106 -9.983 1.00 25.00 H new ATOM 0 HA TRP A 84 -1.367 7.407 -9.742 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -3.194 7.834 -7.451 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -1.624 7.057 -7.406 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -1.156 9.950 -9.608 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -0.549 12.137 -8.358 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -1.516 8.086 -4.917 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 0.090 12.761 -5.667 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -0.890 9.507 -3.052 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -0.326 11.925 -3.362 1.00 25.00 H new ATOM 1233 N THR A 85 -2.510 5.039 -8.916 1.00 25.00 N ATOM 1234 CA THR A 85 -3.173 3.779 -8.494 1.00 25.00 C ATOM 1235 C THR A 85 -2.576 3.449 -7.134 1.00 25.00 C ATOM 1236 O THR A 85 -1.316 3.543 -6.941 1.00 25.00 O ATOM 1237 CB THR A 85 -2.978 2.684 -9.524 1.00 25.00 C ATOM 1238 OG1 THR A 85 -1.602 2.601 -9.956 1.00 25.00 O ATOM 1239 CG2 THR A 85 -3.859 2.773 -10.774 1.00 25.00 C ATOM 0 H THR A 85 -1.495 5.013 -8.820 1.00 25.00 H new ATOM 0 HA THR A 85 -4.255 3.881 -8.416 1.00 25.00 H new ATOM 0 HB THR A 85 -3.286 1.788 -8.984 1.00 25.00 H new ATOM 0 HG1 THR A 85 -1.510 1.885 -10.618 1.00 25.00 H new ATOM 0 HG21 THR A 85 -3.633 1.939 -11.439 1.00 25.00 H new ATOM 0 HG22 THR A 85 -4.909 2.731 -10.483 1.00 25.00 H new ATOM 0 HG23 THR A 85 -3.663 3.712 -11.291 1.00 25.00 H new ATOM 1247 N TYR A 86 -3.392 2.852 -6.261 1.00 25.00 N ATOM 1248 CA TYR A 86 -2.910 2.078 -5.102 1.00 25.00 C ATOM 1249 C TYR A 86 -2.875 0.575 -5.487 1.00 25.00 C ATOM 1250 O TYR A 86 -3.762 0.174 -6.226 1.00 25.00 O ATOM 1251 CB TYR A 86 -3.688 2.395 -3.865 1.00 25.00 C ATOM 1252 CG TYR A 86 -3.251 3.726 -3.232 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -2.496 3.638 -2.067 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -3.514 4.979 -3.829 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -1.979 4.858 -1.475 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -3.111 6.146 -3.177 1.00 25.00 C ATOM 1257 CZ TYR A 86 -2.280 6.077 -2.079 1.00 25.00 C ATOM 1258 OH TYR A 86 -1.665 7.262 -1.665 1.00 25.00 O ATOM 0 H TYR A 86 -4.409 2.889 -6.334 1.00 25.00 H new ATOM 0 HA TYR A 86 -1.890 2.365 -4.846 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -4.750 2.441 -4.107 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -3.560 1.590 -3.141 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -2.298 2.679 -1.611 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -4.022 5.034 -4.781 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -1.372 4.822 -0.582 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -3.452 7.107 -3.534 1.00 25.00 H new ATOM 0 HH TYR A 86 -2.344 7.881 -1.325 1.00 25.00 H new ATOM 1268 N THR A 87 -1.982 -0.242 -4.981 1.00 25.00 N ATOM 1269 CA THR A 87 -2.028 -1.707 -5.222 1.00 25.00 C ATOM 1270 C THR A 87 -2.545 -2.520 -4.018 1.00 25.00 C ATOM 1271 O THR A 87 -3.240 -3.506 -4.216 1.00 25.00 O ATOM 1272 CB THR A 87 -0.629 -2.198 -5.704 1.00 25.00 C ATOM 1273 OG1 THR A 87 -0.676 -3.569 -6.078 1.00 25.00 O ATOM 1274 CG2 THR A 87 0.355 -2.154 -4.519 1.00 25.00 C ATOM 0 H THR A 87 -1.204 0.061 -4.395 1.00 25.00 H new ATOM 0 HA THR A 87 -2.763 -1.886 -6.007 1.00 25.00 H new ATOM 0 HB THR A 87 -0.330 -1.563 -6.538 1.00 25.00 H new ATOM 0 HG1 THR A 87 0.211 -3.857 -6.379 1.00 25.00 H new ATOM 0 HG21 THR A 87 1.336 -2.496 -4.848 1.00 25.00 H new ATOM 0 HG22 THR A 87 0.433 -1.132 -4.148 1.00 25.00 H new ATOM 0 HG23 THR A 87 -0.007 -2.803 -3.721 1.00 25.00 H new ATOM 1282 N ALA A 88 -2.435 -2.015 -2.796 1.00 25.00 N ATOM 1283 CA ALA A 88 -2.992 -2.692 -1.672 1.00 25.00 C ATOM 1284 C ALA A 88 -4.457 -2.420 -1.592 1.00 25.00 C ATOM 1285 O ALA A 88 -4.853 -1.251 -1.839 1.00 25.00 O ATOM 1286 CB ALA A 88 -2.268 -2.328 -0.374 1.00 25.00 C ATOM 0 H ALA A 88 -1.962 -1.138 -2.576 1.00 25.00 H new ATOM 0 HA ALA A 88 -2.851 -3.764 -1.808 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -2.722 -2.865 0.459 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -1.217 -2.605 -0.454 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -2.348 -1.255 -0.201 1.00 25.00 H new ATOM 1292 N PRO A 89 -5.258 -3.405 -1.308 1.00 25.00 N ATOM 1293 CA PRO A 89 -6.689 -3.057 -1.071 1.00 25.00 C ATOM 1294 C PRO A 89 -6.896 -2.236 0.219 1.00 25.00 C ATOM 1295 O PRO A 89 -6.292 -2.471 1.265 1.00 25.00 O ATOM 1296 CB PRO A 89 -7.424 -4.429 -0.954 1.00 25.00 C ATOM 1297 CG PRO A 89 -6.502 -5.388 -1.636 1.00 25.00 C ATOM 1298 CD PRO A 89 -5.117 -4.857 -1.208 1.00 25.00 C ATOM 0 HA PRO A 89 -7.070 -2.433 -1.880 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -7.590 -4.706 0.087 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -8.401 -4.402 -1.437 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -6.665 -6.415 -1.308 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -6.628 -5.375 -2.719 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -4.865 -5.166 -0.194 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -4.326 -5.229 -1.860 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.715 -1.176 0.132 1.00 25.00 N ATOM 1307 CA HIS A 90 -7.709 -0.137 1.146 1.00 25.00 C ATOM 1308 C HIS A 90 -9.113 0.454 1.133 1.00 25.00 C ATOM 1309 O HIS A 90 -9.843 0.257 0.207 1.00 25.00 O ATOM 1310 CB HIS A 90 -6.661 0.931 0.766 1.00 0.00 C ATOM 1311 CG HIS A 90 -5.300 0.777 1.382 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -5.088 0.389 2.674 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -4.062 1.147 0.941 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -3.778 0.567 2.961 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -3.079 1.000 1.882 1.00 0.00 N ATOM 0 H HIS A 90 -8.380 -1.026 -0.627 1.00 25.00 H new ATOM 0 HA HIS A 90 -7.453 -0.515 2.136 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -6.548 0.929 -0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -7.053 1.909 1.044 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -5.796 0.027 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.876 1.520 -0.055 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -3.341 0.386 3.932 1.00 0.00 H new ATOM 1323 N ASN A 91 -9.399 1.268 2.119 1.00 25.00 N ATOM 1324 CA ASN A 91 -10.666 2.030 2.194 1.00 25.00 C ATOM 1325 C ASN A 91 -10.342 3.519 2.410 1.00 25.00 C ATOM 1326 O ASN A 91 -10.146 3.925 3.600 1.00 25.00 O ATOM 1327 CB ASN A 91 -11.548 1.548 3.321 1.00 25.00 C ATOM 1328 CG ASN A 91 -12.921 2.164 3.289 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -13.162 3.206 2.707 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -13.878 1.466 3.808 1.00 25.00 N ATOM 0 H ASN A 91 -8.771 1.436 2.905 1.00 25.00 H new ATOM 0 HA ASN A 91 -11.206 1.881 1.259 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -11.640 0.463 3.266 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -11.072 1.780 4.274 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -14.843 1.787 3.731 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -13.668 0.594 4.294 1.00 25.00 H new ATOM 1337 N THR A 92 -10.291 4.361 1.387 1.00 25.00 N ATOM 1338 CA THR A 92 -9.972 5.726 1.505 1.00 25.00 C ATOM 1339 C THR A 92 -11.050 6.414 2.298 1.00 25.00 C ATOM 1340 O THR A 92 -12.243 6.209 2.109 1.00 25.00 O ATOM 1341 CB THR A 92 -9.853 6.360 0.028 1.00 25.00 C ATOM 1342 OG1 THR A 92 -9.025 5.478 -0.750 1.00 25.00 O ATOM 1343 CG2 THR A 92 -9.302 7.761 0.023 1.00 25.00 C ATOM 0 H THR A 92 -10.482 4.074 0.427 1.00 25.00 H new ATOM 0 HA THR A 92 -9.022 5.857 2.022 1.00 25.00 H new ATOM 0 HB THR A 92 -10.852 6.447 -0.400 1.00 25.00 H new ATOM 0 HG1 THR A 92 -8.090 5.764 -0.684 1.00 25.00 H new ATOM 0 HG21 THR A 92 -9.248 8.127 -1.002 1.00 25.00 H new ATOM 0 HG22 THR A 92 -9.954 8.411 0.607 1.00 25.00 H new ATOM 0 HG23 THR A 92 -8.304 7.761 0.461 1.00 25.00 H new ATOM 1351 N SER A 93 -10.617 7.374 3.115 1.00 25.00 N ATOM 1352 CA SER A 93 -11.484 8.329 3.785 1.00 25.00 C ATOM 1353 C SER A 93 -11.481 9.755 3.234 1.00 25.00 C ATOM 1354 O SER A 93 -12.560 10.311 3.016 1.00 25.00 O ATOM 1355 CB SER A 93 -11.292 8.387 5.269 1.00 25.00 C ATOM 1356 OG SER A 93 -9.986 8.285 5.547 1.00 25.00 O ATOM 0 H SER A 93 -9.629 7.508 3.331 1.00 25.00 H new ATOM 0 HA SER A 93 -12.462 7.906 3.557 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.688 9.323 5.663 1.00 25.00 H new ATOM 0 HB3 SER A 93 -11.843 7.580 5.751 1.00 25.00 H new ATOM 0 HG SER A 93 -9.854 8.324 6.517 1.00 25.00 H new ATOM 1362 N GLN A 94 -10.365 10.375 3.008 1.00 25.00 N ATOM 1363 CA GLN A 94 -10.230 11.678 2.346 1.00 25.00 C ATOM 1364 C GLN A 94 -8.769 11.905 1.871 1.00 25.00 C ATOM 1365 O GLN A 94 -7.928 11.130 2.293 1.00 25.00 O ATOM 1366 CB GLN A 94 -10.537 12.846 3.214 1.00 25.00 C ATOM 1367 CG GLN A 94 -9.684 12.949 4.523 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.253 14.025 5.440 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -10.619 15.122 5.012 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -10.335 13.689 6.701 1.00 25.00 N ATOM 0 H GLN A 94 -9.465 9.984 3.286 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.950 11.629 1.529 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -10.393 13.757 2.633 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -11.591 12.807 3.489 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.678 11.988 5.038 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -8.649 13.184 4.274 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -10.018 12.768 7.005 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -10.716 14.348 7.381 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.486 12.954 1.122 1.00 25.00 N ATOM 1380 CA TRP A 95 -7.125 13.335 0.859 1.00 25.00 C ATOM 1381 C TRP A 95 -6.936 14.825 0.714 1.00 25.00 C ATOM 1382 O TRP A 95 -7.853 15.490 0.292 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.670 12.559 -0.349 1.00 25.00 C ATOM 1384 CG TRP A 95 -7.306 12.781 -1.689 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -7.029 13.791 -2.512 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -8.231 11.954 -2.399 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -7.597 13.689 -3.748 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.323 12.528 -3.740 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -8.900 10.768 -2.155 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -9.126 11.887 -4.718 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -9.700 10.154 -3.193 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -9.820 10.743 -4.421 1.00 25.00 C ATOM 0 H TRP A 95 -9.187 13.554 0.687 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.501 13.086 1.718 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.603 12.746 -0.466 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.784 11.501 -0.112 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -6.405 14.624 -2.224 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -7.500 14.346 -4.523 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -8.825 10.298 -1.185 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.191 12.306 -5.711 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -10.207 9.221 -2.996 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -10.468 10.303 -5.164 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.753 15.317 1.100 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.451 16.779 1.217 1.00 25.00 C ATOM 1405 C HIS A 96 -4.278 17.153 0.360 1.00 25.00 C ATOM 1406 O HIS A 96 -3.430 16.305 0.282 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.054 17.050 2.722 1.00 25.00 C ATOM 1408 CG HIS A 96 -5.951 16.380 3.708 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -7.019 16.987 4.297 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -5.891 15.129 4.279 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.581 16.117 5.119 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -6.914 15.001 5.144 1.00 25.00 N ATOM 0 H HIS A 96 -4.962 14.721 1.345 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.318 17.358 0.901 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.031 16.711 2.886 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.067 18.125 2.904 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -5.147 14.375 4.068 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -8.475 16.308 5.693 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -7.127 14.182 5.713 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.141 18.395 -0.012 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.008 18.798 -0.818 1.00 25.00 C ATOM 1422 C TYR A 97 -2.738 20.272 -0.602 1.00 25.00 C ATOM 1423 O TYR A 97 -3.569 21.148 -0.645 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.208 18.491 -2.310 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.621 18.487 -2.850 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.369 17.290 -2.797 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -5.257 19.624 -3.287 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.727 17.291 -3.188 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -6.643 19.652 -3.633 1.00 25.00 C ATOM 1430 CZ TYR A 97 -7.330 18.448 -3.576 1.00 25.00 C ATOM 1431 OH TYR A 97 -8.664 18.446 -3.943 1.00 25.00 O ATOM 0 H TYR A 97 -4.790 19.145 0.224 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.144 18.215 -0.498 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.634 19.221 -2.881 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.771 17.513 -2.512 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -4.904 16.376 -2.458 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -4.685 20.536 -3.373 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -7.289 16.369 -3.179 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -7.133 20.569 -3.926 1.00 25.00 H new ATOM 0 HH TYR A 97 -8.738 18.285 -4.907 1.00 25.00 H new ATOM 1441 N TYR A 98 -1.463 20.522 -0.299 1.00 25.00 N ATOM 1442 CA TYR A 98 -0.927 21.828 0.216 1.00 25.00 C ATOM 1443 C TYR A 98 0.421 22.104 -0.384 1.00 25.00 C ATOM 1444 O TYR A 98 1.213 21.200 -0.676 1.00 25.00 O ATOM 1445 CB TYR A 98 -0.921 21.919 1.745 1.00 25.00 C ATOM 1446 CG TYR A 98 -0.498 20.691 2.482 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.401 19.660 2.781 1.00 50.00 C ATOM 1448 CD2 TYR A 98 0.842 20.538 2.982 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -1.020 18.514 3.530 1.00 25.00 C ATOM 1450 CE2 TYR A 98 1.207 19.462 3.810 1.00 25.00 C ATOM 1451 CZ TYR A 98 0.268 18.447 4.096 1.00 25.00 C ATOM 1452 OH TYR A 98 0.540 17.386 4.946 1.00 25.00 O ATOM 0 H TYR A 98 -0.736 19.814 -0.401 1.00 25.00 H new ATOM 0 HA TYR A 98 -1.611 22.613 -0.105 1.00 25.00 H new ATOM 0 HB2 TYR A 98 -0.261 22.736 2.036 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -1.925 22.187 2.075 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -2.419 19.740 2.430 1.00 50.00 H new ATOM 0 HD2 TYR A 98 1.589 21.270 2.714 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -1.715 17.698 3.665 1.00 25.00 H new ATOM 0 HE2 TYR A 98 2.202 19.412 4.226 1.00 25.00 H new ATOM 0 HH TYR A 98 1.463 17.454 5.269 1.00 25.00 H new ATOM 1462 N ILE A 99 0.710 23.360 -0.594 1.00 25.00 N ATOM 1463 CA ILE A 99 1.900 23.812 -1.264 1.00 25.00 C ATOM 1464 C ILE A 99 2.604 24.868 -0.435 1.00 25.00 C ATOM 1465 O ILE A 99 1.988 25.425 0.454 1.00 25.00 O ATOM 1466 CB ILE A 99 1.589 24.320 -2.671 1.00 25.00 C ATOM 1467 CG1 ILE A 99 0.624 25.522 -2.620 1.00 25.00 C ATOM 1468 CG2 ILE A 99 1.039 23.142 -3.536 1.00 25.00 C ATOM 1469 CD1 ILE A 99 0.538 26.203 -3.936 1.00 25.00 C ATOM 0 H ILE A 99 0.103 24.123 -0.293 1.00 25.00 H new ATOM 0 HA ILE A 99 2.573 22.962 -1.373 1.00 25.00 H new ATOM 0 HB ILE A 99 2.502 24.683 -3.143 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -0.367 25.183 -2.319 1.00 25.00 H new ATOM 0 HG13 ILE A 99 0.962 26.230 -1.863 1.00 25.00 H new ATOM 0 HG21 ILE A 99 0.816 23.501 -4.541 1.00 25.00 H new ATOM 0 HG22 ILE A 99 1.787 22.351 -3.591 1.00 25.00 H new ATOM 0 HG23 ILE A 99 0.129 22.750 -3.081 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -0.150 27.045 -3.866 1.00 25.00 H new ATOM 0 HD12 ILE A 99 1.525 26.564 -4.224 1.00 25.00 H new ATOM 0 HD13 ILE A 99 0.176 25.500 -4.686 1.00 25.00 H new ATOM 1481 N THR A 100 3.864 25.183 -0.685 1.00 25.00 N ATOM 1482 CA THR A 100 4.510 26.336 -0.013 1.00 25.00 C ATOM 1483 C THR A 100 3.823 27.667 -0.373 1.00 25.00 C ATOM 1484 O THR A 100 3.270 27.727 -1.453 1.00 25.00 O ATOM 1485 CB THR A 100 5.979 26.521 -0.443 1.00 25.00 C ATOM 1486 OG1 THR A 100 6.019 26.382 -1.890 1.00 25.00 O ATOM 1487 CG2 THR A 100 6.926 25.471 0.145 1.00 25.00 C ATOM 0 H THR A 100 4.465 24.676 -1.335 1.00 25.00 H new ATOM 0 HA THR A 100 4.432 26.109 1.050 1.00 25.00 H new ATOM 0 HB THR A 100 6.311 27.495 -0.084 1.00 25.00 H new ATOM 0 HG1 THR A 100 6.747 26.930 -2.251 1.00 25.00 H new ATOM 0 HG21 THR A 100 7.942 25.663 -0.200 1.00 25.00 H new ATOM 0 HG22 THR A 100 6.896 25.523 1.233 1.00 25.00 H new ATOM 0 HG23 THR A 100 6.615 24.478 -0.179 1.00 25.00 H new ATOM 1495 N LYS A 101 3.914 28.734 0.435 1.00 25.00 N ATOM 1496 CA LYS A 101 3.253 30.037 0.130 1.00 25.00 C ATOM 1497 C LYS A 101 4.169 30.951 -0.636 1.00 25.00 C ATOM 1498 O LYS A 101 5.025 31.671 -0.119 1.00 25.00 O ATOM 1499 CB LYS A 101 2.748 30.595 1.403 1.00 25.00 C ATOM 1500 CG LYS A 101 1.798 31.841 1.289 1.00 25.00 C ATOM 1501 CD LYS A 101 1.120 32.158 2.593 1.00 25.00 C ATOM 1502 CE LYS A 101 0.322 33.509 2.658 1.00 25.00 C ATOM 1503 NZ LYS A 101 -0.696 33.605 1.516 1.00 25.00 N1+ ATOM 0 H LYS A 101 4.438 28.732 1.310 1.00 25.00 H new ATOM 0 HA LYS A 101 2.401 29.903 -0.536 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.216 29.806 1.935 1.00 25.00 H new ATOM 0 HB3 LYS A 101 3.604 30.873 2.018 1.00 25.00 H new ATOM 0 HG2 LYS A 101 2.374 32.706 0.961 1.00 25.00 H new ATOM 0 HG3 LYS A 101 1.043 31.652 0.525 1.00 25.00 H new ATOM 0 HD2 LYS A 101 0.433 31.345 2.827 1.00 25.00 H new ATOM 0 HD3 LYS A 101 1.877 32.171 3.377 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -0.193 33.585 3.616 1.00 25.00 H new ATOM 0 HE3 LYS A 101 1.016 34.348 2.602 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -1.404 34.332 1.742 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 -0.206 33.861 0.635 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -1.169 32.687 1.395 1.00 25.00 H new ATOM 1517 N LYS A 102 4.040 31.013 -1.957 1.00 25.00 N ATOM 1518 CA LYS A 102 4.595 32.205 -2.672 1.00 25.00 C ATOM 1519 C LYS A 102 4.037 33.537 -2.174 1.00 25.00 C ATOM 1520 O LYS A 102 2.916 33.539 -1.783 1.00 25.00 O ATOM 1521 CB LYS A 102 4.362 31.978 -4.155 1.00 25.00 C ATOM 1522 CG LYS A 102 5.141 32.985 -5.106 1.00 25.00 C ATOM 1523 CD LYS A 102 5.034 32.650 -6.619 1.00 25.00 C ATOM 1524 CE LYS A 102 3.606 32.589 -7.074 1.00 25.00 C ATOM 1525 NZ LYS A 102 3.544 31.973 -8.421 1.00 25.00 N1+ ATOM 0 H LYS A 102 3.589 30.311 -2.543 1.00 25.00 H new ATOM 0 HA LYS A 102 5.661 32.294 -2.465 1.00 25.00 H new ATOM 0 HB2 LYS A 102 4.659 30.959 -4.405 1.00 25.00 H new ATOM 0 HB3 LYS A 102 3.294 32.058 -4.359 1.00 25.00 H new ATOM 0 HG2 LYS A 102 4.758 33.992 -4.941 1.00 25.00 H new ATOM 0 HG3 LYS A 102 6.193 32.994 -4.822 1.00 25.00 H new ATOM 0 HD2 LYS A 102 5.568 33.404 -7.197 1.00 25.00 H new ATOM 0 HD3 LYS A 102 5.520 31.694 -6.815 1.00 25.00 H new ATOM 0 HE2 LYS A 102 3.013 32.007 -6.368 1.00 25.00 H new ATOM 0 HE3 LYS A 102 3.178 33.591 -7.100 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 2.722 32.347 -8.936 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 4.413 32.198 -8.946 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 3.454 30.941 -8.327 1.00 25.00 H new ATOM 1539 N GLY A 103 4.724 34.637 -2.297 1.00 25.00 N ATOM 1540 CA GLY A 103 4.103 35.889 -1.917 1.00 25.00 C ATOM 1541 C GLY A 103 3.840 36.213 -0.429 1.00 25.00 C ATOM 1542 O GLY A 103 3.167 37.245 -0.156 1.00 25.00 O ATOM 0 H GLY A 103 5.681 34.702 -2.644 1.00 25.00 H new ATOM 0 HA2 GLY A 103 4.724 36.691 -2.316 1.00 25.00 H new ATOM 0 HA3 GLY A 103 3.144 35.942 -2.432 1.00 25.00 H new ATOM 1546 N TRP A 104 4.257 35.332 0.523 1.00 25.00 N ATOM 1547 CA TRP A 104 4.195 35.652 1.965 1.00 25.00 C ATOM 1548 C TRP A 104 4.889 37.004 2.309 1.00 25.00 C ATOM 1549 O TRP A 104 5.535 37.542 1.445 1.00 25.00 O ATOM 1550 CB TRP A 104 4.770 34.460 2.668 1.00 25.00 C ATOM 1551 CG TRP A 104 6.137 33.959 2.186 1.00 25.00 C ATOM 1552 CD1 TRP A 104 6.991 34.531 1.318 1.00 25.00 C ATOM 1553 CD2 TRP A 104 6.767 32.685 2.506 1.00 25.00 C ATOM 1554 NE1 TRP A 104 8.147 33.835 1.168 1.00 25.00 N ATOM 1555 CE2 TRP A 104 8.028 32.615 1.838 1.00 25.00 C ATOM 1556 CE3 TRP A 104 6.321 31.584 3.252 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 8.876 31.538 1.964 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 7.172 30.448 3.327 1.00 25.00 C ATOM 1559 CH2 TRP A 104 8.441 30.426 2.692 1.00 25.00 C ATOM 0 H TRP A 104 4.634 34.408 0.314 1.00 25.00 H new ATOM 0 HA TRP A 104 3.172 35.821 2.300 1.00 25.00 H new ATOM 0 HB2 TRP A 104 4.852 34.699 3.728 1.00 25.00 H new ATOM 0 HB3 TRP A 104 4.058 33.639 2.580 1.00 25.00 H new ATOM 0 HD1 TRP A 104 6.778 35.451 0.794 1.00 25.00 H new ATOM 0 HE1 TRP A 104 8.968 34.151 0.651 1.00 25.00 H new ATOM 0 HE3 TRP A 104 5.364 31.599 3.752 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 9.856 31.551 1.510 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 6.845 29.580 3.881 1.00 25.00 H new ATOM 0 HH2 TRP A 104 9.070 29.552 2.771 1.00 25.00 H new ATOM 1570 N ASP A 105 4.750 37.548 3.493 1.00 25.00 N ATOM 1571 CA ASP A 105 5.406 38.778 3.863 1.00 25.00 C ATOM 1572 C ASP A 105 5.725 38.566 5.338 1.00 25.00 C ATOM 1573 O ASP A 105 4.895 38.049 6.054 1.00 25.00 O ATOM 1574 CB ASP A 105 4.515 40.000 3.648 1.00 25.00 C ATOM 1575 CG ASP A 105 5.205 41.348 3.947 1.00 25.00 C ATOM 1576 OD1 ASP A 105 5.553 42.176 3.038 1.00 25.00 O ATOM 1577 OD2 ASP A 105 5.302 41.629 5.162 1.00 25.00 O1- ATOM 0 H ASP A 105 4.174 37.146 4.233 1.00 25.00 H new ATOM 0 HA ASP A 105 6.288 38.982 3.256 1.00 25.00 H new ATOM 0 HB2 ASP A 105 4.167 40.004 2.615 1.00 25.00 H new ATOM 0 HB3 ASP A 105 3.633 39.908 4.281 1.00 25.00 H new ATOM 1582 N PRO A 106 7.010 38.834 5.741 1.00 25.00 N ATOM 1583 CA PRO A 106 7.447 38.491 7.097 1.00 25.00 C ATOM 1584 C PRO A 106 6.684 39.131 8.215 1.00 25.00 C ATOM 1585 O PRO A 106 6.597 38.544 9.272 1.00 25.00 O ATOM 1586 CB PRO A 106 8.920 38.955 7.168 1.00 25.00 C ATOM 1587 CG PRO A 106 9.041 40.042 6.156 1.00 25.00 C ATOM 1588 CD PRO A 106 8.089 39.563 5.013 1.00 25.00 C ATOM 0 HA PRO A 106 7.286 37.423 7.244 1.00 25.00 H new ATOM 0 HB2 PRO A 106 9.170 39.317 8.165 1.00 25.00 H new ATOM 0 HB3 PRO A 106 9.602 38.134 6.946 1.00 25.00 H new ATOM 0 HG2 PRO A 106 8.733 41.006 6.560 1.00 25.00 H new ATOM 0 HG3 PRO A 106 10.067 40.156 5.806 1.00 25.00 H new ATOM 0 HD2 PRO A 106 7.692 40.403 4.443 1.00 25.00 H new ATOM 0 HD3 PRO A 106 8.606 38.914 4.306 1.00 25.00 H new ATOM 1596 N ASP A 107 6.197 40.325 7.974 1.00 25.00 N ATOM 1597 CA ASP A 107 5.366 41.098 8.953 1.00 25.00 C ATOM 1598 C ASP A 107 3.915 40.578 9.024 1.00 25.00 C ATOM 1599 O ASP A 107 3.048 41.099 9.737 1.00 25.00 O ATOM 1600 CB ASP A 107 5.350 42.582 8.408 1.00 25.00 C ATOM 1601 CG ASP A 107 4.819 43.523 9.476 1.00 25.00 C ATOM 1602 OD1 ASP A 107 4.203 44.581 9.155 1.00 75.00 O ATOM 1603 OD2 ASP A 107 5.135 43.303 10.658 1.00 75.00 O1- ATOM 0 H ASP A 107 6.350 40.818 7.094 1.00 25.00 H new ATOM 0 HA ASP A 107 5.783 41.007 9.956 1.00 25.00 H new ATOM 0 HB2 ASP A 107 6.356 42.882 8.116 1.00 25.00 H new ATOM 0 HB3 ASP A 107 4.727 42.644 7.515 1.00 25.00 H new ATOM 1608 N LYS A 108 3.623 39.586 8.211 1.00 25.00 N ATOM 1609 CA LYS A 108 2.296 38.980 8.079 1.00 25.00 C ATOM 1610 C LYS A 108 2.638 37.480 8.458 1.00 25.00 C ATOM 1611 O LYS A 108 3.798 37.279 8.894 1.00 25.00 O ATOM 1612 CB LYS A 108 1.823 39.328 6.654 1.00 25.00 C ATOM 1613 CG LYS A 108 1.549 40.761 6.410 1.00 25.00 C ATOM 1614 CD LYS A 108 0.692 40.974 5.134 1.00 25.00 C ATOM 1615 CE LYS A 108 0.495 42.466 4.991 1.00 25.00 C ATOM 1616 NZ LYS A 108 -0.518 42.836 3.888 1.00 25.00 N1+ ATOM 0 H LYS A 108 4.318 39.158 7.600 1.00 25.00 H new ATOM 0 HA LYS A 108 1.454 39.297 8.694 1.00 25.00 H new ATOM 0 HB2 LYS A 108 2.582 38.995 5.946 1.00 25.00 H new ATOM 0 HB3 LYS A 108 0.917 38.761 6.441 1.00 25.00 H new ATOM 0 HG2 LYS A 108 1.031 41.184 7.271 1.00 25.00 H new ATOM 0 HG3 LYS A 108 2.491 41.299 6.309 1.00 25.00 H new ATOM 0 HD2 LYS A 108 1.193 40.563 4.257 1.00 25.00 H new ATOM 0 HD3 LYS A 108 -0.267 40.463 5.221 1.00 25.00 H new ATOM 0 HE2 LYS A 108 0.154 42.875 5.942 1.00 25.00 H new ATOM 0 HE3 LYS A 108 1.454 42.934 4.768 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 -0.612 43.870 3.836 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 -0.183 42.472 2.973 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 -1.443 42.415 4.110 1.00 25.00 H new ATOM 1630 N PRO A 109 1.721 36.518 8.415 1.00 25.00 N ATOM 1631 CA PRO A 109 1.922 35.106 8.722 1.00 25.00 C ATOM 1632 C PRO A 109 2.941 34.270 8.056 1.00 25.00 C ATOM 1633 O PRO A 109 2.800 33.028 8.182 1.00 25.00 O ATOM 1634 CB PRO A 109 0.593 34.502 8.379 1.00 25.00 C ATOM 1635 CG PRO A 109 -0.405 35.512 8.527 1.00 25.00 C ATOM 1636 CD PRO A 109 0.278 36.729 8.101 1.00 25.00 C ATOM 0 HA PRO A 109 2.305 35.107 9.743 1.00 25.00 H new ATOM 0 HB2 PRO A 109 0.600 34.121 7.358 1.00 25.00 H new ATOM 0 HB3 PRO A 109 0.379 33.657 9.033 1.00 25.00 H new ATOM 0 HG2 PRO A 109 -1.280 35.306 7.910 1.00 25.00 H new ATOM 0 HG3 PRO A 109 -0.752 35.586 9.558 1.00 25.00 H new ATOM 0 HD2 PRO A 109 0.132 36.907 7.036 1.00 25.00 H new ATOM 0 HD3 PRO A 109 -0.113 37.601 8.626 1.00 25.00 H new ATOM 1644 N LEU A 110 3.961 34.733 7.376 1.00 25.00 N ATOM 1645 CA LEU A 110 4.950 33.869 6.712 1.00 25.00 C ATOM 1646 C LEU A 110 5.569 32.696 7.496 1.00 25.00 C ATOM 1647 O LEU A 110 5.825 31.634 6.907 1.00 25.00 O ATOM 1648 CB LEU A 110 6.028 34.883 6.238 1.00 25.00 C ATOM 1649 CG LEU A 110 7.434 34.440 5.727 1.00 25.00 C ATOM 1650 CD1 LEU A 110 8.082 35.378 4.776 1.00 50.00 C ATOM 1651 CD2 LEU A 110 8.519 34.393 6.973 1.00 50.00 C ATOM 0 H LEU A 110 4.144 35.729 7.257 1.00 25.00 H new ATOM 0 HA LEU A 110 4.446 33.299 5.932 1.00 25.00 H new ATOM 0 HB2 LEU A 110 5.575 35.466 5.436 1.00 25.00 H new ATOM 0 HB3 LEU A 110 6.200 35.565 7.070 1.00 25.00 H new ATOM 0 HG LEU A 110 7.227 33.482 5.251 1.00 25.00 H new ATOM 0 HD11 LEU A 110 9.053 34.982 4.479 1.00 50.00 H new ATOM 0 HD12 LEU A 110 7.453 35.494 3.894 1.00 50.00 H new ATOM 0 HD13 LEU A 110 8.217 36.347 5.256 1.00 50.00 H new ATOM 0 HD21 LEU A 110 9.493 34.082 6.596 1.00 50.00 H new ATOM 0 HD22 LEU A 110 8.603 35.383 7.420 1.00 50.00 H new ATOM 0 HD23 LEU A 110 8.178 33.683 7.726 1.00 50.00 H new ATOM 1663 N LYS A 111 5.895 32.847 8.761 1.00 25.00 N ATOM 1664 CA LYS A 111 6.450 31.684 9.490 1.00 25.00 C ATOM 1665 C LYS A 111 5.335 30.696 9.876 1.00 25.00 C ATOM 1666 O LYS A 111 5.583 29.541 10.052 1.00 25.00 O ATOM 1667 CB LYS A 111 7.083 32.068 10.760 1.00 25.00 C ATOM 1668 CG LYS A 111 8.374 32.754 10.617 1.00 25.00 C ATOM 1669 CD LYS A 111 9.215 32.755 11.912 1.00 25.00 C ATOM 1670 CE LYS A 111 8.524 33.458 13.068 1.00 25.00 C ATOM 1671 NZ LYS A 111 9.348 33.402 14.324 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.800 33.708 9.300 1.00 25.00 H new ATOM 0 HA LYS A 111 7.180 31.242 8.811 1.00 25.00 H new ATOM 0 HB2 LYS A 111 6.401 32.717 11.309 1.00 25.00 H new ATOM 0 HB3 LYS A 111 7.227 31.172 11.364 1.00 25.00 H new ATOM 0 HG2 LYS A 111 8.945 32.275 9.822 1.00 25.00 H new ATOM 0 HG3 LYS A 111 8.197 33.784 10.307 1.00 25.00 H new ATOM 0 HD2 LYS A 111 9.433 31.726 12.198 1.00 25.00 H new ATOM 0 HD3 LYS A 111 10.171 33.241 11.717 1.00 25.00 H new ATOM 0 HE2 LYS A 111 8.336 34.498 12.802 1.00 25.00 H new ATOM 0 HE3 LYS A 111 7.554 32.995 13.248 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 8.845 33.892 15.091 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 9.506 32.410 14.592 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 10.264 33.866 14.159 1.00 25.00 H new ATOM 1685 N ARG A 112 4.068 31.131 9.911 1.00 25.00 N ATOM 1686 CA ARG A 112 2.927 30.226 10.231 1.00 25.00 C ATOM 1687 C ARG A 112 2.329 29.616 8.997 1.00 25.00 C ATOM 1688 O ARG A 112 2.138 28.414 8.886 1.00 25.00 O ATOM 1689 CB ARG A 112 1.890 31.024 10.929 1.00 25.00 C ATOM 1690 CG ARG A 112 0.837 30.248 11.673 1.00 25.00 C ATOM 1691 CD ARG A 112 1.420 29.455 12.904 1.00 25.00 C ATOM 1692 NE ARG A 112 0.349 28.691 13.585 1.00 25.00 N ATOM 1693 CZ ARG A 112 0.543 27.822 14.594 1.00 25.00 C ATOM 1694 NH1 ARG A 112 1.780 27.650 15.071 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -0.470 27.213 15.154 1.00 25.00 N ATOM 0 H ARG A 112 3.796 32.096 9.725 1.00 25.00 H new ATOM 0 HA ARG A 112 3.294 29.411 10.855 1.00 25.00 H new ATOM 0 HB2 ARG A 112 2.388 31.688 11.635 1.00 25.00 H new ATOM 0 HB3 ARG A 112 1.393 31.656 10.193 1.00 25.00 H new ATOM 0 HG2 ARG A 112 0.064 30.934 12.021 1.00 25.00 H new ATOM 0 HG3 ARG A 112 0.357 29.548 10.989 1.00 25.00 H new ATOM 0 HD2 ARG A 112 2.202 28.775 12.568 1.00 25.00 H new ATOM 0 HD3 ARG A 112 1.881 30.150 13.606 1.00 25.00 H new ATOM 0 HE ARG A 112 -0.609 28.835 13.265 1.00 25.00 H new ATOM 0 HH11 ARG A 112 2.558 28.173 14.670 1.00 25.00 H new ATOM 0 HH12 ARG A 112 1.945 26.995 15.836 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -1.419 27.395 14.827 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -0.311 26.556 15.918 1.00 25.00 H new ATOM 1709 N ALA A 113 1.949 30.423 8.026 1.00 25.00 N ATOM 1710 CA ALA A 113 1.379 29.975 6.773 1.00 25.00 C ATOM 1711 C ALA A 113 2.467 29.589 5.806 1.00 25.00 C ATOM 1712 O ALA A 113 2.428 29.881 4.624 1.00 25.00 O ATOM 1713 CB ALA A 113 0.650 31.179 6.237 1.00 25.00 C ATOM 0 H ALA A 113 2.031 31.438 8.090 1.00 25.00 H new ATOM 0 HA ALA A 113 0.735 29.106 6.908 1.00 25.00 H new ATOM 0 HB1 ALA A 113 0.185 30.928 5.284 1.00 25.00 H new ATOM 0 HB2 ALA A 113 -0.119 31.484 6.947 1.00 25.00 H new ATOM 0 HB3 ALA A 113 1.356 31.997 6.092 1.00 25.00 H new ATOM 1719 N ASP A 114 3.477 28.874 6.327 1.00 25.00 N ATOM 1720 CA ASP A 114 4.659 28.416 5.600 1.00 25.00 C ATOM 1721 C ASP A 114 4.304 27.478 4.434 1.00 25.00 C ATOM 1722 O ASP A 114 4.951 27.487 3.364 1.00 25.00 O ATOM 1723 CB ASP A 114 5.548 27.703 6.608 1.00 25.00 C ATOM 1724 CG ASP A 114 6.861 27.258 6.045 1.00 25.00 C ATOM 1725 OD1 ASP A 114 7.199 26.093 6.012 1.00 25.00 O ATOM 1726 OD2 ASP A 114 7.631 28.166 5.655 1.00 25.00 O1- ATOM 0 H ASP A 114 3.487 28.591 7.307 1.00 25.00 H new ATOM 0 HA ASP A 114 5.167 29.270 5.152 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.732 28.368 7.452 1.00 25.00 H new ATOM 0 HB3 ASP A 114 5.017 26.834 6.997 1.00 25.00 H new ATOM 1731 N PHE A 115 3.207 26.756 4.687 1.00 25.00 N ATOM 1732 CA PHE A 115 2.475 25.971 3.724 1.00 25.00 C ATOM 1733 C PHE A 115 0.989 26.453 3.681 1.00 25.00 C ATOM 1734 O PHE A 115 0.331 26.837 4.660 1.00 25.00 O ATOM 1735 CB PHE A 115 2.633 24.507 4.033 1.00 25.00 C ATOM 1736 CG PHE A 115 3.811 23.829 3.374 1.00 25.00 C ATOM 1737 CD1 PHE A 115 5.165 23.937 3.888 1.00 50.00 C ATOM 1738 CD2 PHE A 115 3.609 22.995 2.271 1.00 50.00 C ATOM 1739 CE1 PHE A 115 6.253 23.173 3.326 1.00 25.00 C ATOM 1740 CE2 PHE A 115 4.684 22.183 1.691 1.00 25.00 C ATOM 1741 CZ PHE A 115 6.010 22.286 2.256 1.00 25.00 C ATOM 0 H PHE A 115 2.796 26.710 5.620 1.00 25.00 H new ATOM 0 HA PHE A 115 2.876 26.114 2.721 1.00 25.00 H new ATOM 0 HB2 PHE A 115 2.725 24.389 5.113 1.00 25.00 H new ATOM 0 HB3 PHE A 115 1.722 23.989 3.732 1.00 25.00 H new ATOM 0 HD1 PHE A 115 5.363 24.606 4.712 1.00 50.00 H new ATOM 0 HD2 PHE A 115 2.625 22.947 1.829 1.00 50.00 H new ATOM 0 HE1 PHE A 115 7.251 23.280 3.724 1.00 25.00 H new ATOM 0 HE2 PHE A 115 4.489 21.522 0.859 1.00 25.00 H new ATOM 0 HZ PHE A 115 6.815 21.684 1.859 1.00 25.00 H new ATOM 1751 N GLU A 116 0.430 26.379 2.504 1.00 25.00 N ATOM 1752 CA GLU A 116 -0.924 26.876 2.208 1.00 25.00 C ATOM 1753 C GLU A 116 -1.671 25.755 1.494 1.00 25.00 C ATOM 1754 O GLU A 116 -1.123 25.133 0.555 1.00 25.00 O ATOM 1755 CB GLU A 116 -0.898 28.094 1.357 1.00 25.00 C ATOM 1756 CG GLU A 116 -2.281 28.811 1.159 1.00 25.00 C ATOM 1757 CD GLU A 116 -2.161 30.114 0.384 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -2.036 30.127 -0.907 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -2.139 31.204 1.027 1.00 25.00 O1- ATOM 0 H GLU A 116 0.896 25.967 1.695 1.00 25.00 H new ATOM 0 HA GLU A 116 -1.419 27.156 3.138 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -0.199 28.807 1.794 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -0.506 27.823 0.377 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -2.961 28.141 0.632 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -2.724 29.013 2.134 1.00 25.00 H new ATOM 1766 N LEU A 117 -2.885 25.510 1.962 1.00 25.00 N ATOM 1767 CA LEU A 117 -3.667 24.386 1.501 1.00 25.00 C ATOM 1768 C LEU A 117 -4.070 24.887 0.097 1.00 25.00 C ATOM 1769 O LEU A 117 -4.415 26.071 -0.068 1.00 25.00 O ATOM 1770 CB LEU A 117 -4.832 24.137 2.418 1.00 25.00 C ATOM 1771 CG LEU A 117 -5.693 22.901 2.175 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -5.045 21.666 2.700 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -7.125 22.997 2.766 1.00 50.00 C ATOM 0 H LEU A 117 -3.349 26.083 2.667 1.00 25.00 H new ATOM 0 HA LEU A 117 -3.158 23.422 1.481 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -4.447 24.079 3.436 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -5.483 25.010 2.373 1.00 25.00 H new ATOM 0 HG LEU A 117 -5.786 22.849 1.090 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -5.689 20.808 2.508 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -4.086 21.519 2.203 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -4.886 21.767 3.774 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -7.670 22.078 2.549 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -7.065 23.137 3.845 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -7.647 23.843 2.319 1.00 50.00 H new ATOM 1785 N ILE A 118 -4.088 24.011 -0.918 1.00 25.00 N ATOM 1786 CA ILE A 118 -4.752 24.367 -2.203 1.00 25.00 C ATOM 1787 C ILE A 118 -6.055 23.605 -2.403 1.00 25.00 C ATOM 1788 O ILE A 118 -6.931 24.086 -3.161 1.00 25.00 O ATOM 1789 CB ILE A 118 -3.727 24.285 -3.334 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.166 25.184 -4.471 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.559 22.871 -3.737 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -3.189 25.459 -5.638 1.00 25.00 C ATOM 0 H ILE A 118 -3.670 23.081 -0.890 1.00 25.00 H new ATOM 0 HA ILE A 118 -5.092 25.402 -2.192 1.00 25.00 H new ATOM 0 HB ILE A 118 -2.750 24.641 -3.007 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -5.073 24.755 -4.897 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -4.441 26.147 -4.040 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.829 22.807 -4.544 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.210 22.289 -2.884 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.515 22.475 -4.080 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -3.664 26.120 -6.362 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -2.286 25.932 -5.253 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -2.927 24.518 -6.123 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.218 22.553 -1.572 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.579 21.984 -1.302 1.00 25.00 C ATOM 1806 C GLY A 119 -7.579 20.629 -0.566 1.00 25.00 C ATOM 1807 O GLY A 119 -6.548 20.157 -0.179 1.00 25.00 O ATOM 0 H GLY A 119 -5.455 22.084 -1.084 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.147 22.702 -0.711 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -8.103 21.866 -2.251 1.00 25.00 H new ATOM 1811 N ALA A 120 -8.726 20.000 -0.399 1.00 25.00 N ATOM 1812 CA ALA A 120 -8.825 18.720 0.212 1.00 25.00 C ATOM 1813 C ALA A 120 -10.125 18.157 -0.367 1.00 25.00 C ATOM 1814 O ALA A 120 -10.910 18.985 -0.825 1.00 25.00 O ATOM 1815 CB ALA A 120 -8.952 18.950 1.719 1.00 25.00 C ATOM 0 H ALA A 120 -9.623 20.385 -0.695 1.00 25.00 H new ATOM 0 HA ALA A 120 -7.981 18.052 0.039 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.031 17.990 2.228 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -8.072 19.482 2.081 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -9.844 19.543 1.923 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.289 16.868 -0.455 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.544 16.320 -0.944 1.00 25.00 C ATOM 1823 C VAL A 121 -11.814 15.006 -0.207 1.00 25.00 C ATOM 1824 O VAL A 121 -10.890 14.171 -0.020 1.00 25.00 O ATOM 1825 CB VAL A 121 -11.492 16.178 -2.560 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -10.390 15.250 -2.992 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -12.812 15.780 -3.179 1.00 50.00 C ATOM 0 H VAL A 121 -9.585 16.175 -0.201 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.383 16.984 -0.736 1.00 25.00 H new ATOM 0 HB VAL A 121 -11.274 17.177 -2.937 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -10.382 15.176 -4.079 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -9.432 15.638 -2.647 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -10.557 14.262 -2.563 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -12.699 15.705 -4.261 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -13.125 14.816 -2.779 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -13.565 16.532 -2.944 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.976 14.972 0.465 1.00 25.00 N ATOM 1838 CA PRO A 122 -13.339 13.671 1.066 1.00 25.00 C ATOM 1839 C PRO A 122 -13.838 12.641 0.106 1.00 25.00 C ATOM 1840 O PRO A 122 -14.234 12.950 -1.005 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.228 14.102 2.191 1.00 25.00 C ATOM 1842 CG PRO A 122 -15.031 15.190 1.585 1.00 25.00 C ATOM 1843 CD PRO A 122 -14.015 15.967 0.738 1.00 25.00 C ATOM 0 HA PRO A 122 -12.499 13.082 1.433 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.857 13.285 2.544 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.653 14.454 3.047 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.843 14.795 0.974 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.485 15.824 2.347 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.462 16.345 -0.181 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.617 16.828 1.276 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.840 11.412 0.587 1.00 25.00 N ATOM 1852 CA HIS A 123 -14.209 10.162 -0.100 1.00 25.00 C ATOM 1853 C HIS A 123 -15.161 9.297 0.826 1.00 25.00 C ATOM 1854 O HIS A 123 -14.728 8.328 1.486 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.914 9.351 -0.518 1.00 25.00 C ATOM 1856 CG HIS A 123 -13.183 8.057 -1.267 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -12.902 7.883 -2.629 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -13.687 6.860 -0.855 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -13.244 6.611 -2.953 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -13.712 5.981 -1.880 1.00 25.00 N ATOM 0 H HIS A 123 -13.561 11.234 1.552 1.00 25.00 H new ATOM 0 HA HIS A 123 -14.752 10.405 -1.014 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -12.288 9.990 -1.140 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -12.341 9.121 0.381 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -12.512 8.583 -3.260 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -14.020 6.645 0.150 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -13.150 6.175 -3.937 1.00 25.00 H new ATOM 1868 N ASP A 124 -16.403 9.755 0.953 1.00 25.00 N ATOM 1869 CA ASP A 124 -17.401 9.118 1.807 1.00 25.00 C ATOM 1870 C ASP A 124 -18.025 7.844 1.349 1.00 25.00 C ATOM 1871 O ASP A 124 -18.444 7.078 2.192 1.00 25.00 O ATOM 1872 CB ASP A 124 -18.517 10.092 2.115 1.00 25.00 C ATOM 1873 CG ASP A 124 -19.478 10.201 0.960 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -19.087 10.656 -0.120 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -20.598 9.711 1.104 1.00 50.00 O1- ATOM 0 H ASP A 124 -16.747 10.582 0.465 1.00 25.00 H new ATOM 0 HA ASP A 124 -16.806 8.834 2.675 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -19.052 9.766 3.007 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -18.097 11.073 2.336 1.00 25.00 H new ATOM 1880 N GLY A 125 -18.004 7.669 0.016 1.00 25.00 N ATOM 1881 CA GLY A 125 -18.525 6.378 -0.535 1.00 25.00 C ATOM 1882 C GLY A 125 -18.206 6.282 -2.006 1.00 25.00 C ATOM 1883 O GLY A 125 -17.058 5.967 -2.345 1.00 25.00 O ATOM 0 H GLY A 125 -17.661 8.343 -0.668 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -18.079 5.539 -0.002 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -19.603 6.316 -0.383 1.00 25.00 H new ATOM 1887 N SER A 126 -19.163 6.738 -2.839 1.00 25.00 N ATOM 1888 CA SER A 126 -18.972 6.826 -4.265 1.00 25.00 C ATOM 1889 C SER A 126 -19.160 8.255 -4.847 1.00 25.00 C ATOM 1890 O SER A 126 -20.087 8.496 -5.607 1.00 25.00 O ATOM 1891 CB SER A 126 -19.977 5.810 -4.884 1.00 25.00 C ATOM 1892 OG SER A 126 -19.551 5.494 -6.204 1.00 25.00 O ATOM 0 H SER A 126 -20.081 7.050 -2.524 1.00 25.00 H new ATOM 0 HA SER A 126 -17.938 6.589 -4.515 1.00 25.00 H new ATOM 0 HB2 SER A 126 -20.024 4.907 -4.276 1.00 25.00 H new ATOM 0 HB3 SER A 126 -20.981 6.235 -4.902 1.00 25.00 H new ATOM 0 HG SER A 126 -20.175 4.853 -6.605 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.336 9.242 -4.410 1.00 25.00 N ATOM 1899 CA PRO A 127 -18.539 10.621 -4.930 1.00 25.00 C ATOM 1900 C PRO A 127 -17.783 10.847 -6.250 1.00 25.00 C ATOM 1901 O PRO A 127 -17.368 9.940 -6.970 1.00 25.00 O ATOM 1902 CB PRO A 127 -18.015 11.452 -3.750 1.00 25.00 C ATOM 1903 CG PRO A 127 -16.920 10.674 -3.322 1.00 25.00 C ATOM 1904 CD PRO A 127 -17.203 9.215 -3.490 1.00 25.00 C ATOM 0 HA PRO A 127 -19.563 10.873 -5.204 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -17.712 12.453 -4.056 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -18.764 11.571 -2.967 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -16.032 10.944 -3.893 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -16.704 10.888 -2.275 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -16.351 8.677 -3.905 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -17.454 8.734 -2.544 1.00 25.00 H new ATOM 1912 N ALA A 128 -17.672 12.096 -6.668 1.00 25.00 N ATOM 1913 CA ALA A 128 -16.911 12.367 -7.946 1.00 25.00 C ATOM 1914 C ALA A 128 -15.434 11.922 -7.677 1.00 25.00 C ATOM 1915 O ALA A 128 -14.745 11.391 -8.562 1.00 25.00 O ATOM 1916 CB ALA A 128 -17.048 13.853 -8.367 1.00 25.00 C ATOM 0 H ALA A 128 -18.060 12.915 -6.199 1.00 25.00 H new ATOM 0 HA ALA A 128 -17.310 11.806 -8.791 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -16.492 14.023 -9.289 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -18.100 14.090 -8.529 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -16.649 14.493 -7.580 1.00 25.00 H new ATOM 1922 N SER A 129 -14.993 11.975 -6.411 1.00 25.00 N ATOM 1923 CA SER A 129 -13.652 11.542 -5.919 1.00 25.00 C ATOM 1924 C SER A 129 -13.639 10.049 -5.762 1.00 25.00 C ATOM 1925 O SER A 129 -12.851 9.416 -5.013 1.00 25.00 O ATOM 1926 CB SER A 129 -13.180 12.170 -4.656 1.00 25.00 C ATOM 1927 OG SER A 129 -13.933 11.870 -3.460 1.00 25.00 O ATOM 0 H SER A 129 -15.579 12.336 -5.658 1.00 25.00 H new ATOM 0 HA SER A 129 -12.953 11.887 -6.681 1.00 25.00 H new ATOM 0 HB2 SER A 129 -12.146 11.867 -4.492 1.00 25.00 H new ATOM 0 HB3 SER A 129 -13.178 13.251 -4.794 1.00 25.00 H new ATOM 0 HG SER A 129 -13.729 12.535 -2.770 1.00 25.00 H new ATOM 1933 N ARG A 130 -14.577 9.361 -6.411 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.455 7.903 -6.502 1.00 25.00 C ATOM 1935 C ARG A 130 -13.354 7.706 -7.488 1.00 25.00 C ATOM 1936 O ARG A 130 -12.530 6.796 -7.398 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.756 7.114 -6.881 1.00 25.00 C ATOM 1938 CG ARG A 130 -16.334 7.329 -8.316 1.00 25.00 C ATOM 1939 CD ARG A 130 -17.775 6.865 -8.435 1.00 25.00 C ATOM 1940 NE ARG A 130 -18.327 7.034 -9.792 1.00 25.00 N ATOM 1941 CZ ARG A 130 -19.553 6.662 -10.149 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -20.467 6.048 -9.389 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -19.909 6.993 -11.331 1.00 25.00 N ATOM 0 H ARG A 130 -15.397 9.765 -6.864 1.00 25.00 H new ATOM 0 HA ARG A 130 -14.251 7.482 -5.517 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.554 6.050 -6.755 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -16.532 7.378 -6.162 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -16.273 8.386 -8.575 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -15.720 6.788 -9.037 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -17.837 5.814 -8.153 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -18.389 7.422 -7.727 1.00 25.00 H new ATOM 0 HE ARG A 130 -17.732 7.463 -10.501 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -20.251 5.816 -8.419 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -21.379 5.812 -9.779 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -19.266 7.509 -11.932 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -20.836 6.741 -11.674 1.00 25.00 H new ATOM 1957 N ASN A 131 -13.244 8.707 -8.345 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.046 8.788 -9.162 1.00 25.00 C ATOM 1959 C ASN A 131 -10.945 9.297 -8.251 1.00 25.00 C ATOM 1960 O ASN A 131 -11.083 10.335 -7.572 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.157 9.642 -10.457 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.310 9.164 -11.440 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -13.462 7.956 -11.576 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -14.062 10.062 -11.980 1.00 25.00 N ATOM 0 H ASN A 131 -13.935 9.443 -8.490 1.00 25.00 H new ATOM 0 HA ASN A 131 -11.841 7.793 -9.558 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.334 10.682 -10.182 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.204 9.610 -10.986 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.848 9.783 -12.568 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.871 11.051 -11.819 1.00 25.00 H new ATOM 1971 N LEU A 132 -9.769 8.638 -8.331 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.574 8.973 -7.598 1.00 25.00 C ATOM 1973 C LEU A 132 -7.815 10.012 -8.448 1.00 25.00 C ATOM 1974 O LEU A 132 -7.104 10.890 -7.968 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.648 7.733 -7.505 1.00 25.00 C ATOM 1976 CG LEU A 132 -6.255 7.738 -6.782 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.427 8.379 -5.376 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -5.669 6.322 -6.659 1.00 75.00 C ATOM 0 H LEU A 132 -9.643 7.828 -8.938 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.834 9.330 -6.601 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.236 6.947 -7.031 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -7.459 7.415 -8.530 1.00 25.00 H new ATOM 0 HG LEU A 132 -5.553 8.321 -7.378 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -5.466 8.389 -4.861 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -6.792 9.400 -5.484 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -7.143 7.797 -4.796 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -4.705 6.370 -6.153 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -6.350 5.695 -6.084 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -5.536 5.896 -7.653 1.00 75.00 H new ATOM 1990 N SER A 133 -7.998 9.951 -9.781 1.00 25.00 N ATOM 1991 CA SER A 133 -7.457 10.945 -10.655 1.00 25.00 C ATOM 1992 C SER A 133 -8.232 12.290 -10.505 1.00 25.00 C ATOM 1993 O SER A 133 -9.419 12.315 -10.195 1.00 25.00 O ATOM 1994 CB SER A 133 -7.774 10.438 -12.046 1.00 25.00 C ATOM 1995 OG SER A 133 -7.288 11.304 -13.048 1.00 25.00 O ATOM 0 H SER A 133 -8.521 9.213 -10.252 1.00 25.00 H new ATOM 0 HA SER A 133 -6.399 11.108 -10.449 1.00 25.00 H new ATOM 0 HB2 SER A 133 -7.337 9.448 -12.179 1.00 25.00 H new ATOM 0 HB3 SER A 133 -8.853 10.328 -12.154 1.00 25.00 H new ATOM 0 HG SER A 133 -6.480 11.755 -12.726 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.487 13.360 -10.528 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.036 14.612 -10.061 1.00 25.00 C ATOM 2003 C HIS A 134 -7.357 15.703 -10.853 1.00 25.00 C ATOM 2004 O HIS A 134 -6.208 15.525 -11.372 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.760 14.765 -8.599 1.00 25.00 C ATOM 2006 CG HIS A 134 -8.412 15.944 -7.956 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -9.692 16.215 -7.734 1.00 25.00 N flip ATOM 2008 CD2 HIS A 134 -7.667 16.980 -7.334 1.00 25.00 C flip ATOM 2009 CE1 HIS A 134 -9.733 17.434 -7.127 1.00 25.00 C flip ATOM 2010 NE2 HIS A 134 -8.515 17.880 -6.906 1.00 25.00 N flip ATOM 0 H HIS A 134 -6.522 13.397 -10.855 1.00 25.00 H new ATOM 0 HA HIS A 134 -9.116 14.656 -10.199 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -8.089 13.862 -8.086 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -6.682 14.840 -8.453 1.00 25.00 H new ATOM 0 HD1 HIS A 134 -10.490 15.625 -7.972 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -6.592 17.018 -7.232 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -10.639 17.961 -6.864 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.043 16.815 -10.927 1.00 25.00 N ATOM 2019 CA HIS A 135 -7.495 18.079 -11.472 1.00 25.00 C ATOM 2020 C HIS A 135 -6.996 19.047 -10.447 1.00 25.00 C ATOM 2021 O HIS A 135 -7.736 19.229 -9.476 1.00 25.00 O ATOM 2022 CB HIS A 135 -8.548 18.760 -12.369 1.00 25.00 C ATOM 2023 CG HIS A 135 -9.059 17.795 -13.385 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -8.568 17.787 -14.711 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -10.064 16.898 -13.417 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -9.336 17.014 -15.448 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -10.139 16.383 -14.676 1.00 25.00 N ATOM 0 H HIS A 135 -9.010 16.893 -10.613 1.00 25.00 H new ATOM 0 HA HIS A 135 -6.616 17.791 -12.048 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.373 19.128 -11.759 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.109 19.625 -12.866 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -10.701 16.633 -12.586 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.296 16.926 -16.524 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -10.743 15.612 -14.960 1.00 25.00 H new ATOM 2035 N ILE A 136 -5.907 19.711 -10.698 1.00 25.00 N ATOM 2036 CA ILE A 136 -5.516 20.855 -9.843 1.00 25.00 C ATOM 2037 C ILE A 136 -5.268 22.030 -10.742 1.00 25.00 C ATOM 2038 O ILE A 136 -4.394 21.951 -11.609 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.206 20.631 -9.073 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -4.324 19.449 -8.066 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -3.814 21.895 -8.225 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -5.110 19.637 -6.849 1.00 25.00 C ATOM 0 H ILE A 136 -5.267 19.507 -11.466 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.321 20.999 -9.122 1.00 25.00 H new ATOM 0 HB ILE A 136 -3.453 20.419 -9.832 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -4.745 18.599 -8.603 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -3.314 19.168 -7.767 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -2.882 21.702 -7.693 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.683 22.751 -8.887 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -4.604 22.110 -7.506 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -5.091 18.721 -6.258 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -4.687 20.454 -6.265 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -6.140 19.876 -7.114 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.841 23.187 -10.440 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.519 24.469 -11.074 1.00 25.00 C ATOM 2056 C TYR A 137 -4.348 25.113 -10.297 1.00 25.00 C ATOM 2057 O TYR A 137 -4.355 25.294 -9.113 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.734 25.347 -10.980 1.00 25.00 C ATOM 2059 CG TYR A 137 -6.364 26.668 -11.536 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -6.107 27.783 -10.693 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -6.159 26.878 -12.925 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -5.742 29.074 -11.199 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.781 28.111 -13.447 1.00 25.00 C ATOM 2064 CZ TYR A 137 -5.549 29.162 -12.598 1.00 25.00 C ATOM 2065 OH TYR A 137 -5.008 30.292 -13.119 1.00 25.00 O ATOM 0 H TYR A 137 -6.565 23.267 -9.726 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.235 24.336 -12.118 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.565 24.914 -11.537 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -7.060 25.443 -9.944 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -6.190 27.652 -9.624 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.302 26.049 -13.602 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -5.621 29.929 -10.550 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.671 28.239 -14.514 1.00 25.00 H new ATOM 0 HH TYR A 137 -4.937 30.202 -14.092 1.00 25.00 H new ATOM 2075 N ILE A 138 -3.382 25.488 -11.071 1.00 25.00 N ATOM 2076 CA ILE A 138 -2.201 26.215 -10.576 1.00 25.00 C ATOM 2077 C ILE A 138 -2.336 27.689 -11.075 1.00 25.00 C ATOM 2078 O ILE A 138 -2.454 27.907 -12.243 1.00 25.00 O ATOM 2079 CB ILE A 138 -0.902 25.516 -11.030 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.796 24.049 -10.362 1.00 25.00 C ATOM 2081 CG2 ILE A 138 0.386 26.350 -10.684 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.667 23.943 -8.773 1.00 25.00 C ATOM 0 H ILE A 138 -3.366 25.309 -12.075 1.00 25.00 H new ATOM 0 HA ILE A 138 -2.147 26.218 -9.487 1.00 25.00 H new ATOM 0 HB ILE A 138 -0.952 25.428 -12.115 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -1.679 23.484 -10.661 1.00 25.00 H new ATOM 0 HG13 ILE A 138 0.067 23.547 -10.799 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.270 25.812 -11.025 1.00 25.00 H new ATOM 0 HG22 ILE A 138 0.336 27.319 -11.181 1.00 25.00 H new ATOM 0 HG23 ILE A 138 0.445 26.498 -9.606 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.606 22.894 -8.482 1.00 25.00 H new ATOM 0 HD12 ILE A 138 0.233 24.463 -8.446 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -1.540 24.399 -8.306 1.00 25.00 H new ATOM 2094 N PRO A 139 -2.293 28.731 -10.158 1.00 25.00 N ATOM 2095 CA PRO A 139 -2.338 30.113 -10.687 1.00 25.00 C ATOM 2096 C PRO A 139 -1.055 30.365 -11.421 1.00 25.00 C ATOM 2097 O PRO A 139 0.040 29.788 -11.167 1.00 25.00 O ATOM 2098 CB PRO A 139 -2.425 30.956 -9.400 1.00 25.00 C ATOM 2099 CG PRO A 139 -1.911 30.117 -8.406 1.00 25.00 C ATOM 2100 CD PRO A 139 -2.166 28.735 -8.722 1.00 25.00 C ATOM 0 HA PRO A 139 -3.153 30.328 -11.378 1.00 25.00 H new ATOM 0 HB2 PRO A 139 -1.845 31.875 -9.485 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -3.453 31.247 -9.183 1.00 25.00 H new ATOM 0 HG2 PRO A 139 -0.838 30.280 -8.305 1.00 25.00 H new ATOM 0 HG3 PRO A 139 -2.363 30.365 -7.445 1.00 25.00 H new ATOM 0 HD2 PRO A 139 -1.351 28.091 -8.390 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -3.074 28.375 -8.239 1.00 25.00 H new ATOM 2108 N GLU A 140 -1.229 31.269 -12.409 1.00 25.00 N ATOM 2109 CA GLU A 140 -0.162 31.559 -13.374 1.00 25.00 C ATOM 2110 C GLU A 140 0.326 33.018 -13.291 1.00 25.00 C ATOM 2111 O GLU A 140 0.699 33.692 -14.285 1.00 25.00 O ATOM 2112 CB GLU A 140 -0.728 31.202 -14.753 1.00 25.00 C ATOM 2113 CG GLU A 140 0.308 31.031 -15.908 1.00 25.00 C ATOM 2114 CD GLU A 140 -0.413 30.542 -17.124 1.00 25.00 C ATOM 2115 OE1 GLU A 140 0.278 30.505 -18.158 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -1.595 30.166 -17.118 1.00 25.00 O1- ATOM 0 H GLU A 140 -2.087 31.801 -12.553 1.00 25.00 H new ATOM 0 HA GLU A 140 0.729 30.969 -13.159 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -1.292 30.274 -14.660 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -1.437 31.978 -15.042 1.00 25.00 H new ATOM 0 HG2 GLU A 140 0.802 31.980 -16.117 1.00 25.00 H new ATOM 0 HG3 GLU A 140 1.085 30.324 -15.618 1.00 25.00 H new ATOM 2123 N ASP A 141 0.204 33.517 -12.079 1.00 25.00 N ATOM 2124 CA ASP A 141 0.482 34.936 -11.924 1.00 25.00 C ATOM 2125 C ASP A 141 1.975 35.333 -11.959 1.00 25.00 C ATOM 2126 O ASP A 141 2.260 36.469 -12.313 1.00 25.00 O ATOM 2127 CB ASP A 141 -0.172 35.401 -10.611 1.00 25.00 C ATOM 2128 CG ASP A 141 0.495 34.898 -9.358 1.00 25.00 C ATOM 2129 OD1 ASP A 141 0.829 33.680 -9.311 1.00 50.00 O ATOM 2130 OD2 ASP A 141 0.624 35.699 -8.387 1.00 50.00 O1- ATOM 0 H ASP A 141 -0.066 33.007 -11.238 1.00 25.00 H new ATOM 0 HA ASP A 141 0.061 35.437 -12.795 1.00 25.00 H new ATOM 0 HB2 ASP A 141 -0.177 36.491 -10.590 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -1.213 35.078 -10.606 1.00 25.00 H new ATOM 2135 N ARG A 142 2.812 34.425 -11.562 1.00 25.00 N ATOM 2136 CA ARG A 142 4.252 34.656 -11.446 1.00 25.00 C ATOM 2137 C ARG A 142 4.946 33.278 -11.646 1.00 25.00 C ATOM 2138 O ARG A 142 4.348 32.274 -11.394 1.00 25.00 O ATOM 2139 CB ARG A 142 4.613 35.165 -10.038 1.00 25.00 C ATOM 2140 CG ARG A 142 4.082 36.487 -9.616 1.00 25.00 C ATOM 2141 CD ARG A 142 4.448 36.785 -8.143 1.00 25.00 C ATOM 2142 NE ARG A 142 5.940 36.739 -7.823 1.00 25.00 N ATOM 2143 CZ ARG A 142 6.467 36.695 -6.612 1.00 25.00 C ATOM 2144 NH1 ARG A 142 5.814 36.716 -5.475 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 7.745 36.630 -6.482 1.00 25.00 N ATOM 0 H ARG A 142 2.527 33.481 -11.301 1.00 25.00 H new ATOM 0 HA ARG A 142 4.568 35.397 -12.180 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.271 34.422 -9.317 1.00 25.00 H new ATOM 0 HB3 ARG A 142 5.700 35.203 -9.965 1.00 25.00 H new ATOM 0 HG2 ARG A 142 4.486 37.268 -10.260 1.00 25.00 H new ATOM 0 HG3 ARG A 142 2.999 36.503 -9.736 1.00 25.00 H new ATOM 0 HD2 ARG A 142 4.067 37.773 -7.883 1.00 25.00 H new ATOM 0 HD3 ARG A 142 3.933 36.067 -7.505 1.00 25.00 H new ATOM 0 HE ARG A 142 6.586 36.743 -8.612 1.00 25.00 H new ATOM 0 HH11 ARG A 142 4.795 36.771 -5.473 1.00 25.00 H new ATOM 0 HH12 ARG A 142 6.325 36.677 -4.593 1.00 25.00 H new ATOM 0 HH21 ARG A 142 8.342 36.613 -7.309 1.00 25.00 H new ATOM 0 HH22 ARG A 142 8.162 36.596 -5.552 1.00 25.00 H new ATOM 2159 N LEU A 143 6.237 33.303 -11.899 1.00 25.00 N ATOM 2160 CA LEU A 143 7.081 32.101 -11.843 1.00 25.00 C ATOM 2161 C LEU A 143 7.484 31.898 -10.352 1.00 25.00 C ATOM 2162 O LEU A 143 7.387 32.878 -9.584 1.00 25.00 O ATOM 2163 CB LEU A 143 8.240 32.193 -12.752 1.00 25.00 C ATOM 2164 CG LEU A 143 9.469 33.025 -12.351 1.00 25.00 C ATOM 2165 CD1 LEU A 143 10.678 32.688 -13.319 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.271 34.594 -12.431 1.00 50.00 C ATOM 0 H LEU A 143 6.743 34.152 -12.151 1.00 25.00 H new ATOM 0 HA LEU A 143 6.534 31.227 -12.196 1.00 25.00 H new ATOM 0 HB2 LEU A 143 8.585 31.176 -12.941 1.00 25.00 H new ATOM 0 HB3 LEU A 143 7.877 32.588 -13.701 1.00 25.00 H new ATOM 0 HG LEU A 143 9.652 32.757 -11.310 1.00 25.00 H new ATOM 0 HD11 LEU A 143 11.548 33.279 -13.033 1.00 50.00 H new ATOM 0 HD12 LEU A 143 10.919 31.628 -13.245 1.00 50.00 H new ATOM 0 HD13 LEU A 143 10.399 32.926 -14.346 1.00 50.00 H new ATOM 0 HD21 LEU A 143 10.192 35.093 -12.129 1.00 50.00 H new ATOM 0 HD22 LEU A 143 9.023 34.878 -13.454 1.00 50.00 H new ATOM 0 HD23 LEU A 143 8.462 34.893 -11.765 1.00 50.00 H new ATOM 2178 N GLY A 144 7.866 30.720 -9.950 1.00 25.00 N ATOM 2179 CA GLY A 144 8.333 30.504 -8.561 1.00 25.00 C ATOM 2180 C GLY A 144 8.472 29.091 -8.104 1.00 25.00 C ATOM 2181 O GLY A 144 7.534 28.319 -8.283 1.00 25.00 O ATOM 0 H GLY A 144 7.873 29.886 -10.538 1.00 25.00 H new ATOM 0 HA2 GLY A 144 9.301 30.993 -8.450 1.00 25.00 H new ATOM 0 HA3 GLY A 144 7.641 31.011 -7.889 1.00 25.00 H new ATOM 2185 N TYR A 145 9.684 28.693 -7.670 1.00 25.00 N ATOM 2186 CA TYR A 145 9.878 27.283 -7.246 1.00 25.00 C ATOM 2187 C TYR A 145 9.087 26.886 -5.982 1.00 25.00 C ATOM 2188 O TYR A 145 8.809 27.722 -5.086 1.00 25.00 O ATOM 2189 CB TYR A 145 11.358 26.948 -7.063 1.00 25.00 C ATOM 2190 CG TYR A 145 11.829 26.852 -5.628 1.00 25.00 C ATOM 2191 CD1 TYR A 145 12.245 27.970 -4.950 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.942 25.595 -4.972 1.00 50.00 C ATOM 2193 CE1 TYR A 145 12.851 27.897 -3.679 1.00 25.00 C ATOM 2194 CE2 TYR A 145 12.446 25.554 -3.627 1.00 25.00 C ATOM 2195 CZ TYR A 145 12.917 26.700 -2.992 1.00 25.00 C ATOM 2196 OH TYR A 145 13.425 26.714 -1.694 1.00 25.00 O ATOM 0 H TYR A 145 10.509 29.289 -7.603 1.00 25.00 H new ATOM 0 HA TYR A 145 9.471 26.690 -8.065 1.00 25.00 H new ATOM 0 HB2 TYR A 145 11.562 25.999 -7.559 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.951 27.708 -7.572 1.00 25.00 H new ATOM 0 HD1 TYR A 145 12.103 28.939 -5.405 1.00 50.00 H new ATOM 0 HD2 TYR A 145 11.653 24.685 -5.477 1.00 50.00 H new ATOM 0 HE1 TYR A 145 13.269 28.789 -3.236 1.00 25.00 H new ATOM 0 HE2 TYR A 145 12.460 24.613 -3.097 1.00 25.00 H new ATOM 0 HH TYR A 145 13.413 25.805 -1.328 1.00 25.00 H new ATOM 2206 N HIS A 146 8.522 25.710 -5.970 1.00 25.00 N ATOM 2207 CA HIS A 146 7.561 25.346 -4.910 1.00 25.00 C ATOM 2208 C HIS A 146 7.893 23.930 -4.431 1.00 25.00 C ATOM 2209 O HIS A 146 8.569 23.187 -5.130 1.00 25.00 O ATOM 2210 CB HIS A 146 6.216 25.294 -5.529 1.00 25.00 C ATOM 2211 CG HIS A 146 5.432 26.574 -5.354 1.00 25.00 C ATOM 2212 ND1 HIS A 146 5.512 27.633 -6.188 1.00 25.00 N ATOM 2213 CD2 HIS A 146 4.493 26.913 -4.422 1.00 25.00 C ATOM 2214 CE1 HIS A 146 4.559 28.501 -5.879 1.00 25.00 C ATOM 2215 NE2 HIS A 146 3.961 28.084 -4.793 1.00 25.00 N ATOM 0 H HIS A 146 8.693 24.981 -6.663 1.00 25.00 H new ATOM 0 HA HIS A 146 7.601 26.059 -4.087 1.00 25.00 H new ATOM 0 HB2 HIS A 146 6.320 25.082 -6.593 1.00 25.00 H new ATOM 0 HB3 HIS A 146 5.654 24.468 -5.093 1.00 25.00 H new ATOM 0 HD1 HIS A 146 6.196 27.747 -6.936 1.00 25.00 H new ATOM 0 HD2 HIS A 146 4.228 26.341 -3.545 1.00 25.00 H new ATOM 0 HE1 HIS A 146 4.318 29.398 -6.429 1.00 25.00 H new ATOM 2223 N VAL A 147 7.280 23.509 -3.298 1.00 25.00 N ATOM 2224 CA VAL A 147 7.178 22.069 -2.880 1.00 25.00 C ATOM 2225 C VAL A 147 5.680 21.803 -3.011 1.00 25.00 C ATOM 2226 O VAL A 147 4.899 22.688 -2.651 1.00 25.00 O ATOM 2227 CB VAL A 147 7.516 21.823 -1.371 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.506 20.385 -1.057 1.00 50.00 C ATOM 2229 CG2 VAL A 147 8.857 22.509 -1.004 1.00 50.00 C ATOM 0 H VAL A 147 6.838 24.151 -2.640 1.00 25.00 H new ATOM 0 HA VAL A 147 7.861 21.455 -3.467 1.00 25.00 H new ATOM 0 HB VAL A 147 6.742 22.278 -0.752 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.744 20.241 -0.003 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.518 19.974 -1.266 1.00 50.00 H new ATOM 0 HG13 VAL A 147 8.249 19.874 -1.670 1.00 50.00 H new ATOM 0 HG21 VAL A 147 9.081 22.331 0.048 1.00 50.00 H new ATOM 0 HG22 VAL A 147 9.657 22.098 -1.620 1.00 50.00 H new ATOM 0 HG23 VAL A 147 8.777 23.582 -1.181 1.00 50.00 H new ATOM 2239 N ILE A 148 5.293 20.677 -3.509 1.00 25.00 N ATOM 2240 CA ILE A 148 3.938 20.200 -3.395 1.00 25.00 C ATOM 2241 C ILE A 148 3.865 18.974 -2.458 1.00 25.00 C ATOM 2242 O ILE A 148 4.604 17.986 -2.644 1.00 25.00 O ATOM 2243 CB ILE A 148 3.306 19.811 -4.802 1.00 25.00 C ATOM 2244 CG1 ILE A 148 3.328 20.945 -5.817 1.00 25.00 C ATOM 2245 CG2 ILE A 148 1.858 19.318 -4.654 1.00 25.00 C ATOM 2246 CD1 ILE A 148 2.963 20.577 -7.201 1.00 25.00 C ATOM 0 H ILE A 148 5.912 20.045 -4.017 1.00 25.00 H new ATOM 0 HA ILE A 148 3.360 21.025 -2.979 1.00 25.00 H new ATOM 0 HB ILE A 148 3.942 19.010 -5.178 1.00 25.00 H new ATOM 0 HG12 ILE A 148 2.647 21.725 -5.477 1.00 25.00 H new ATOM 0 HG13 ILE A 148 4.328 21.378 -5.828 1.00 25.00 H new ATOM 0 HG21 ILE A 148 1.459 19.061 -5.635 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.837 18.437 -4.012 1.00 25.00 H new ATOM 0 HG23 ILE A 148 1.249 20.105 -4.209 1.00 25.00 H new ATOM 0 HD11 ILE A 148 3.012 21.461 -7.837 1.00 25.00 H new ATOM 0 HD12 ILE A 148 3.657 19.823 -7.572 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.950 20.176 -7.216 1.00 25.00 H new ATOM 2258 N LEU A 149 2.949 19.059 -1.507 1.00 25.00 N ATOM 2259 CA LEU A 149 2.688 17.938 -0.523 1.00 25.00 C ATOM 2260 C LEU A 149 1.262 17.411 -0.565 1.00 25.00 C ATOM 2261 O LEU A 149 0.387 18.217 -0.685 1.00 25.00 O ATOM 2262 CB LEU A 149 2.865 18.426 0.953 1.00 25.00 C ATOM 2263 CG LEU A 149 3.965 17.915 1.876 1.00 25.00 C ATOM 2264 CD1 LEU A 149 3.746 16.388 2.195 1.00 50.00 C ATOM 2265 CD2 LEU A 149 5.358 18.144 1.281 1.00 50.00 C ATOM 0 H LEU A 149 2.357 19.878 -1.368 1.00 25.00 H new ATOM 0 HA LEU A 149 3.401 17.166 -0.814 1.00 25.00 H new ATOM 0 HB2 LEU A 149 2.979 19.509 0.908 1.00 25.00 H new ATOM 0 HB3 LEU A 149 1.921 18.226 1.459 1.00 25.00 H new ATOM 0 HG LEU A 149 3.908 18.483 2.804 1.00 25.00 H new ATOM 0 HD11 LEU A 149 4.539 16.037 2.855 1.00 50.00 H new ATOM 0 HD12 LEU A 149 2.781 16.253 2.683 1.00 50.00 H new ATOM 0 HD13 LEU A 149 3.766 15.816 1.267 1.00 50.00 H new ATOM 0 HD21 LEU A 149 6.114 17.766 1.969 1.00 50.00 H new ATOM 0 HD22 LEU A 149 5.438 17.618 0.329 1.00 50.00 H new ATOM 0 HD23 LEU A 149 5.514 19.211 1.120 1.00 50.00 H new ATOM 2277 N ALA A 150 1.105 16.109 -0.390 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.244 15.485 -0.300 1.00 25.00 C ATOM 2279 C ALA A 150 -0.320 14.538 0.820 1.00 25.00 C ATOM 2280 O ALA A 150 0.677 14.015 1.235 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.597 14.878 -1.619 1.00 25.00 C ATOM 0 H ALA A 150 1.879 15.450 -0.306 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.991 16.249 -0.082 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.584 14.420 -1.556 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.604 15.653 -2.386 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.140 14.118 -1.878 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.512 14.211 1.268 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.759 13.194 2.309 1.00 25.00 C ATOM 2289 C VAL A 151 -3.038 12.464 1.991 1.00 25.00 C ATOM 2290 O VAL A 151 -4.034 13.084 1.641 1.00 25.00 O ATOM 2291 CB VAL A 151 -2.125 13.906 3.691 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.249 12.763 4.806 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -1.098 14.922 4.123 1.00 50.00 C ATOM 0 H VAL A 151 -2.367 14.645 0.921 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.873 12.561 2.359 1.00 25.00 H new ATOM 0 HB VAL A 151 -3.060 14.451 3.559 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.499 13.216 5.765 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -3.032 12.061 4.521 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.300 12.233 4.891 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.405 15.370 5.068 1.00 50.00 H new ATOM 0 HG22 VAL A 151 -0.133 14.432 4.250 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -1.013 15.699 3.364 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.882 11.162 1.931 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.952 10.231 1.520 1.00 25.00 C ATOM 2305 C TRP A 152 -4.364 9.625 2.887 1.00 25.00 C ATOM 2306 O TRP A 152 -3.540 8.879 3.478 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.481 9.277 0.469 1.00 25.00 C ATOM 2308 CG TRP A 152 -4.491 8.442 -0.251 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -5.266 8.801 -1.325 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -4.797 7.102 -0.030 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -6.039 7.800 -1.716 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -5.630 6.646 -1.065 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -4.271 6.141 0.880 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -5.885 5.299 -1.315 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -4.599 4.803 0.705 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -5.440 4.372 -0.367 1.00 25.00 C ATOM 0 H TRP A 152 -2.005 10.696 2.165 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.810 10.673 1.013 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.936 9.853 -0.279 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -2.765 8.600 0.935 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.248 9.775 -1.791 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -6.807 7.866 -2.384 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -3.628 6.447 1.692 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -6.406 4.983 -2.207 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -4.209 4.070 1.396 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -5.731 3.335 -0.445 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.565 9.882 3.418 1.00 25.00 N ATOM 2328 CA ASP A 153 -6.000 9.277 4.717 1.00 25.00 C ATOM 2329 C ASP A 153 -6.921 8.101 4.359 1.00 25.00 C ATOM 2330 O ASP A 153 -7.788 8.216 3.478 1.00 25.00 O ATOM 2331 CB ASP A 153 -6.861 10.257 5.554 1.00 25.00 C ATOM 2332 CG ASP A 153 -6.058 11.305 6.298 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -5.034 11.044 6.986 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -6.511 12.511 6.186 1.00 25.00 O1- ATOM 0 H ASP A 153 -6.257 10.495 2.987 1.00 25.00 H new ATOM 0 HA ASP A 153 -5.115 9.000 5.290 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -7.568 10.758 4.893 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.447 9.685 6.273 1.00 25.00 H new ATOM 2339 N VAL A 154 -6.652 6.992 5.023 1.00 25.00 N ATOM 2340 CA VAL A 154 -7.269 5.724 4.675 1.00 25.00 C ATOM 2341 C VAL A 154 -7.655 4.967 5.949 1.00 25.00 C ATOM 2342 O VAL A 154 -6.858 4.852 6.855 1.00 25.00 O ATOM 2343 CB VAL A 154 -6.197 5.006 3.825 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -4.784 5.207 4.415 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -6.482 3.605 3.649 1.00 50.00 C ATOM 0 H VAL A 154 -6.006 6.943 5.811 1.00 25.00 H new ATOM 0 HA VAL A 154 -8.200 5.816 4.115 1.00 25.00 H new ATOM 0 HB VAL A 154 -6.225 5.467 2.837 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.053 4.689 3.794 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -4.549 6.271 4.442 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -4.751 4.803 5.427 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -5.699 3.147 3.045 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -6.521 3.117 4.623 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -7.442 3.489 3.146 1.00 50.00 H new ATOM 2355 N ALA A 155 -8.893 4.521 6.020 1.00 25.00 N ATOM 2356 CA ALA A 155 -9.464 4.195 7.320 1.00 25.00 C ATOM 2357 C ALA A 155 -9.144 2.755 7.791 1.00 25.00 C ATOM 2358 O ALA A 155 -9.206 2.476 8.990 1.00 25.00 O ATOM 2359 CB ALA A 155 -10.962 4.311 7.245 1.00 25.00 C ATOM 0 H ALA A 155 -9.511 4.378 5.221 1.00 25.00 H new ATOM 0 HA ALA A 155 -9.022 4.895 8.030 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -11.395 4.068 8.215 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -11.235 5.330 6.971 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -11.343 3.619 6.494 1.00 25.00 H new ATOM 2365 N ASP A 156 -8.756 1.888 6.903 1.00 25.00 N ATOM 2366 CA ASP A 156 -8.587 0.452 7.202 1.00 25.00 C ATOM 2367 C ASP A 156 -7.231 0.042 7.775 1.00 25.00 C ATOM 2368 O ASP A 156 -6.952 -1.128 7.899 1.00 25.00 O ATOM 2369 CB ASP A 156 -8.899 -0.342 5.955 1.00 25.00 C ATOM 2370 CG ASP A 156 -7.751 -0.274 4.969 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -6.902 -1.198 4.913 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -7.649 0.694 4.204 1.00 25.00 O1- ATOM 0 H ASP A 156 -8.540 2.135 5.937 1.00 25.00 H new ATOM 0 HA ASP A 156 -9.286 0.231 8.008 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -9.095 -1.381 6.220 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -9.806 0.045 5.490 1.00 25.00 H new ATOM 2377 N THR A 157 -6.389 1.049 7.987 1.00 25.00 N ATOM 2378 CA THR A 157 -5.084 0.888 8.536 1.00 25.00 C ATOM 2379 C THR A 157 -4.824 2.089 9.430 1.00 25.00 C ATOM 2380 O THR A 157 -5.520 3.093 9.274 1.00 25.00 O ATOM 2381 CB THR A 157 -4.117 0.751 7.395 1.00 25.00 C ATOM 2382 OG1 THR A 157 -2.771 0.747 7.846 1.00 25.00 O ATOM 2383 CG2 THR A 157 -4.208 1.852 6.346 1.00 25.00 C ATOM 0 H THR A 157 -6.620 2.018 7.769 1.00 25.00 H new ATOM 0 HA THR A 157 -4.973 -0.006 9.149 1.00 25.00 H new ATOM 0 HB THR A 157 -4.403 -0.197 6.940 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.224 0.207 7.238 1.00 25.00 H new ATOM 0 HG21 THR A 157 -3.473 1.669 5.562 1.00 25.00 H new ATOM 0 HG22 THR A 157 -5.208 1.859 5.912 1.00 25.00 H new ATOM 0 HG23 THR A 157 -4.009 2.817 6.813 1.00 25.00 H new ATOM 2391 N GLU A 158 -3.920 2.007 10.358 1.00 25.00 N ATOM 2392 CA GLU A 158 -3.574 3.140 11.281 1.00 25.00 C ATOM 2393 C GLU A 158 -2.603 4.095 10.601 1.00 25.00 C ATOM 2394 O GLU A 158 -2.387 5.188 11.093 1.00 25.00 O ATOM 2395 CB GLU A 158 -2.841 2.585 12.473 1.00 25.00 C ATOM 2396 CG GLU A 158 -3.842 1.993 13.411 1.00 25.00 C ATOM 2397 CD GLU A 158 -3.265 1.457 14.686 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -4.029 1.034 15.608 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -1.971 1.407 14.772 1.00 25.00 O1- ATOM 0 H GLU A 158 -3.375 1.162 10.529 1.00 25.00 H new ATOM 0 HA GLU A 158 -4.496 3.651 11.559 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -2.123 1.828 12.158 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -2.275 3.373 12.970 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -4.584 2.753 13.655 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -4.367 1.187 12.899 1.00 25.00 H new ATOM 2406 N ASN A 159 -2.111 3.717 9.419 1.00 25.00 N ATOM 2407 CA ASN A 159 -1.163 4.542 8.679 1.00 25.00 C ATOM 2408 C ASN A 159 -1.991 5.530 7.850 1.00 25.00 C ATOM 2409 O ASN A 159 -3.149 5.300 7.609 1.00 25.00 O ATOM 2410 CB ASN A 159 -0.344 3.747 7.675 1.00 25.00 C ATOM 2411 CG ASN A 159 0.553 2.781 8.351 1.00 25.00 C ATOM 2412 OD1 ASN A 159 1.496 3.190 9.009 1.00 25.00 O ATOM 2413 ND2 ASN A 159 0.278 1.544 8.186 1.00 25.00 N ATOM 0 H ASN A 159 -2.356 2.842 8.956 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.487 5.003 9.399 1.00 25.00 H new ATOM 0 HB2 ASN A 159 -1.013 3.213 6.999 1.00 25.00 H new ATOM 0 HB3 ASN A 159 0.248 4.429 7.065 1.00 25.00 H new ATOM 0 HD21 ASN A 159 0.864 0.829 8.618 1.00 25.00 H new ATOM 0 HD22 ASN A 159 -0.527 1.271 7.622 1.00 25.00 H new ATOM 2420 N ALA A 160 -1.381 6.578 7.356 1.00 25.00 N ATOM 2421 CA ALA A 160 -1.885 7.461 6.309 1.00 25.00 C ATOM 2422 C ALA A 160 -0.675 7.529 5.332 1.00 25.00 C ATOM 2423 O ALA A 160 0.519 7.452 5.769 1.00 25.00 O ATOM 2424 CB ALA A 160 -2.249 8.875 6.835 1.00 25.00 C ATOM 0 H ALA A 160 -0.460 6.864 7.689 1.00 25.00 H new ATOM 0 HA ALA A 160 -2.810 7.097 5.862 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -2.618 9.486 6.011 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -3.022 8.791 7.599 1.00 25.00 H new ATOM 0 HB3 ALA A 160 -1.363 9.342 7.265 1.00 25.00 H new ATOM 2430 N PHE A 161 -0.933 7.691 4.033 1.00 25.00 N ATOM 2431 CA PHE A 161 0.196 7.619 3.009 1.00 25.00 C ATOM 2432 C PHE A 161 0.521 9.093 2.607 1.00 25.00 C ATOM 2433 O PHE A 161 -0.393 9.896 2.466 1.00 25.00 O ATOM 2434 CB PHE A 161 -0.236 6.720 1.862 1.00 25.00 C ATOM 2435 CG PHE A 161 -0.242 5.239 2.290 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -1.290 4.649 2.977 1.00 50.00 C ATOM 2437 CD2 PHE A 161 0.918 4.471 2.111 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -1.178 3.304 3.514 1.00 25.00 C ATOM 2439 CE2 PHE A 161 1.001 3.117 2.628 1.00 25.00 C ATOM 2440 CZ PHE A 161 -0.034 2.560 3.292 1.00 25.00 C ATOM 0 H PHE A 161 -1.859 7.867 3.643 1.00 25.00 H new ATOM 0 HA PHE A 161 1.113 7.170 3.392 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -1.232 7.008 1.525 1.00 25.00 H new ATOM 0 HB3 PHE A 161 0.438 6.855 1.016 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -2.209 5.200 3.116 1.00 50.00 H new ATOM 0 HD2 PHE A 161 1.760 4.892 1.582 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -1.991 2.884 4.088 1.00 25.00 H new ATOM 0 HE2 PHE A 161 1.906 2.546 2.479 1.00 25.00 H new ATOM 0 HZ PHE A 161 0.031 1.542 3.647 1.00 25.00 H new ATOM 2450 N TYR A 162 1.790 9.421 2.458 1.00 25.00 N ATOM 2451 CA TYR A 162 2.285 10.779 2.231 1.00 25.00 C ATOM 2452 C TYR A 162 2.960 10.828 0.849 1.00 25.00 C ATOM 2453 O TYR A 162 3.340 9.739 0.302 1.00 25.00 O ATOM 2454 CB TYR A 162 3.256 11.272 3.299 1.00 25.00 C ATOM 2455 CG TYR A 162 2.524 11.784 4.509 1.00 25.00 C ATOM 2456 CD1 TYR A 162 1.863 10.833 5.309 1.00 50.00 C ATOM 2457 CD2 TYR A 162 2.571 13.119 4.943 1.00 50.00 C ATOM 2458 CE1 TYR A 162 1.196 11.251 6.467 1.00 25.00 C ATOM 2459 CE2 TYR A 162 1.871 13.528 6.069 1.00 25.00 C ATOM 2460 CZ TYR A 162 1.178 12.624 6.780 1.00 25.00 C ATOM 2461 OH TYR A 162 0.471 12.998 7.825 1.00 25.00 O ATOM 0 H TYR A 162 2.538 8.728 2.492 1.00 25.00 H new ATOM 0 HA TYR A 162 1.425 11.447 2.281 1.00 25.00 H new ATOM 0 HB2 TYR A 162 3.922 10.460 3.591 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.881 12.064 2.887 1.00 25.00 H new ATOM 0 HD1 TYR A 162 1.870 9.789 5.032 1.00 50.00 H new ATOM 0 HD2 TYR A 162 3.160 13.837 4.392 1.00 50.00 H new ATOM 0 HE1 TYR A 162 0.705 10.534 7.108 1.00 25.00 H new ATOM 0 HE2 TYR A 162 1.883 14.565 6.371 1.00 25.00 H new ATOM 0 HH TYR A 162 0.540 13.969 7.936 1.00 25.00 H new ATOM 2471 N GLN A 163 2.995 11.981 0.206 1.00 25.00 N ATOM 2472 CA GLN A 163 3.587 12.139 -1.081 1.00 25.00 C ATOM 2473 C GLN A 163 4.177 13.525 -1.205 1.00 25.00 C ATOM 2474 O GLN A 163 3.575 14.527 -0.795 1.00 25.00 O ATOM 2475 CB GLN A 163 2.456 12.013 -2.120 1.00 25.00 C ATOM 2476 CG GLN A 163 2.827 12.241 -3.513 1.00 25.00 C ATOM 2477 CD GLN A 163 3.569 11.128 -4.146 1.00 25.00 C ATOM 2478 OE1 GLN A 163 4.782 11.231 -4.270 1.00 25.00 O ATOM 2479 NE2 GLN A 163 2.957 10.102 -4.499 1.00 25.00 N ATOM 0 H GLN A 163 2.601 12.842 0.584 1.00 25.00 H new ATOM 0 HA GLN A 163 4.368 11.394 -1.232 1.00 25.00 H new ATOM 0 HB2 GLN A 163 2.028 11.014 -2.040 1.00 25.00 H new ATOM 0 HB3 GLN A 163 1.669 12.719 -1.856 1.00 25.00 H new ATOM 0 HG2 GLN A 163 1.922 12.430 -4.090 1.00 25.00 H new ATOM 0 HG3 GLN A 163 3.435 13.144 -3.570 1.00 25.00 H new ATOM 0 HE21 GLN A 163 1.945 10.046 -4.383 1.00 25.00 H new ATOM 0 HE22 GLN A 163 3.468 9.318 -4.904 1.00 25.00 H new ATOM 2488 N VAL A 164 5.368 13.625 -1.797 1.00 25.00 N ATOM 2489 CA VAL A 164 5.969 14.992 -2.019 1.00 25.00 C ATOM 2490 C VAL A 164 6.574 14.976 -3.413 1.00 25.00 C ATOM 2491 O VAL A 164 7.144 13.965 -3.846 1.00 25.00 O ATOM 2492 CB VAL A 164 7.033 15.375 -0.876 1.00 25.00 C ATOM 2493 CG1 VAL A 164 8.197 14.278 -0.847 1.00 75.00 C ATOM 2494 CG2 VAL A 164 7.523 16.792 -1.176 1.00 75.00 C ATOM 0 H VAL A 164 5.929 12.839 -2.125 1.00 25.00 H new ATOM 0 HA VAL A 164 5.209 15.770 -1.951 1.00 25.00 H new ATOM 0 HB VAL A 164 6.599 15.372 0.124 1.00 25.00 H new ATOM 0 HG11 VAL A 164 8.920 14.535 -0.073 1.00 75.00 H new ATOM 0 HG12 VAL A 164 7.769 13.299 -0.633 1.00 75.00 H new ATOM 0 HG13 VAL A 164 8.696 14.252 -1.816 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.250 17.093 -0.421 1.00 75.00 H new ATOM 0 HG22 VAL A 164 7.991 16.814 -2.160 1.00 75.00 H new ATOM 0 HG23 VAL A 164 6.678 17.480 -1.161 1.00 75.00 H new ATOM 2504 N ILE A 165 6.464 16.097 -4.139 1.00 25.00 N ATOM 2505 CA ILE A 165 7.097 16.315 -5.414 1.00 25.00 C ATOM 2506 C ILE A 165 7.651 17.743 -5.319 1.00 25.00 C ATOM 2507 O ILE A 165 6.893 18.657 -5.029 1.00 25.00 O ATOM 2508 CB ILE A 165 6.105 16.162 -6.600 1.00 25.00 C ATOM 2509 CG1 ILE A 165 5.193 14.931 -6.602 1.00 25.00 C ATOM 2510 CG2 ILE A 165 6.836 16.219 -7.920 1.00 25.00 C ATOM 2511 CD1 ILE A 165 3.878 15.275 -7.299 1.00 25.00 C ATOM 0 H ILE A 165 5.909 16.895 -3.830 1.00 25.00 H new ATOM 0 HA ILE A 165 7.874 15.577 -5.613 1.00 25.00 H new ATOM 0 HB ILE A 165 5.435 17.010 -6.457 1.00 25.00 H new ATOM 0 HG12 ILE A 165 5.683 14.103 -7.114 1.00 25.00 H new ATOM 0 HG13 ILE A 165 5.001 14.605 -5.580 1.00 25.00 H new ATOM 0 HG21 ILE A 165 6.122 16.110 -8.736 1.00 25.00 H new ATOM 0 HG22 ILE A 165 7.348 17.177 -8.011 1.00 25.00 H new ATOM 0 HG23 ILE A 165 7.567 15.411 -7.967 1.00 25.00 H new ATOM 0 HD11 ILE A 165 3.228 14.400 -7.301 1.00 25.00 H new ATOM 0 HD12 ILE A 165 3.387 16.091 -6.768 1.00 25.00 H new ATOM 0 HD13 ILE A 165 4.079 15.580 -8.326 1.00 25.00 H new ATOM 2523 N ASP A 166 8.935 17.902 -5.600 1.00 25.00 N ATOM 2524 CA ASP A 166 9.512 19.247 -5.565 1.00 25.00 C ATOM 2525 C ASP A 166 9.297 19.777 -6.978 1.00 25.00 C ATOM 2526 O ASP A 166 9.215 18.994 -7.888 1.00 25.00 O ATOM 2527 CB ASP A 166 11.014 19.217 -5.162 1.00 25.00 C ATOM 2528 CG ASP A 166 11.247 19.165 -3.633 1.00 25.00 C ATOM 2529 OD1 ASP A 166 10.811 20.102 -2.970 1.00 25.00 O ATOM 2530 OD2 ASP A 166 11.781 18.183 -3.112 1.00 25.00 O1- ATOM 0 H ASP A 166 9.581 17.152 -5.846 1.00 25.00 H new ATOM 0 HA ASP A 166 9.046 19.887 -4.816 1.00 25.00 H new ATOM 0 HB2 ASP A 166 11.487 18.350 -5.622 1.00 25.00 H new ATOM 0 HB3 ASP A 166 11.507 20.101 -5.566 1.00 25.00 H new ATOM 2535 N VAL A 167 9.057 21.052 -7.121 1.00 25.00 N ATOM 2536 CA VAL A 167 8.620 21.573 -8.452 1.00 25.00 C ATOM 2537 C VAL A 167 9.043 22.976 -8.725 1.00 25.00 C ATOM 2538 O VAL A 167 9.354 23.703 -7.810 1.00 25.00 O ATOM 2539 CB VAL A 167 7.034 21.586 -8.641 1.00 25.00 C ATOM 2540 CG1 VAL A 167 6.523 20.171 -8.797 1.00 50.00 C ATOM 2541 CG2 VAL A 167 6.350 22.302 -7.494 1.00 50.00 C ATOM 0 H VAL A 167 9.143 21.751 -6.383 1.00 25.00 H new ATOM 0 HA VAL A 167 9.104 20.876 -9.136 1.00 25.00 H new ATOM 0 HB VAL A 167 6.795 22.140 -9.549 1.00 25.00 H new ATOM 0 HG11 VAL A 167 5.441 20.187 -8.925 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.985 19.711 -9.671 1.00 50.00 H new ATOM 0 HG13 VAL A 167 6.774 19.593 -7.907 1.00 50.00 H new ATOM 0 HG21 VAL A 167 5.271 22.294 -7.652 1.00 50.00 H new ATOM 0 HG22 VAL A 167 6.584 21.795 -6.558 1.00 50.00 H new ATOM 0 HG23 VAL A 167 6.702 23.332 -7.447 1.00 50.00 H new ATOM 2551 N ASP A 168 9.132 23.357 -9.985 1.00 25.00 N ATOM 2552 CA ASP A 168 9.376 24.733 -10.326 1.00 25.00 C ATOM 2553 C ASP A 168 8.188 25.147 -11.200 1.00 25.00 C ATOM 2554 O ASP A 168 8.093 24.737 -12.329 1.00 25.00 O ATOM 2555 CB ASP A 168 10.721 24.831 -11.021 1.00 25.00 C ATOM 2556 CG ASP A 168 11.190 26.255 -11.192 1.00 25.00 C ATOM 2557 OD1 ASP A 168 12.248 26.302 -11.768 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.565 27.274 -10.776 1.00 25.00 O1- ATOM 0 H ASP A 168 9.038 22.729 -10.784 1.00 25.00 H new ATOM 0 HA ASP A 168 9.439 25.405 -9.470 1.00 25.00 H new ATOM 0 HB2 ASP A 168 11.463 24.276 -10.447 1.00 25.00 H new ATOM 0 HB3 ASP A 168 10.654 24.356 -12.000 1.00 25.00 H new ATOM 2563 N LEU A 169 7.220 25.832 -10.616 1.00 25.00 N ATOM 2564 CA LEU A 169 5.987 26.193 -11.346 1.00 25.00 C ATOM 2565 C LEU A 169 6.320 27.497 -11.962 1.00 25.00 C ATOM 2566 O LEU A 169 6.698 28.421 -11.255 1.00 25.00 O ATOM 2567 CB LEU A 169 4.863 26.300 -10.290 1.00 25.00 C ATOM 2568 CG LEU A 169 4.391 25.114 -9.397 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.277 25.672 -8.471 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.936 23.948 -10.214 1.00 50.00 C ATOM 0 H LEU A 169 7.250 26.153 -9.648 1.00 25.00 H new ATOM 0 HA LEU A 169 5.655 25.487 -12.107 1.00 25.00 H new ATOM 0 HB2 LEU A 169 5.162 27.095 -9.607 1.00 25.00 H new ATOM 0 HB3 LEU A 169 3.979 26.652 -10.821 1.00 25.00 H new ATOM 0 HG LEU A 169 5.214 24.724 -8.798 1.00 25.00 H new ATOM 0 HD11 LEU A 169 2.911 24.876 -7.822 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.681 26.480 -7.862 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.455 26.052 -9.078 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.615 23.143 -9.552 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.102 24.251 -10.848 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.758 23.598 -10.839 1.00 50.00 H new ATOM 2582 N VAL A 170 6.253 27.612 -13.284 1.00 25.00 N ATOM 2583 CA VAL A 170 6.745 28.802 -13.997 1.00 25.00 C ATOM 2584 C VAL A 170 5.811 29.430 -15.030 1.00 25.00 C ATOM 2585 O VAL A 170 4.826 28.804 -15.449 1.00 25.00 O ATOM 2586 CB VAL A 170 8.048 28.565 -14.755 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.130 28.032 -13.795 1.00 50.00 C ATOM 2588 CG2 VAL A 170 7.960 27.562 -15.882 1.00 50.00 C ATOM 0 H VAL A 170 5.861 26.894 -13.894 1.00 25.00 H new ATOM 0 HA VAL A 170 6.858 29.481 -13.152 1.00 25.00 H new ATOM 0 HB VAL A 170 8.288 29.539 -15.181 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.056 27.866 -14.346 1.00 50.00 H new ATOM 0 HG12 VAL A 170 9.305 28.760 -13.003 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.796 27.092 -13.356 1.00 50.00 H new ATOM 0 HG21 VAL A 170 8.935 27.463 -16.358 1.00 50.00 H new ATOM 0 HG22 VAL A 170 7.651 26.595 -15.485 1.00 50.00 H new ATOM 0 HG23 VAL A 170 7.230 27.903 -16.616 1.00 50.00 H new ATOM 2598 N ASN A 171 6.143 30.640 -15.436 1.00 25.00 N ATOM 2599 CA ASN A 171 5.403 31.277 -16.490 1.00 25.00 C ATOM 2600 C ASN A 171 6.192 31.116 -17.799 1.00 25.00 C ATOM 2601 O ASN A 171 7.412 30.915 -17.753 1.00 25.00 O ATOM 2602 CB ASN A 171 5.107 32.783 -16.142 1.00 25.00 C ATOM 2603 CG ASN A 171 4.062 32.937 -15.104 1.00 25.00 C ATOM 2604 OD1 ASN A 171 3.427 32.025 -14.623 1.00 25.00 O ATOM 2605 ND2 ASN A 171 3.790 34.190 -14.814 1.00 25.00 N ATOM 0 H ASN A 171 6.912 31.190 -15.053 1.00 25.00 H new ATOM 0 HA ASN A 171 4.429 30.803 -16.609 1.00 25.00 H new ATOM 0 HB2 ASN A 171 6.026 33.259 -15.800 1.00 25.00 H new ATOM 0 HB3 ASN A 171 4.795 33.306 -17.046 1.00 25.00 H new ATOM 0 HD21 ASN A 171 3.030 34.411 -14.171 1.00 25.00 H new ATOM 0 HD22 ASN A 171 4.339 34.941 -15.232 1.00 25.00 H new ATOM 2612 N LYS A 172 5.516 31.238 -18.939 1.00 25.00 N ATOM 2613 CA LYS A 172 6.244 31.249 -20.232 1.00 25.00 C ATOM 2614 C LYS A 172 7.013 32.521 -20.457 1.00 25.00 C ATOM 2615 O LYS A 172 8.109 32.476 -21.079 1.00 25.00 O ATOM 2616 CB LYS A 172 5.299 30.992 -21.410 1.00 25.00 C ATOM 2617 CG LYS A 172 4.484 29.606 -21.333 1.00 25.00 C ATOM 2618 CD LYS A 172 3.535 29.468 -22.529 1.00 25.00 C ATOM 2619 CE LYS A 172 4.234 29.095 -23.785 1.00 25.00 C ATOM 2620 NZ LYS A 172 3.329 29.275 -24.903 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 6.527 33.559 -19.989 1.00 25.00 O1- ATOM 0 H LYS A 172 4.502 31.328 -19.009 1.00 25.00 H new ATOM 0 HA LYS A 172 6.967 30.435 -20.175 1.00 25.00 H new ATOM 0 HB2 LYS A 172 4.585 31.814 -21.471 1.00 25.00 H new ATOM 0 HB3 LYS A 172 5.879 31.005 -22.333 1.00 25.00 H new ATOM 0 HG2 LYS A 172 5.182 28.769 -21.318 1.00 25.00 H new ATOM 0 HG3 LYS A 172 3.915 29.564 -20.404 1.00 25.00 H new ATOM 0 HD2 LYS A 172 2.781 28.715 -22.302 1.00 25.00 H new ATOM 0 HD3 LYS A 172 3.009 30.411 -22.679 1.00 25.00 H new ATOM 0 HE2 LYS A 172 5.123 29.711 -23.918 1.00 25.00 H new ATOM 0 HE3 LYS A 172 4.569 28.059 -23.735 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 3.813 29.015 -25.786 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 2.494 28.669 -24.775 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 3.031 30.270 -24.951 1.00 25.00 H new