USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1101 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 145 MET CE :methyl -149:sc= -1.66 (180deg=-4.04!) USER MOD Set 1.2: A 146 THR OG1 : rot 63:sc= 0.587 USER MOD Set 2.1: A 71 MET CE :methyl -152:sc= -2.01 (180deg=-3.14!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -153:sc= -4.55! (180deg=-6.85!) USER MOD Set 3.1: A 26 THR OG1 : rot 147:sc= 1.23 USER MOD Set 3.2: A 62 THR OG1 : rot -167:sc= 1.12 USER MOD Set 4.1: A 36 MET CE :methyl -120:sc= -0.52 (180deg=-4.18!) USER MOD Set 4.2: A 72 MET CE :methyl 162:sc= -2.29 (180deg=-3.26!) USER MOD Set 5.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 8 GLN : amide:sc= -0.0169 K(o=-0.0082,f=-0.74) USER MOD Set 5.3: A 41 GLN :FLIP amide:sc= 0.00868 F(o=-2.4!,f=-0.0082) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.00481 (180deg=0) USER MOD Single : A 3 GLN : amide:sc=-0.00885 X(o=-0.0089,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0594) USER MOD Single : A 17 SER OG : rot 106:sc= 0.45 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -110:sc= 0.424 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00876 USER MOD Single : A 30 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00144) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0436 USER MOD Single : A 38 SER OG : rot 77:sc= 1.26 USER MOD Single : A 42 ASN : amide:sc= -0.021 X(o=-0.021,f=-0.02) USER MOD Single : A 44 THR OG1 : rot -169:sc= 1.22 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -128:sc= -1.4 (180deg=-3.86!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 70 THR OG1 : rot 1:sc= 1.03 USER MOD Single : A 76 MET CE :methyl -152:sc= -0.0453 (180deg=-0.23) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc=-0.00486 X(o=-0.0049,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0.022) USER MOD Single : A 109 MET CE :methyl -114:sc= -2.32! (180deg=-5.38!) USER MOD Single : A 110 THR OG1 : rot 126:sc= 0.857 USER MOD Single : A 111 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.44) USER MOD Single : A 115 LYS NZ :NH3+ 177:sc= -2.4! (180deg=-2.47!) USER MOD Single : A 117 THR OG1 : rot -170:sc= -1.28 USER MOD Single : A 124 MET CE :methyl -113:sc= -4.64! (180deg=-8.25!) USER MOD Single : A 135 GLN : amide:sc= -0.0845 K(o=-0.084,f=-1.9) USER MOD Single : A 137 ASN :FLIP amide:sc= -0.475 F(o=-1.5,f=-0.47) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.385 K(o=-0.39,f=-6.9!) USER MOD Single : A 144 MET CE :methyl -146:sc= -1.11 (180deg=-6.12!) USER MOD Single : A 148 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0226) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.980 -0.486 5.806 1.00 7.58 N ATOM 2 CA ALA A 1 13.177 0.986 5.785 1.00 7.12 C ATOM 3 C ALA A 1 12.948 1.588 7.167 1.00 6.58 C ATOM 4 O ALA A 1 11.998 1.218 7.863 1.00 7.05 O ATOM 5 CB ALA A 1 12.245 1.629 4.769 1.00 7.53 C ATOM 0 H1 ALA A 1 12.544 -0.791 4.912 1.00 7.58 H new ATOM 0 H2 ALA A 1 13.900 -0.958 5.921 1.00 7.58 H new ATOM 0 H3 ALA A 1 12.358 -0.742 6.599 1.00 7.58 H new ATOM 0 HA ALA A 1 14.208 1.186 5.494 1.00 7.12 H new ATOM 0 HB1 ALA A 1 12.400 2.708 4.764 1.00 7.53 H new ATOM 0 HB2 ALA A 1 12.455 1.228 3.778 1.00 7.53 H new ATOM 0 HB3 ALA A 1 11.211 1.413 5.036 1.00 7.53 H new ATOM 13 N ASP A 2 13.828 2.518 7.552 1.00 5.87 N ATOM 14 CA ASP A 2 13.740 3.188 8.852 1.00 5.58 C ATOM 15 C ASP A 2 13.794 4.709 8.696 1.00 5.24 C ATOM 16 O ASP A 2 13.032 5.429 9.348 1.00 5.25 O ATOM 17 CB ASP A 2 14.868 2.715 9.778 1.00 5.55 C ATOM 18 CG ASP A 2 14.688 1.278 10.232 1.00 5.97 C ATOM 19 OD1 ASP A 2 15.188 0.369 9.537 1.00 6.14 O ATOM 20 OD2 ASP A 2 14.049 1.063 11.283 1.00 6.37 O ATOM 0 H ASP A 2 14.613 2.825 6.978 1.00 5.87 H new ATOM 0 HA ASP A 2 12.781 2.924 9.297 1.00 5.58 H new ATOM 0 HB2 ASP A 2 15.822 2.811 9.260 1.00 5.55 H new ATOM 0 HB3 ASP A 2 14.912 3.365 10.652 1.00 5.55 H new ATOM 25 N GLN A 3 14.698 5.186 7.828 1.00 5.07 N ATOM 26 CA GLN A 3 14.867 6.611 7.573 1.00 4.79 C ATOM 27 C GLN A 3 13.995 7.082 6.428 1.00 4.43 C ATOM 28 O GLN A 3 13.618 6.307 5.544 1.00 4.50 O ATOM 29 CB GLN A 3 16.343 6.948 7.305 1.00 5.03 C ATOM 30 CG GLN A 3 17.234 6.891 8.543 1.00 5.41 C ATOM 31 CD GLN A 3 17.125 8.133 9.411 1.00 5.73 C ATOM 32 OE1 GLN A 3 17.865 9.100 9.227 1.00 6.18 O ATOM 33 NE2 GLN A 3 16.198 8.112 10.362 1.00 5.76 N ATOM 0 H GLN A 3 15.327 4.592 7.288 1.00 5.07 H new ATOM 0 HA GLN A 3 14.549 7.142 8.470 1.00 4.79 H new ATOM 0 HB2 GLN A 3 16.732 6.255 6.559 1.00 5.03 H new ATOM 0 HB3 GLN A 3 16.403 7.947 6.874 1.00 5.03 H new ATOM 0 HG2 GLN A 3 16.967 6.016 9.136 1.00 5.41 H new ATOM 0 HG3 GLN A 3 18.271 6.762 8.232 1.00 5.41 H new ATOM 0 HE21 GLN A 3 15.606 7.290 10.479 1.00 5.76 H new ATOM 0 HE22 GLN A 3 16.078 8.918 10.975 1.00 5.76 H new ATOM 42 N LEU A 4 13.692 8.375 6.472 1.00 4.12 N ATOM 43 CA LEU A 4 12.826 9.014 5.503 1.00 3.79 C ATOM 44 C LEU A 4 13.463 10.280 4.937 1.00 3.73 C ATOM 45 O LEU A 4 14.280 10.923 5.605 1.00 3.87 O ATOM 46 CB LEU A 4 11.520 9.339 6.218 1.00 3.47 C ATOM 47 CG LEU A 4 10.237 9.189 5.388 1.00 3.23 C ATOM 48 CD1 LEU A 4 9.058 8.863 6.292 1.00 3.44 C ATOM 49 CD2 LEU A 4 9.954 10.459 4.593 1.00 3.02 C ATOM 0 H LEU A 4 14.046 9.009 7.189 1.00 4.12 H new ATOM 0 HA LEU A 4 12.651 8.350 4.656 1.00 3.79 H new ATOM 0 HB2 LEU A 4 11.439 8.694 7.093 1.00 3.47 H new ATOM 0 HB3 LEU A 4 11.575 10.365 6.582 1.00 3.47 H new ATOM 0 HG LEU A 4 10.380 8.368 4.685 1.00 3.23 H new ATOM 0 HD11 LEU A 4 8.155 8.760 5.690 1.00 3.44 H new ATOM 0 HD12 LEU A 4 9.251 7.929 6.819 1.00 3.44 H new ATOM 0 HD13 LEU A 4 8.921 9.667 7.016 1.00 3.44 H new ATOM 0 HD21 LEU A 4 9.040 10.329 4.013 1.00 3.02 H new ATOM 0 HD22 LEU A 4 9.832 11.298 5.278 1.00 3.02 H new ATOM 0 HD23 LEU A 4 10.787 10.659 3.919 1.00 3.02 H new ATOM 61 N THR A 5 13.081 10.629 3.705 1.00 3.61 N ATOM 62 CA THR A 5 13.612 11.819 3.035 1.00 3.63 C ATOM 63 C THR A 5 12.623 12.978 3.106 1.00 3.38 C ATOM 64 O THR A 5 11.408 12.775 3.024 1.00 3.11 O ATOM 65 CB THR A 5 13.952 11.541 1.555 1.00 3.77 C ATOM 66 OG1 THR A 5 12.863 10.860 0.918 1.00 3.69 O ATOM 67 CG2 THR A 5 15.222 10.710 1.429 1.00 4.13 C ATOM 0 H THR A 5 12.405 10.103 3.151 1.00 3.61 H new ATOM 0 HA THR A 5 14.528 12.088 3.562 1.00 3.63 H new ATOM 0 HB THR A 5 14.118 12.499 1.063 1.00 3.77 H new ATOM 0 HG1 THR A 5 13.088 10.690 -0.021 1.00 3.69 H new ATOM 0 HG21 THR A 5 15.436 10.530 0.375 1.00 4.13 H new ATOM 0 HG22 THR A 5 16.055 11.248 1.882 1.00 4.13 H new ATOM 0 HG23 THR A 5 15.085 9.757 1.939 1.00 4.13 H new ATOM 75 N GLU A 6 13.164 14.194 3.258 1.00 3.50 N ATOM 76 CA GLU A 6 12.355 15.421 3.342 1.00 3.37 C ATOM 77 C GLU A 6 11.921 15.928 1.960 1.00 3.33 C ATOM 78 O GLU A 6 10.977 16.716 1.855 1.00 3.18 O ATOM 79 CB GLU A 6 13.133 16.521 4.072 1.00 3.63 C ATOM 80 CG GLU A 6 13.252 16.300 5.573 1.00 3.53 C ATOM 81 CD GLU A 6 14.026 17.405 6.265 1.00 3.85 C ATOM 82 OE1 GLU A 6 13.394 18.393 6.694 1.00 3.72 O ATOM 83 OE2 GLU A 6 15.264 17.282 6.378 1.00 4.59 O ATOM 0 H GLU A 6 14.169 14.357 3.326 1.00 3.50 H new ATOM 0 HA GLU A 6 11.454 15.171 3.902 1.00 3.37 H new ATOM 0 HB2 GLU A 6 14.133 16.590 3.644 1.00 3.63 H new ATOM 0 HB3 GLU A 6 12.643 17.478 3.893 1.00 3.63 H new ATOM 0 HG2 GLU A 6 12.254 16.233 6.007 1.00 3.53 H new ATOM 0 HG3 GLU A 6 13.745 15.345 5.758 1.00 3.53 H new ATOM 90 N GLU A 7 12.620 15.469 0.908 1.00 3.51 N ATOM 91 CA GLU A 7 12.340 15.874 -0.476 1.00 3.59 C ATOM 92 C GLU A 7 11.003 15.354 -0.999 1.00 3.35 C ATOM 93 O GLU A 7 10.489 15.884 -1.989 1.00 3.38 O ATOM 94 CB GLU A 7 13.474 15.431 -1.407 1.00 3.93 C ATOM 95 CG GLU A 7 14.752 16.242 -1.252 1.00 4.45 C ATOM 96 CD GLU A 7 15.853 15.779 -2.186 1.00 5.14 C ATOM 97 OE1 GLU A 7 15.930 16.300 -3.318 1.00 5.54 O ATOM 98 OE2 GLU A 7 16.639 14.895 -1.784 1.00 5.58 O ATOM 0 H GLU A 7 13.393 14.809 0.995 1.00 3.51 H new ATOM 0 HA GLU A 7 12.274 16.962 -0.467 1.00 3.59 H new ATOM 0 HB2 GLU A 7 13.697 14.381 -1.218 1.00 3.93 H new ATOM 0 HB3 GLU A 7 13.132 15.504 -2.440 1.00 3.93 H new ATOM 0 HG2 GLU A 7 14.536 17.293 -1.443 1.00 4.45 H new ATOM 0 HG3 GLU A 7 15.101 16.171 -0.222 1.00 4.45 H new ATOM 105 N GLN A 8 10.441 14.314 -0.358 1.00 3.16 N ATOM 106 CA GLN A 8 9.136 13.784 -0.768 1.00 2.96 C ATOM 107 C GLN A 8 8.081 14.851 -0.599 1.00 2.69 C ATOM 108 O GLN A 8 7.150 14.946 -1.394 1.00 2.63 O ATOM 109 CB GLN A 8 8.768 12.511 0.001 1.00 2.87 C ATOM 110 CG GLN A 8 9.569 11.287 -0.421 1.00 3.23 C ATOM 111 CD GLN A 8 9.160 10.036 0.331 1.00 3.13 C ATOM 112 OE1 GLN A 8 8.270 9.302 -0.099 1.00 3.27 O ATOM 113 NE2 GLN A 8 9.812 9.785 1.460 1.00 3.29 N ATOM 0 H GLN A 8 10.866 13.832 0.434 1.00 3.16 H new ATOM 0 HA GLN A 8 9.194 13.505 -1.820 1.00 2.96 H new ATOM 0 HB2 GLN A 8 8.920 12.684 1.066 1.00 2.87 H new ATOM 0 HB3 GLN A 8 7.707 12.306 -0.140 1.00 2.87 H new ATOM 0 HG2 GLN A 8 9.438 11.123 -1.491 1.00 3.23 H new ATOM 0 HG3 GLN A 8 10.630 11.476 -0.255 1.00 3.23 H new ATOM 0 HE21 GLN A 8 10.543 10.421 1.779 1.00 3.29 H new ATOM 0 HE22 GLN A 8 9.582 8.956 2.008 1.00 3.29 H new ATOM 122 N ILE A 9 8.250 15.645 0.454 1.00 2.59 N ATOM 123 CA ILE A 9 7.416 16.798 0.720 1.00 2.41 C ATOM 124 C ILE A 9 7.489 17.735 -0.484 1.00 2.64 C ATOM 125 O ILE A 9 6.465 18.234 -0.948 1.00 2.55 O ATOM 126 CB ILE A 9 7.894 17.485 2.018 1.00 2.42 C ATOM 127 CG1 ILE A 9 7.408 16.664 3.211 1.00 2.20 C ATOM 128 CG2 ILE A 9 7.454 18.942 2.100 1.00 2.45 C ATOM 129 CD1 ILE A 9 8.402 15.613 3.645 1.00 2.35 C ATOM 0 H ILE A 9 8.980 15.499 1.151 1.00 2.59 H new ATOM 0 HA ILE A 9 6.376 16.506 0.867 1.00 2.41 H new ATOM 0 HB ILE A 9 8.984 17.516 2.025 1.00 2.42 H new ATOM 0 HG12 ILE A 9 7.205 17.333 4.048 1.00 2.20 H new ATOM 0 HG13 ILE A 9 6.465 16.181 2.953 1.00 2.20 H new ATOM 0 HG21 ILE A 9 7.815 19.379 3.031 1.00 2.45 H new ATOM 0 HG22 ILE A 9 7.866 19.495 1.256 1.00 2.45 H new ATOM 0 HG23 ILE A 9 6.366 18.996 2.072 1.00 2.45 H new ATOM 0 HD11 ILE A 9 8.001 15.062 4.496 1.00 2.35 H new ATOM 0 HD12 ILE A 9 8.586 14.924 2.821 1.00 2.35 H new ATOM 0 HD13 ILE A 9 9.337 16.093 3.932 1.00 2.35 H new ATOM 141 N ALA A 10 8.726 17.955 -0.980 1.00 2.97 N ATOM 142 CA ALA A 10 8.953 18.758 -2.189 1.00 3.26 C ATOM 143 C ALA A 10 8.173 18.187 -3.368 1.00 3.27 C ATOM 144 O ALA A 10 7.798 18.921 -4.286 1.00 3.43 O ATOM 145 CB ALA A 10 10.437 18.858 -2.510 1.00 3.61 C ATOM 0 H ALA A 10 9.578 17.586 -0.558 1.00 2.97 H new ATOM 0 HA ALA A 10 8.588 19.767 -1.999 1.00 3.26 H new ATOM 0 HB1 ALA A 10 10.575 19.458 -3.410 1.00 3.61 H new ATOM 0 HB2 ALA A 10 10.959 19.328 -1.677 1.00 3.61 H new ATOM 0 HB3 ALA A 10 10.842 17.859 -2.674 1.00 3.61 H new ATOM 151 N GLU A 11 7.937 16.867 -3.327 1.00 3.14 N ATOM 152 CA GLU A 11 7.128 16.195 -4.341 1.00 3.18 C ATOM 153 C GLU A 11 5.659 16.329 -3.995 1.00 2.87 C ATOM 154 O GLU A 11 4.796 16.378 -4.876 1.00 2.94 O ATOM 155 CB GLU A 11 7.480 14.721 -4.423 1.00 3.24 C ATOM 156 CG GLU A 11 8.312 14.353 -5.640 1.00 3.63 C ATOM 157 CD GLU A 11 8.645 12.876 -5.697 1.00 3.78 C ATOM 158 OE1 GLU A 11 9.697 12.482 -5.150 1.00 4.13 O ATOM 159 OE2 GLU A 11 7.854 12.111 -6.289 1.00 3.90 O ATOM 0 H GLU A 11 8.297 16.248 -2.600 1.00 3.14 H new ATOM 0 HA GLU A 11 7.332 16.664 -5.304 1.00 3.18 H new ATOM 0 HB2 GLU A 11 8.025 14.437 -3.523 1.00 3.24 H new ATOM 0 HB3 GLU A 11 6.559 14.138 -4.435 1.00 3.24 H new ATOM 0 HG2 GLU A 11 7.771 14.634 -6.543 1.00 3.63 H new ATOM 0 HG3 GLU A 11 9.237 14.930 -5.630 1.00 3.63 H new ATOM 166 N PHE A 12 5.401 16.388 -2.689 1.00 2.56 N ATOM 167 CA PHE A 12 4.051 16.533 -2.161 1.00 2.24 C ATOM 168 C PHE A 12 3.478 17.926 -2.462 1.00 2.30 C ATOM 169 O PHE A 12 2.290 18.045 -2.777 1.00 2.22 O ATOM 170 CB PHE A 12 4.033 16.282 -0.648 1.00 1.94 C ATOM 171 CG PHE A 12 4.238 14.839 -0.212 1.00 1.85 C ATOM 172 CD1 PHE A 12 4.486 13.811 -1.124 1.00 2.28 C ATOM 173 CD2 PHE A 12 4.158 14.508 1.135 1.00 2.07 C ATOM 174 CE1 PHE A 12 4.637 12.515 -0.693 1.00 2.34 C ATOM 175 CE2 PHE A 12 4.316 13.205 1.559 1.00 2.03 C ATOM 176 CZ PHE A 12 4.552 12.205 0.633 1.00 1.90 C ATOM 0 H PHE A 12 6.123 16.336 -1.970 1.00 2.56 H new ATOM 0 HA PHE A 12 3.425 15.790 -2.655 1.00 2.24 H new ATOM 0 HB2 PHE A 12 4.809 16.894 -0.188 1.00 1.94 H new ATOM 0 HB3 PHE A 12 3.078 16.629 -0.253 1.00 1.94 H new ATOM 0 HD1 PHE A 12 4.560 14.037 -2.178 1.00 2.28 H new ATOM 0 HD2 PHE A 12 3.969 15.284 1.862 1.00 2.07 H new ATOM 0 HE1 PHE A 12 4.825 11.732 -1.413 1.00 2.34 H new ATOM 0 HE2 PHE A 12 4.256 12.966 2.611 1.00 2.03 H new ATOM 0 HZ PHE A 12 4.669 11.182 0.959 1.00 1.90 H new ATOM 186 N LYS A 13 4.324 18.984 -2.364 1.00 2.51 N ATOM 187 CA LYS A 13 3.868 20.358 -2.648 1.00 2.67 C ATOM 188 C LYS A 13 3.739 20.610 -4.146 1.00 2.96 C ATOM 189 O LYS A 13 3.051 21.542 -4.555 1.00 3.07 O ATOM 190 CB LYS A 13 4.749 21.440 -1.992 1.00 2.86 C ATOM 191 CG LYS A 13 6.255 21.160 -1.989 1.00 3.04 C ATOM 192 CD LYS A 13 6.829 21.159 -0.568 1.00 2.93 C ATOM 193 CE LYS A 13 7.012 22.569 0.001 1.00 3.15 C ATOM 194 NZ LYS A 13 8.133 23.299 -0.658 1.00 3.58 N ATOM 0 H LYS A 13 5.305 18.909 -2.096 1.00 2.51 H new ATOM 0 HA LYS A 13 2.880 20.438 -2.195 1.00 2.67 H new ATOM 0 HB2 LYS A 13 4.575 22.385 -2.507 1.00 2.86 H new ATOM 0 HB3 LYS A 13 4.421 21.573 -0.961 1.00 2.86 H new ATOM 0 HG2 LYS A 13 6.447 20.196 -2.459 1.00 3.04 H new ATOM 0 HG3 LYS A 13 6.766 21.914 -2.587 1.00 3.04 H new ATOM 0 HD2 LYS A 13 6.166 20.592 0.086 1.00 2.93 H new ATOM 0 HD3 LYS A 13 7.791 20.646 -0.570 1.00 2.93 H new ATOM 0 HE2 LYS A 13 6.088 23.133 -0.126 1.00 3.15 H new ATOM 0 HE3 LYS A 13 7.202 22.505 1.072 1.00 3.15 H new ATOM 0 HZ1 LYS A 13 8.310 24.192 -0.154 1.00 3.58 H new ATOM 0 HZ2 LYS A 13 8.991 22.712 -0.634 1.00 3.58 H new ATOM 0 HZ3 LYS A 13 7.881 23.503 -1.646 1.00 3.58 H new ATOM 208 N GLU A 14 4.412 19.785 -4.962 1.00 3.12 N ATOM 209 CA GLU A 14 4.307 19.901 -6.419 1.00 3.43 C ATOM 210 C GLU A 14 2.950 19.358 -6.885 1.00 3.34 C ATOM 211 O GLU A 14 2.404 19.802 -7.899 1.00 3.56 O ATOM 212 CB GLU A 14 5.443 19.139 -7.110 1.00 3.67 C ATOM 213 CG GLU A 14 6.790 19.842 -7.033 1.00 4.07 C ATOM 214 CD GLU A 14 7.894 19.063 -7.721 1.00 4.36 C ATOM 215 OE1 GLU A 14 8.111 19.284 -8.931 1.00 4.71 O ATOM 216 OE2 GLU A 14 8.542 18.232 -7.050 1.00 4.52 O ATOM 0 H GLU A 14 5.028 19.039 -4.640 1.00 3.12 H new ATOM 0 HA GLU A 14 4.388 20.954 -6.690 1.00 3.43 H new ATOM 0 HB2 GLU A 14 5.533 18.151 -6.658 1.00 3.67 H new ATOM 0 HB3 GLU A 14 5.182 18.988 -8.157 1.00 3.67 H new ATOM 0 HG2 GLU A 14 6.708 20.828 -7.489 1.00 4.07 H new ATOM 0 HG3 GLU A 14 7.056 19.996 -5.987 1.00 4.07 H new ATOM 223 N ALA A 15 2.426 18.388 -6.116 1.00 3.04 N ATOM 224 CA ALA A 15 1.138 17.754 -6.400 1.00 2.97 C ATOM 225 C ALA A 15 -0.036 18.489 -5.763 1.00 2.76 C ATOM 226 O ALA A 15 -0.944 18.927 -6.467 1.00 2.91 O ATOM 227 CB ALA A 15 1.161 16.291 -5.942 1.00 2.84 C ATOM 0 H ALA A 15 2.887 18.025 -5.282 1.00 3.04 H new ATOM 0 HA ALA A 15 0.990 17.800 -7.479 1.00 2.97 H new ATOM 0 HB1 ALA A 15 0.198 15.827 -6.157 1.00 2.84 H new ATOM 0 HB2 ALA A 15 1.948 15.756 -6.473 1.00 2.84 H new ATOM 0 HB3 ALA A 15 1.353 16.248 -4.870 1.00 2.84 H new ATOM 233 N PHE A 16 -0.025 18.606 -4.425 1.00 2.45 N ATOM 234 CA PHE A 16 -1.094 19.290 -3.678 1.00 2.28 C ATOM 235 C PHE A 16 -1.398 20.656 -4.282 1.00 2.56 C ATOM 236 O PHE A 16 -2.558 21.044 -4.422 1.00 2.60 O ATOM 237 CB PHE A 16 -0.662 19.463 -2.218 1.00 2.02 C ATOM 238 CG PHE A 16 -1.738 19.926 -1.255 1.00 1.86 C ATOM 239 CD1 PHE A 16 -2.178 19.076 -0.250 1.00 2.18 C ATOM 240 CD2 PHE A 16 -2.279 21.211 -1.327 1.00 2.17 C ATOM 241 CE1 PHE A 16 -3.125 19.479 0.656 1.00 2.21 C ATOM 242 CE2 PHE A 16 -3.241 21.614 -0.415 1.00 2.07 C ATOM 243 CZ PHE A 16 -3.659 20.740 0.577 1.00 1.79 C ATOM 0 H PHE A 16 0.718 18.233 -3.835 1.00 2.45 H new ATOM 0 HA PHE A 16 -1.997 18.682 -3.733 1.00 2.28 H new ATOM 0 HB2 PHE A 16 -0.269 18.511 -1.861 1.00 2.02 H new ATOM 0 HB3 PHE A 16 0.159 20.179 -2.186 1.00 2.02 H new ATOM 0 HD1 PHE A 16 -1.767 18.080 -0.180 1.00 2.18 H new ATOM 0 HD2 PHE A 16 -1.947 21.893 -2.096 1.00 2.17 H new ATOM 0 HE1 PHE A 16 -3.451 18.803 1.433 1.00 2.21 H new ATOM 0 HE2 PHE A 16 -3.664 22.606 -0.477 1.00 2.07 H new ATOM 0 HZ PHE A 16 -4.407 21.053 1.290 1.00 1.79 H new ATOM 253 N SER A 17 -0.334 21.361 -4.651 1.00 2.80 N ATOM 254 CA SER A 17 -0.444 22.683 -5.218 1.00 3.11 C ATOM 255 C SER A 17 -1.029 22.682 -6.622 1.00 3.36 C ATOM 256 O SER A 17 -1.499 23.722 -7.093 1.00 3.59 O ATOM 257 CB SER A 17 0.908 23.383 -5.218 1.00 3.33 C ATOM 258 OG SER A 17 1.335 23.674 -3.898 1.00 3.30 O ATOM 0 H SER A 17 0.625 21.025 -4.562 1.00 2.80 H new ATOM 0 HA SER A 17 -1.139 23.231 -4.582 1.00 3.11 H new ATOM 0 HB2 SER A 17 1.647 22.752 -5.711 1.00 3.33 H new ATOM 0 HB3 SER A 17 0.842 24.306 -5.794 1.00 3.33 H new ATOM 0 HG SER A 17 2.049 23.054 -3.641 1.00 3.30 H new ATOM 264 N LEU A 18 -0.995 21.526 -7.305 1.00 3.35 N ATOM 265 CA LEU A 18 -1.543 21.441 -8.647 1.00 3.63 C ATOM 266 C LEU A 18 -3.065 21.533 -8.594 1.00 3.56 C ATOM 267 O LEU A 18 -3.740 21.813 -9.588 1.00 3.81 O ATOM 268 CB LEU A 18 -1.041 20.177 -9.358 1.00 3.72 C ATOM 269 CG LEU A 18 -1.926 18.948 -9.222 1.00 3.54 C ATOM 270 CD1 LEU A 18 -2.934 18.866 -10.363 1.00 3.79 C ATOM 271 CD2 LEU A 18 -1.107 17.668 -9.144 1.00 3.53 C ATOM 0 H LEU A 18 -0.598 20.657 -6.948 1.00 3.35 H new ATOM 0 HA LEU A 18 -1.192 22.285 -9.241 1.00 3.63 H new ATOM 0 HB2 LEU A 18 -0.923 20.401 -10.418 1.00 3.72 H new ATOM 0 HB3 LEU A 18 -0.051 19.934 -8.971 1.00 3.72 H new ATOM 0 HG LEU A 18 -2.473 19.051 -8.285 1.00 3.54 H new ATOM 0 HD11 LEU A 18 -3.553 17.977 -10.239 1.00 3.79 H new ATOM 0 HD12 LEU A 18 -3.567 19.753 -10.354 1.00 3.79 H new ATOM 0 HD13 LEU A 18 -2.404 18.809 -11.314 1.00 3.79 H new ATOM 0 HD21 LEU A 18 -1.776 16.813 -9.047 1.00 3.53 H new ATOM 0 HD22 LEU A 18 -0.511 17.562 -10.050 1.00 3.53 H new ATOM 0 HD23 LEU A 18 -0.446 17.711 -8.278 1.00 3.53 H new ATOM 283 N PHE A 19 -3.549 21.284 -7.397 1.00 3.24 N ATOM 284 CA PHE A 19 -4.968 21.338 -7.070 1.00 3.16 C ATOM 285 C PHE A 19 -5.207 22.456 -6.056 1.00 3.11 C ATOM 286 O PHE A 19 -6.318 22.618 -5.540 1.00 3.07 O ATOM 287 CB PHE A 19 -5.425 20.009 -6.462 1.00 2.89 C ATOM 288 CG PHE A 19 -5.245 18.795 -7.342 1.00 3.01 C ATOM 289 CD1 PHE A 19 -6.055 18.587 -8.451 1.00 3.31 C ATOM 290 CD2 PHE A 19 -4.272 17.854 -7.046 1.00 3.27 C ATOM 291 CE1 PHE A 19 -5.895 17.465 -9.243 1.00 3.50 C ATOM 292 CE2 PHE A 19 -4.107 16.733 -7.836 1.00 3.41 C ATOM 293 CZ PHE A 19 -4.919 16.537 -8.935 1.00 3.37 C ATOM 0 H PHE A 19 -2.960 21.033 -6.603 1.00 3.24 H new ATOM 0 HA PHE A 19 -5.534 21.527 -7.982 1.00 3.16 H new ATOM 0 HB2 PHE A 19 -4.878 19.847 -5.533 1.00 2.89 H new ATOM 0 HB3 PHE A 19 -6.480 20.093 -6.200 1.00 2.89 H new ATOM 0 HD1 PHE A 19 -6.819 19.310 -8.697 1.00 3.31 H new ATOM 0 HD2 PHE A 19 -3.634 17.999 -6.186 1.00 3.27 H new ATOM 0 HE1 PHE A 19 -6.532 17.314 -10.102 1.00 3.50 H new ATOM 0 HE2 PHE A 19 -3.342 16.010 -7.594 1.00 3.41 H new ATOM 0 HZ PHE A 19 -4.792 15.660 -9.553 1.00 3.37 H new ATOM 303 N ALA A 20 -4.140 23.228 -5.783 1.00 3.18 N ATOM 304 CA ALA A 20 -4.173 24.333 -4.789 1.00 3.22 C ATOM 305 C ALA A 20 -5.340 25.317 -4.971 1.00 3.51 C ATOM 306 O ALA A 20 -5.635 25.756 -6.087 1.00 3.80 O ATOM 307 CB ALA A 20 -2.861 25.102 -4.800 1.00 3.38 C ATOM 0 H ALA A 20 -3.234 23.111 -6.237 1.00 3.18 H new ATOM 0 HA ALA A 20 -4.325 23.845 -3.826 1.00 3.22 H new ATOM 0 HB1 ALA A 20 -2.905 25.907 -4.066 1.00 3.38 H new ATOM 0 HB2 ALA A 20 -2.042 24.428 -4.551 1.00 3.38 H new ATOM 0 HB3 ALA A 20 -2.695 25.524 -5.791 1.00 3.38 H new ATOM 313 N LYS A 21 -5.988 25.645 -3.841 1.00 3.61 N ATOM 314 CA LYS A 21 -7.117 26.584 -3.800 1.00 3.95 C ATOM 315 C LYS A 21 -6.641 28.011 -3.487 1.00 3.96 C ATOM 316 O LYS A 21 -5.476 28.220 -3.132 1.00 4.13 O ATOM 317 CB LYS A 21 -8.132 26.124 -2.738 1.00 4.48 C ATOM 318 CG LYS A 21 -9.345 25.378 -3.288 1.00 5.04 C ATOM 319 CD LYS A 21 -9.000 23.957 -3.727 1.00 4.99 C ATOM 320 CE LYS A 21 -9.054 23.819 -5.239 1.00 5.12 C ATOM 321 NZ LYS A 21 -10.453 23.790 -5.754 1.00 5.47 N ATOM 0 H LYS A 21 -5.741 25.264 -2.928 1.00 3.61 H new ATOM 0 HA LYS A 21 -7.592 26.595 -4.781 1.00 3.95 H new ATOM 0 HB2 LYS A 21 -7.621 25.479 -2.023 1.00 4.48 H new ATOM 0 HB3 LYS A 21 -8.480 26.998 -2.187 1.00 4.48 H new ATOM 0 HG2 LYS A 21 -10.123 25.342 -2.526 1.00 5.04 H new ATOM 0 HG3 LYS A 21 -9.754 25.929 -4.135 1.00 5.04 H new ATOM 0 HD2 LYS A 21 -8.003 23.696 -3.371 1.00 4.99 H new ATOM 0 HD3 LYS A 21 -9.696 23.254 -3.270 1.00 4.99 H new ATOM 0 HE2 LYS A 21 -8.518 24.650 -5.697 1.00 5.12 H new ATOM 0 HE3 LYS A 21 -8.540 22.905 -5.537 1.00 5.12 H new ATOM 0 HZ1 LYS A 21 -10.440 23.695 -6.790 1.00 5.47 H new ATOM 0 HZ2 LYS A 21 -10.959 22.982 -5.338 1.00 5.47 H new ATOM 0 HZ3 LYS A 21 -10.937 24.673 -5.494 1.00 5.47 H new ATOM 335 N ASP A 22 -7.557 28.984 -3.621 1.00 4.12 N ATOM 336 CA ASP A 22 -7.262 30.393 -3.368 1.00 4.45 C ATOM 337 C ASP A 22 -7.440 30.788 -1.892 1.00 4.42 C ATOM 338 O ASP A 22 -6.879 31.796 -1.452 1.00 4.77 O ATOM 339 CB ASP A 22 -8.144 31.285 -4.247 1.00 4.96 C ATOM 340 CG ASP A 22 -7.752 31.233 -5.712 1.00 5.21 C ATOM 341 OD1 ASP A 22 -8.296 30.378 -6.442 1.00 5.70 O ATOM 342 OD2 ASP A 22 -6.902 32.048 -6.129 1.00 5.20 O ATOM 0 H ASP A 22 -8.520 28.810 -3.908 1.00 4.12 H new ATOM 0 HA ASP A 22 -6.211 30.540 -3.618 1.00 4.45 H new ATOM 0 HB2 ASP A 22 -9.184 30.977 -4.142 1.00 4.96 H new ATOM 0 HB3 ASP A 22 -8.079 32.314 -3.894 1.00 4.96 H new ATOM 347 N GLY A 23 -8.218 29.991 -1.136 1.00 4.20 N ATOM 348 CA GLY A 23 -8.472 30.277 0.281 1.00 4.32 C ATOM 349 C GLY A 23 -7.269 30.019 1.179 1.00 4.21 C ATOM 350 O GLY A 23 -6.239 30.687 1.046 1.00 4.37 O ATOM 0 H GLY A 23 -8.678 29.149 -1.484 1.00 4.20 H new ATOM 0 HA2 GLY A 23 -8.775 31.319 0.384 1.00 4.32 H new ATOM 0 HA3 GLY A 23 -9.308 29.666 0.622 1.00 4.32 H new ATOM 354 N ASP A 24 -7.406 29.045 2.095 1.00 3.98 N ATOM 355 CA ASP A 24 -6.325 28.675 3.031 1.00 3.89 C ATOM 356 C ASP A 24 -5.201 27.909 2.317 1.00 3.62 C ATOM 357 O ASP A 24 -4.110 27.729 2.866 1.00 3.56 O ATOM 358 CB ASP A 24 -6.881 27.828 4.180 1.00 3.77 C ATOM 359 CG ASP A 24 -7.759 28.628 5.125 1.00 4.13 C ATOM 360 OD1 ASP A 24 -8.985 28.683 4.892 1.00 4.50 O ATOM 361 OD2 ASP A 24 -7.220 29.199 6.096 1.00 4.32 O ATOM 0 H ASP A 24 -8.258 28.496 2.209 1.00 3.98 H new ATOM 0 HA ASP A 24 -5.907 29.598 3.432 1.00 3.89 H new ATOM 0 HB2 ASP A 24 -7.457 26.999 3.769 1.00 3.77 H new ATOM 0 HB3 ASP A 24 -6.053 27.394 4.740 1.00 3.77 H new ATOM 366 N GLY A 25 -5.500 27.471 1.089 1.00 3.50 N ATOM 367 CA GLY A 25 -4.546 26.741 0.264 1.00 3.30 C ATOM 368 C GLY A 25 -4.699 25.269 0.491 1.00 2.90 C ATOM 369 O GLY A 25 -3.750 24.568 0.858 1.00 2.69 O ATOM 0 H GLY A 25 -6.407 27.614 0.646 1.00 3.50 H new ATOM 0 HA2 GLY A 25 -4.708 26.974 -0.788 1.00 3.30 H new ATOM 0 HA3 GLY A 25 -3.530 27.052 0.506 1.00 3.30 H new ATOM 373 N THR A 26 -5.929 24.820 0.260 1.00 2.85 N ATOM 374 CA THR A 26 -6.309 23.443 0.474 1.00 2.53 C ATOM 375 C THR A 26 -6.649 22.710 -0.825 1.00 2.45 C ATOM 376 O THR A 26 -6.606 23.299 -1.910 1.00 2.66 O ATOM 377 CB THR A 26 -7.519 23.359 1.414 1.00 2.59 C ATOM 378 OG1 THR A 26 -8.670 23.993 0.841 1.00 2.84 O ATOM 379 CG2 THR A 26 -7.186 23.990 2.730 1.00 2.74 C ATOM 0 H THR A 26 -6.687 25.410 -0.082 1.00 2.85 H new ATOM 0 HA THR A 26 -5.442 22.956 0.920 1.00 2.53 H new ATOM 0 HB THR A 26 -7.757 22.306 1.567 1.00 2.59 H new ATOM 0 HG1 THR A 26 -9.480 23.520 1.126 1.00 2.84 H new ATOM 0 HG21 THR A 26 -8.049 23.927 3.393 1.00 2.74 H new ATOM 0 HG22 THR A 26 -6.343 23.467 3.181 1.00 2.74 H new ATOM 0 HG23 THR A 26 -6.923 25.036 2.576 1.00 2.74 H new ATOM 387 N ILE A 27 -6.992 21.415 -0.694 1.00 2.21 N ATOM 388 CA ILE A 27 -7.369 20.573 -1.846 1.00 2.22 C ATOM 389 C ILE A 27 -8.421 19.555 -1.407 1.00 2.15 C ATOM 390 O ILE A 27 -8.899 19.614 -0.282 1.00 2.13 O ATOM 391 CB ILE A 27 -6.161 19.847 -2.529 1.00 2.13 C ATOM 392 CG1 ILE A 27 -5.510 18.834 -1.573 1.00 1.82 C ATOM 393 CG2 ILE A 27 -5.155 20.862 -3.067 1.00 2.31 C ATOM 394 CD1 ILE A 27 -4.552 17.877 -2.255 1.00 1.79 C ATOM 0 H ILE A 27 -7.016 20.927 0.201 1.00 2.21 H new ATOM 0 HA ILE A 27 -7.775 21.244 -2.604 1.00 2.22 H new ATOM 0 HB ILE A 27 -6.536 19.280 -3.381 1.00 2.13 H new ATOM 0 HG12 ILE A 27 -4.974 19.376 -0.794 1.00 1.82 H new ATOM 0 HG13 ILE A 27 -6.293 18.259 -1.080 1.00 1.82 H new ATOM 0 HG21 ILE A 27 -4.324 20.336 -3.537 1.00 2.31 H new ATOM 0 HG22 ILE A 27 -5.642 21.502 -3.802 1.00 2.31 H new ATOM 0 HG23 ILE A 27 -4.780 21.473 -2.246 1.00 2.31 H new ATOM 0 HD11 ILE A 27 -4.133 17.194 -1.516 1.00 1.79 H new ATOM 0 HD12 ILE A 27 -5.087 17.307 -3.015 1.00 1.79 H new ATOM 0 HD13 ILE A 27 -3.747 18.442 -2.725 1.00 1.79 H new ATOM 406 N THR A 28 -8.796 18.649 -2.298 1.00 2.23 N ATOM 407 CA THR A 28 -9.790 17.627 -1.973 1.00 2.29 C ATOM 408 C THR A 28 -9.092 16.289 -1.718 1.00 2.17 C ATOM 409 O THR A 28 -7.858 16.222 -1.709 1.00 2.04 O ATOM 410 CB THR A 28 -10.886 17.496 -3.069 1.00 2.57 C ATOM 411 OG1 THR A 28 -10.330 16.958 -4.278 1.00 2.86 O ATOM 412 CG2 THR A 28 -11.547 18.838 -3.372 1.00 3.10 C ATOM 0 H THR A 28 -8.431 18.597 -3.249 1.00 2.23 H new ATOM 0 HA THR A 28 -10.306 17.937 -1.064 1.00 2.29 H new ATOM 0 HB THR A 28 -11.646 16.817 -2.681 1.00 2.57 H new ATOM 0 HG1 THR A 28 -10.313 17.653 -4.968 1.00 2.86 H new ATOM 0 HG21 THR A 28 -12.306 18.704 -4.142 1.00 3.10 H new ATOM 0 HG22 THR A 28 -12.013 19.227 -2.467 1.00 3.10 H new ATOM 0 HG23 THR A 28 -10.794 19.543 -3.724 1.00 3.10 H new ATOM 420 N THR A 29 -9.878 15.234 -1.514 1.00 2.30 N ATOM 421 CA THR A 29 -9.329 13.922 -1.186 1.00 2.30 C ATOM 422 C THR A 29 -8.972 13.050 -2.386 1.00 2.50 C ATOM 423 O THR A 29 -7.881 12.477 -2.428 1.00 2.44 O ATOM 424 CB THR A 29 -10.263 13.156 -0.269 1.00 2.48 C ATOM 425 OG1 THR A 29 -11.617 13.232 -0.737 1.00 2.75 O ATOM 426 CG2 THR A 29 -10.146 13.730 1.126 1.00 2.32 C ATOM 0 H THR A 29 -10.896 15.263 -1.570 1.00 2.30 H new ATOM 0 HA THR A 29 -8.388 14.143 -0.681 1.00 2.30 H new ATOM 0 HB THR A 29 -9.981 12.103 -0.259 1.00 2.48 H new ATOM 0 HG1 THR A 29 -12.201 12.730 -0.131 1.00 2.75 H new ATOM 0 HG21 THR A 29 -10.812 13.190 1.799 1.00 2.32 H new ATOM 0 HG22 THR A 29 -9.118 13.630 1.475 1.00 2.32 H new ATOM 0 HG23 THR A 29 -10.423 14.784 1.110 1.00 2.32 H new ATOM 434 N LYS A 30 -9.894 12.931 -3.348 1.00 2.77 N ATOM 435 CA LYS A 30 -9.672 12.109 -4.555 1.00 3.04 C ATOM 436 C LYS A 30 -8.387 12.509 -5.295 1.00 2.98 C ATOM 437 O LYS A 30 -7.670 11.652 -5.820 1.00 3.14 O ATOM 438 CB LYS A 30 -10.874 12.222 -5.507 1.00 3.33 C ATOM 439 CG LYS A 30 -12.130 11.496 -5.028 1.00 3.42 C ATOM 440 CD LYS A 30 -12.971 12.363 -4.097 1.00 3.38 C ATOM 441 CE LYS A 30 -14.236 11.645 -3.645 1.00 3.68 C ATOM 442 NZ LYS A 30 -15.247 11.546 -4.736 1.00 3.70 N ATOM 0 H LYS A 30 -10.803 13.392 -3.319 1.00 2.77 H new ATOM 0 HA LYS A 30 -9.561 11.076 -4.226 1.00 3.04 H new ATOM 0 HB2 LYS A 30 -11.111 13.276 -5.650 1.00 3.33 H new ATOM 0 HB3 LYS A 30 -10.589 11.825 -6.481 1.00 3.33 H new ATOM 0 HG2 LYS A 30 -12.730 11.202 -5.890 1.00 3.42 H new ATOM 0 HG3 LYS A 30 -11.844 10.580 -4.511 1.00 3.42 H new ATOM 0 HD2 LYS A 30 -12.379 12.640 -3.225 1.00 3.38 H new ATOM 0 HD3 LYS A 30 -13.240 13.288 -4.606 1.00 3.38 H new ATOM 0 HE2 LYS A 30 -13.979 10.644 -3.298 1.00 3.68 H new ATOM 0 HE3 LYS A 30 -14.670 12.175 -2.797 1.00 3.68 H new ATOM 0 HZ1 LYS A 30 -16.097 11.066 -4.379 1.00 3.70 H new ATOM 0 HZ2 LYS A 30 -15.500 12.500 -5.063 1.00 3.70 H new ATOM 0 HZ3 LYS A 30 -14.850 11.003 -5.529 1.00 3.70 H new ATOM 456 N GLU A 31 -8.118 13.817 -5.321 1.00 2.81 N ATOM 457 CA GLU A 31 -6.935 14.376 -5.985 1.00 2.81 C ATOM 458 C GLU A 31 -5.712 14.468 -5.059 1.00 2.52 C ATOM 459 O GLU A 31 -4.604 14.717 -5.547 1.00 2.57 O ATOM 460 CB GLU A 31 -7.268 15.761 -6.561 1.00 2.89 C ATOM 461 CG GLU A 31 -8.360 15.740 -7.628 1.00 3.24 C ATOM 462 CD GLU A 31 -9.004 17.099 -7.843 1.00 3.22 C ATOM 463 OE1 GLU A 31 -9.662 17.600 -6.906 1.00 3.26 O ATOM 464 OE2 GLU A 31 -8.859 17.656 -8.951 1.00 3.60 O ATOM 0 H GLU A 31 -8.714 14.519 -4.883 1.00 2.81 H new ATOM 0 HA GLU A 31 -6.667 13.690 -6.789 1.00 2.81 H new ATOM 0 HB2 GLU A 31 -7.580 16.416 -5.748 1.00 2.89 H new ATOM 0 HB3 GLU A 31 -6.363 16.193 -6.989 1.00 2.89 H new ATOM 0 HG2 GLU A 31 -7.934 15.393 -8.569 1.00 3.24 H new ATOM 0 HG3 GLU A 31 -9.128 15.021 -7.341 1.00 3.24 H new ATOM 471 N LEU A 32 -5.889 14.265 -3.733 1.00 2.26 N ATOM 472 CA LEU A 32 -4.745 14.348 -2.807 1.00 1.98 C ATOM 473 C LEU A 32 -3.888 13.105 -2.840 1.00 2.07 C ATOM 474 O LEU A 32 -2.678 13.179 -2.666 1.00 1.98 O ATOM 475 CB LEU A 32 -5.141 14.690 -1.372 1.00 1.69 C ATOM 476 CG LEU A 32 -6.036 13.745 -0.564 1.00 1.74 C ATOM 477 CD1 LEU A 32 -5.297 12.538 0.000 1.00 1.76 C ATOM 478 CD2 LEU A 32 -6.559 14.549 0.573 1.00 1.59 C ATOM 0 H LEU A 32 -6.784 14.049 -3.294 1.00 2.26 H new ATOM 0 HA LEU A 32 -4.149 15.183 -3.176 1.00 1.98 H new ATOM 0 HB2 LEU A 32 -4.218 14.820 -0.807 1.00 1.69 H new ATOM 0 HB3 LEU A 32 -5.638 15.659 -1.398 1.00 1.69 H new ATOM 0 HG LEU A 32 -6.812 13.350 -1.220 1.00 1.74 H new ATOM 0 HD11 LEU A 32 -5.994 11.914 0.560 1.00 1.76 H new ATOM 0 HD12 LEU A 32 -4.868 11.959 -0.818 1.00 1.76 H new ATOM 0 HD13 LEU A 32 -4.500 12.876 0.662 1.00 1.76 H new ATOM 0 HD21 LEU A 32 -7.208 13.927 1.190 1.00 1.59 H new ATOM 0 HD22 LEU A 32 -5.726 14.913 1.175 1.00 1.59 H new ATOM 0 HD23 LEU A 32 -7.127 15.396 0.189 1.00 1.59 H new ATOM 490 N GLY A 33 -4.529 11.955 -3.011 1.00 2.31 N ATOM 491 CA GLY A 33 -3.786 10.709 -3.143 1.00 2.52 C ATOM 492 C GLY A 33 -2.948 10.734 -4.389 1.00 2.75 C ATOM 493 O GLY A 33 -2.027 9.941 -4.545 1.00 2.91 O ATOM 0 H GLY A 33 -5.543 11.859 -3.061 1.00 2.31 H new ATOM 0 HA2 GLY A 33 -3.149 10.563 -2.271 1.00 2.52 H new ATOM 0 HA3 GLY A 33 -4.477 9.867 -3.178 1.00 2.52 H new ATOM 497 N THR A 34 -3.323 11.650 -5.296 1.00 2.81 N ATOM 498 CA THR A 34 -2.590 11.885 -6.524 1.00 3.07 C ATOM 499 C THR A 34 -1.260 12.522 -6.168 1.00 2.93 C ATOM 500 O THR A 34 -0.307 12.550 -6.951 1.00 3.16 O ATOM 501 CB THR A 34 -3.391 12.726 -7.553 1.00 3.23 C ATOM 502 OG1 THR A 34 -4.757 12.289 -7.580 1.00 3.30 O ATOM 503 CG2 THR A 34 -2.806 12.607 -8.959 1.00 3.60 C ATOM 0 H THR A 34 -4.146 12.243 -5.187 1.00 2.81 H new ATOM 0 HA THR A 34 -2.417 10.932 -7.023 1.00 3.07 H new ATOM 0 HB THR A 34 -3.331 13.769 -7.242 1.00 3.23 H new ATOM 0 HG1 THR A 34 -5.259 12.824 -8.230 1.00 3.30 H new ATOM 0 HG21 THR A 34 -3.395 13.210 -9.650 1.00 3.60 H new ATOM 0 HG22 THR A 34 -1.775 12.961 -8.955 1.00 3.60 H new ATOM 0 HG23 THR A 34 -2.830 11.564 -9.276 1.00 3.60 H new ATOM 511 N VAL A 35 -1.265 13.030 -4.949 1.00 2.56 N ATOM 512 CA VAL A 35 -0.083 13.593 -4.302 1.00 2.39 C ATOM 513 C VAL A 35 0.716 12.407 -3.823 1.00 2.44 C ATOM 514 O VAL A 35 1.941 12.436 -3.847 1.00 2.53 O ATOM 515 CB VAL A 35 -0.361 14.497 -3.048 1.00 2.01 C ATOM 516 CG1 VAL A 35 0.936 14.893 -2.339 1.00 1.92 C ATOM 517 CG2 VAL A 35 -1.118 15.759 -3.393 1.00 2.02 C ATOM 0 H VAL A 35 -2.102 13.066 -4.367 1.00 2.56 H new ATOM 0 HA VAL A 35 0.410 14.238 -5.029 1.00 2.39 H new ATOM 0 HB VAL A 35 -0.977 13.888 -2.386 1.00 2.01 H new ATOM 0 HG11 VAL A 35 0.703 15.518 -1.477 1.00 1.92 H new ATOM 0 HG12 VAL A 35 1.458 13.995 -2.006 1.00 1.92 H new ATOM 0 HG13 VAL A 35 1.572 15.448 -3.028 1.00 1.92 H new ATOM 0 HG21 VAL A 35 -1.282 16.344 -2.488 1.00 2.02 H new ATOM 0 HG22 VAL A 35 -0.540 16.347 -4.106 1.00 2.02 H new ATOM 0 HG23 VAL A 35 -2.080 15.497 -3.835 1.00 2.02 H new ATOM 527 N MET A 36 -0.006 11.352 -3.382 1.00 2.44 N ATOM 528 CA MET A 36 0.659 10.170 -2.890 1.00 2.55 C ATOM 529 C MET A 36 1.099 9.230 -4.018 1.00 2.97 C ATOM 530 O MET A 36 2.232 8.741 -4.013 1.00 3.11 O ATOM 531 CB MET A 36 -0.236 9.384 -1.931 1.00 2.49 C ATOM 532 CG MET A 36 -0.344 9.964 -0.529 1.00 2.24 C ATOM 533 SD MET A 36 -1.595 11.256 -0.404 1.00 2.48 S ATOM 534 CE MET A 36 -1.898 11.255 1.362 1.00 1.96 C ATOM 0 H MET A 36 -1.025 11.313 -3.364 1.00 2.44 H new ATOM 0 HA MET A 36 1.544 10.529 -2.365 1.00 2.55 H new ATOM 0 HB2 MET A 36 -1.236 9.322 -2.360 1.00 2.49 H new ATOM 0 HB3 MET A 36 0.143 8.365 -1.858 1.00 2.49 H new ATOM 0 HG2 MET A 36 -0.582 9.165 0.173 1.00 2.24 H new ATOM 0 HG3 MET A 36 0.623 10.371 -0.233 1.00 2.24 H new ATOM 0 HE1 MET A 36 -2.946 11.021 1.551 1.00 1.96 H new ATOM 0 HE2 MET A 36 -1.267 10.505 1.839 1.00 1.96 H new ATOM 0 HE3 MET A 36 -1.666 12.238 1.771 1.00 1.96 H new ATOM 544 N ARG A 37 0.198 9.003 -4.998 1.00 3.18 N ATOM 545 CA ARG A 37 0.432 8.055 -6.089 1.00 3.60 C ATOM 546 C ARG A 37 1.603 8.434 -7.010 1.00 3.77 C ATOM 547 O ARG A 37 2.123 7.585 -7.740 1.00 4.10 O ATOM 548 CB ARG A 37 -0.836 7.938 -6.946 1.00 3.78 C ATOM 549 CG ARG A 37 -1.684 6.702 -6.672 1.00 4.18 C ATOM 550 CD ARG A 37 -1.200 5.491 -7.464 1.00 4.52 C ATOM 551 NE ARG A 37 -2.133 4.363 -7.375 1.00 4.90 N ATOM 552 CZ ARG A 37 -2.028 3.227 -8.080 1.00 5.36 C ATOM 553 NH1 ARG A 37 -1.029 3.041 -8.942 1.00 5.45 N ATOM 554 NH2 ARG A 37 -2.931 2.270 -7.918 1.00 5.91 N ATOM 0 H ARG A 37 -0.706 9.474 -5.048 1.00 3.18 H new ATOM 0 HA ARG A 37 0.691 7.110 -5.612 1.00 3.60 H new ATOM 0 HB2 ARG A 37 -1.449 8.825 -6.784 1.00 3.78 H new ATOM 0 HB3 ARG A 37 -0.548 7.937 -7.997 1.00 3.78 H new ATOM 0 HG2 ARG A 37 -1.658 6.473 -5.607 1.00 4.18 H new ATOM 0 HG3 ARG A 37 -2.723 6.911 -6.927 1.00 4.18 H new ATOM 0 HD2 ARG A 37 -1.070 5.771 -8.509 1.00 4.52 H new ATOM 0 HD3 ARG A 37 -0.223 5.183 -7.092 1.00 4.52 H new ATOM 0 HE ARG A 37 -2.919 4.449 -6.730 1.00 4.90 H new ATOM 0 HH11 ARG A 37 -0.327 3.769 -9.075 1.00 5.45 H new ATOM 0 HH12 ARG A 37 -0.966 2.170 -9.469 1.00 5.45 H new ATOM 0 HH21 ARG A 37 -3.700 2.400 -7.260 1.00 5.91 H new ATOM 0 HH22 ARG A 37 -2.857 1.404 -8.451 1.00 5.91 H new ATOM 568 N SER A 38 2.003 9.706 -6.961 1.00 3.57 N ATOM 569 CA SER A 38 3.081 10.238 -7.815 1.00 3.76 C ATOM 570 C SER A 38 4.489 9.848 -7.345 1.00 3.81 C ATOM 571 O SER A 38 5.456 10.011 -8.098 1.00 4.08 O ATOM 572 CB SER A 38 2.973 11.762 -7.896 1.00 3.59 C ATOM 573 OG SER A 38 1.792 12.155 -8.572 1.00 3.89 O ATOM 0 H SER A 38 1.595 10.398 -6.333 1.00 3.57 H new ATOM 0 HA SER A 38 2.944 9.788 -8.798 1.00 3.76 H new ATOM 0 HB2 SER A 38 2.978 12.184 -6.891 1.00 3.59 H new ATOM 0 HB3 SER A 38 3.843 12.164 -8.415 1.00 3.59 H new ATOM 0 HG SER A 38 1.022 12.049 -7.975 1.00 3.89 H new ATOM 579 N LEU A 39 4.605 9.333 -6.118 1.00 3.59 N ATOM 580 CA LEU A 39 5.910 8.936 -5.571 1.00 3.65 C ATOM 581 C LEU A 39 6.060 7.413 -5.518 1.00 3.91 C ATOM 582 O LEU A 39 7.143 6.899 -5.215 1.00 4.06 O ATOM 583 CB LEU A 39 6.124 9.532 -4.172 1.00 3.29 C ATOM 584 CG LEU A 39 5.892 11.042 -4.064 1.00 3.06 C ATOM 585 CD1 LEU A 39 4.452 11.322 -3.695 1.00 2.78 C ATOM 586 CD2 LEU A 39 6.829 11.672 -3.054 1.00 3.19 C ATOM 0 H LEU A 39 3.819 9.181 -5.487 1.00 3.59 H new ATOM 0 HA LEU A 39 6.672 9.330 -6.243 1.00 3.65 H new ATOM 0 HB2 LEU A 39 5.457 9.027 -3.474 1.00 3.29 H new ATOM 0 HB3 LEU A 39 7.143 9.313 -3.853 1.00 3.29 H new ATOM 0 HG LEU A 39 6.103 11.488 -5.036 1.00 3.06 H new ATOM 0 HD11 LEU A 39 4.298 12.399 -3.621 1.00 2.78 H new ATOM 0 HD12 LEU A 39 3.794 10.913 -4.462 1.00 2.78 H new ATOM 0 HD13 LEU A 39 4.225 10.856 -2.736 1.00 2.78 H new ATOM 0 HD21 LEU A 39 6.639 12.744 -3.001 1.00 3.19 H new ATOM 0 HD22 LEU A 39 6.662 11.225 -2.074 1.00 3.19 H new ATOM 0 HD23 LEU A 39 7.861 11.501 -3.359 1.00 3.19 H new ATOM 598 N GLY A 40 4.969 6.705 -5.826 1.00 4.01 N ATOM 599 CA GLY A 40 4.970 5.250 -5.802 1.00 4.30 C ATOM 600 C GLY A 40 4.301 4.694 -4.557 1.00 4.16 C ATOM 601 O GLY A 40 4.646 3.602 -4.098 1.00 4.36 O ATOM 0 H GLY A 40 4.077 7.121 -6.094 1.00 4.01 H new ATOM 0 HA2 GLY A 40 4.456 4.874 -6.687 1.00 4.30 H new ATOM 0 HA3 GLY A 40 5.997 4.889 -5.852 1.00 4.30 H new ATOM 605 N GLN A 41 3.340 5.457 -4.015 1.00 3.86 N ATOM 606 CA GLN A 41 2.601 5.069 -2.813 1.00 3.74 C ATOM 607 C GLN A 41 1.170 5.557 -2.953 1.00 3.60 C ATOM 608 O GLN A 41 0.933 6.757 -3.045 1.00 3.46 O ATOM 609 CB GLN A 41 3.230 5.687 -1.549 1.00 3.47 C ATOM 610 CG GLN A 41 4.597 5.121 -1.174 1.00 3.68 C ATOM 611 CD GLN A 41 5.727 6.099 -1.439 1.00 3.94 C ATOM 612 OE1 GLN A 41 6.315 6.020 -2.627 1.00 4.34 O flip ATOM 613 NE2 GLN A 41 6.071 6.913 -0.583 1.00 4.15 N flip ATOM 0 H GLN A 41 3.057 6.358 -4.400 1.00 3.86 H new ATOM 0 HA GLN A 41 2.633 3.984 -2.710 1.00 3.74 H new ATOM 0 HB2 GLN A 41 3.325 6.763 -1.696 1.00 3.47 H new ATOM 0 HB3 GLN A 41 2.549 5.539 -0.711 1.00 3.47 H new ATOM 0 HG2 GLN A 41 4.596 4.850 -0.118 1.00 3.68 H new ATOM 0 HG3 GLN A 41 4.774 4.205 -1.738 1.00 3.68 H new ATOM 0 HE21 GLN A 41 5.592 6.940 0.317 1.00 4.15 H new ATOM 0 HE22 GLN A 41 6.835 7.561 -0.773 1.00 4.15 H new ATOM 622 N ASN A 42 0.214 4.641 -2.953 1.00 3.76 N ATOM 623 CA ASN A 42 -1.171 5.025 -3.113 1.00 3.68 C ATOM 624 C ASN A 42 -1.962 4.867 -1.789 1.00 3.53 C ATOM 625 O ASN A 42 -1.740 3.885 -1.074 1.00 3.67 O ATOM 626 CB ASN A 42 -1.832 4.197 -4.235 1.00 4.06 C ATOM 627 CG ASN A 42 -1.806 2.692 -3.990 1.00 4.60 C ATOM 628 OD1 ASN A 42 -2.724 2.133 -3.390 1.00 4.82 O ATOM 629 ND2 ASN A 42 -0.750 2.034 -4.454 1.00 5.19 N ATOM 0 H ASN A 42 0.373 3.639 -2.845 1.00 3.76 H new ATOM 0 HA ASN A 42 -1.193 6.079 -3.390 1.00 3.68 H new ATOM 0 HB2 ASN A 42 -2.867 4.519 -4.349 1.00 4.06 H new ATOM 0 HB3 ASN A 42 -1.326 4.411 -5.177 1.00 4.06 H new ATOM 0 HD21 ASN A 42 -0.677 1.026 -4.318 1.00 5.19 H new ATOM 0 HD22 ASN A 42 -0.011 2.537 -4.946 1.00 5.19 H new ATOM 636 N PRO A 43 -2.891 5.812 -1.429 1.00 3.30 N ATOM 637 CA PRO A 43 -3.697 5.710 -0.198 1.00 3.22 C ATOM 638 C PRO A 43 -5.004 4.927 -0.412 1.00 3.54 C ATOM 639 O PRO A 43 -5.336 4.570 -1.547 1.00 3.81 O ATOM 640 CB PRO A 43 -4.001 7.178 0.152 1.00 2.89 C ATOM 641 CG PRO A 43 -3.541 8.009 -1.012 1.00 2.92 C ATOM 642 CD PRO A 43 -3.221 7.063 -2.142 1.00 3.17 C ATOM 0 HA PRO A 43 -3.170 5.169 0.588 1.00 3.22 H new ATOM 0 HB2 PRO A 43 -5.067 7.320 0.330 1.00 2.89 H new ATOM 0 HB3 PRO A 43 -3.483 7.472 1.065 1.00 2.89 H new ATOM 0 HG2 PRO A 43 -4.316 8.715 -1.310 1.00 2.92 H new ATOM 0 HG3 PRO A 43 -2.663 8.595 -0.742 1.00 2.92 H new ATOM 0 HD2 PRO A 43 -4.068 6.935 -2.816 1.00 3.17 H new ATOM 0 HD3 PRO A 43 -2.385 7.419 -2.745 1.00 3.17 H new ATOM 650 N THR A 44 -5.741 4.663 0.685 1.00 3.56 N ATOM 651 CA THR A 44 -7.016 3.926 0.620 1.00 3.90 C ATOM 652 C THR A 44 -8.144 4.823 0.084 1.00 3.85 C ATOM 653 O THR A 44 -7.990 6.044 0.023 1.00 3.54 O ATOM 654 CB THR A 44 -7.427 3.355 2.000 1.00 4.01 C ATOM 655 OG1 THR A 44 -6.302 3.324 2.889 1.00 3.86 O ATOM 656 CG2 THR A 44 -7.991 1.948 1.856 1.00 4.50 C ATOM 0 H THR A 44 -5.474 4.950 1.627 1.00 3.56 H new ATOM 0 HA THR A 44 -6.860 3.092 -0.064 1.00 3.90 H new ATOM 0 HB THR A 44 -8.196 4.008 2.414 1.00 4.01 H new ATOM 0 HG1 THR A 44 -6.530 2.803 3.687 1.00 3.86 H new ATOM 0 HG21 THR A 44 -8.273 1.567 2.837 1.00 4.50 H new ATOM 0 HG22 THR A 44 -8.869 1.972 1.210 1.00 4.50 H new ATOM 0 HG23 THR A 44 -7.236 1.296 1.417 1.00 4.50 H new ATOM 664 N GLU A 45 -9.269 4.205 -0.301 1.00 4.21 N ATOM 665 CA GLU A 45 -10.423 4.931 -0.861 1.00 4.27 C ATOM 666 C GLU A 45 -11.301 5.600 0.208 1.00 4.16 C ATOM 667 O GLU A 45 -11.768 6.725 0.006 1.00 4.02 O ATOM 668 CB GLU A 45 -11.281 3.985 -1.708 1.00 4.73 C ATOM 669 CG GLU A 45 -10.656 3.619 -3.046 1.00 4.87 C ATOM 670 CD GLU A 45 -11.530 2.685 -3.861 1.00 5.41 C ATOM 671 OE1 GLU A 45 -11.380 1.454 -3.716 1.00 5.67 O ATOM 672 OE2 GLU A 45 -12.364 3.186 -4.644 1.00 5.89 O ATOM 0 H GLU A 45 -9.407 3.197 -0.235 1.00 4.21 H new ATOM 0 HA GLU A 45 -10.011 5.729 -1.479 1.00 4.27 H new ATOM 0 HB2 GLU A 45 -11.465 3.072 -1.142 1.00 4.73 H new ATOM 0 HB3 GLU A 45 -12.250 4.450 -1.886 1.00 4.73 H new ATOM 0 HG2 GLU A 45 -10.471 4.529 -3.617 1.00 4.87 H new ATOM 0 HG3 GLU A 45 -9.688 3.148 -2.874 1.00 4.87 H new ATOM 679 N ALA A 46 -11.520 4.909 1.335 1.00 4.29 N ATOM 680 CA ALA A 46 -12.373 5.427 2.416 1.00 4.30 C ATOM 681 C ALA A 46 -11.605 6.247 3.454 1.00 3.96 C ATOM 682 O ALA A 46 -12.146 7.210 4.005 1.00 3.93 O ATOM 683 CB ALA A 46 -13.091 4.281 3.108 1.00 4.70 C ATOM 0 H ALA A 46 -11.119 3.990 1.523 1.00 4.29 H new ATOM 0 HA ALA A 46 -13.091 6.099 1.945 1.00 4.30 H new ATOM 0 HB1 ALA A 46 -13.720 4.675 3.907 1.00 4.70 H new ATOM 0 HB2 ALA A 46 -13.712 3.751 2.385 1.00 4.70 H new ATOM 0 HB3 ALA A 46 -12.358 3.594 3.529 1.00 4.70 H new ATOM 689 N GLU A 47 -10.348 5.864 3.716 1.00 3.76 N ATOM 690 CA GLU A 47 -9.506 6.539 4.715 1.00 3.47 C ATOM 691 C GLU A 47 -9.212 7.998 4.381 1.00 3.09 C ATOM 692 O GLU A 47 -8.917 8.784 5.283 1.00 2.91 O ATOM 693 CB GLU A 47 -8.208 5.755 4.940 1.00 3.43 C ATOM 694 CG GLU A 47 -8.400 4.458 5.713 1.00 3.78 C ATOM 695 CD GLU A 47 -7.088 3.779 6.056 1.00 3.77 C ATOM 696 OE1 GLU A 47 -6.791 2.725 5.457 1.00 3.72 O ATOM 697 OE2 GLU A 47 -6.358 4.303 6.924 1.00 4.19 O ATOM 0 H GLU A 47 -9.888 5.084 3.246 1.00 3.76 H new ATOM 0 HA GLU A 47 -10.081 6.556 5.641 1.00 3.47 H new ATOM 0 HB2 GLU A 47 -7.760 5.528 3.973 1.00 3.43 H new ATOM 0 HB3 GLU A 47 -7.502 6.387 5.478 1.00 3.43 H new ATOM 0 HG2 GLU A 47 -8.948 4.666 6.632 1.00 3.78 H new ATOM 0 HG3 GLU A 47 -9.013 3.776 5.124 1.00 3.78 H new ATOM 704 N LEU A 48 -9.289 8.365 3.096 1.00 3.03 N ATOM 705 CA LEU A 48 -9.081 9.763 2.678 1.00 2.71 C ATOM 706 C LEU A 48 -10.122 10.670 3.323 1.00 2.75 C ATOM 707 O LEU A 48 -9.897 11.858 3.507 1.00 2.53 O ATOM 708 CB LEU A 48 -9.201 9.940 1.168 1.00 2.77 C ATOM 709 CG LEU A 48 -8.442 8.948 0.302 1.00 2.90 C ATOM 710 CD1 LEU A 48 -9.204 8.665 -0.985 1.00 3.19 C ATOM 711 CD2 LEU A 48 -7.079 9.515 0.000 1.00 2.63 C ATOM 0 H LEU A 48 -9.492 7.722 2.331 1.00 3.03 H new ATOM 0 HA LEU A 48 -8.072 10.028 2.994 1.00 2.71 H new ATOM 0 HB2 LEU A 48 -10.257 9.886 0.902 1.00 2.77 H new ATOM 0 HB3 LEU A 48 -8.859 10.944 0.915 1.00 2.77 H new ATOM 0 HG LEU A 48 -8.335 8.003 0.835 1.00 2.90 H new ATOM 0 HD11 LEU A 48 -8.644 7.953 -1.591 1.00 3.19 H new ATOM 0 HD12 LEU A 48 -10.182 8.247 -0.745 1.00 3.19 H new ATOM 0 HD13 LEU A 48 -9.333 9.593 -1.543 1.00 3.19 H new ATOM 0 HD21 LEU A 48 -6.523 8.813 -0.621 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -7.188 10.461 -0.530 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -6.539 9.681 0.932 1.00 2.63 H new ATOM 723 N GLN A 49 -11.279 10.081 3.625 1.00 3.08 N ATOM 724 CA GLN A 49 -12.382 10.792 4.262 1.00 3.22 C ATOM 725 C GLN A 49 -12.170 10.933 5.773 1.00 3.25 C ATOM 726 O GLN A 49 -12.504 11.975 6.337 1.00 3.25 O ATOM 727 CB GLN A 49 -13.706 10.070 3.994 1.00 3.61 C ATOM 728 CG GLN A 49 -14.212 10.218 2.566 1.00 3.67 C ATOM 729 CD GLN A 49 -15.521 9.487 2.333 1.00 4.10 C ATOM 730 OE1 GLN A 49 -15.532 8.315 1.957 1.00 4.58 O ATOM 731 NE2 GLN A 49 -16.632 10.179 2.555 1.00 4.30 N ATOM 0 H GLN A 49 -11.476 9.098 3.434 1.00 3.08 H new ATOM 0 HA GLN A 49 -12.417 11.792 3.830 1.00 3.22 H new ATOM 0 HB2 GLN A 49 -13.582 9.010 4.217 1.00 3.61 H new ATOM 0 HB3 GLN A 49 -14.463 10.453 4.679 1.00 3.61 H new ATOM 0 HG2 GLN A 49 -14.345 11.276 2.339 1.00 3.67 H new ATOM 0 HG3 GLN A 49 -13.459 9.837 1.876 1.00 3.67 H new ATOM 0 HE21 GLN A 49 -16.575 11.149 2.866 1.00 4.30 H new ATOM 0 HE22 GLN A 49 -17.542 9.741 2.414 1.00 4.30 H new ATOM 740 N ASP A 50 -11.624 9.885 6.423 1.00 3.34 N ATOM 741 CA ASP A 50 -11.407 9.915 7.877 1.00 3.43 C ATOM 742 C ASP A 50 -10.048 10.500 8.302 1.00 3.13 C ATOM 743 O ASP A 50 -10.002 11.360 9.183 1.00 3.13 O ATOM 744 CB ASP A 50 -11.574 8.532 8.482 1.00 3.76 C ATOM 745 CG ASP A 50 -13.001 8.019 8.398 1.00 4.11 C ATOM 746 OD1 ASP A 50 -13.338 7.364 7.389 1.00 4.38 O ATOM 747 OD2 ASP A 50 -13.779 8.272 9.342 1.00 4.38 O ATOM 0 H ASP A 50 -11.330 9.020 5.968 1.00 3.34 H new ATOM 0 HA ASP A 50 -12.172 10.589 8.262 1.00 3.43 H new ATOM 0 HB2 ASP A 50 -10.912 7.834 7.970 1.00 3.76 H new ATOM 0 HB3 ASP A 50 -11.263 8.558 9.526 1.00 3.76 H new ATOM 752 N MET A 51 -8.938 10.017 7.707 1.00 2.93 N ATOM 753 CA MET A 51 -7.579 10.512 8.055 1.00 2.66 C ATOM 754 C MET A 51 -7.455 11.982 7.742 1.00 2.39 C ATOM 755 O MET A 51 -6.840 12.746 8.490 1.00 2.30 O ATOM 756 CB MET A 51 -6.476 9.722 7.332 1.00 2.59 C ATOM 757 CG MET A 51 -6.707 8.211 7.282 1.00 2.35 C ATOM 758 SD MET A 51 -5.559 7.329 6.190 1.00 2.18 S ATOM 759 CE MET A 51 -5.804 8.147 4.607 1.00 2.48 C ATOM 0 H MET A 51 -8.949 9.292 6.990 1.00 2.93 H new ATOM 0 HA MET A 51 -7.445 10.361 9.126 1.00 2.66 H new ATOM 0 HB2 MET A 51 -6.387 10.097 6.312 1.00 2.59 H new ATOM 0 HB3 MET A 51 -5.524 9.915 7.827 1.00 2.59 H new ATOM 0 HG2 MET A 51 -6.618 7.806 8.290 1.00 2.35 H new ATOM 0 HG3 MET A 51 -7.728 8.020 6.951 1.00 2.35 H new ATOM 0 HE1 MET A 51 -6.006 7.400 3.839 1.00 2.48 H new ATOM 0 HE2 MET A 51 -6.649 8.832 4.678 1.00 2.48 H new ATOM 0 HE3 MET A 51 -4.906 8.705 4.343 1.00 2.48 H new ATOM 769 N ILE A 52 -8.052 12.356 6.626 1.00 2.33 N ATOM 770 CA ILE A 52 -8.105 13.731 6.181 1.00 2.15 C ATOM 771 C ILE A 52 -9.052 14.519 7.077 1.00 2.40 C ATOM 772 O ILE A 52 -8.965 15.730 7.175 1.00 2.36 O ATOM 773 CB ILE A 52 -8.523 13.770 4.693 1.00 2.10 C ATOM 774 CG1 ILE A 52 -7.274 13.829 3.831 1.00 1.78 C ATOM 775 CG2 ILE A 52 -9.489 14.901 4.344 1.00 2.22 C ATOM 776 CD1 ILE A 52 -6.905 12.502 3.205 1.00 1.85 C ATOM 0 H ILE A 52 -8.519 11.703 5.997 1.00 2.33 H new ATOM 0 HA ILE A 52 -7.124 14.199 6.257 1.00 2.15 H new ATOM 0 HB ILE A 52 -9.081 12.856 4.491 1.00 2.10 H new ATOM 0 HG12 ILE A 52 -7.423 14.565 3.041 1.00 1.78 H new ATOM 0 HG13 ILE A 52 -6.440 14.179 4.439 1.00 1.78 H new ATOM 0 HG21 ILE A 52 -9.732 14.857 3.282 1.00 2.22 H new ATOM 0 HG22 ILE A 52 -10.402 14.794 4.930 1.00 2.22 H new ATOM 0 HG23 ILE A 52 -9.023 15.860 4.571 1.00 2.22 H new ATOM 0 HD11 ILE A 52 -6.004 12.621 2.604 1.00 1.85 H new ATOM 0 HD12 ILE A 52 -6.723 11.768 3.990 1.00 1.85 H new ATOM 0 HD13 ILE A 52 -7.722 12.160 2.570 1.00 1.85 H new ATOM 788 N ASN A 53 -9.936 13.788 7.743 1.00 2.72 N ATOM 789 CA ASN A 53 -10.898 14.365 8.665 1.00 3.03 C ATOM 790 C ASN A 53 -10.238 14.701 9.976 1.00 3.09 C ATOM 791 O ASN A 53 -10.804 15.347 10.854 1.00 3.36 O ATOM 792 CB ASN A 53 -12.055 13.385 8.874 1.00 3.37 C ATOM 793 CG ASN A 53 -13.254 13.988 9.591 1.00 3.66 C ATOM 794 OD1 ASN A 53 -13.341 13.952 10.818 1.00 3.89 O ATOM 795 ND2 ASN A 53 -14.184 14.544 8.823 1.00 3.98 N ATOM 0 H ASN A 53 -10.004 12.774 7.657 1.00 2.72 H new ATOM 0 HA ASN A 53 -11.290 15.290 8.242 1.00 3.03 H new ATOM 0 HB2 ASN A 53 -12.377 13.007 7.904 1.00 3.37 H new ATOM 0 HB3 ASN A 53 -11.695 12.530 9.446 1.00 3.37 H new ATOM 0 HD21 ASN A 53 -15.011 14.964 9.247 1.00 3.98 H new ATOM 0 HD22 ASN A 53 -14.071 14.551 7.809 1.00 3.98 H new ATOM 802 N GLU A 54 -9.070 14.174 10.083 1.00 2.90 N ATOM 803 CA GLU A 54 -8.203 14.400 11.226 1.00 2.96 C ATOM 804 C GLU A 54 -7.358 15.658 11.018 1.00 2.77 C ATOM 805 O GLU A 54 -6.842 16.234 11.981 1.00 2.93 O ATOM 806 CB GLU A 54 -7.295 13.185 11.450 1.00 2.91 C ATOM 807 CG GLU A 54 -8.031 11.951 11.954 1.00 3.22 C ATOM 808 CD GLU A 54 -7.123 10.743 12.087 1.00 3.25 C ATOM 809 OE1 GLU A 54 -6.995 9.986 11.102 1.00 3.56 O ATOM 810 OE2 GLU A 54 -6.540 10.556 13.175 1.00 3.40 O ATOM 0 H GLU A 54 -8.666 13.560 9.376 1.00 2.90 H new ATOM 0 HA GLU A 54 -8.826 14.543 12.109 1.00 2.96 H new ATOM 0 HB2 GLU A 54 -6.794 12.940 10.513 1.00 2.91 H new ATOM 0 HB3 GLU A 54 -6.518 13.451 12.167 1.00 2.91 H new ATOM 0 HG2 GLU A 54 -8.481 12.171 12.922 1.00 3.22 H new ATOM 0 HG3 GLU A 54 -8.846 11.714 11.270 1.00 3.22 H new ATOM 817 N VAL A 55 -7.229 16.067 9.752 1.00 2.49 N ATOM 818 CA VAL A 55 -6.439 17.245 9.394 1.00 2.36 C ATOM 819 C VAL A 55 -7.200 18.261 8.543 1.00 2.40 C ATOM 820 O VAL A 55 -6.847 19.446 8.543 1.00 2.49 O ATOM 821 CB VAL A 55 -5.099 16.814 8.719 1.00 1.99 C ATOM 822 CG1 VAL A 55 -4.446 17.924 7.893 1.00 2.37 C ATOM 823 CG2 VAL A 55 -4.129 16.313 9.776 1.00 2.07 C ATOM 0 H VAL A 55 -7.663 15.597 8.958 1.00 2.49 H new ATOM 0 HA VAL A 55 -6.214 17.766 10.325 1.00 2.36 H new ATOM 0 HB VAL A 55 -5.345 16.015 8.020 1.00 1.99 H new ATOM 0 HG11 VAL A 55 -3.520 17.554 7.454 1.00 2.37 H new ATOM 0 HG12 VAL A 55 -5.125 18.234 7.099 1.00 2.37 H new ATOM 0 HG13 VAL A 55 -4.227 18.776 8.537 1.00 2.37 H new ATOM 0 HG21 VAL A 55 -3.195 16.013 9.300 1.00 2.07 H new ATOM 0 HG22 VAL A 55 -3.931 17.108 10.495 1.00 2.07 H new ATOM 0 HG23 VAL A 55 -4.564 15.457 10.293 1.00 2.07 H new ATOM 833 N ALA A 56 -8.247 17.829 7.855 1.00 2.43 N ATOM 834 CA ALA A 56 -8.995 18.743 7.005 1.00 2.53 C ATOM 835 C ALA A 56 -10.286 19.124 7.710 1.00 2.90 C ATOM 836 O ALA A 56 -11.216 19.683 7.117 1.00 3.05 O ATOM 837 CB ALA A 56 -9.232 18.116 5.640 1.00 2.36 C ATOM 0 H ALA A 56 -8.593 16.870 7.867 1.00 2.43 H new ATOM 0 HA ALA A 56 -8.426 19.657 6.831 1.00 2.53 H new ATOM 0 HB1 ALA A 56 -9.793 18.810 5.013 1.00 2.36 H new ATOM 0 HB2 ALA A 56 -8.274 17.895 5.170 1.00 2.36 H new ATOM 0 HB3 ALA A 56 -9.800 17.193 5.757 1.00 2.36 H new ATOM 843 N ALA A 57 -10.296 18.818 9.011 1.00 3.08 N ATOM 844 CA ALA A 57 -11.421 19.099 9.875 1.00 3.45 C ATOM 845 C ALA A 57 -11.194 20.351 10.692 1.00 3.67 C ATOM 846 O ALA A 57 -10.129 20.551 11.282 1.00 3.69 O ATOM 847 CB ALA A 57 -11.726 17.921 10.778 1.00 3.64 C ATOM 0 H ALA A 57 -9.515 18.366 9.486 1.00 3.08 H new ATOM 0 HA ALA A 57 -12.286 19.270 9.234 1.00 3.45 H new ATOM 0 HB1 ALA A 57 -12.576 18.162 11.416 1.00 3.64 H new ATOM 0 HB2 ALA A 57 -11.964 17.048 10.170 1.00 3.64 H new ATOM 0 HB3 ALA A 57 -10.857 17.704 11.399 1.00 3.64 H new ATOM 853 N ASP A 58 -12.254 21.159 10.716 1.00 3.94 N ATOM 854 CA ASP A 58 -12.344 22.473 11.388 1.00 4.23 C ATOM 855 C ASP A 58 -13.241 23.366 10.532 1.00 4.25 C ATOM 856 O ASP A 58 -13.654 24.450 10.956 1.00 4.54 O ATOM 857 CB ASP A 58 -10.974 23.168 11.575 1.00 4.40 C ATOM 858 CG ASP A 58 -10.968 24.155 12.730 1.00 4.54 C ATOM 859 OD1 ASP A 58 -11.281 25.341 12.499 1.00 4.74 O ATOM 860 OD2 ASP A 58 -10.650 23.739 13.865 1.00 4.85 O ATOM 0 H ASP A 58 -13.123 20.909 10.245 1.00 3.94 H new ATOM 0 HA ASP A 58 -12.746 22.311 12.388 1.00 4.23 H new ATOM 0 HB2 ASP A 58 -10.208 22.411 11.745 1.00 4.40 H new ATOM 0 HB3 ASP A 58 -10.708 23.690 10.656 1.00 4.40 H new ATOM 865 N GLY A 59 -13.534 22.873 9.318 1.00 4.05 N ATOM 866 CA GLY A 59 -14.364 23.604 8.371 1.00 4.27 C ATOM 867 C GLY A 59 -13.773 23.605 6.972 1.00 4.03 C ATOM 868 O GLY A 59 -12.961 22.737 6.639 1.00 4.23 O ATOM 0 H GLY A 59 -13.204 21.970 8.977 1.00 4.05 H new ATOM 0 HA2 GLY A 59 -15.359 23.159 8.343 1.00 4.27 H new ATOM 0 HA3 GLY A 59 -14.484 24.632 8.714 1.00 4.27 H new ATOM 872 N ASN A 60 -14.190 24.595 6.150 1.00 3.90 N ATOM 873 CA ASN A 60 -13.733 24.771 4.744 1.00 3.86 C ATOM 874 C ASN A 60 -14.288 23.699 3.803 1.00 3.69 C ATOM 875 O ASN A 60 -14.803 24.013 2.725 1.00 3.78 O ATOM 876 CB ASN A 60 -12.195 24.838 4.631 1.00 3.90 C ATOM 877 CG ASN A 60 -11.616 26.080 5.282 1.00 4.10 C ATOM 878 OD1 ASN A 60 -11.465 27.119 4.639 1.00 4.42 O ATOM 879 ND2 ASN A 60 -11.288 25.978 6.565 1.00 4.29 N ATOM 0 H ASN A 60 -14.861 25.305 6.444 1.00 3.90 H new ATOM 0 HA ASN A 60 -14.138 25.732 4.426 1.00 3.86 H new ATOM 0 HB2 ASN A 60 -11.761 23.953 5.096 1.00 3.90 H new ATOM 0 HB3 ASN A 60 -11.910 24.817 3.579 1.00 3.90 H new ATOM 0 HD21 ASN A 60 -10.894 26.780 7.056 1.00 4.29 H new ATOM 0 HD22 ASN A 60 -11.430 25.097 7.059 1.00 4.29 H new ATOM 886 N GLY A 61 -14.172 22.449 4.227 1.00 3.52 N ATOM 887 CA GLY A 61 -14.659 21.318 3.446 1.00 3.44 C ATOM 888 C GLY A 61 -13.570 20.599 2.660 1.00 3.11 C ATOM 889 O GLY A 61 -13.861 19.623 1.962 1.00 3.10 O ATOM 0 H GLY A 61 -13.741 22.190 5.115 1.00 3.52 H new ATOM 0 HA2 GLY A 61 -15.140 20.606 4.116 1.00 3.44 H new ATOM 0 HA3 GLY A 61 -15.423 21.669 2.752 1.00 3.44 H new ATOM 893 N THR A 62 -12.321 21.074 2.769 1.00 2.91 N ATOM 894 CA THR A 62 -11.195 20.459 2.063 1.00 2.61 C ATOM 895 C THR A 62 -9.952 20.322 2.956 1.00 2.41 C ATOM 896 O THR A 62 -9.988 20.644 4.147 1.00 2.55 O ATOM 897 CB THR A 62 -10.848 21.212 0.757 1.00 2.62 C ATOM 898 OG1 THR A 62 -10.933 22.627 0.957 1.00 2.84 O ATOM 899 CG2 THR A 62 -11.788 20.787 -0.363 1.00 2.75 C ATOM 0 H THR A 62 -12.068 21.881 3.339 1.00 2.91 H new ATOM 0 HA THR A 62 -11.520 19.454 1.794 1.00 2.61 H new ATOM 0 HB THR A 62 -9.826 20.960 0.475 1.00 2.62 H new ATOM 0 HG1 THR A 62 -10.915 23.082 0.089 1.00 2.84 H new ATOM 0 HG21 THR A 62 -11.533 21.325 -1.276 1.00 2.75 H new ATOM 0 HG22 THR A 62 -11.690 19.715 -0.534 1.00 2.75 H new ATOM 0 HG23 THR A 62 -12.816 21.017 -0.082 1.00 2.75 H new ATOM 907 N ILE A 63 -8.860 19.852 2.345 1.00 2.14 N ATOM 908 CA ILE A 63 -7.596 19.577 3.016 1.00 1.93 C ATOM 909 C ILE A 63 -6.567 20.644 2.783 1.00 1.95 C ATOM 910 O ILE A 63 -6.365 21.067 1.661 1.00 1.99 O ATOM 911 CB ILE A 63 -6.862 18.354 2.450 1.00 1.63 C ATOM 912 CG1 ILE A 63 -7.583 17.701 1.254 1.00 1.70 C ATOM 913 CG2 ILE A 63 -6.463 17.308 3.499 1.00 1.51 C ATOM 914 CD1 ILE A 63 -8.830 16.916 1.608 1.00 1.95 C ATOM 0 H ILE A 63 -8.835 19.649 1.346 1.00 2.14 H new ATOM 0 HA ILE A 63 -7.909 19.469 4.054 1.00 1.93 H new ATOM 0 HB ILE A 63 -5.929 18.773 2.074 1.00 1.63 H new ATOM 0 HG12 ILE A 63 -7.853 18.481 0.542 1.00 1.70 H new ATOM 0 HG13 ILE A 63 -6.884 17.035 0.748 1.00 1.70 H new ATOM 0 HG21 ILE A 63 -5.950 16.480 3.010 1.00 1.51 H new ATOM 0 HG22 ILE A 63 -5.798 17.764 4.233 1.00 1.51 H new ATOM 0 HG23 ILE A 63 -7.357 16.936 4.000 1.00 1.51 H new ATOM 0 HD11 ILE A 63 -9.265 16.496 0.701 1.00 1.95 H new ATOM 0 HD12 ILE A 63 -8.570 16.109 2.293 1.00 1.95 H new ATOM 0 HD13 ILE A 63 -9.553 17.578 2.084 1.00 1.95 H new ATOM 926 N ASP A 64 -5.845 20.971 3.823 1.00 2.01 N ATOM 927 CA ASP A 64 -4.762 21.920 3.740 1.00 2.12 C ATOM 928 C ASP A 64 -3.438 21.140 3.654 1.00 1.86 C ATOM 929 O ASP A 64 -3.402 19.958 4.008 1.00 1.62 O ATOM 930 CB ASP A 64 -4.766 22.923 4.904 1.00 2.46 C ATOM 931 CG ASP A 64 -4.675 22.280 6.284 1.00 2.46 C ATOM 932 OD1 ASP A 64 -5.736 21.971 6.866 1.00 2.68 O ATOM 933 OD2 ASP A 64 -3.544 22.089 6.776 1.00 2.74 O ATOM 0 H ASP A 64 -5.991 20.586 4.756 1.00 2.01 H new ATOM 0 HA ASP A 64 -4.888 22.525 2.842 1.00 2.12 H new ATOM 0 HB2 ASP A 64 -3.929 23.610 4.780 1.00 2.46 H new ATOM 0 HB3 ASP A 64 -5.677 23.519 4.852 1.00 2.46 H new ATOM 938 N PHE A 65 -2.361 21.788 3.201 1.00 1.97 N ATOM 939 CA PHE A 65 -1.072 21.101 3.014 1.00 1.80 C ATOM 940 C PHE A 65 -0.246 20.866 4.320 1.00 1.83 C ATOM 941 O PHE A 65 0.282 19.765 4.487 1.00 1.60 O ATOM 942 CB PHE A 65 -0.208 21.864 1.991 1.00 2.04 C ATOM 943 CG PHE A 65 0.964 21.074 1.441 1.00 1.95 C ATOM 944 CD1 PHE A 65 0.746 19.970 0.640 1.00 2.40 C ATOM 945 CD2 PHE A 65 2.272 21.442 1.713 1.00 2.11 C ATOM 946 CE1 PHE A 65 1.785 19.239 0.114 1.00 2.45 C ATOM 947 CE2 PHE A 65 3.329 20.716 1.194 1.00 2.08 C ATOM 948 CZ PHE A 65 3.083 19.613 0.393 1.00 1.96 C ATOM 0 H PHE A 65 -2.351 22.779 2.958 1.00 1.97 H new ATOM 0 HA PHE A 65 -1.334 20.108 2.648 1.00 1.80 H new ATOM 0 HB2 PHE A 65 -0.841 22.175 1.160 1.00 2.04 H new ATOM 0 HB3 PHE A 65 0.171 22.772 2.460 1.00 2.04 H new ATOM 0 HD1 PHE A 65 -0.269 19.673 0.421 1.00 2.40 H new ATOM 0 HD2 PHE A 65 2.468 22.303 2.335 1.00 2.11 H new ATOM 0 HE1 PHE A 65 1.587 18.381 -0.511 1.00 2.45 H new ATOM 0 HE2 PHE A 65 4.345 21.009 1.413 1.00 2.08 H new ATOM 0 HZ PHE A 65 3.908 19.046 -0.013 1.00 1.96 H new ATOM 958 N PRO A 66 -0.114 21.872 5.259 1.00 2.16 N ATOM 959 CA PRO A 66 0.724 21.751 6.494 1.00 2.30 C ATOM 960 C PRO A 66 0.684 20.406 7.263 1.00 2.09 C ATOM 961 O PRO A 66 1.734 19.787 7.453 1.00 2.04 O ATOM 962 CB PRO A 66 0.188 22.882 7.373 1.00 2.67 C ATOM 963 CG PRO A 66 -0.209 23.938 6.412 1.00 2.78 C ATOM 964 CD PRO A 66 -0.760 23.216 5.210 1.00 2.48 C ATOM 0 HA PRO A 66 1.777 21.804 6.217 1.00 2.30 H new ATOM 0 HB2 PRO A 66 -0.660 22.551 7.973 1.00 2.67 H new ATOM 0 HB3 PRO A 66 0.948 23.241 8.066 1.00 2.67 H new ATOM 0 HG2 PRO A 66 -0.957 24.600 6.847 1.00 2.78 H new ATOM 0 HG3 PRO A 66 0.645 24.558 6.138 1.00 2.78 H new ATOM 0 HD2 PRO A 66 -1.846 23.137 5.257 1.00 2.48 H new ATOM 0 HD3 PRO A 66 -0.518 23.740 4.286 1.00 2.48 H new ATOM 972 N GLU A 67 -0.497 19.970 7.721 1.00 2.04 N ATOM 973 CA GLU A 67 -0.616 18.723 8.489 1.00 1.95 C ATOM 974 C GLU A 67 -0.866 17.489 7.648 1.00 1.60 C ATOM 975 O GLU A 67 -0.760 16.357 8.128 1.00 1.59 O ATOM 976 CB GLU A 67 -1.633 18.855 9.625 1.00 2.24 C ATOM 977 CG GLU A 67 -1.138 19.687 10.798 1.00 2.61 C ATOM 978 CD GLU A 67 -2.165 19.798 11.908 1.00 3.15 C ATOM 979 OE1 GLU A 67 -2.162 18.933 12.809 1.00 3.47 O ATOM 980 OE2 GLU A 67 -2.971 20.751 11.877 1.00 3.66 O ATOM 0 H GLU A 67 -1.380 20.459 7.574 1.00 2.04 H new ATOM 0 HA GLU A 67 0.368 18.565 8.930 1.00 1.95 H new ATOM 0 HB2 GLU A 67 -2.546 19.304 9.233 1.00 2.24 H new ATOM 0 HB3 GLU A 67 -1.895 17.859 9.983 1.00 2.24 H new ATOM 0 HG2 GLU A 67 -0.226 19.242 11.195 1.00 2.61 H new ATOM 0 HG3 GLU A 67 -0.879 20.686 10.447 1.00 2.61 H new ATOM 987 N PHE A 68 -1.201 17.724 6.409 1.00 1.40 N ATOM 988 CA PHE A 68 -1.474 16.649 5.441 1.00 1.10 C ATOM 989 C PHE A 68 -0.190 15.809 5.206 1.00 0.99 C ATOM 990 O PHE A 68 -0.280 14.627 4.868 1.00 0.94 O ATOM 991 CB PHE A 68 -2.082 17.266 4.157 1.00 1.04 C ATOM 992 CG PHE A 68 -2.131 16.413 2.910 1.00 0.89 C ATOM 993 CD1 PHE A 68 -1.252 16.670 1.867 1.00 1.36 C ATOM 994 CD2 PHE A 68 -3.089 15.413 2.742 1.00 1.60 C ATOM 995 CE1 PHE A 68 -1.325 15.961 0.685 1.00 1.57 C ATOM 996 CE2 PHE A 68 -3.152 14.701 1.570 1.00 1.57 C ATOM 997 CZ PHE A 68 -2.276 14.977 0.531 1.00 1.15 C ATOM 0 H PHE A 68 -1.298 18.663 6.022 1.00 1.40 H new ATOM 0 HA PHE A 68 -2.214 15.948 5.826 1.00 1.10 H new ATOM 0 HB2 PHE A 68 -3.101 17.578 4.387 1.00 1.04 H new ATOM 0 HB3 PHE A 68 -1.518 18.168 3.921 1.00 1.04 H new ATOM 0 HD1 PHE A 68 -0.500 17.436 1.982 1.00 1.36 H new ATOM 0 HD2 PHE A 68 -3.785 15.198 3.539 1.00 1.60 H new ATOM 0 HE1 PHE A 68 -0.637 16.178 -0.119 1.00 1.57 H new ATOM 0 HE2 PHE A 68 -3.889 13.920 1.456 1.00 1.57 H new ATOM 0 HZ PHE A 68 -2.339 14.423 -0.394 1.00 1.15 H new ATOM 1007 N LEU A 69 1.000 16.439 5.398 1.00 1.15 N ATOM 1008 CA LEU A 69 2.303 15.738 5.280 1.00 1.24 C ATOM 1009 C LEU A 69 2.657 15.003 6.568 1.00 1.42 C ATOM 1010 O LEU A 69 3.244 13.920 6.530 1.00 1.53 O ATOM 1011 CB LEU A 69 3.478 16.665 4.947 1.00 1.51 C ATOM 1012 CG LEU A 69 3.182 17.888 4.096 1.00 1.59 C ATOM 1013 CD1 LEU A 69 3.222 19.112 4.970 1.00 1.82 C ATOM 1014 CD2 LEU A 69 4.200 18.013 2.985 1.00 1.76 C ATOM 0 H LEU A 69 1.081 17.428 5.634 1.00 1.15 H new ATOM 0 HA LEU A 69 2.162 15.042 4.453 1.00 1.24 H new ATOM 0 HB2 LEU A 69 3.916 17.005 5.886 1.00 1.51 H new ATOM 0 HB3 LEU A 69 4.239 16.075 4.436 1.00 1.51 H new ATOM 0 HG LEU A 69 2.194 17.787 3.647 1.00 1.59 H new ATOM 0 HD11 LEU A 69 3.011 19.996 4.368 1.00 1.82 H new ATOM 0 HD12 LEU A 69 2.474 19.022 5.757 1.00 1.82 H new ATOM 0 HD13 LEU A 69 4.211 19.207 5.419 1.00 1.82 H new ATOM 0 HD21 LEU A 69 3.976 18.894 2.383 1.00 1.76 H new ATOM 0 HD22 LEU A 69 5.197 18.111 3.414 1.00 1.76 H new ATOM 0 HD23 LEU A 69 4.162 17.124 2.355 1.00 1.76 H new ATOM 1026 N THR A 70 2.321 15.615 7.715 1.00 1.58 N ATOM 1027 CA THR A 70 2.617 15.019 9.034 1.00 1.88 C ATOM 1028 C THR A 70 1.884 13.690 9.202 1.00 1.87 C ATOM 1029 O THR A 70 2.394 12.757 9.828 1.00 2.04 O ATOM 1030 CB THR A 70 2.254 15.959 10.206 1.00 2.19 C ATOM 1031 OG1 THR A 70 0.923 16.459 10.051 1.00 2.14 O ATOM 1032 CG2 THR A 70 3.232 17.123 10.299 1.00 2.80 C ATOM 0 H THR A 70 1.847 16.517 7.759 1.00 1.58 H new ATOM 0 HA THR A 70 3.694 14.853 9.063 1.00 1.88 H new ATOM 0 HB THR A 70 2.315 15.380 11.128 1.00 2.19 H new ATOM 0 HG1 THR A 70 0.524 16.080 9.240 1.00 2.14 H new ATOM 0 HG21 THR A 70 2.952 17.768 11.132 1.00 2.80 H new ATOM 0 HG22 THR A 70 4.240 16.740 10.459 1.00 2.80 H new ATOM 0 HG23 THR A 70 3.205 17.696 9.372 1.00 2.80 H new ATOM 1040 N MET A 71 0.680 13.634 8.628 1.00 1.77 N ATOM 1041 CA MET A 71 -0.156 12.434 8.641 1.00 1.91 C ATOM 1042 C MET A 71 0.264 11.455 7.527 1.00 1.83 C ATOM 1043 O MET A 71 -0.005 10.260 7.617 1.00 2.06 O ATOM 1044 CB MET A 71 -1.644 12.811 8.507 1.00 2.01 C ATOM 1045 CG MET A 71 -1.980 13.681 7.296 1.00 2.31 C ATOM 1046 SD MET A 71 -3.691 14.242 7.296 1.00 2.07 S ATOM 1047 CE MET A 71 -4.520 12.851 6.536 1.00 1.57 C ATOM 0 H MET A 71 0.257 14.423 8.140 1.00 1.77 H new ATOM 0 HA MET A 71 -0.014 11.931 9.598 1.00 1.91 H new ATOM 0 HB2 MET A 71 -2.233 11.895 8.453 1.00 2.01 H new ATOM 0 HB3 MET A 71 -1.954 13.336 9.411 1.00 2.01 H new ATOM 0 HG2 MET A 71 -1.318 14.547 7.281 1.00 2.31 H new ATOM 0 HG3 MET A 71 -1.787 13.117 6.384 1.00 2.31 H new ATOM 0 HE1 MET A 71 -5.418 13.198 6.025 1.00 1.57 H new ATOM 0 HE2 MET A 71 -3.852 12.378 5.816 1.00 1.57 H new ATOM 0 HE3 MET A 71 -4.796 12.128 7.304 1.00 1.57 H new ATOM 1057 N MET A 72 0.930 11.995 6.481 1.00 1.61 N ATOM 1058 CA MET A 72 1.406 11.218 5.316 1.00 1.69 C ATOM 1059 C MET A 72 2.174 9.942 5.703 1.00 1.97 C ATOM 1060 O MET A 72 2.106 8.940 4.985 1.00 2.17 O ATOM 1061 CB MET A 72 2.282 12.110 4.432 1.00 1.60 C ATOM 1062 CG MET A 72 1.521 12.784 3.303 1.00 1.46 C ATOM 1063 SD MET A 72 1.357 11.747 1.843 1.00 1.69 S ATOM 1064 CE MET A 72 1.024 13.010 0.619 1.00 1.53 C ATOM 0 H MET A 72 1.153 12.989 6.422 1.00 1.61 H new ATOM 0 HA MET A 72 0.521 10.889 4.771 1.00 1.69 H new ATOM 0 HB2 MET A 72 2.748 12.876 5.052 1.00 1.60 H new ATOM 0 HB3 MET A 72 3.087 11.509 4.008 1.00 1.60 H new ATOM 0 HG2 MET A 72 0.528 13.061 3.657 1.00 1.46 H new ATOM 0 HG3 MET A 72 2.032 13.707 3.030 1.00 1.46 H new ATOM 0 HE1 MET A 72 1.208 12.608 -0.378 1.00 1.53 H new ATOM 0 HE2 MET A 72 -0.016 13.327 0.697 1.00 1.53 H new ATOM 0 HE3 MET A 72 1.677 13.865 0.792 1.00 1.53 H new ATOM 1074 N ALA A 73 2.900 9.988 6.834 1.00 2.06 N ATOM 1075 CA ALA A 73 3.654 8.833 7.327 1.00 2.36 C ATOM 1076 C ALA A 73 2.733 7.809 7.977 1.00 2.55 C ATOM 1077 O ALA A 73 3.036 6.612 7.986 1.00 2.80 O ATOM 1078 CB ALA A 73 4.747 9.271 8.290 1.00 2.47 C ATOM 0 H ALA A 73 2.977 10.818 7.422 1.00 2.06 H new ATOM 0 HA ALA A 73 4.129 8.355 6.470 1.00 2.36 H new ATOM 0 HB1 ALA A 73 5.293 8.396 8.643 1.00 2.47 H new ATOM 0 HB2 ALA A 73 5.434 9.946 7.779 1.00 2.47 H new ATOM 0 HB3 ALA A 73 4.298 9.786 9.140 1.00 2.47 H new ATOM 1084 N ARG A 74 1.604 8.290 8.523 1.00 2.49 N ATOM 1085 CA ARG A 74 0.586 7.417 9.120 1.00 2.74 C ATOM 1086 C ARG A 74 -0.027 6.546 8.026 1.00 2.80 C ATOM 1087 O ARG A 74 -0.509 5.439 8.278 1.00 3.08 O ATOM 1088 CB ARG A 74 -0.520 8.239 9.806 1.00 2.75 C ATOM 1089 CG ARG A 74 -0.030 9.271 10.829 1.00 2.90 C ATOM 1090 CD ARG A 74 0.559 8.620 12.074 1.00 2.93 C ATOM 1091 NE ARG A 74 0.951 9.612 13.082 1.00 3.02 N ATOM 1092 CZ ARG A 74 1.656 9.339 14.189 1.00 3.34 C ATOM 1093 NH1 ARG A 74 2.063 8.100 14.458 1.00 3.84 N ATOM 1094 NH2 ARG A 74 1.955 10.317 15.032 1.00 3.53 N ATOM 0 H ARG A 74 1.375 9.283 8.562 1.00 2.49 H new ATOM 0 HA ARG A 74 1.062 6.794 9.877 1.00 2.74 H new ATOM 0 HB2 ARG A 74 -1.094 8.757 9.038 1.00 2.75 H new ATOM 0 HB3 ARG A 74 -1.203 7.552 10.306 1.00 2.75 H new ATOM 0 HG2 ARG A 74 0.722 9.909 10.365 1.00 2.90 H new ATOM 0 HG3 ARG A 74 -0.861 9.915 11.118 1.00 2.90 H new ATOM 0 HD2 ARG A 74 -0.171 7.935 12.505 1.00 2.93 H new ATOM 0 HD3 ARG A 74 1.428 8.025 11.795 1.00 2.93 H new ATOM 0 HE ARG A 74 0.666 10.579 12.929 1.00 3.02 H new ATOM 0 HH11 ARG A 74 1.839 7.339 13.817 1.00 3.84 H new ATOM 0 HH12 ARG A 74 2.599 7.912 15.305 1.00 3.84 H new ATOM 0 HH21 ARG A 74 1.649 11.270 14.837 1.00 3.53 H new ATOM 0 HH22 ARG A 74 2.491 10.116 15.876 1.00 3.53 H new ATOM 1108 N LYS A 75 0.015 7.095 6.805 1.00 2.57 N ATOM 1109 CA LYS A 75 -0.470 6.426 5.604 1.00 2.67 C ATOM 1110 C LYS A 75 0.517 5.389 5.117 1.00 2.87 C ATOM 1111 O LYS A 75 0.125 4.423 4.456 1.00 3.11 O ATOM 1112 CB LYS A 75 -0.769 7.430 4.481 1.00 2.45 C ATOM 1113 CG LYS A 75 -2.093 8.174 4.619 1.00 2.47 C ATOM 1114 CD LYS A 75 -2.020 9.284 5.660 1.00 2.50 C ATOM 1115 CE LYS A 75 -2.901 8.965 6.847 1.00 2.43 C ATOM 1116 NZ LYS A 75 -2.709 9.917 7.970 1.00 3.05 N ATOM 0 H LYS A 75 0.392 8.026 6.628 1.00 2.57 H new ATOM 0 HA LYS A 75 -1.399 5.924 5.874 1.00 2.67 H new ATOM 0 HB2 LYS A 75 0.039 8.161 4.442 1.00 2.45 H new ATOM 0 HB3 LYS A 75 -0.765 6.899 3.529 1.00 2.45 H new ATOM 0 HG2 LYS A 75 -2.372 8.599 3.655 1.00 2.47 H new ATOM 0 HG3 LYS A 75 -2.877 7.469 4.895 1.00 2.47 H new ATOM 0 HD2 LYS A 75 -0.989 9.412 5.990 1.00 2.50 H new ATOM 0 HD3 LYS A 75 -2.331 10.228 5.214 1.00 2.50 H new ATOM 0 HE2 LYS A 75 -3.945 8.982 6.535 1.00 2.43 H new ATOM 0 HE3 LYS A 75 -2.688 7.953 7.192 1.00 2.43 H new ATOM 0 HZ1 LYS A 75 -2.942 9.447 8.868 1.00 3.05 H new ATOM 0 HZ2 LYS A 75 -1.718 10.233 7.992 1.00 3.05 H new ATOM 0 HZ3 LYS A 75 -3.332 10.740 7.838 1.00 3.05 H new ATOM 1130 N MET A 76 1.802 5.589 5.434 1.00 2.81 N ATOM 1131 CA MET A 76 2.812 4.612 5.066 1.00 3.04 C ATOM 1132 C MET A 76 2.872 3.508 6.097 1.00 3.27 C ATOM 1133 O MET A 76 3.709 2.601 6.061 1.00 3.48 O ATOM 1134 CB MET A 76 4.175 5.251 4.789 1.00 2.98 C ATOM 1135 CG MET A 76 4.390 5.603 3.324 1.00 3.01 C ATOM 1136 SD MET A 76 5.814 6.679 3.064 1.00 2.99 S ATOM 1137 CE MET A 76 5.080 8.287 3.353 1.00 2.50 C ATOM 0 H MET A 76 2.154 6.405 5.935 1.00 2.81 H new ATOM 0 HA MET A 76 2.517 4.160 4.119 1.00 3.04 H new ATOM 0 HB2 MET A 76 4.274 6.155 5.391 1.00 2.98 H new ATOM 0 HB3 MET A 76 4.961 4.567 5.110 1.00 2.98 H new ATOM 0 HG2 MET A 76 4.524 4.686 2.751 1.00 3.01 H new ATOM 0 HG3 MET A 76 3.496 6.092 2.938 1.00 3.01 H new ATOM 0 HE1 MET A 76 5.621 9.042 2.782 1.00 2.50 H new ATOM 0 HE2 MET A 76 4.037 8.273 3.038 1.00 2.50 H new ATOM 0 HE3 MET A 76 5.135 8.527 4.415 1.00 2.50 H new ATOM 1147 N LYS A 77 1.935 3.642 6.998 1.00 3.25 N ATOM 1148 CA LYS A 77 1.667 2.689 8.041 1.00 3.50 C ATOM 1149 C LYS A 77 0.356 2.033 7.655 1.00 3.65 C ATOM 1150 O LYS A 77 -0.096 1.075 8.292 1.00 3.90 O ATOM 1151 CB LYS A 77 1.575 3.356 9.419 1.00 3.48 C ATOM 1152 CG LYS A 77 2.917 3.815 9.971 1.00 3.51 C ATOM 1153 CD LYS A 77 2.770 4.428 11.357 1.00 3.56 C ATOM 1154 CE LYS A 77 4.108 4.897 11.912 1.00 3.75 C ATOM 1155 NZ LYS A 77 4.973 3.759 12.335 1.00 4.00 N ATOM 0 H LYS A 77 1.313 4.450 7.026 1.00 3.25 H new ATOM 0 HA LYS A 77 2.474 1.962 8.130 1.00 3.50 H new ATOM 0 HB2 LYS A 77 0.907 4.215 9.353 1.00 3.48 H new ATOM 0 HB3 LYS A 77 1.124 2.655 10.122 1.00 3.48 H new ATOM 0 HG2 LYS A 77 3.601 2.968 10.017 1.00 3.51 H new ATOM 0 HG3 LYS A 77 3.359 4.546 9.294 1.00 3.51 H new ATOM 0 HD2 LYS A 77 2.080 5.271 11.311 1.00 3.56 H new ATOM 0 HD3 LYS A 77 2.332 3.695 12.034 1.00 3.56 H new ATOM 0 HE2 LYS A 77 4.628 5.484 11.155 1.00 3.75 H new ATOM 0 HE3 LYS A 77 3.935 5.556 12.763 1.00 3.75 H new ATOM 0 HZ1 LYS A 77 5.873 4.126 12.706 1.00 4.00 H new ATOM 0 HZ2 LYS A 77 4.490 3.213 13.076 1.00 4.00 H new ATOM 0 HZ3 LYS A 77 5.161 3.143 11.518 1.00 4.00 H new ATOM 1169 N ASP A 78 -0.249 2.583 6.573 1.00 3.51 N ATOM 1170 CA ASP A 78 -1.488 2.044 6.027 1.00 3.68 C ATOM 1171 C ASP A 78 -1.154 1.109 4.869 1.00 3.85 C ATOM 1172 O ASP A 78 -1.895 0.161 4.593 1.00 4.10 O ATOM 1173 CB ASP A 78 -2.423 3.161 5.556 1.00 3.50 C ATOM 1174 CG ASP A 78 -3.097 3.877 6.711 1.00 3.68 C ATOM 1175 OD1 ASP A 78 -2.767 5.056 6.955 1.00 4.02 O ATOM 1176 OD2 ASP A 78 -3.956 3.257 7.373 1.00 3.89 O ATOM 0 H ASP A 78 0.111 3.396 6.073 1.00 3.51 H new ATOM 0 HA ASP A 78 -2.007 1.493 6.811 1.00 3.68 H new ATOM 0 HB2 ASP A 78 -1.856 3.882 4.967 1.00 3.50 H new ATOM 0 HB3 ASP A 78 -3.184 2.741 4.899 1.00 3.50 H new ATOM 1181 N THR A 79 -0.026 1.395 4.196 1.00 3.74 N ATOM 1182 CA THR A 79 0.439 0.585 3.087 1.00 3.93 C ATOM 1183 C THR A 79 1.810 -0.040 3.372 1.00 3.95 C ATOM 1184 O THR A 79 2.578 -0.343 2.450 1.00 4.03 O ATOM 1185 CB THR A 79 0.477 1.393 1.765 1.00 3.88 C ATOM 1186 OG1 THR A 79 1.363 2.514 1.895 1.00 3.58 O ATOM 1187 CG2 THR A 79 -0.911 1.888 1.388 1.00 3.95 C ATOM 0 H THR A 79 0.575 2.190 4.413 1.00 3.74 H new ATOM 0 HA THR A 79 -0.281 -0.225 2.969 1.00 3.93 H new ATOM 0 HB THR A 79 0.838 0.731 0.978 1.00 3.88 H new ATOM 0 HG1 THR A 79 1.381 3.016 1.054 1.00 3.58 H new ATOM 0 HG21 THR A 79 -0.856 2.452 0.457 1.00 3.95 H new ATOM 0 HG22 THR A 79 -1.578 1.036 1.257 1.00 3.95 H new ATOM 0 HG23 THR A 79 -1.295 2.532 2.179 1.00 3.95 H new ATOM 1195 N ASP A 80 2.093 -0.251 4.661 1.00 3.93 N ATOM 1196 CA ASP A 80 3.357 -0.862 5.101 1.00 3.99 C ATOM 1197 C ASP A 80 3.298 -2.398 5.023 1.00 3.80 C ATOM 1198 O ASP A 80 4.338 -3.062 5.057 1.00 4.18 O ATOM 1199 CB ASP A 80 3.691 -0.416 6.529 1.00 4.25 C ATOM 1200 CG ASP A 80 5.165 -0.570 6.871 1.00 4.80 C ATOM 1201 OD1 ASP A 80 5.546 -1.642 7.386 1.00 5.12 O ATOM 1202 OD2 ASP A 80 5.934 0.382 6.623 1.00 5.24 O ATOM 0 H ASP A 80 1.462 -0.007 5.424 1.00 3.93 H new ATOM 0 HA ASP A 80 4.144 -0.524 4.427 1.00 3.99 H new ATOM 0 HB2 ASP A 80 3.402 0.627 6.655 1.00 4.25 H new ATOM 0 HB3 ASP A 80 3.098 -0.998 7.234 1.00 4.25 H new ATOM 1207 N SER A 81 2.075 -2.947 4.919 1.00 3.49 N ATOM 1208 CA SER A 81 1.864 -4.392 4.827 1.00 3.36 C ATOM 1209 C SER A 81 2.141 -4.918 3.418 1.00 2.88 C ATOM 1210 O SER A 81 2.518 -6.080 3.239 1.00 2.79 O ATOM 1211 CB SER A 81 0.437 -4.748 5.247 1.00 3.71 C ATOM 1212 OG SER A 81 0.183 -4.348 6.583 1.00 4.35 O ATOM 0 H SER A 81 1.214 -2.401 4.897 1.00 3.49 H new ATOM 0 HA SER A 81 2.570 -4.870 5.506 1.00 3.36 H new ATOM 0 HB2 SER A 81 -0.274 -4.263 4.578 1.00 3.71 H new ATOM 0 HB3 SER A 81 0.284 -5.823 5.151 1.00 3.71 H new ATOM 0 HG SER A 81 -0.736 -4.585 6.826 1.00 4.35 H new ATOM 1218 N GLU A 82 1.947 -4.041 2.433 1.00 2.97 N ATOM 1219 CA GLU A 82 2.173 -4.362 1.014 1.00 3.25 C ATOM 1220 C GLU A 82 3.638 -4.183 0.636 1.00 3.85 C ATOM 1221 O GLU A 82 4.141 -4.816 -0.295 1.00 4.27 O ATOM 1222 CB GLU A 82 1.306 -3.475 0.122 1.00 3.94 C ATOM 1223 CG GLU A 82 -0.181 -3.796 0.184 1.00 4.12 C ATOM 1224 CD GLU A 82 -1.012 -2.880 -0.693 1.00 4.93 C ATOM 1225 OE1 GLU A 82 -1.186 -3.199 -1.888 1.00 5.51 O ATOM 1226 OE2 GLU A 82 -1.488 -1.843 -0.185 1.00 5.25 O ATOM 0 H GLU A 82 1.628 -3.085 2.591 1.00 2.97 H new ATOM 0 HA GLU A 82 1.899 -5.406 0.864 1.00 3.25 H new ATOM 0 HB2 GLU A 82 1.454 -2.434 0.409 1.00 3.94 H new ATOM 0 HB3 GLU A 82 1.645 -3.573 -0.909 1.00 3.94 H new ATOM 0 HG2 GLU A 82 -0.339 -4.830 -0.124 1.00 4.12 H new ATOM 0 HG3 GLU A 82 -0.524 -3.715 1.215 1.00 4.12 H new ATOM 1233 N GLU A 83 4.297 -3.288 1.361 1.00 4.18 N ATOM 1234 CA GLU A 83 5.724 -2.996 1.172 1.00 5.12 C ATOM 1235 C GLU A 83 6.593 -4.137 1.715 1.00 5.33 C ATOM 1236 O GLU A 83 7.750 -4.290 1.315 1.00 6.21 O ATOM 1237 CB GLU A 83 6.100 -1.681 1.863 1.00 5.53 C ATOM 1238 CG GLU A 83 5.581 -0.440 1.152 1.00 5.74 C ATOM 1239 CD GLU A 83 5.967 0.843 1.861 1.00 6.48 C ATOM 1240 OE1 GLU A 83 7.043 1.395 1.546 1.00 6.88 O ATOM 1241 OE2 GLU A 83 5.194 1.297 2.731 1.00 6.89 O ATOM 0 H GLU A 83 3.861 -2.739 2.101 1.00 4.18 H new ATOM 0 HA GLU A 83 5.907 -2.899 0.102 1.00 5.12 H new ATOM 0 HB2 GLU A 83 5.712 -1.693 2.881 1.00 5.53 H new ATOM 0 HB3 GLU A 83 7.186 -1.618 1.937 1.00 5.53 H new ATOM 0 HG2 GLU A 83 5.970 -0.419 0.134 1.00 5.74 H new ATOM 0 HG3 GLU A 83 4.495 -0.496 1.077 1.00 5.74 H new ATOM 1248 N GLU A 84 6.011 -4.928 2.631 1.00 4.72 N ATOM 1249 CA GLU A 84 6.698 -6.061 3.261 1.00 5.16 C ATOM 1250 C GLU A 84 6.645 -7.333 2.402 1.00 4.87 C ATOM 1251 O GLU A 84 7.568 -8.150 2.462 1.00 5.53 O ATOM 1252 CB GLU A 84 6.094 -6.349 4.642 1.00 5.11 C ATOM 1253 CG GLU A 84 6.445 -5.314 5.708 1.00 5.77 C ATOM 1254 CD GLU A 84 7.834 -5.511 6.292 1.00 6.38 C ATOM 1255 OE1 GLU A 84 7.958 -6.243 7.296 1.00 6.86 O ATOM 1256 OE2 GLU A 84 8.795 -4.934 5.743 1.00 6.68 O ATOM 0 H GLU A 84 5.052 -4.798 2.954 1.00 4.72 H new ATOM 0 HA GLU A 84 7.745 -5.776 3.365 1.00 5.16 H new ATOM 0 HB2 GLU A 84 5.009 -6.403 4.547 1.00 5.11 H new ATOM 0 HB3 GLU A 84 6.434 -7.329 4.977 1.00 5.11 H new ATOM 0 HG2 GLU A 84 6.377 -4.316 5.274 1.00 5.77 H new ATOM 0 HG3 GLU A 84 5.709 -5.363 6.511 1.00 5.77 H new ATOM 1263 N ILE A 85 5.567 -7.503 1.607 1.00 3.98 N ATOM 1264 CA ILE A 85 5.414 -8.688 0.744 1.00 3.69 C ATOM 1265 C ILE A 85 6.370 -8.671 -0.423 1.00 4.63 C ATOM 1266 O ILE A 85 7.158 -9.600 -0.593 1.00 5.03 O ATOM 1267 CB ILE A 85 3.953 -8.924 0.271 1.00 2.77 C ATOM 1268 CG1 ILE A 85 3.290 -7.646 -0.266 1.00 3.16 C ATOM 1269 CG2 ILE A 85 3.140 -9.475 1.426 1.00 1.99 C ATOM 1270 CD1 ILE A 85 2.716 -7.786 -1.658 1.00 3.97 C ATOM 0 H ILE A 85 4.796 -6.838 1.547 1.00 3.98 H new ATOM 0 HA ILE A 85 5.674 -9.538 1.375 1.00 3.69 H new ATOM 0 HB ILE A 85 3.984 -9.637 -0.553 1.00 2.77 H new ATOM 0 HG12 ILE A 85 2.493 -7.349 0.416 1.00 3.16 H new ATOM 0 HG13 ILE A 85 4.025 -6.841 -0.267 1.00 3.16 H new ATOM 0 HG21 ILE A 85 2.113 -9.643 1.101 1.00 1.99 H new ATOM 0 HG22 ILE A 85 3.574 -10.418 1.759 1.00 1.99 H new ATOM 0 HG23 ILE A 85 3.148 -8.761 2.250 1.00 1.99 H new ATOM 0 HD11 ILE A 85 2.267 -6.841 -1.963 1.00 3.97 H new ATOM 0 HD12 ILE A 85 3.511 -8.051 -2.355 1.00 3.97 H new ATOM 0 HD13 ILE A 85 1.956 -8.567 -1.661 1.00 3.97 H new ATOM 1282 N ARG A 86 6.331 -7.601 -1.194 1.00 5.19 N ATOM 1283 CA ARG A 86 7.250 -7.436 -2.324 1.00 6.32 C ATOM 1284 C ARG A 86 8.683 -7.482 -1.836 1.00 7.11 C ATOM 1285 O ARG A 86 9.611 -7.764 -2.601 1.00 7.98 O ATOM 1286 CB ARG A 86 7.067 -6.089 -2.983 1.00 6.99 C ATOM 1287 CG ARG A 86 6.404 -6.163 -4.351 1.00 7.36 C ATOM 1288 CD ARG A 86 6.245 -4.785 -4.980 1.00 8.25 C ATOM 1289 NE ARG A 86 7.520 -4.250 -5.477 1.00 8.76 N ATOM 1290 CZ ARG A 86 7.646 -3.131 -6.206 1.00 9.65 C ATOM 1291 NH1 ARG A 86 6.582 -2.403 -6.542 1.00 10.08 N ATOM 1292 NH2 ARG A 86 8.850 -2.741 -6.602 1.00 10.26 N ATOM 0 H ARG A 86 5.677 -6.829 -1.066 1.00 5.19 H new ATOM 0 HA ARG A 86 7.037 -8.240 -3.029 1.00 6.32 H new ATOM 0 HB2 ARG A 86 6.466 -5.454 -2.332 1.00 6.99 H new ATOM 0 HB3 ARG A 86 8.040 -5.609 -3.086 1.00 6.99 H new ATOM 0 HG2 ARG A 86 6.999 -6.796 -5.009 1.00 7.36 H new ATOM 0 HG3 ARG A 86 5.425 -6.634 -4.255 1.00 7.36 H new ATOM 0 HD2 ARG A 86 5.532 -4.843 -5.803 1.00 8.25 H new ATOM 0 HD3 ARG A 86 5.827 -4.098 -4.244 1.00 8.25 H new ATOM 0 HE ARG A 86 8.370 -4.766 -5.252 1.00 8.76 H new ATOM 0 HH11 ARG A 86 5.651 -2.693 -6.244 1.00 10.08 H new ATOM 0 HH12 ARG A 86 6.699 -1.555 -7.097 1.00 10.08 H new ATOM 0 HH21 ARG A 86 9.672 -3.291 -6.352 1.00 10.26 H new ATOM 0 HH22 ARG A 86 8.954 -1.891 -7.157 1.00 10.26 H new ATOM 1306 N GLU A 87 8.835 -7.201 -0.539 1.00 6.95 N ATOM 1307 CA GLU A 87 10.141 -7.155 0.076 1.00 7.91 C ATOM 1308 C GLU A 87 10.585 -8.547 0.535 1.00 7.97 C ATOM 1309 O GLU A 87 11.768 -8.894 0.476 1.00 8.94 O ATOM 1310 CB GLU A 87 10.155 -6.168 1.249 1.00 8.02 C ATOM 1311 CG GLU A 87 11.501 -5.490 1.471 1.00 8.75 C ATOM 1312 CD GLU A 87 11.479 -4.520 2.636 1.00 9.11 C ATOM 1313 OE1 GLU A 87 11.765 -4.951 3.773 1.00 9.62 O ATOM 1314 OE2 GLU A 87 11.178 -3.329 2.412 1.00 9.05 O ATOM 0 H GLU A 87 8.062 -7.003 0.096 1.00 6.95 H new ATOM 0 HA GLU A 87 10.851 -6.807 -0.674 1.00 7.91 H new ATOM 0 HB2 GLU A 87 9.398 -5.403 1.076 1.00 8.02 H new ATOM 0 HB3 GLU A 87 9.871 -6.697 2.159 1.00 8.02 H new ATOM 0 HG2 GLU A 87 12.262 -6.250 1.650 1.00 8.75 H new ATOM 0 HG3 GLU A 87 11.789 -4.957 0.565 1.00 8.75 H new ATOM 1321 N ALA A 88 9.597 -9.323 0.989 1.00 7.00 N ATOM 1322 CA ALA A 88 9.803 -10.685 1.494 1.00 7.06 C ATOM 1323 C ALA A 88 9.887 -11.706 0.360 1.00 7.01 C ATOM 1324 O ALA A 88 10.755 -12.571 0.351 1.00 7.73 O ATOM 1325 CB ALA A 88 8.685 -11.064 2.437 1.00 6.21 C ATOM 0 H ALA A 88 8.623 -9.022 1.017 1.00 7.00 H new ATOM 0 HA ALA A 88 10.754 -10.696 2.026 1.00 7.06 H new ATOM 0 HB1 ALA A 88 8.848 -12.077 2.806 1.00 6.21 H new ATOM 0 HB2 ALA A 88 8.667 -10.370 3.277 1.00 6.21 H new ATOM 0 HB3 ALA A 88 7.733 -11.019 1.909 1.00 6.21 H new ATOM 1331 N PHE A 89 8.928 -11.637 -0.558 1.00 6.21 N ATOM 1332 CA PHE A 89 8.890 -12.496 -1.747 1.00 6.21 C ATOM 1333 C PHE A 89 10.197 -12.469 -2.557 1.00 7.49 C ATOM 1334 O PHE A 89 10.446 -13.359 -3.371 1.00 7.70 O ATOM 1335 CB PHE A 89 7.678 -12.106 -2.588 1.00 5.56 C ATOM 1336 CG PHE A 89 6.426 -12.619 -1.964 1.00 4.24 C ATOM 1337 CD1 PHE A 89 5.804 -11.933 -0.927 1.00 3.84 C ATOM 1338 CD2 PHE A 89 5.903 -13.822 -2.374 1.00 3.79 C ATOM 1339 CE1 PHE A 89 4.693 -12.442 -0.327 1.00 2.77 C ATOM 1340 CE2 PHE A 89 4.796 -14.333 -1.781 1.00 2.72 C ATOM 1341 CZ PHE A 89 4.188 -13.654 -0.757 1.00 1.93 C ATOM 0 H PHE A 89 8.149 -10.981 -0.502 1.00 6.21 H new ATOM 0 HA PHE A 89 8.792 -13.532 -1.424 1.00 6.21 H new ATOM 0 HB2 PHE A 89 7.627 -11.021 -2.682 1.00 5.56 H new ATOM 0 HB3 PHE A 89 7.781 -12.509 -3.595 1.00 5.56 H new ATOM 0 HD1 PHE A 89 6.206 -10.987 -0.594 1.00 3.84 H new ATOM 0 HD2 PHE A 89 6.379 -14.366 -3.177 1.00 3.79 H new ATOM 0 HE1 PHE A 89 4.212 -11.904 0.476 1.00 2.77 H new ATOM 0 HE2 PHE A 89 4.392 -15.277 -2.116 1.00 2.72 H new ATOM 0 HZ PHE A 89 3.310 -14.069 -0.284 1.00 1.93 H new ATOM 1351 N ARG A 90 11.024 -11.442 -2.327 1.00 8.36 N ATOM 1352 CA ARG A 90 12.326 -11.327 -2.988 1.00 9.63 C ATOM 1353 C ARG A 90 13.366 -12.226 -2.291 1.00 10.20 C ATOM 1354 O ARG A 90 14.471 -12.421 -2.807 1.00 11.20 O ATOM 1355 CB ARG A 90 12.805 -9.871 -2.987 1.00 10.38 C ATOM 1356 CG ARG A 90 12.074 -8.983 -3.983 1.00 10.73 C ATOM 1357 CD ARG A 90 12.631 -7.569 -3.983 1.00 11.51 C ATOM 1358 NE ARG A 90 11.949 -6.709 -4.956 1.00 12.01 N ATOM 1359 CZ ARG A 90 12.391 -5.508 -5.358 1.00 12.77 C ATOM 1360 NH1 ARG A 90 13.525 -4.997 -4.881 1.00 13.10 N ATOM 1361 NH2 ARG A 90 11.691 -4.816 -6.245 1.00 13.29 N ATOM 0 H ARG A 90 10.812 -10.678 -1.686 1.00 8.36 H new ATOM 0 HA ARG A 90 12.214 -11.656 -4.021 1.00 9.63 H new ATOM 0 HB2 ARG A 90 12.680 -9.458 -1.986 1.00 10.38 H new ATOM 0 HB3 ARG A 90 13.872 -9.849 -3.210 1.00 10.38 H new ATOM 0 HG2 ARG A 90 12.160 -9.409 -4.983 1.00 10.73 H new ATOM 0 HG3 ARG A 90 11.012 -8.957 -3.738 1.00 10.73 H new ATOM 0 HD2 ARG A 90 12.530 -7.140 -2.986 1.00 11.51 H new ATOM 0 HD3 ARG A 90 13.697 -7.599 -4.210 1.00 11.51 H new ATOM 0 HE ARG A 90 11.075 -7.049 -5.356 1.00 12.01 H new ATOM 0 HH11 ARG A 90 14.073 -5.521 -4.198 1.00 13.10 H new ATOM 0 HH12 ARG A 90 13.845 -4.082 -5.198 1.00 13.10 H new ATOM 0 HH21 ARG A 90 10.822 -5.197 -6.618 1.00 13.29 H new ATOM 0 HH22 ARG A 90 12.022 -3.902 -6.555 1.00 13.29 H new ATOM 1375 N VAL A 91 12.990 -12.769 -1.114 1.00 9.66 N ATOM 1376 CA VAL A 91 13.841 -13.639 -0.336 1.00 10.29 C ATOM 1377 C VAL A 91 13.497 -15.108 -0.565 1.00 9.81 C ATOM 1378 O VAL A 91 14.386 -15.952 -0.709 1.00 10.52 O ATOM 1379 CB VAL A 91 13.718 -13.387 1.180 1.00 10.33 C ATOM 1380 CG1 VAL A 91 15.076 -13.464 1.866 1.00 11.64 C ATOM 1381 CG2 VAL A 91 13.017 -12.080 1.519 1.00 9.85 C ATOM 0 H VAL A 91 12.077 -12.603 -0.690 1.00 9.66 H new ATOM 0 HA VAL A 91 14.854 -13.416 -0.670 1.00 10.29 H new ATOM 0 HB VAL A 91 13.085 -14.187 1.565 1.00 10.33 H new ATOM 0 HG11 VAL A 91 14.955 -13.282 2.934 1.00 11.64 H new ATOM 0 HG12 VAL A 91 15.505 -14.454 1.713 1.00 11.64 H new ATOM 0 HG13 VAL A 91 15.741 -12.711 1.443 1.00 11.64 H new ATOM 0 HG21 VAL A 91 12.964 -11.966 2.602 1.00 9.85 H new ATOM 0 HG22 VAL A 91 13.575 -11.247 1.093 1.00 9.85 H new ATOM 0 HG23 VAL A 91 12.008 -12.090 1.106 1.00 9.85 H new ATOM 1391 N PHE A 92 12.194 -15.386 -0.598 1.00 8.63 N ATOM 1392 CA PHE A 92 11.686 -16.758 -0.737 1.00 8.08 C ATOM 1393 C PHE A 92 11.127 -17.080 -2.120 1.00 7.58 C ATOM 1394 O PHE A 92 11.172 -18.238 -2.547 1.00 7.57 O ATOM 1395 CB PHE A 92 10.533 -16.998 0.242 1.00 7.14 C ATOM 1396 CG PHE A 92 10.686 -16.421 1.625 1.00 7.60 C ATOM 1397 CD1 PHE A 92 11.115 -17.220 2.668 1.00 7.95 C ATOM 1398 CD2 PHE A 92 10.344 -15.099 1.891 1.00 7.88 C ATOM 1399 CE1 PHE A 92 11.203 -16.720 3.949 1.00 8.45 C ATOM 1400 CE2 PHE A 92 10.433 -14.595 3.167 1.00 8.39 C ATOM 1401 CZ PHE A 92 10.859 -15.405 4.202 1.00 8.62 C ATOM 0 H PHE A 92 11.464 -14.677 -0.530 1.00 8.63 H new ATOM 0 HA PHE A 92 12.552 -17.391 -0.544 1.00 8.08 H new ATOM 0 HB2 PHE A 92 9.623 -16.590 -0.198 1.00 7.14 H new ATOM 0 HB3 PHE A 92 10.386 -18.074 0.337 1.00 7.14 H new ATOM 0 HD1 PHE A 92 11.384 -18.248 2.477 1.00 7.95 H new ATOM 0 HD2 PHE A 92 10.005 -14.462 1.087 1.00 7.88 H new ATOM 0 HE1 PHE A 92 11.540 -17.355 4.755 1.00 8.45 H new ATOM 0 HE2 PHE A 92 10.170 -13.566 3.360 1.00 8.39 H new ATOM 0 HZ PHE A 92 10.923 -15.012 5.206 1.00 8.62 H new ATOM 1411 N ALA A 93 10.607 -16.071 -2.811 1.00 7.32 N ATOM 1412 CA ALA A 93 9.994 -16.278 -4.117 1.00 7.11 C ATOM 1413 C ALA A 93 10.938 -15.897 -5.267 1.00 8.33 C ATOM 1414 O ALA A 93 10.984 -14.739 -5.700 1.00 8.83 O ATOM 1415 CB ALA A 93 8.667 -15.523 -4.168 1.00 6.22 C ATOM 0 H ALA A 93 10.598 -15.103 -2.489 1.00 7.32 H new ATOM 0 HA ALA A 93 9.794 -17.341 -4.254 1.00 7.11 H new ATOM 0 HB1 ALA A 93 8.201 -15.672 -5.142 1.00 6.22 H new ATOM 0 HB2 ALA A 93 8.005 -15.898 -3.388 1.00 6.22 H new ATOM 0 HB3 ALA A 93 8.847 -14.460 -4.011 1.00 6.22 H new ATOM 1421 N LYS A 94 11.708 -16.901 -5.740 1.00 8.92 N ATOM 1422 CA LYS A 94 12.680 -16.748 -6.845 1.00 10.13 C ATOM 1423 C LYS A 94 13.343 -18.100 -7.199 1.00 10.64 C ATOM 1424 O LYS A 94 14.555 -18.176 -7.443 1.00 11.32 O ATOM 1425 CB LYS A 94 13.749 -15.635 -6.567 1.00 10.90 C ATOM 1426 CG LYS A 94 14.326 -15.594 -5.145 1.00 11.36 C ATOM 1427 CD LYS A 94 14.930 -16.930 -4.767 1.00 11.16 C ATOM 1428 CE LYS A 94 14.000 -17.715 -3.869 1.00 10.61 C ATOM 1429 NZ LYS A 94 14.575 -19.031 -3.474 1.00 11.01 N ATOM 0 H LYS A 94 11.672 -17.848 -5.363 1.00 8.92 H new ATOM 0 HA LYS A 94 12.113 -16.413 -7.714 1.00 10.13 H new ATOM 0 HB2 LYS A 94 14.573 -15.768 -7.268 1.00 10.90 H new ATOM 0 HB3 LYS A 94 13.300 -14.666 -6.783 1.00 10.90 H new ATOM 0 HG2 LYS A 94 15.086 -14.815 -5.079 1.00 11.36 H new ATOM 0 HG3 LYS A 94 13.540 -15.333 -4.437 1.00 11.36 H new ATOM 0 HD2 LYS A 94 15.141 -17.505 -5.669 1.00 11.16 H new ATOM 0 HD3 LYS A 94 15.882 -16.772 -4.260 1.00 11.16 H new ATOM 0 HE2 LYS A 94 13.784 -17.132 -2.974 1.00 10.61 H new ATOM 0 HE3 LYS A 94 13.052 -17.874 -4.382 1.00 10.61 H new ATOM 0 HZ1 LYS A 94 13.903 -19.533 -2.859 1.00 11.01 H new ATOM 0 HZ2 LYS A 94 14.757 -19.600 -4.325 1.00 11.01 H new ATOM 0 HZ3 LYS A 94 15.467 -18.880 -2.961 1.00 11.01 H new ATOM 1443 N ASP A 95 12.521 -19.160 -7.265 1.00 10.41 N ATOM 1444 CA ASP A 95 12.995 -20.518 -7.553 1.00 10.95 C ATOM 1445 C ASP A 95 13.180 -20.801 -9.055 1.00 11.36 C ATOM 1446 O ASP A 95 13.223 -21.962 -9.485 1.00 11.72 O ATOM 1447 CB ASP A 95 12.054 -21.546 -6.904 1.00 10.75 C ATOM 1448 CG ASP A 95 12.753 -22.853 -6.566 1.00 10.79 C ATOM 1449 OD1 ASP A 95 13.284 -22.969 -5.442 1.00 11.08 O ATOM 1450 OD2 ASP A 95 12.767 -23.758 -7.426 1.00 10.72 O ATOM 0 H ASP A 95 11.513 -19.097 -7.120 1.00 10.41 H new ATOM 0 HA ASP A 95 13.990 -20.607 -7.117 1.00 10.95 H new ATOM 0 HB2 ASP A 95 11.630 -21.120 -5.995 1.00 10.75 H new ATOM 0 HB3 ASP A 95 11.223 -21.748 -7.579 1.00 10.75 H new ATOM 1455 N GLY A 96 13.314 -19.733 -9.829 1.00 11.41 N ATOM 1456 CA GLY A 96 13.502 -19.850 -11.277 1.00 11.89 C ATOM 1457 C GLY A 96 12.207 -19.933 -12.051 1.00 11.67 C ATOM 1458 O GLY A 96 11.123 -19.895 -11.461 1.00 11.82 O ATOM 0 H GLY A 96 13.297 -18.774 -9.483 1.00 11.41 H new ATOM 0 HA2 GLY A 96 14.073 -18.992 -11.631 1.00 11.89 H new ATOM 0 HA3 GLY A 96 14.098 -20.738 -11.487 1.00 11.89 H new ATOM 1462 N ASN A 97 12.336 -20.066 -13.396 1.00 11.48 N ATOM 1463 CA ASN A 97 11.197 -20.186 -14.339 1.00 11.39 C ATOM 1464 C ASN A 97 10.306 -18.940 -14.399 1.00 11.24 C ATOM 1465 O ASN A 97 9.652 -18.674 -15.412 1.00 11.69 O ATOM 1466 CB ASN A 97 10.372 -21.393 -13.940 1.00 10.47 C ATOM 1467 CG ASN A 97 9.819 -22.158 -15.128 1.00 10.82 C ATOM 1468 OD1 ASN A 97 10.456 -23.079 -15.639 1.00 11.12 O ATOM 1469 ND2 ASN A 97 8.626 -21.779 -15.572 1.00 10.95 N ATOM 0 H ASN A 97 13.244 -20.093 -13.860 1.00 11.48 H new ATOM 0 HA ASN A 97 11.614 -20.299 -15.340 1.00 11.39 H new ATOM 0 HB2 ASN A 97 10.987 -22.063 -13.339 1.00 10.47 H new ATOM 0 HB3 ASN A 97 9.545 -21.067 -13.309 1.00 10.47 H new ATOM 0 HD21 ASN A 97 8.202 -22.257 -16.367 1.00 10.95 H new ATOM 0 HD22 ASN A 97 8.133 -21.010 -15.118 1.00 10.95 H new ATOM 1476 N GLY A 98 10.307 -18.206 -13.306 1.00 10.71 N ATOM 1477 CA GLY A 98 9.515 -16.999 -13.163 1.00 10.57 C ATOM 1478 C GLY A 98 8.368 -17.191 -12.190 1.00 9.35 C ATOM 1479 O GLY A 98 7.781 -16.216 -11.727 1.00 9.23 O ATOM 0 H GLY A 98 10.864 -18.432 -12.482 1.00 10.71 H new ATOM 0 HA2 GLY A 98 10.152 -16.185 -12.818 1.00 10.57 H new ATOM 0 HA3 GLY A 98 9.121 -16.705 -14.136 1.00 10.57 H new ATOM 1483 N TYR A 99 8.085 -18.459 -11.847 1.00 8.53 N ATOM 1484 CA TYR A 99 7.035 -18.811 -10.898 1.00 7.35 C ATOM 1485 C TYR A 99 7.573 -18.731 -9.469 1.00 6.60 C ATOM 1486 O TYR A 99 8.790 -18.686 -9.257 1.00 6.68 O ATOM 1487 CB TYR A 99 6.544 -20.256 -11.133 1.00 7.03 C ATOM 1488 CG TYR A 99 5.559 -20.460 -12.267 1.00 7.42 C ATOM 1489 CD1 TYR A 99 4.228 -20.806 -12.012 1.00 7.29 C ATOM 1490 CD2 TYR A 99 5.965 -20.344 -13.593 1.00 8.16 C ATOM 1491 CE1 TYR A 99 3.342 -21.025 -13.051 1.00 7.85 C ATOM 1492 CE2 TYR A 99 5.079 -20.555 -14.632 1.00 8.71 C ATOM 1493 CZ TYR A 99 3.771 -20.895 -14.356 1.00 8.53 C ATOM 1494 OH TYR A 99 2.889 -21.112 -15.390 1.00 9.21 O ATOM 0 H TYR A 99 8.583 -19.265 -12.225 1.00 8.53 H new ATOM 0 HA TYR A 99 6.212 -18.110 -11.042 1.00 7.35 H new ATOM 0 HB2 TYR A 99 7.414 -20.886 -11.319 1.00 7.03 H new ATOM 0 HB3 TYR A 99 6.083 -20.614 -10.212 1.00 7.03 H new ATOM 0 HD1 TYR A 99 3.888 -20.903 -10.992 1.00 7.29 H new ATOM 0 HD2 TYR A 99 6.990 -20.085 -13.814 1.00 8.16 H new ATOM 0 HE1 TYR A 99 2.318 -21.297 -12.842 1.00 7.85 H new ATOM 0 HE2 TYR A 99 5.409 -20.454 -15.655 1.00 8.71 H new ATOM 0 HH TYR A 99 3.349 -20.979 -16.245 1.00 9.21 H new ATOM 1504 N ILE A 100 6.662 -18.717 -8.500 1.00 6.19 N ATOM 1505 CA ILE A 100 7.034 -18.692 -7.092 1.00 5.73 C ATOM 1506 C ILE A 100 6.356 -19.876 -6.392 1.00 4.64 C ATOM 1507 O ILE A 100 5.124 -19.949 -6.333 1.00 4.17 O ATOM 1508 CB ILE A 100 6.716 -17.318 -6.411 1.00 5.84 C ATOM 1509 CG1 ILE A 100 5.204 -17.068 -6.237 1.00 5.96 C ATOM 1510 CG2 ILE A 100 7.337 -16.183 -7.233 1.00 5.70 C ATOM 1511 CD1 ILE A 100 4.851 -16.194 -5.046 1.00 6.65 C ATOM 0 H ILE A 100 5.656 -18.723 -8.667 1.00 6.19 H new ATOM 0 HA ILE A 100 8.115 -18.798 -7.002 1.00 5.73 H new ATOM 0 HB ILE A 100 7.149 -17.347 -5.411 1.00 5.84 H new ATOM 0 HG12 ILE A 100 4.818 -16.601 -7.143 1.00 5.96 H new ATOM 0 HG13 ILE A 100 4.698 -18.028 -6.132 1.00 5.96 H new ATOM 0 HG21 ILE A 100 7.115 -15.227 -6.759 1.00 5.70 H new ATOM 0 HG22 ILE A 100 8.417 -16.320 -7.285 1.00 5.70 H new ATOM 0 HG23 ILE A 100 6.921 -16.193 -8.240 1.00 5.70 H new ATOM 0 HD11 ILE A 100 3.770 -16.067 -4.995 1.00 6.65 H new ATOM 0 HD12 ILE A 100 5.204 -16.667 -4.130 1.00 6.65 H new ATOM 0 HD13 ILE A 100 5.326 -15.219 -5.157 1.00 6.65 H new ATOM 1523 N SER A 101 7.168 -20.819 -5.891 1.00 4.56 N ATOM 1524 CA SER A 101 6.653 -22.032 -5.249 1.00 3.87 C ATOM 1525 C SER A 101 5.762 -21.756 -4.046 1.00 3.18 C ATOM 1526 O SER A 101 5.957 -20.787 -3.308 1.00 3.33 O ATOM 1527 CB SER A 101 7.781 -22.985 -4.866 1.00 4.59 C ATOM 1528 OG SER A 101 8.659 -22.403 -3.915 1.00 5.48 O ATOM 0 H SER A 101 8.186 -20.762 -5.920 1.00 4.56 H new ATOM 0 HA SER A 101 6.024 -22.510 -6.000 1.00 3.87 H new ATOM 0 HB2 SER A 101 7.359 -23.903 -4.458 1.00 4.59 H new ATOM 0 HB3 SER A 101 8.343 -23.262 -5.758 1.00 4.59 H new ATOM 0 HG SER A 101 9.368 -23.041 -3.691 1.00 5.48 H new ATOM 1534 N ALA A 102 4.780 -22.645 -3.880 1.00 2.74 N ATOM 1535 CA ALA A 102 3.795 -22.557 -2.793 1.00 2.63 C ATOM 1536 C ALA A 102 4.363 -22.920 -1.416 1.00 3.39 C ATOM 1537 O ALA A 102 3.763 -22.582 -0.394 1.00 3.61 O ATOM 1538 CB ALA A 102 2.611 -23.453 -3.104 1.00 3.06 C ATOM 0 H ALA A 102 4.643 -23.448 -4.494 1.00 2.74 H new ATOM 0 HA ALA A 102 3.489 -21.512 -2.738 1.00 2.63 H new ATOM 0 HB1 ALA A 102 1.882 -23.386 -2.296 1.00 3.06 H new ATOM 0 HB2 ALA A 102 2.148 -23.134 -4.038 1.00 3.06 H new ATOM 0 HB3 ALA A 102 2.951 -24.484 -3.201 1.00 3.06 H new ATOM 1544 N ALA A 103 5.519 -23.596 -1.396 1.00 4.09 N ATOM 1545 CA ALA A 103 6.162 -24.020 -0.142 1.00 5.20 C ATOM 1546 C ALA A 103 6.759 -22.848 0.650 1.00 5.47 C ATOM 1547 O ALA A 103 6.954 -22.957 1.865 1.00 6.33 O ATOM 1548 CB ALA A 103 7.240 -25.052 -0.437 1.00 5.96 C ATOM 0 H ALA A 103 6.031 -23.863 -2.237 1.00 4.09 H new ATOM 0 HA ALA A 103 5.384 -24.459 0.482 1.00 5.20 H new ATOM 0 HB1 ALA A 103 7.712 -25.362 0.495 1.00 5.96 H new ATOM 0 HB2 ALA A 103 6.791 -25.919 -0.922 1.00 5.96 H new ATOM 0 HB3 ALA A 103 7.991 -24.616 -1.096 1.00 5.96 H new ATOM 1554 N GLU A 104 7.045 -21.737 -0.042 1.00 4.91 N ATOM 1555 CA GLU A 104 7.635 -20.550 0.592 1.00 5.33 C ATOM 1556 C GLU A 104 6.588 -19.607 1.194 1.00 4.76 C ATOM 1557 O GLU A 104 6.800 -19.084 2.283 1.00 5.38 O ATOM 1558 CB GLU A 104 8.500 -19.773 -0.406 1.00 5.44 C ATOM 1559 CG GLU A 104 9.793 -20.480 -0.809 1.00 6.31 C ATOM 1560 CD GLU A 104 10.872 -20.415 0.259 1.00 6.92 C ATOM 1561 OE1 GLU A 104 10.698 -21.051 1.320 1.00 7.26 O ATOM 1562 OE2 GLU A 104 11.893 -19.732 0.031 1.00 7.37 O ATOM 0 H GLU A 104 6.877 -21.635 -1.043 1.00 4.91 H new ATOM 0 HA GLU A 104 8.252 -20.923 1.410 1.00 5.33 H new ATOM 0 HB2 GLU A 104 7.912 -19.579 -1.303 1.00 5.44 H new ATOM 0 HB3 GLU A 104 8.750 -18.804 0.027 1.00 5.44 H new ATOM 0 HG2 GLU A 104 9.574 -21.524 -1.031 1.00 6.31 H new ATOM 0 HG3 GLU A 104 10.173 -20.032 -1.727 1.00 6.31 H new ATOM 1569 N LEU A 105 5.478 -19.379 0.463 1.00 3.64 N ATOM 1570 CA LEU A 105 4.378 -18.475 0.879 1.00 3.09 C ATOM 1571 C LEU A 105 3.996 -18.547 2.334 1.00 4.03 C ATOM 1572 O LEU A 105 3.886 -17.517 2.999 1.00 4.13 O ATOM 1573 CB LEU A 105 3.114 -18.761 0.068 1.00 2.35 C ATOM 1574 CG LEU A 105 3.293 -18.861 -1.456 1.00 1.65 C ATOM 1575 CD1 LEU A 105 2.064 -19.457 -2.113 1.00 2.00 C ATOM 1576 CD2 LEU A 105 3.599 -17.499 -2.050 1.00 1.38 C ATOM 0 H LEU A 105 5.315 -19.820 -0.442 1.00 3.64 H new ATOM 0 HA LEU A 105 4.778 -17.478 0.696 1.00 3.09 H new ATOM 0 HB2 LEU A 105 2.683 -19.696 0.424 1.00 2.35 H new ATOM 0 HB3 LEU A 105 2.388 -17.975 0.277 1.00 2.35 H new ATOM 0 HG LEU A 105 4.137 -19.523 -1.649 1.00 1.65 H new ATOM 0 HD11 LEU A 105 2.219 -19.515 -3.190 1.00 2.00 H new ATOM 0 HD12 LEU A 105 1.889 -20.457 -1.717 1.00 2.00 H new ATOM 0 HD13 LEU A 105 1.199 -18.828 -1.905 1.00 2.00 H new ATOM 0 HD21 LEU A 105 3.722 -17.592 -3.129 1.00 1.38 H new ATOM 0 HD22 LEU A 105 2.777 -16.816 -1.836 1.00 1.38 H new ATOM 0 HD23 LEU A 105 4.518 -17.109 -1.612 1.00 1.38 H new ATOM 1588 N ARG A 106 3.774 -19.754 2.816 1.00 4.83 N ATOM 1589 CA ARG A 106 3.373 -19.951 4.201 1.00 5.95 C ATOM 1590 C ARG A 106 4.463 -19.485 5.145 1.00 6.65 C ATOM 1591 O ARG A 106 4.211 -19.177 6.301 1.00 7.39 O ATOM 1592 CB ARG A 106 3.020 -21.413 4.491 1.00 6.81 C ATOM 1593 CG ARG A 106 1.931 -22.001 3.590 1.00 6.46 C ATOM 1594 CD ARG A 106 2.517 -22.644 2.352 1.00 5.99 C ATOM 1595 NE ARG A 106 1.532 -23.464 1.637 1.00 6.40 N ATOM 1596 CZ ARG A 106 1.825 -24.565 0.930 1.00 6.89 C ATOM 1597 NH1 ARG A 106 3.078 -25.005 0.827 1.00 7.08 N ATOM 1598 NH2 ARG A 106 0.853 -25.233 0.324 1.00 7.37 N ATOM 0 H ARG A 106 3.863 -20.613 2.273 1.00 4.83 H new ATOM 0 HA ARG A 106 2.477 -19.352 4.364 1.00 5.95 H new ATOM 0 HB2 ARG A 106 3.922 -22.017 4.389 1.00 6.81 H new ATOM 0 HB3 ARG A 106 2.697 -21.495 5.529 1.00 6.81 H new ATOM 0 HG2 ARG A 106 1.357 -22.741 4.148 1.00 6.46 H new ATOM 0 HG3 ARG A 106 1.236 -21.214 3.297 1.00 6.46 H new ATOM 0 HD2 ARG A 106 2.895 -21.869 1.686 1.00 5.99 H new ATOM 0 HD3 ARG A 106 3.368 -23.264 2.634 1.00 5.99 H new ATOM 0 HE ARG A 106 0.555 -23.176 1.681 1.00 6.40 H new ATOM 0 HH11 ARG A 106 3.835 -24.502 1.291 1.00 7.08 H new ATOM 0 HH12 ARG A 106 3.281 -25.845 0.285 1.00 7.08 H new ATOM 0 HH21 ARG A 106 -0.111 -24.909 0.397 1.00 7.37 H new ATOM 0 HH22 ARG A 106 1.070 -26.071 -0.215 1.00 7.37 H new ATOM 1612 N HIS A 107 5.676 -19.494 4.627 1.00 6.60 N ATOM 1613 CA HIS A 107 6.833 -19.003 5.334 1.00 7.43 C ATOM 1614 C HIS A 107 7.007 -17.503 5.058 1.00 6.90 C ATOM 1615 O HIS A 107 7.676 -16.808 5.827 1.00 7.61 O ATOM 1616 CB HIS A 107 8.096 -19.770 4.927 1.00 8.00 C ATOM 1617 CG HIS A 107 8.123 -21.190 5.406 1.00 8.87 C ATOM 1618 ND1 HIS A 107 8.838 -21.598 6.512 1.00 9.79 N ATOM 1619 CD2 HIS A 107 7.518 -22.301 4.921 1.00 9.07 C ATOM 1620 CE1 HIS A 107 8.673 -22.897 6.687 1.00 10.41 C ATOM 1621 NE2 HIS A 107 7.876 -23.346 5.735 1.00 10.03 N ATOM 0 H HIS A 107 5.883 -19.847 3.693 1.00 6.60 H new ATOM 0 HA HIS A 107 6.679 -19.158 6.402 1.00 7.43 H new ATOM 0 HB2 HIS A 107 8.180 -19.761 3.840 1.00 8.00 H new ATOM 0 HB3 HIS A 107 8.969 -19.248 5.319 1.00 8.00 H new ATOM 0 HD2 HIS A 107 6.874 -22.354 4.055 1.00 9.07 H new ATOM 0 HE1 HIS A 107 9.115 -23.490 7.474 1.00 10.41 H new ATOM 0 HE2 HIS A 107 7.575 -24.314 5.623 1.00 10.03 H new ATOM 1630 N VAL A 108 6.399 -17.008 3.945 1.00 5.69 N ATOM 1631 CA VAL A 108 6.486 -15.597 3.580 1.00 5.20 C ATOM 1632 C VAL A 108 5.421 -14.767 4.271 1.00 4.84 C ATOM 1633 O VAL A 108 5.746 -13.872 5.047 1.00 5.36 O ATOM 1634 CB VAL A 108 6.386 -15.388 2.037 1.00 4.27 C ATOM 1635 CG1 VAL A 108 6.591 -13.931 1.668 1.00 4.16 C ATOM 1636 CG2 VAL A 108 7.347 -16.279 1.272 1.00 4.80 C ATOM 0 H VAL A 108 5.850 -17.575 3.299 1.00 5.69 H new ATOM 0 HA VAL A 108 7.466 -15.258 3.916 1.00 5.20 H new ATOM 0 HB VAL A 108 5.377 -15.678 1.744 1.00 4.27 H new ATOM 0 HG11 VAL A 108 6.516 -13.815 0.587 1.00 4.16 H new ATOM 0 HG12 VAL A 108 5.827 -13.322 2.152 1.00 4.16 H new ATOM 0 HG13 VAL A 108 7.577 -13.607 2.000 1.00 4.16 H new ATOM 0 HG21 VAL A 108 7.239 -16.097 0.203 1.00 4.80 H new ATOM 0 HG22 VAL A 108 8.370 -16.057 1.577 1.00 4.80 H new ATOM 0 HG23 VAL A 108 7.123 -17.324 1.486 1.00 4.80 H new ATOM 1646 N MET A 109 4.161 -15.042 3.951 1.00 4.11 N ATOM 1647 CA MET A 109 3.031 -14.351 4.583 1.00 4.08 C ATOM 1648 C MET A 109 3.130 -14.436 6.099 1.00 5.33 C ATOM 1649 O MET A 109 2.756 -13.493 6.803 1.00 5.53 O ATOM 1650 CB MET A 109 1.709 -14.868 4.055 1.00 3.81 C ATOM 1651 CG MET A 109 1.332 -14.172 2.750 1.00 2.70 C ATOM 1652 SD MET A 109 -0.353 -14.502 2.222 1.00 3.27 S ATOM 1653 CE MET A 109 -0.165 -16.159 1.595 1.00 3.46 C ATOM 0 H MET A 109 3.891 -15.739 3.257 1.00 4.11 H new ATOM 0 HA MET A 109 3.077 -13.294 4.319 1.00 4.08 H new ATOM 0 HB2 MET A 109 1.774 -15.944 3.892 1.00 3.81 H new ATOM 0 HB3 MET A 109 0.928 -14.705 4.797 1.00 3.81 H new ATOM 0 HG2 MET A 109 1.462 -13.097 2.870 1.00 2.70 H new ATOM 0 HG3 MET A 109 2.019 -14.491 1.966 1.00 2.70 H new ATOM 0 HE1 MET A 109 -0.334 -16.162 0.518 1.00 3.46 H new ATOM 0 HE2 MET A 109 0.843 -16.515 1.805 1.00 3.46 H new ATOM 0 HE3 MET A 109 -0.890 -16.815 2.077 1.00 3.46 H new ATOM 1663 N THR A 110 3.637 -15.577 6.596 1.00 6.20 N ATOM 1664 CA THR A 110 3.911 -15.720 8.028 1.00 7.45 C ATOM 1665 C THR A 110 5.116 -14.827 8.412 1.00 7.80 C ATOM 1666 O THR A 110 5.191 -14.344 9.545 1.00 8.54 O ATOM 1667 CB THR A 110 4.205 -17.185 8.399 1.00 8.32 C ATOM 1668 OG1 THR A 110 3.093 -18.001 8.014 1.00 8.16 O ATOM 1669 CG2 THR A 110 4.456 -17.373 9.896 1.00 9.65 C ATOM 0 H THR A 110 3.861 -16.399 6.035 1.00 6.20 H new ATOM 0 HA THR A 110 3.026 -15.406 8.581 1.00 7.45 H new ATOM 0 HB THR A 110 5.112 -17.477 7.870 1.00 8.32 H new ATOM 0 HG1 THR A 110 3.407 -18.734 7.444 1.00 8.16 H new ATOM 0 HG21 THR A 110 4.658 -18.424 10.102 1.00 9.65 H new ATOM 0 HG22 THR A 110 5.314 -16.772 10.199 1.00 9.65 H new ATOM 0 HG23 THR A 110 3.575 -17.057 10.455 1.00 9.65 H new ATOM 1677 N ASN A 111 6.061 -14.622 7.457 1.00 7.42 N ATOM 1678 CA ASN A 111 7.239 -13.762 7.693 1.00 8.00 C ATOM 1679 C ASN A 111 6.847 -12.276 7.859 1.00 7.57 C ATOM 1680 O ASN A 111 7.340 -11.614 8.777 1.00 8.26 O ATOM 1681 CB ASN A 111 8.261 -13.919 6.558 1.00 7.98 C ATOM 1682 CG ASN A 111 9.684 -13.624 7.002 1.00 9.16 C ATOM 1683 OD1 ASN A 111 10.408 -14.518 7.440 1.00 9.84 O ATOM 1684 ND2 ASN A 111 10.090 -12.364 6.890 1.00 9.58 N ATOM 0 H ASN A 111 6.026 -15.039 6.527 1.00 7.42 H new ATOM 0 HA ASN A 111 7.694 -14.089 8.628 1.00 8.00 H new ATOM 0 HB2 ASN A 111 8.210 -14.935 6.168 1.00 7.98 H new ATOM 0 HB3 ASN A 111 7.994 -13.250 5.740 1.00 7.98 H new ATOM 0 HD21 ASN A 111 11.035 -12.106 7.172 1.00 9.58 H new ATOM 0 HD22 ASN A 111 9.456 -11.655 6.521 1.00 9.58 H new ATOM 1691 N LEU A 112 5.964 -11.754 6.973 1.00 6.48 N ATOM 1692 CA LEU A 112 5.512 -10.350 7.055 1.00 6.02 C ATOM 1693 C LEU A 112 4.571 -10.137 8.244 1.00 6.50 C ATOM 1694 O LEU A 112 4.829 -9.300 9.114 1.00 6.87 O ATOM 1695 CB LEU A 112 4.811 -9.860 5.781 1.00 4.81 C ATOM 1696 CG LEU A 112 3.904 -10.866 5.091 1.00 4.44 C ATOM 1697 CD1 LEU A 112 2.587 -10.226 4.683 1.00 4.55 C ATOM 1698 CD2 LEU A 112 4.635 -11.451 3.908 1.00 4.77 C ATOM 0 H LEU A 112 5.556 -12.281 6.201 1.00 6.48 H new ATOM 0 HA LEU A 112 6.422 -9.765 7.185 1.00 6.02 H new ATOM 0 HB2 LEU A 112 4.220 -8.979 6.031 1.00 4.81 H new ATOM 0 HB3 LEU A 112 5.573 -9.541 5.070 1.00 4.81 H new ATOM 0 HG LEU A 112 3.656 -11.670 5.784 1.00 4.44 H new ATOM 0 HD11 LEU A 112 1.958 -10.969 4.192 1.00 4.55 H new ATOM 0 HD12 LEU A 112 2.077 -9.847 5.569 1.00 4.55 H new ATOM 0 HD13 LEU A 112 2.780 -9.403 3.996 1.00 4.55 H new ATOM 0 HD21 LEU A 112 3.993 -12.175 3.405 1.00 4.77 H new ATOM 0 HD22 LEU A 112 4.898 -10.654 3.212 1.00 4.77 H new ATOM 0 HD23 LEU A 112 5.543 -11.948 4.251 1.00 4.77 H new ATOM 1710 N GLY A 113 3.480 -10.915 8.253 1.00 6.67 N ATOM 1711 CA GLY A 113 2.485 -10.828 9.314 1.00 7.40 C ATOM 1712 C GLY A 113 2.721 -11.829 10.424 1.00 8.34 C ATOM 1713 O GLY A 113 3.060 -12.986 10.163 1.00 8.64 O ATOM 0 H GLY A 113 3.270 -11.609 7.535 1.00 6.67 H new ATOM 0 HA2 GLY A 113 2.493 -9.821 9.731 1.00 7.40 H new ATOM 0 HA3 GLY A 113 1.494 -10.989 8.890 1.00 7.40 H new ATOM 1717 N GLU A 114 2.528 -11.374 11.665 1.00 8.94 N ATOM 1718 CA GLU A 114 2.711 -12.215 12.855 1.00 10.00 C ATOM 1719 C GLU A 114 1.453 -13.018 13.169 1.00 10.47 C ATOM 1720 O GLU A 114 1.525 -14.118 13.724 1.00 11.33 O ATOM 1721 CB GLU A 114 3.072 -11.351 14.064 1.00 10.43 C ATOM 1722 CG GLU A 114 4.472 -10.756 14.007 1.00 10.39 C ATOM 1723 CD GLU A 114 4.791 -9.901 15.218 1.00 11.02 C ATOM 1724 OE1 GLU A 114 5.315 -10.450 16.210 1.00 11.20 O ATOM 1725 OE2 GLU A 114 4.518 -8.683 15.173 1.00 11.47 O ATOM 0 H GLU A 114 2.242 -10.418 11.875 1.00 8.94 H new ATOM 0 HA GLU A 114 3.523 -12.911 12.643 1.00 10.00 H new ATOM 0 HB2 GLU A 114 2.348 -10.541 14.147 1.00 10.43 H new ATOM 0 HB3 GLU A 114 2.981 -11.954 14.968 1.00 10.43 H new ATOM 0 HG2 GLU A 114 5.203 -11.562 13.933 1.00 10.39 H new ATOM 0 HG3 GLU A 114 4.570 -10.153 13.105 1.00 10.39 H new ATOM 1732 N LYS A 115 0.309 -12.445 12.803 1.00 10.04 N ATOM 1733 CA LYS A 115 -1.002 -13.068 13.025 1.00 10.61 C ATOM 1734 C LYS A 115 -1.378 -14.015 11.896 1.00 10.14 C ATOM 1735 O LYS A 115 -2.035 -15.038 12.108 1.00 10.70 O ATOM 1736 CB LYS A 115 -2.096 -12.001 13.167 1.00 11.03 C ATOM 1737 CG LYS A 115 -2.096 -10.989 12.016 1.00 10.36 C ATOM 1738 CD LYS A 115 -1.821 -9.565 12.499 1.00 10.71 C ATOM 1739 CE LYS A 115 -0.372 -9.380 12.946 1.00 10.61 C ATOM 1740 NZ LYS A 115 0.554 -9.224 11.790 1.00 10.83 N ATOM 0 H LYS A 115 0.260 -11.536 12.344 1.00 10.04 H new ATOM 0 HA LYS A 115 -0.924 -13.641 13.949 1.00 10.61 H new ATOM 0 HB2 LYS A 115 -3.069 -12.490 13.214 1.00 11.03 H new ATOM 0 HB3 LYS A 115 -1.959 -11.471 14.110 1.00 11.03 H new ATOM 0 HG2 LYS A 115 -1.341 -11.275 11.283 1.00 10.36 H new ATOM 0 HG3 LYS A 115 -3.060 -11.019 11.508 1.00 10.36 H new ATOM 0 HD2 LYS A 115 -2.045 -8.861 11.698 1.00 10.71 H new ATOM 0 HD3 LYS A 115 -2.489 -9.328 13.327 1.00 10.71 H new ATOM 0 HE2 LYS A 115 -0.300 -8.503 13.589 1.00 10.61 H new ATOM 0 HE3 LYS A 115 -0.065 -10.238 13.543 1.00 10.61 H new ATOM 0 HZ1 LYS A 115 1.518 -9.050 12.139 1.00 10.83 H new ATOM 0 HZ2 LYS A 115 0.544 -10.092 11.217 1.00 10.83 H new ATOM 0 HZ3 LYS A 115 0.247 -8.420 11.206 1.00 10.83 H new ATOM 1754 N LEU A 116 -0.941 -13.641 10.700 1.00 9.19 N ATOM 1755 CA LEU A 116 -1.223 -14.381 9.481 1.00 8.69 C ATOM 1756 C LEU A 116 -0.610 -15.786 9.495 1.00 9.07 C ATOM 1757 O LEU A 116 0.610 -15.944 9.622 1.00 9.05 O ATOM 1758 CB LEU A 116 -0.694 -13.606 8.283 1.00 7.40 C ATOM 1759 CG LEU A 116 -1.674 -12.624 7.616 1.00 6.84 C ATOM 1760 CD1 LEU A 116 -1.861 -11.363 8.455 1.00 6.44 C ATOM 1761 CD2 LEU A 116 -1.187 -12.259 6.221 1.00 6.43 C ATOM 0 H LEU A 116 -0.375 -12.806 10.550 1.00 9.19 H new ATOM 0 HA LEU A 116 -2.304 -14.498 9.412 1.00 8.69 H new ATOM 0 HB2 LEU A 116 0.187 -13.047 8.599 1.00 7.40 H new ATOM 0 HB3 LEU A 116 -0.364 -14.323 7.531 1.00 7.40 H new ATOM 0 HG LEU A 116 -2.641 -13.121 7.539 1.00 6.84 H new ATOM 0 HD11 LEU A 116 -2.559 -10.693 7.954 1.00 6.44 H new ATOM 0 HD12 LEU A 116 -2.257 -11.633 9.434 1.00 6.44 H new ATOM 0 HD13 LEU A 116 -0.901 -10.862 8.577 1.00 6.44 H new ATOM 0 HD21 LEU A 116 -1.889 -11.564 5.761 1.00 6.43 H new ATOM 0 HD22 LEU A 116 -0.205 -11.791 6.289 1.00 6.43 H new ATOM 0 HD23 LEU A 116 -1.117 -13.161 5.612 1.00 6.43 H new ATOM 1773 N THR A 117 -1.473 -16.790 9.376 1.00 9.56 N ATOM 1774 CA THR A 117 -1.063 -18.178 9.371 1.00 10.01 C ATOM 1775 C THR A 117 -1.169 -18.837 8.020 1.00 9.24 C ATOM 1776 O THR A 117 -1.461 -18.214 7.002 1.00 8.29 O ATOM 1777 CB THR A 117 -1.872 -19.036 10.354 1.00 11.26 C ATOM 1778 OG1 THR A 117 -3.258 -18.677 10.316 1.00 11.46 O ATOM 1779 CG2 THR A 117 -1.328 -18.852 11.735 1.00 12.18 C ATOM 0 H THR A 117 -2.480 -16.656 9.280 1.00 9.56 H new ATOM 0 HA THR A 117 -0.016 -18.134 9.672 1.00 10.01 H new ATOM 0 HB THR A 117 -1.785 -20.084 10.066 1.00 11.26 H new ATOM 0 HG1 THR A 117 -3.730 -19.117 11.053 1.00 11.46 H new ATOM 0 HG21 THR A 117 -1.900 -19.460 12.436 1.00 12.18 H new ATOM 0 HG22 THR A 117 -0.282 -19.159 11.758 1.00 12.18 H new ATOM 0 HG23 THR A 117 -1.404 -17.802 12.019 1.00 12.18 H new ATOM 1787 N ASP A 118 -0.887 -20.130 8.067 1.00 9.74 N ATOM 1788 CA ASP A 118 -0.936 -21.032 6.930 1.00 9.28 C ATOM 1789 C ASP A 118 -2.324 -21.151 6.333 1.00 9.42 C ATOM 1790 O ASP A 118 -2.466 -21.379 5.130 1.00 8.80 O ATOM 1791 CB ASP A 118 -0.465 -22.383 7.420 1.00 10.08 C ATOM 1792 CG ASP A 118 1.035 -22.565 7.295 1.00 9.81 C ATOM 1793 OD1 ASP A 118 1.774 -21.994 8.124 1.00 9.86 O ATOM 1794 OD2 ASP A 118 1.471 -23.281 6.369 1.00 9.76 O ATOM 0 H ASP A 118 -0.608 -20.596 8.931 1.00 9.74 H new ATOM 0 HA ASP A 118 -0.300 -20.641 6.136 1.00 9.28 H new ATOM 0 HB2 ASP A 118 -0.755 -22.507 8.463 1.00 10.08 H new ATOM 0 HB3 ASP A 118 -0.970 -23.166 6.853 1.00 10.08 H new ATOM 1799 N GLU A 119 -3.339 -21.001 7.180 1.00 10.37 N ATOM 1800 CA GLU A 119 -4.728 -21.053 6.727 1.00 10.83 C ATOM 1801 C GLU A 119 -5.034 -19.855 5.834 1.00 10.04 C ATOM 1802 O GLU A 119 -5.987 -19.879 5.053 1.00 10.27 O ATOM 1803 CB GLU A 119 -5.730 -21.177 7.895 1.00 12.10 C ATOM 1804 CG GLU A 119 -5.603 -20.106 8.974 1.00 13.08 C ATOM 1805 CD GLU A 119 -6.613 -20.278 10.091 1.00 14.16 C ATOM 1806 OE1 GLU A 119 -6.293 -20.971 11.080 1.00 14.50 O ATOM 1807 OE2 GLU A 119 -7.724 -19.719 9.979 1.00 14.78 O ATOM 0 H GLU A 119 -3.227 -20.843 8.181 1.00 10.37 H new ATOM 0 HA GLU A 119 -4.851 -21.961 6.137 1.00 10.83 H new ATOM 0 HB2 GLU A 119 -6.742 -21.145 7.490 1.00 12.10 H new ATOM 0 HB3 GLU A 119 -5.604 -22.155 8.359 1.00 12.10 H new ATOM 0 HG2 GLU A 119 -4.597 -20.135 9.392 1.00 13.08 H new ATOM 0 HG3 GLU A 119 -5.732 -19.123 8.521 1.00 13.08 H new ATOM 1814 N GLU A 120 -4.204 -18.809 5.973 1.00 9.24 N ATOM 1815 CA GLU A 120 -4.288 -17.632 5.118 1.00 8.40 C ATOM 1816 C GLU A 120 -3.850 -18.079 3.734 1.00 7.57 C ATOM 1817 O GLU A 120 -4.462 -17.728 2.733 1.00 7.44 O ATOM 1818 CB GLU A 120 -3.369 -16.493 5.610 1.00 7.71 C ATOM 1819 CG GLU A 120 -3.713 -15.102 5.074 1.00 7.14 C ATOM 1820 CD GLU A 120 -5.045 -14.566 5.576 1.00 8.10 C ATOM 1821 OE1 GLU A 120 -5.057 -13.905 6.636 1.00 8.52 O ATOM 1822 OE2 GLU A 120 -6.072 -14.809 4.908 1.00 8.58 O ATOM 0 H GLU A 120 -3.466 -18.762 6.676 1.00 9.24 H new ATOM 0 HA GLU A 120 -5.304 -17.239 5.124 1.00 8.40 H new ATOM 0 HB2 GLU A 120 -3.404 -16.464 6.699 1.00 7.71 H new ATOM 0 HB3 GLU A 120 -2.342 -16.729 5.330 1.00 7.71 H new ATOM 0 HG2 GLU A 120 -2.922 -14.407 5.357 1.00 7.14 H new ATOM 0 HG3 GLU A 120 -3.732 -15.137 3.985 1.00 7.14 H new ATOM 1829 N VAL A 121 -2.802 -18.926 3.704 1.00 7.19 N ATOM 1830 CA VAL A 121 -2.284 -19.452 2.477 1.00 6.42 C ATOM 1831 C VAL A 121 -3.251 -20.471 1.875 1.00 7.15 C ATOM 1832 O VAL A 121 -3.635 -20.346 0.716 1.00 6.95 O ATOM 1833 CB VAL A 121 -0.891 -20.068 2.727 1.00 5.97 C ATOM 1834 CG1 VAL A 121 -0.263 -20.470 1.426 1.00 5.00 C ATOM 1835 CG2 VAL A 121 0.017 -19.088 3.468 1.00 5.72 C ATOM 0 H VAL A 121 -2.310 -19.248 4.538 1.00 7.19 H new ATOM 0 HA VAL A 121 -2.178 -18.644 1.754 1.00 6.42 H new ATOM 0 HB VAL A 121 -1.018 -20.953 3.351 1.00 5.97 H new ATOM 0 HG11 VAL A 121 0.719 -20.903 1.615 1.00 5.00 H new ATOM 0 HG12 VAL A 121 -0.895 -21.206 0.929 1.00 5.00 H new ATOM 0 HG13 VAL A 121 -0.156 -19.593 0.787 1.00 5.00 H new ATOM 0 HG21 VAL A 121 0.992 -19.547 3.631 1.00 5.72 H new ATOM 0 HG22 VAL A 121 0.137 -18.183 2.873 1.00 5.72 H new ATOM 0 HG23 VAL A 121 -0.430 -18.834 4.429 1.00 5.72 H new ATOM 1845 N ASP A 122 -3.677 -21.431 2.699 1.00 8.17 N ATOM 1846 CA ASP A 122 -4.622 -22.491 2.282 1.00 9.00 C ATOM 1847 C ASP A 122 -5.939 -21.890 1.775 1.00 9.58 C ATOM 1848 O ASP A 122 -6.652 -22.515 0.989 1.00 10.07 O ATOM 1849 CB ASP A 122 -4.887 -23.453 3.446 1.00 10.08 C ATOM 1850 CG ASP A 122 -5.290 -24.843 2.982 1.00 9.97 C ATOM 1851 OD1 ASP A 122 -6.504 -25.083 2.813 1.00 10.09 O ATOM 1852 OD2 ASP A 122 -4.391 -25.688 2.789 1.00 9.98 O ATOM 0 H ASP A 122 -3.383 -21.503 3.673 1.00 8.17 H new ATOM 0 HA ASP A 122 -4.168 -23.046 1.461 1.00 9.00 H new ATOM 0 HB2 ASP A 122 -3.991 -23.526 4.062 1.00 10.08 H new ATOM 0 HB3 ASP A 122 -5.675 -23.043 4.078 1.00 10.08 H new ATOM 1857 N GLU A 123 -6.230 -20.668 2.240 1.00 9.61 N ATOM 1858 CA GLU A 123 -7.431 -19.923 1.844 1.00 10.24 C ATOM 1859 C GLU A 123 -7.278 -19.395 0.408 1.00 9.65 C ATOM 1860 O GLU A 123 -8.228 -19.437 -0.380 1.00 10.36 O ATOM 1861 CB GLU A 123 -7.681 -18.759 2.813 1.00 10.45 C ATOM 1862 CG GLU A 123 -9.148 -18.378 2.960 1.00 11.70 C ATOM 1863 CD GLU A 123 -9.358 -17.227 3.924 1.00 11.94 C ATOM 1864 OE1 GLU A 123 -9.335 -16.062 3.473 1.00 12.02 O ATOM 1865 OE2 GLU A 123 -9.545 -17.490 5.131 1.00 12.16 O ATOM 0 H GLU A 123 -5.638 -20.168 2.903 1.00 9.61 H new ATOM 0 HA GLU A 123 -8.287 -20.597 1.881 1.00 10.24 H new ATOM 0 HB2 GLU A 123 -7.286 -19.025 3.793 1.00 10.45 H new ATOM 0 HB3 GLU A 123 -7.123 -17.888 2.470 1.00 10.45 H new ATOM 0 HG2 GLU A 123 -9.549 -18.107 1.983 1.00 11.70 H new ATOM 0 HG3 GLU A 123 -9.712 -19.244 3.306 1.00 11.70 H new ATOM 1872 N MET A 124 -6.068 -18.899 0.086 1.00 8.45 N ATOM 1873 CA MET A 124 -5.756 -18.385 -1.250 1.00 7.91 C ATOM 1874 C MET A 124 -5.311 -19.487 -2.189 1.00 7.70 C ATOM 1875 O MET A 124 -5.344 -19.316 -3.412 1.00 7.76 O ATOM 1876 CB MET A 124 -4.676 -17.304 -1.177 1.00 6.78 C ATOM 1877 CG MET A 124 -5.230 -15.888 -1.129 1.00 6.98 C ATOM 1878 SD MET A 124 -4.422 -14.855 0.107 1.00 6.62 S ATOM 1879 CE MET A 124 -5.206 -15.451 1.600 1.00 7.40 C ATOM 0 H MET A 124 -5.289 -18.846 0.742 1.00 8.45 H new ATOM 0 HA MET A 124 -6.674 -17.951 -1.646 1.00 7.91 H new ATOM 0 HB2 MET A 124 -4.063 -17.475 -0.292 1.00 6.78 H new ATOM 0 HB3 MET A 124 -4.020 -17.399 -2.043 1.00 6.78 H new ATOM 0 HG2 MET A 124 -5.117 -15.426 -2.110 1.00 6.98 H new ATOM 0 HG3 MET A 124 -6.298 -15.929 -0.917 1.00 6.98 H new ATOM 0 HE1 MET A 124 -5.830 -14.663 2.023 1.00 7.40 H new ATOM 0 HE2 MET A 124 -5.825 -16.317 1.365 1.00 7.40 H new ATOM 0 HE3 MET A 124 -4.442 -15.736 2.323 1.00 7.40 H new ATOM 1889 N ILE A 125 -4.897 -20.615 -1.616 1.00 7.60 N ATOM 1890 CA ILE A 125 -4.454 -21.755 -2.395 1.00 7.41 C ATOM 1891 C ILE A 125 -5.581 -22.345 -3.236 1.00 8.49 C ATOM 1892 O ILE A 125 -5.388 -22.654 -4.411 1.00 8.45 O ATOM 1893 CB ILE A 125 -3.814 -22.831 -1.520 1.00 7.24 C ATOM 1894 CG1 ILE A 125 -2.502 -22.312 -0.939 1.00 6.16 C ATOM 1895 CG2 ILE A 125 -3.569 -24.033 -2.373 1.00 7.27 C ATOM 1896 CD1 ILE A 125 -1.962 -23.131 0.188 1.00 6.48 C ATOM 0 H ILE A 125 -4.861 -20.758 -0.607 1.00 7.60 H new ATOM 0 HA ILE A 125 -3.690 -21.382 -3.077 1.00 7.41 H new ATOM 0 HB ILE A 125 -4.471 -23.092 -0.691 1.00 7.24 H new ATOM 0 HG12 ILE A 125 -1.757 -22.272 -1.734 1.00 6.16 H new ATOM 0 HG13 ILE A 125 -2.651 -21.290 -0.591 1.00 6.16 H new ATOM 0 HG21 ILE A 125 -3.111 -24.819 -1.772 1.00 7.27 H new ATOM 0 HG22 ILE A 125 -4.516 -24.391 -2.778 1.00 7.27 H new ATOM 0 HG23 ILE A 125 -2.901 -23.768 -3.192 1.00 7.27 H new ATOM 0 HD11 ILE A 125 -1.029 -22.693 0.542 1.00 6.48 H new ATOM 0 HD12 ILE A 125 -2.686 -23.151 1.003 1.00 6.48 H new ATOM 0 HD13 ILE A 125 -1.777 -24.148 -0.157 1.00 6.48 H new ATOM 1908 N ARG A 126 -6.724 -22.544 -2.592 1.00 9.53 N ATOM 1909 CA ARG A 126 -7.957 -23.049 -3.242 1.00 10.70 C ATOM 1910 C ARG A 126 -8.185 -22.370 -4.598 1.00 10.89 C ATOM 1911 O ARG A 126 -8.635 -23.012 -5.552 1.00 11.45 O ATOM 1912 CB ARG A 126 -9.193 -22.796 -2.368 1.00 11.76 C ATOM 1913 CG ARG A 126 -9.087 -23.306 -0.939 1.00 12.03 C ATOM 1914 CD ARG A 126 -9.477 -22.216 0.040 1.00 12.20 C ATOM 1915 NE ARG A 126 -9.383 -22.664 1.434 1.00 12.92 N ATOM 1916 CZ ARG A 126 -10.020 -22.090 2.466 1.00 13.50 C ATOM 1917 NH1 ARG A 126 -10.811 -21.034 2.286 1.00 13.44 N ATOM 1918 NH2 ARG A 126 -9.861 -22.582 3.687 1.00 14.26 N ATOM 0 H ARG A 126 -6.837 -22.362 -1.595 1.00 9.53 H new ATOM 0 HA ARG A 126 -7.819 -24.121 -3.382 1.00 10.70 H new ATOM 0 HB2 ARG A 126 -9.387 -21.724 -2.341 1.00 11.76 H new ATOM 0 HB3 ARG A 126 -10.056 -23.264 -2.842 1.00 11.76 H new ATOM 0 HG2 ARG A 126 -9.735 -24.172 -0.806 1.00 12.03 H new ATOM 0 HG3 ARG A 126 -8.068 -23.637 -0.738 1.00 12.03 H new ATOM 0 HD2 ARG A 126 -8.831 -21.350 -0.106 1.00 12.20 H new ATOM 0 HD3 ARG A 126 -10.497 -21.891 -0.168 1.00 12.20 H new ATOM 0 HE ARG A 126 -8.791 -23.470 1.633 1.00 12.92 H new ATOM 0 HH11 ARG A 126 -10.941 -20.648 1.351 1.00 13.44 H new ATOM 0 HH12 ARG A 126 -11.287 -20.611 3.083 1.00 13.44 H new ATOM 0 HH21 ARG A 126 -9.258 -23.391 3.836 1.00 14.26 H new ATOM 0 HH22 ARG A 126 -10.342 -22.151 4.477 1.00 14.26 H new ATOM 1932 N GLU A 127 -7.865 -21.061 -4.665 1.00 10.50 N ATOM 1933 CA GLU A 127 -7.998 -20.290 -5.904 1.00 10.79 C ATOM 1934 C GLU A 127 -6.809 -20.535 -6.838 1.00 10.06 C ATOM 1935 O GLU A 127 -6.951 -20.467 -8.062 1.00 10.61 O ATOM 1936 CB GLU A 127 -8.103 -18.800 -5.587 1.00 10.70 C ATOM 1937 CG GLU A 127 -9.467 -18.374 -5.047 1.00 11.77 C ATOM 1938 CD GLU A 127 -10.516 -18.222 -6.135 1.00 12.85 C ATOM 1939 OE1 GLU A 127 -11.209 -19.217 -6.436 1.00 13.26 O ATOM 1940 OE2 GLU A 127 -10.644 -17.107 -6.685 1.00 13.42 O ATOM 0 H GLU A 127 -7.514 -20.523 -3.873 1.00 10.50 H new ATOM 0 HA GLU A 127 -8.906 -20.620 -6.408 1.00 10.79 H new ATOM 0 HB2 GLU A 127 -7.337 -18.540 -4.856 1.00 10.70 H new ATOM 0 HB3 GLU A 127 -7.888 -18.231 -6.491 1.00 10.70 H new ATOM 0 HG2 GLU A 127 -9.810 -19.110 -4.320 1.00 11.77 H new ATOM 0 HG3 GLU A 127 -9.362 -17.428 -4.517 1.00 11.77 H new ATOM 1947 N ALA A 128 -5.638 -20.821 -6.243 1.00 8.89 N ATOM 1948 CA ALA A 128 -4.409 -21.086 -6.999 1.00 8.16 C ATOM 1949 C ALA A 128 -4.363 -22.486 -7.619 1.00 8.57 C ATOM 1950 O ALA A 128 -3.713 -22.684 -8.650 1.00 8.66 O ATOM 1951 CB ALA A 128 -3.223 -20.942 -6.077 1.00 6.87 C ATOM 0 H ALA A 128 -5.520 -20.874 -5.231 1.00 8.89 H new ATOM 0 HA ALA A 128 -4.384 -20.364 -7.815 1.00 8.16 H new ATOM 0 HB1 ALA A 128 -2.305 -21.137 -6.632 1.00 6.87 H new ATOM 0 HB2 ALA A 128 -3.195 -19.929 -5.675 1.00 6.87 H new ATOM 0 HB3 ALA A 128 -3.311 -21.655 -5.257 1.00 6.87 H new ATOM 1957 N ALA A 129 -5.046 -23.452 -6.967 1.00 8.95 N ATOM 1958 CA ALA A 129 -5.082 -24.880 -7.378 1.00 9.43 C ATOM 1959 C ALA A 129 -3.792 -25.578 -6.932 1.00 8.51 C ATOM 1960 O ALA A 129 -3.838 -26.582 -6.217 1.00 8.76 O ATOM 1961 CB ALA A 129 -5.332 -25.070 -8.881 1.00 10.42 C ATOM 0 H ALA A 129 -5.596 -23.263 -6.129 1.00 8.95 H new ATOM 0 HA ALA A 129 -5.934 -25.343 -6.879 1.00 9.43 H new ATOM 0 HB1 ALA A 129 -5.347 -26.134 -9.116 1.00 10.42 H new ATOM 0 HB2 ALA A 129 -6.291 -24.626 -9.149 1.00 10.42 H new ATOM 0 HB3 ALA A 129 -4.536 -24.585 -9.446 1.00 10.42 H new ATOM 1967 N ILE A 130 -2.638 -25.015 -7.358 1.00 7.54 N ATOM 1968 CA ILE A 130 -1.285 -25.502 -6.996 1.00 6.69 C ATOM 1969 C ILE A 130 -0.910 -26.852 -7.618 1.00 6.68 C ATOM 1970 O ILE A 130 0.232 -27.048 -8.040 1.00 6.97 O ATOM 1971 CB ILE A 130 -1.090 -25.509 -5.433 1.00 5.80 C ATOM 1972 CG1 ILE A 130 0.018 -24.531 -5.018 1.00 5.43 C ATOM 1973 CG2 ILE A 130 -0.797 -26.898 -4.857 1.00 6.19 C ATOM 1974 CD1 ILE A 130 -0.404 -23.072 -5.004 1.00 4.53 C ATOM 0 H ILE A 130 -2.619 -24.200 -7.970 1.00 7.54 H new ATOM 0 HA ILE A 130 -0.588 -24.788 -7.435 1.00 6.69 H new ATOM 0 HB ILE A 130 -2.044 -25.188 -5.015 1.00 5.80 H new ATOM 0 HG12 ILE A 130 0.372 -24.803 -4.024 1.00 5.43 H new ATOM 0 HG13 ILE A 130 0.861 -24.646 -5.699 1.00 5.43 H new ATOM 0 HG21 ILE A 130 -0.675 -26.825 -3.776 1.00 6.19 H new ATOM 0 HG22 ILE A 130 -1.626 -27.568 -5.084 1.00 6.19 H new ATOM 0 HG23 ILE A 130 0.118 -27.290 -5.300 1.00 6.19 H new ATOM 0 HD11 ILE A 130 0.439 -22.452 -4.700 1.00 4.53 H new ATOM 0 HD12 ILE A 130 -0.729 -22.778 -6.002 1.00 4.53 H new ATOM 0 HD13 ILE A 130 -1.225 -22.938 -4.300 1.00 4.53 H new ATOM 1986 N ASP A 131 -1.877 -27.758 -7.668 1.00 6.58 N ATOM 1987 CA ASP A 131 -1.686 -29.116 -8.198 1.00 6.68 C ATOM 1988 C ASP A 131 -1.143 -29.125 -9.631 1.00 6.59 C ATOM 1989 O ASP A 131 -1.378 -28.193 -10.406 1.00 6.80 O ATOM 1990 CB ASP A 131 -3.002 -29.902 -8.119 1.00 7.70 C ATOM 1991 CG ASP A 131 -2.787 -31.400 -7.988 1.00 7.98 C ATOM 1992 OD1 ASP A 131 -2.694 -31.888 -6.842 1.00 8.18 O ATOM 1993 OD2 ASP A 131 -2.712 -32.083 -9.031 1.00 8.25 O ATOM 0 H ASP A 131 -2.826 -27.577 -7.341 1.00 6.58 H new ATOM 0 HA ASP A 131 -0.933 -29.599 -7.575 1.00 6.68 H new ATOM 0 HB2 ASP A 131 -3.581 -29.547 -7.267 1.00 7.70 H new ATOM 0 HB3 ASP A 131 -3.594 -29.701 -9.012 1.00 7.70 H new ATOM 1998 N GLY A 132 -0.418 -30.201 -9.951 1.00 6.49 N ATOM 1999 CA GLY A 132 0.192 -30.353 -11.260 1.00 6.52 C ATOM 2000 C GLY A 132 1.681 -30.080 -11.208 1.00 5.87 C ATOM 2001 O GLY A 132 2.485 -30.893 -11.673 1.00 6.01 O ATOM 0 H GLY A 132 -0.243 -30.978 -9.314 1.00 6.49 H new ATOM 0 HA2 GLY A 132 0.018 -31.364 -11.630 1.00 6.52 H new ATOM 0 HA3 GLY A 132 -0.281 -29.670 -11.966 1.00 6.52 H new ATOM 2005 N ASP A 133 2.036 -28.925 -10.637 1.00 5.34 N ATOM 2006 CA ASP A 133 3.425 -28.507 -10.496 1.00 4.95 C ATOM 2007 C ASP A 133 3.772 -28.446 -9.034 1.00 4.57 C ATOM 2008 O ASP A 133 4.909 -28.693 -8.622 1.00 4.65 O ATOM 2009 CB ASP A 133 3.608 -27.106 -11.037 1.00 4.99 C ATOM 2010 CG ASP A 133 4.902 -26.931 -11.807 1.00 5.63 C ATOM 2011 OD1 ASP A 133 4.847 -26.861 -13.052 1.00 6.07 O ATOM 2012 OD2 ASP A 133 5.972 -26.867 -11.164 1.00 5.97 O ATOM 0 H ASP A 133 1.364 -28.256 -10.261 1.00 5.34 H new ATOM 0 HA ASP A 133 4.052 -29.216 -11.036 1.00 4.95 H new ATOM 0 HB2 ASP A 133 2.769 -26.862 -11.688 1.00 4.99 H new ATOM 0 HB3 ASP A 133 3.586 -26.397 -10.209 1.00 4.99 H new ATOM 2017 N GLY A 134 2.739 -28.107 -8.267 1.00 4.47 N ATOM 2018 CA GLY A 134 2.857 -27.949 -6.857 1.00 4.33 C ATOM 2019 C GLY A 134 3.217 -26.526 -6.426 1.00 3.73 C ATOM 2020 O GLY A 134 3.085 -26.181 -5.248 1.00 3.75 O ATOM 0 H GLY A 134 1.800 -27.938 -8.628 1.00 4.47 H new ATOM 0 HA2 GLY A 134 1.915 -28.234 -6.388 1.00 4.33 H new ATOM 0 HA3 GLY A 134 3.618 -28.635 -6.486 1.00 4.33 H new ATOM 2024 N GLN A 135 3.670 -25.711 -7.388 1.00 3.55 N ATOM 2025 CA GLN A 135 4.040 -24.316 -7.153 1.00 3.33 C ATOM 2026 C GLN A 135 2.979 -23.360 -7.739 1.00 3.69 C ATOM 2027 O GLN A 135 1.918 -23.808 -8.186 1.00 4.33 O ATOM 2028 CB GLN A 135 5.429 -24.049 -7.753 1.00 3.82 C ATOM 2029 CG GLN A 135 5.644 -24.550 -9.183 1.00 4.41 C ATOM 2030 CD GLN A 135 7.017 -24.202 -9.721 1.00 5.26 C ATOM 2031 OE1 GLN A 135 7.211 -23.147 -10.324 1.00 5.74 O ATOM 2032 NE2 GLN A 135 7.980 -25.090 -9.505 1.00 5.78 N ATOM 0 H GLN A 135 3.789 -26.007 -8.357 1.00 3.55 H new ATOM 0 HA GLN A 135 4.082 -24.130 -6.080 1.00 3.33 H new ATOM 0 HB2 GLN A 135 5.612 -22.975 -7.733 1.00 3.82 H new ATOM 0 HB3 GLN A 135 6.177 -24.512 -7.110 1.00 3.82 H new ATOM 0 HG2 GLN A 135 5.511 -25.632 -9.209 1.00 4.41 H new ATOM 0 HG3 GLN A 135 4.883 -24.119 -9.833 1.00 4.41 H new ATOM 0 HE21 GLN A 135 7.775 -25.952 -9.000 1.00 5.78 H new ATOM 0 HE22 GLN A 135 8.925 -24.910 -9.844 1.00 5.78 H new ATOM 2041 N VAL A 136 3.274 -22.047 -7.731 1.00 3.59 N ATOM 2042 CA VAL A 136 2.361 -21.030 -8.252 1.00 4.23 C ATOM 2043 C VAL A 136 3.137 -19.833 -8.821 1.00 4.67 C ATOM 2044 O VAL A 136 4.350 -19.906 -9.020 1.00 4.74 O ATOM 2045 CB VAL A 136 1.327 -20.597 -7.150 1.00 4.02 C ATOM 2046 CG1 VAL A 136 1.953 -19.711 -6.071 1.00 3.51 C ATOM 2047 CG2 VAL A 136 0.077 -19.939 -7.743 1.00 5.08 C ATOM 0 H VAL A 136 4.148 -21.670 -7.364 1.00 3.59 H new ATOM 0 HA VAL A 136 1.794 -21.462 -9.077 1.00 4.23 H new ATOM 0 HB VAL A 136 1.010 -21.522 -6.667 1.00 4.02 H new ATOM 0 HG11 VAL A 136 1.194 -19.442 -5.336 1.00 3.51 H new ATOM 0 HG12 VAL A 136 2.760 -20.253 -5.578 1.00 3.51 H new ATOM 0 HG13 VAL A 136 2.351 -18.806 -6.529 1.00 3.51 H new ATOM 0 HG21 VAL A 136 -0.603 -19.660 -6.939 1.00 5.08 H new ATOM 0 HG22 VAL A 136 0.365 -19.048 -8.301 1.00 5.08 H new ATOM 0 HG23 VAL A 136 -0.421 -20.641 -8.412 1.00 5.08 H new ATOM 2057 N ASN A 137 2.406 -18.754 -9.088 1.00 5.28 N ATOM 2058 CA ASN A 137 2.994 -17.530 -9.630 1.00 5.95 C ATOM 2059 C ASN A 137 3.001 -16.413 -8.584 1.00 5.49 C ATOM 2060 O ASN A 137 2.468 -16.555 -7.479 1.00 4.60 O ATOM 2061 CB ASN A 137 2.281 -17.053 -10.911 1.00 7.18 C ATOM 2062 CG ASN A 137 2.207 -18.112 -11.992 1.00 7.90 C ATOM 2063 OD1 ASN A 137 1.239 -19.014 -11.874 1.00 8.11 O flip ATOM 2064 ND2 ASN A 137 3.014 -18.119 -12.921 1.00 8.51 N flip ATOM 0 H ASN A 137 1.399 -18.702 -8.937 1.00 5.28 H new ATOM 0 HA ASN A 137 4.023 -17.772 -9.897 1.00 5.95 H new ATOM 0 HB2 ASN A 137 1.270 -16.733 -10.657 1.00 7.18 H new ATOM 0 HB3 ASN A 137 2.802 -16.180 -11.304 1.00 7.18 H new ATOM 0 HD21 ASN A 137 3.741 -17.405 -12.970 1.00 8.51 H new ATOM 0 HD22 ASN A 137 2.956 -18.838 -13.642 1.00 8.51 H new ATOM 2071 N TYR A 138 3.609 -15.306 -8.981 1.00 6.22 N ATOM 2072 CA TYR A 138 3.799 -14.104 -8.166 1.00 6.03 C ATOM 2073 C TYR A 138 2.603 -13.151 -8.273 1.00 6.55 C ATOM 2074 O TYR A 138 2.188 -12.537 -7.286 1.00 6.13 O ATOM 2075 CB TYR A 138 5.081 -13.390 -8.651 1.00 6.78 C ATOM 2076 CG TYR A 138 5.243 -13.491 -10.155 1.00 7.93 C ATOM 2077 CD1 TYR A 138 5.219 -12.373 -10.969 1.00 8.62 C ATOM 2078 CD2 TYR A 138 5.341 -14.738 -10.755 1.00 8.50 C ATOM 2079 CE1 TYR A 138 5.288 -12.502 -12.340 1.00 9.65 C ATOM 2080 CE2 TYR A 138 5.412 -14.878 -12.097 1.00 9.54 C ATOM 2081 CZ TYR A 138 5.382 -13.761 -12.905 1.00 10.06 C ATOM 2082 OH TYR A 138 5.452 -13.898 -14.273 1.00 11.13 O ATOM 0 H TYR A 138 4.002 -15.211 -9.918 1.00 6.22 H new ATOM 0 HA TYR A 138 3.888 -14.397 -7.120 1.00 6.03 H new ATOM 0 HB2 TYR A 138 5.046 -12.341 -8.358 1.00 6.78 H new ATOM 0 HB3 TYR A 138 5.950 -13.829 -8.161 1.00 6.78 H new ATOM 0 HD1 TYR A 138 5.146 -11.390 -10.527 1.00 8.62 H new ATOM 0 HD2 TYR A 138 5.361 -15.620 -10.133 1.00 8.50 H new ATOM 0 HE1 TYR A 138 5.269 -11.625 -12.969 1.00 9.65 H new ATOM 0 HE2 TYR A 138 5.492 -15.862 -12.535 1.00 9.54 H new ATOM 0 HH TYR A 138 5.515 -14.848 -14.504 1.00 11.13 H new ATOM 2092 N GLU A 139 2.068 -13.051 -9.497 1.00 7.59 N ATOM 2093 CA GLU A 139 0.934 -12.175 -9.821 1.00 8.39 C ATOM 2094 C GLU A 139 -0.408 -12.789 -9.434 1.00 8.26 C ATOM 2095 O GLU A 139 -1.401 -12.078 -9.281 1.00 8.61 O ATOM 2096 CB GLU A 139 0.919 -11.909 -11.321 1.00 9.64 C ATOM 2097 CG GLU A 139 2.048 -11.011 -11.810 1.00 10.21 C ATOM 2098 CD GLU A 139 1.994 -10.769 -13.306 1.00 11.39 C ATOM 2099 OE1 GLU A 139 2.603 -11.560 -14.058 1.00 11.90 O ATOM 2100 OE2 GLU A 139 1.343 -9.790 -13.726 1.00 11.94 O ATOM 0 H GLU A 139 2.413 -13.581 -10.297 1.00 7.59 H new ATOM 0 HA GLU A 139 1.065 -11.255 -9.251 1.00 8.39 H new ATOM 0 HB2 GLU A 139 0.974 -12.862 -11.848 1.00 9.64 H new ATOM 0 HB3 GLU A 139 -0.034 -11.452 -11.588 1.00 9.64 H new ATOM 0 HG2 GLU A 139 1.998 -10.055 -11.289 1.00 10.21 H new ATOM 0 HG3 GLU A 139 3.005 -11.465 -11.553 1.00 10.21 H new ATOM 2107 N GLU A 140 -0.435 -14.112 -9.327 1.00 7.94 N ATOM 2108 CA GLU A 140 -1.658 -14.836 -8.977 1.00 8.10 C ATOM 2109 C GLU A 140 -1.831 -15.055 -7.469 1.00 7.13 C ATOM 2110 O GLU A 140 -2.954 -14.957 -6.970 1.00 7.54 O ATOM 2111 CB GLU A 140 -1.703 -16.187 -9.697 1.00 8.42 C ATOM 2112 CG GLU A 140 -2.018 -16.081 -11.182 1.00 9.47 C ATOM 2113 CD GLU A 140 -2.140 -17.436 -11.852 1.00 9.95 C ATOM 2114 OE1 GLU A 140 -3.194 -18.086 -11.689 1.00 10.29 O ATOM 2115 OE2 GLU A 140 -1.183 -17.845 -12.542 1.00 10.17 O ATOM 0 H GLU A 140 0.378 -14.710 -9.478 1.00 7.94 H new ATOM 0 HA GLU A 140 -2.484 -14.204 -9.304 1.00 8.10 H new ATOM 0 HB2 GLU A 140 -0.742 -16.686 -9.574 1.00 8.42 H new ATOM 0 HB3 GLU A 140 -2.453 -16.818 -9.220 1.00 8.42 H new ATOM 0 HG2 GLU A 140 -2.949 -15.530 -11.313 1.00 9.47 H new ATOM 0 HG3 GLU A 140 -1.235 -15.505 -11.675 1.00 9.47 H new ATOM 2122 N PHE A 141 -0.739 -15.356 -6.744 1.00 5.98 N ATOM 2123 CA PHE A 141 -0.837 -15.634 -5.310 1.00 5.06 C ATOM 2124 C PHE A 141 -0.785 -14.411 -4.391 1.00 4.76 C ATOM 2125 O PHE A 141 -1.769 -14.118 -3.706 1.00 5.06 O ATOM 2126 CB PHE A 141 0.188 -16.688 -4.884 1.00 3.97 C ATOM 2127 CG PHE A 141 -0.394 -17.655 -3.911 1.00 3.73 C ATOM 2128 CD1 PHE A 141 -0.447 -17.337 -2.570 1.00 3.83 C ATOM 2129 CD2 PHE A 141 -0.929 -18.854 -4.347 1.00 4.10 C ATOM 2130 CE1 PHE A 141 -1.027 -18.198 -1.672 1.00 4.24 C ATOM 2131 CE2 PHE A 141 -1.501 -19.737 -3.449 1.00 4.47 C ATOM 2132 CZ PHE A 141 -1.547 -19.396 -2.112 1.00 4.52 C ATOM 0 H PHE A 141 0.206 -15.411 -7.125 1.00 5.98 H new ATOM 0 HA PHE A 141 -1.845 -16.027 -5.178 1.00 5.06 H new ATOM 0 HB2 PHE A 141 0.545 -17.225 -5.763 1.00 3.97 H new ATOM 0 HB3 PHE A 141 1.052 -16.197 -4.437 1.00 3.97 H new ATOM 0 HD1 PHE A 141 -0.029 -16.403 -2.224 1.00 3.83 H new ATOM 0 HD2 PHE A 141 -0.900 -19.103 -5.398 1.00 4.10 H new ATOM 0 HE1 PHE A 141 -1.076 -17.938 -0.625 1.00 4.24 H new ATOM 0 HE2 PHE A 141 -1.906 -20.679 -3.789 1.00 4.47 H new ATOM 0 HZ PHE A 141 -1.996 -20.076 -1.403 1.00 4.52 H new ATOM 2142 N VAL A 142 0.349 -13.713 -4.371 1.00 4.40 N ATOM 2143 CA VAL A 142 0.530 -12.512 -3.506 1.00 4.15 C ATOM 2144 C VAL A 142 -0.494 -11.460 -3.866 1.00 5.25 C ATOM 2145 O VAL A 142 -1.093 -10.827 -2.996 1.00 5.25 O ATOM 2146 CB VAL A 142 1.931 -11.848 -3.613 1.00 4.09 C ATOM 2147 CG1 VAL A 142 2.329 -11.207 -2.293 1.00 3.37 C ATOM 2148 CG2 VAL A 142 2.986 -12.831 -4.062 1.00 3.96 C ATOM 0 H VAL A 142 1.165 -13.945 -4.937 1.00 4.40 H new ATOM 0 HA VAL A 142 0.412 -12.877 -2.486 1.00 4.15 H new ATOM 0 HB VAL A 142 1.861 -11.069 -4.372 1.00 4.09 H new ATOM 0 HG11 VAL A 142 3.313 -10.749 -2.393 1.00 3.37 H new ATOM 0 HG12 VAL A 142 1.599 -10.443 -2.025 1.00 3.37 H new ATOM 0 HG13 VAL A 142 2.361 -11.968 -1.514 1.00 3.37 H new ATOM 0 HG21 VAL A 142 3.950 -12.327 -4.124 1.00 3.96 H new ATOM 0 HG22 VAL A 142 3.050 -13.649 -3.345 1.00 3.96 H new ATOM 0 HG23 VAL A 142 2.720 -13.228 -5.042 1.00 3.96 H new ATOM 2158 N GLN A 143 -0.673 -11.270 -5.165 1.00 6.26 N ATOM 2159 CA GLN A 143 -1.666 -10.310 -5.654 1.00 7.42 C ATOM 2160 C GLN A 143 -3.081 -10.688 -5.207 1.00 7.74 C ATOM 2161 O GLN A 143 -3.947 -9.815 -5.088 1.00 8.48 O ATOM 2162 CB GLN A 143 -1.604 -10.148 -7.171 1.00 8.47 C ATOM 2163 CG GLN A 143 -0.478 -9.240 -7.642 1.00 9.24 C ATOM 2164 CD GLN A 143 -0.673 -8.761 -9.067 1.00 10.23 C ATOM 2165 OE1 GLN A 143 -0.219 -9.396 -10.017 1.00 10.70 O ATOM 2166 NE2 GLN A 143 -1.353 -7.631 -9.222 1.00 10.74 N ATOM 0 H GLN A 143 -0.154 -11.758 -5.895 1.00 6.26 H new ATOM 0 HA GLN A 143 -1.417 -9.347 -5.209 1.00 7.42 H new ATOM 0 HB2 GLN A 143 -1.483 -11.130 -7.628 1.00 8.47 H new ATOM 0 HB3 GLN A 143 -2.554 -9.747 -7.524 1.00 8.47 H new ATOM 0 HG2 GLN A 143 -0.410 -8.378 -6.979 1.00 9.24 H new ATOM 0 HG3 GLN A 143 0.469 -9.774 -7.569 1.00 9.24 H new ATOM 0 HE21 GLN A 143 -1.712 -7.136 -8.406 1.00 10.74 H new ATOM 0 HE22 GLN A 143 -1.516 -7.258 -10.157 1.00 10.74 H new ATOM 2175 N MET A 144 -3.310 -11.990 -4.959 1.00 7.32 N ATOM 2176 CA MET A 144 -4.607 -12.456 -4.482 1.00 7.88 C ATOM 2177 C MET A 144 -4.697 -12.415 -2.967 1.00 7.37 C ATOM 2178 O MET A 144 -5.743 -12.698 -2.371 1.00 8.01 O ATOM 2179 CB MET A 144 -4.948 -13.845 -5.021 1.00 8.04 C ATOM 2180 CG MET A 144 -6.377 -13.967 -5.530 1.00 9.33 C ATOM 2181 SD MET A 144 -7.006 -15.656 -5.446 1.00 9.76 S ATOM 2182 CE MET A 144 -7.600 -15.715 -3.756 1.00 9.64 C ATOM 0 H MET A 144 -2.615 -12.726 -5.082 1.00 7.32 H new ATOM 0 HA MET A 144 -5.353 -11.765 -4.873 1.00 7.88 H new ATOM 0 HB2 MET A 144 -4.261 -14.090 -5.831 1.00 8.04 H new ATOM 0 HB3 MET A 144 -4.788 -14.581 -4.233 1.00 8.04 H new ATOM 0 HG2 MET A 144 -7.024 -13.314 -4.944 1.00 9.33 H new ATOM 0 HG3 MET A 144 -6.422 -13.618 -6.562 1.00 9.33 H new ATOM 0 HE1 MET A 144 -7.453 -16.717 -3.353 1.00 9.64 H new ATOM 0 HE2 MET A 144 -7.048 -14.996 -3.151 1.00 9.64 H new ATOM 0 HE3 MET A 144 -8.661 -15.468 -3.735 1.00 9.64 H new ATOM 2192 N MET A 145 -3.582 -12.048 -2.377 1.00 6.37 N ATOM 2193 CA MET A 145 -3.469 -11.895 -0.926 1.00 5.88 C ATOM 2194 C MET A 145 -3.663 -10.416 -0.587 1.00 6.25 C ATOM 2195 O MET A 145 -3.927 -10.047 0.561 1.00 6.33 O ATOM 2196 CB MET A 145 -2.141 -12.479 -0.380 1.00 4.66 C ATOM 2197 CG MET A 145 -0.987 -11.495 -0.267 1.00 3.68 C ATOM 2198 SD MET A 145 -1.034 -10.526 1.253 1.00 3.52 S ATOM 2199 CE MET A 145 -0.237 -9.017 0.709 1.00 3.45 C ATOM 0 H MET A 145 -2.720 -11.844 -2.883 1.00 6.37 H new ATOM 0 HA MET A 145 -4.247 -12.474 -0.428 1.00 5.88 H new ATOM 0 HB2 MET A 145 -2.330 -12.904 0.606 1.00 4.66 H new ATOM 0 HB3 MET A 145 -1.833 -13.300 -1.027 1.00 4.66 H new ATOM 0 HG2 MET A 145 -0.045 -12.041 -0.314 1.00 3.68 H new ATOM 0 HG3 MET A 145 -1.007 -10.820 -1.123 1.00 3.68 H new ATOM 0 HE1 MET A 145 0.298 -8.566 1.545 1.00 3.45 H new ATOM 0 HE2 MET A 145 0.467 -9.245 -0.092 1.00 3.45 H new ATOM 0 HE3 MET A 145 -0.990 -8.320 0.342 1.00 3.45 H new ATOM 2209 N THR A 146 -3.518 -9.592 -1.633 1.00 6.65 N ATOM 2210 CA THR A 146 -3.709 -8.154 -1.553 1.00 7.20 C ATOM 2211 C THR A 146 -5.164 -7.826 -1.923 1.00 8.45 C ATOM 2212 O THR A 146 -5.693 -6.785 -1.522 1.00 8.99 O ATOM 2213 CB THR A 146 -2.742 -7.405 -2.505 1.00 7.31 C ATOM 2214 OG1 THR A 146 -1.459 -8.045 -2.508 1.00 6.44 O ATOM 2215 CG2 THR A 146 -2.567 -5.945 -2.093 1.00 7.72 C ATOM 0 H THR A 146 -3.262 -9.917 -2.565 1.00 6.65 H new ATOM 0 HA THR A 146 -3.495 -7.826 -0.536 1.00 7.20 H new ATOM 0 HB THR A 146 -3.178 -7.435 -3.503 1.00 7.31 H new ATOM 0 HG1 THR A 146 -1.550 -8.959 -2.850 1.00 6.44 H new ATOM 0 HG21 THR A 146 -1.883 -5.452 -2.783 1.00 7.72 H new ATOM 0 HG22 THR A 146 -3.533 -5.441 -2.118 1.00 7.72 H new ATOM 0 HG23 THR A 146 -2.160 -5.898 -1.083 1.00 7.72 H new ATOM 2223 N ALA A 147 -5.798 -8.736 -2.697 1.00 8.92 N ATOM 2224 CA ALA A 147 -7.193 -8.578 -3.113 1.00 10.15 C ATOM 2225 C ALA A 147 -8.157 -9.113 -2.049 1.00 10.43 C ATOM 2226 O ALA A 147 -9.249 -8.568 -1.868 1.00 11.37 O ATOM 2227 CB ALA A 147 -7.426 -9.284 -4.440 1.00 10.68 C ATOM 0 H ALA A 147 -5.356 -9.588 -3.043 1.00 8.92 H new ATOM 0 HA ALA A 147 -7.390 -7.513 -3.236 1.00 10.15 H new ATOM 0 HB1 ALA A 147 -8.467 -9.160 -4.740 1.00 10.68 H new ATOM 0 HB2 ALA A 147 -6.775 -8.853 -5.201 1.00 10.68 H new ATOM 0 HB3 ALA A 147 -7.204 -10.346 -4.331 1.00 10.68 H new ATOM 2233 N LYS A 148 -7.739 -10.181 -1.350 1.00 9.72 N ATOM 2234 CA LYS A 148 -8.545 -10.790 -0.305 1.00 10.13 C ATOM 2235 C LYS A 148 -7.859 -10.665 1.055 1.00 9.70 C ATOM 2236 O LYS A 148 -8.443 -10.021 1.951 1.00 9.60 O ATOM 2237 CB LYS A 148 -8.836 -12.266 -0.626 1.00 10.60 C ATOM 2238 CG LYS A 148 -9.897 -12.480 -1.704 1.00 11.38 C ATOM 2239 CD LYS A 148 -9.306 -12.418 -3.107 1.00 11.36 C ATOM 2240 CE LYS A 148 -10.355 -12.712 -4.167 1.00 12.34 C ATOM 2241 NZ LYS A 148 -9.783 -12.668 -5.541 1.00 12.59 N ATOM 2242 OXT LYS A 148 -6.740 -11.202 1.210 1.00 9.69 O ATOM 0 H LYS A 148 -6.838 -10.636 -1.499 1.00 9.72 H new ATOM 0 HA LYS A 148 -9.494 -10.255 -0.261 1.00 10.13 H new ATOM 0 HB2 LYS A 148 -7.910 -12.745 -0.944 1.00 10.60 H new ATOM 0 HB3 LYS A 148 -9.157 -12.767 0.287 1.00 10.60 H new ATOM 0 HG2 LYS A 148 -10.375 -13.448 -1.555 1.00 11.38 H new ATOM 0 HG3 LYS A 148 -10.674 -11.722 -1.604 1.00 11.38 H new ATOM 0 HD2 LYS A 148 -8.880 -11.430 -3.280 1.00 11.36 H new ATOM 0 HD3 LYS A 148 -8.491 -13.136 -3.192 1.00 11.36 H new ATOM 0 HE2 LYS A 148 -10.789 -13.695 -3.986 1.00 12.34 H new ATOM 0 HE3 LYS A 148 -11.165 -11.987 -4.087 1.00 12.34 H new ATOM 0 HZ1 LYS A 148 -10.543 -12.806 -6.238 1.00 12.59 H new ATOM 0 HZ2 LYS A 148 -9.332 -11.745 -5.700 1.00 12.59 H new ATOM 0 HZ3 LYS A 148 -9.075 -13.422 -5.647 1.00 12.59 H new TER 2256 LYS A 148