USER MOD reduce.3.24.130724 H: found=0, std=0, add=1097, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1096 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 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= 0 X(o=-0.64,f=-1.1) USER MOD Set 1.3: A 72 MET CE :methyl 169:sc= -0.64 (180deg=-0.77) USER MOD Set 1.4: A 75 LYS NZ :NH3+ -164:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.0947 USER MOD Single : A 8 GLN : amide:sc= 0.0374 K(o=0.037,f=-2.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc=-0.000158 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -160:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00688 USER MOD Single : A 30 LYS NZ :NH3+ -153:sc= -0.11 (180deg=-0.757) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00652 USER MOD Single : A 38 SER OG : rot -93:sc= 1.09 USER MOD Single : A 42 ASN : amide:sc= -0.35 K(o=-0.35,f=-3.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 60 ASN : amide:sc= -2.9 K(o=-2.9,f=-10!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -155:sc= -0.0037 (180deg=-1.18) USER MOD Single : A 76 MET CE :methyl -155:sc= -0.54 (180deg=-0.708) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= -0.0145 (180deg=-0.26) USER MOD Single : A 79 THR OG1 : rot -62:sc= 1.16 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.629 (180deg=-1.3) USER MOD Single : A 97 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1.5) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -74:sc= 0.0468 USER MOD Single : A 107 HIS : no HD1:sc= -0.026 X(o=-0.026,f=-0.15) USER MOD Single : A 109 MET CE :methyl -168:sc= -2.78 (180deg=-3.54!) USER MOD Single : A 110 THR OG1 : rot -47:sc= -0.791! USER MOD Single : A 111 ASN : amide:sc= 0.352 X(o=0.35,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -178:sc=-0.00247 (180deg=-0.0116) USER MOD Single : A 135 GLN : amide:sc= -0.0884 K(o=-0.088,f=-0.93) USER MOD Single : A 137 ASN : amide:sc= -1.14! C(o=-1.1!,f=-13!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.475 USER MOD Single : A 143 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.3) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -148:sc= -0.24 (180deg=-2.38!) USER MOD Single : A 146 THR OG1 : rot 91:sc= 0.165 USER MOD Single : A 148 LYS NZ :NH3+ 153:sc= -0.111 (180deg=-0.706) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.667 13.498 -8.449 1.00 2.43 N ATOM 2 CA ALA A 1 14.616 13.006 -9.386 1.00 1.72 C ATOM 3 C ALA A 1 13.375 12.600 -8.590 1.00 1.02 C ATOM 4 O ALA A 1 13.464 11.901 -7.600 1.00 1.25 O ATOM 5 CB ALA A 1 15.146 11.796 -10.156 1.00 2.10 C ATOM 0 H1 ALA A 1 16.512 13.775 -8.989 1.00 2.43 H new ATOM 0 H2 ALA A 1 15.307 14.321 -7.924 1.00 2.43 H new ATOM 0 H3 ALA A 1 15.916 12.742 -7.779 1.00 2.43 H new ATOM 0 HA ALA A 1 14.355 13.798 -10.088 1.00 1.72 H new ATOM 0 HB1 ALA A 1 14.378 11.436 -10.841 1.00 2.10 H new ATOM 0 HB2 ALA A 1 16.031 12.085 -10.722 1.00 2.10 H new ATOM 0 HB3 ALA A 1 15.407 11.004 -9.454 1.00 2.10 H new ATOM 13 N ASP A 2 12.220 13.034 -9.013 1.00 0.67 N ATOM 14 CA ASP A 2 10.975 12.672 -8.279 1.00 0.68 C ATOM 15 C ASP A 2 10.550 11.266 -8.671 1.00 0.67 C ATOM 16 O ASP A 2 9.415 10.866 -8.504 1.00 1.14 O ATOM 17 CB ASP A 2 9.870 13.653 -8.647 1.00 1.01 C ATOM 18 CG ASP A 2 10.257 15.056 -8.178 1.00 1.97 C ATOM 19 OD1 ASP A 2 11.301 15.532 -8.597 1.00 2.85 O ATOM 20 OD2 ASP A 2 9.508 15.630 -7.407 1.00 2.32 O ATOM 0 H ASP A 2 12.084 13.623 -9.835 1.00 0.67 H new ATOM 0 HA ASP A 2 11.159 12.713 -7.205 1.00 0.68 H new ATOM 0 HB2 ASP A 2 9.710 13.650 -9.725 1.00 1.01 H new ATOM 0 HB3 ASP A 2 8.931 13.350 -8.185 1.00 1.01 H new ATOM 25 N GLN A 3 11.472 10.520 -9.184 1.00 0.42 N ATOM 26 CA GLN A 3 11.174 9.106 -9.604 1.00 0.29 C ATOM 27 C GLN A 3 11.583 8.145 -8.493 1.00 0.26 C ATOM 28 O GLN A 3 12.516 8.387 -7.752 1.00 0.30 O ATOM 29 CB GLN A 3 11.930 8.739 -10.895 1.00 0.26 C ATOM 30 CG GLN A 3 11.452 9.641 -12.027 1.00 0.36 C ATOM 31 CD GLN A 3 12.097 9.201 -13.342 1.00 0.36 C ATOM 32 OE1 GLN A 3 13.204 8.701 -13.353 1.00 0.68 O ATOM 33 NE2 GLN A 3 11.446 9.368 -14.463 1.00 1.52 N ATOM 0 H GLN A 3 12.435 10.819 -9.338 1.00 0.42 H new ATOM 0 HA GLN A 3 10.104 9.026 -9.794 1.00 0.29 H new ATOM 0 HB2 GLN A 3 13.004 8.857 -10.748 1.00 0.26 H new ATOM 0 HB3 GLN A 3 11.756 7.693 -11.148 1.00 0.26 H new ATOM 0 HG2 GLN A 3 10.366 9.594 -12.109 1.00 0.36 H new ATOM 0 HG3 GLN A 3 11.710 10.678 -11.813 1.00 0.36 H new ATOM 0 HE21 GLN A 3 10.516 9.788 -14.455 1.00 1.52 H new ATOM 0 HE22 GLN A 3 11.868 9.079 -15.346 1.00 1.52 H new ATOM 42 N LEU A 4 10.884 7.053 -8.372 1.00 0.21 N ATOM 43 CA LEU A 4 11.219 6.064 -7.307 1.00 0.19 C ATOM 44 C LEU A 4 12.522 5.346 -7.666 1.00 0.19 C ATOM 45 O LEU A 4 12.688 4.851 -8.762 1.00 0.24 O ATOM 46 CB LEU A 4 10.097 5.029 -7.194 1.00 0.19 C ATOM 47 CG LEU A 4 8.768 5.725 -6.868 1.00 0.18 C ATOM 48 CD1 LEU A 4 7.607 4.784 -7.194 1.00 0.18 C ATOM 49 CD2 LEU A 4 8.712 6.091 -5.380 1.00 0.21 C ATOM 0 H LEU A 4 10.093 6.800 -8.965 1.00 0.21 H new ATOM 0 HA LEU A 4 11.334 6.587 -6.358 1.00 0.19 H new ATOM 0 HB2 LEU A 4 10.007 4.475 -8.129 1.00 0.19 H new ATOM 0 HB3 LEU A 4 10.337 4.304 -6.416 1.00 0.19 H new ATOM 0 HG LEU A 4 8.691 6.634 -7.465 1.00 0.18 H new ATOM 0 HD11 LEU A 4 6.663 5.277 -6.963 1.00 0.18 H new ATOM 0 HD12 LEU A 4 7.633 4.528 -8.253 1.00 0.18 H new ATOM 0 HD13 LEU A 4 7.697 3.875 -6.599 1.00 0.18 H new ATOM 0 HD21 LEU A 4 7.765 6.584 -5.162 1.00 0.21 H new ATOM 0 HD22 LEU A 4 8.797 5.186 -4.779 1.00 0.21 H new ATOM 0 HD23 LEU A 4 9.535 6.764 -5.140 1.00 0.21 H new ATOM 61 N THR A 5 13.443 5.278 -6.745 1.00 0.13 N ATOM 62 CA THR A 5 14.729 4.582 -7.032 1.00 0.12 C ATOM 63 C THR A 5 14.501 3.070 -6.986 1.00 0.12 C ATOM 64 O THR A 5 13.569 2.593 -6.365 1.00 0.11 O ATOM 65 CB THR A 5 15.770 4.975 -5.980 1.00 0.12 C ATOM 66 OG1 THR A 5 15.238 4.747 -4.683 1.00 0.17 O ATOM 67 CG2 THR A 5 16.122 6.455 -6.137 1.00 0.13 C ATOM 0 H THR A 5 13.361 5.673 -5.808 1.00 0.13 H new ATOM 0 HA THR A 5 15.090 4.869 -8.020 1.00 0.12 H new ATOM 0 HB THR A 5 16.669 4.374 -6.115 1.00 0.12 H new ATOM 0 HG1 THR A 5 15.903 4.996 -4.008 1.00 0.17 H new ATOM 0 HG21 THR A 5 16.863 6.734 -5.388 1.00 0.13 H new ATOM 0 HG22 THR A 5 16.530 6.628 -7.133 1.00 0.13 H new ATOM 0 HG23 THR A 5 15.225 7.059 -6.002 1.00 0.13 H new ATOM 75 N GLU A 6 15.338 2.308 -7.635 1.00 0.14 N ATOM 76 CA GLU A 6 15.158 0.829 -7.624 1.00 0.17 C ATOM 77 C GLU A 6 15.076 0.333 -6.179 1.00 0.16 C ATOM 78 O GLU A 6 14.357 -0.597 -5.872 1.00 0.21 O ATOM 79 CB GLU A 6 16.343 0.165 -8.328 1.00 0.17 C ATOM 80 CG GLU A 6 16.250 0.413 -9.833 1.00 0.76 C ATOM 81 CD GLU A 6 17.402 -0.299 -10.542 1.00 0.81 C ATOM 82 OE1 GLU A 6 18.541 -0.028 -10.197 1.00 0.93 O ATOM 83 OE2 GLU A 6 17.128 -1.104 -11.417 1.00 1.74 O ATOM 0 H GLU A 6 16.137 2.645 -8.172 1.00 0.14 H new ATOM 0 HA GLU A 6 14.236 0.572 -8.146 1.00 0.17 H new ATOM 0 HB2 GLU A 6 17.280 0.565 -7.941 1.00 0.17 H new ATOM 0 HB3 GLU A 6 16.346 -0.906 -8.125 1.00 0.17 H new ATOM 0 HG2 GLU A 6 15.295 0.050 -10.213 1.00 0.76 H new ATOM 0 HG3 GLU A 6 16.289 1.483 -10.039 1.00 0.76 H new ATOM 90 N GLU A 7 15.808 0.946 -5.292 1.00 0.14 N ATOM 91 CA GLU A 7 15.771 0.508 -3.868 1.00 0.16 C ATOM 92 C GLU A 7 14.394 0.809 -3.275 1.00 0.18 C ATOM 93 O GLU A 7 13.736 -0.061 -2.742 1.00 0.30 O ATOM 94 CB GLU A 7 16.841 1.260 -3.074 1.00 0.13 C ATOM 95 CG GLU A 7 18.213 1.020 -3.709 1.00 0.15 C ATOM 96 CD GLU A 7 19.307 1.522 -2.763 1.00 0.56 C ATOM 97 OE1 GLU A 7 19.385 2.723 -2.562 1.00 1.73 O ATOM 98 OE2 GLU A 7 20.050 0.697 -2.260 1.00 1.03 O ATOM 0 H GLU A 7 16.430 1.730 -5.490 1.00 0.14 H new ATOM 0 HA GLU A 7 15.963 -0.564 -3.815 1.00 0.16 H new ATOM 0 HB2 GLU A 7 16.616 2.327 -3.061 1.00 0.13 H new ATOM 0 HB3 GLU A 7 16.844 0.922 -2.038 1.00 0.13 H new ATOM 0 HG2 GLU A 7 18.351 -0.042 -3.911 1.00 0.15 H new ATOM 0 HG3 GLU A 7 18.279 1.538 -4.666 1.00 0.15 H new ATOM 105 N GLN A 8 13.950 2.034 -3.362 1.00 0.07 N ATOM 106 CA GLN A 8 12.615 2.381 -2.801 1.00 0.09 C ATOM 107 C GLN A 8 11.572 1.384 -3.313 1.00 0.10 C ATOM 108 O GLN A 8 10.680 0.983 -2.592 1.00 0.10 O ATOM 109 CB GLN A 8 12.226 3.801 -3.225 1.00 0.09 C ATOM 110 CG GLN A 8 12.999 4.819 -2.385 1.00 0.07 C ATOM 111 CD GLN A 8 12.572 6.234 -2.778 1.00 0.29 C ATOM 112 OE1 GLN A 8 12.328 6.505 -3.938 1.00 0.17 O ATOM 113 NE2 GLN A 8 12.474 7.153 -1.858 1.00 0.65 N ATOM 0 H GLN A 8 14.454 2.807 -3.797 1.00 0.07 H new ATOM 0 HA GLN A 8 12.658 2.334 -1.713 1.00 0.09 H new ATOM 0 HB2 GLN A 8 12.444 3.948 -4.283 1.00 0.09 H new ATOM 0 HB3 GLN A 8 11.154 3.948 -3.097 1.00 0.09 H new ATOM 0 HG2 GLN A 8 12.808 4.651 -1.325 1.00 0.07 H new ATOM 0 HG3 GLN A 8 14.071 4.695 -2.540 1.00 0.07 H new ATOM 0 HE21 GLN A 8 12.679 6.925 -0.885 1.00 0.65 H new ATOM 0 HE22 GLN A 8 12.192 8.100 -2.111 1.00 0.65 H new ATOM 122 N ILE A 9 11.675 0.975 -4.549 1.00 0.10 N ATOM 123 CA ILE A 9 10.685 0.002 -5.087 1.00 0.10 C ATOM 124 C ILE A 9 10.865 -1.336 -4.373 1.00 0.07 C ATOM 125 O ILE A 9 9.913 -2.042 -4.107 1.00 0.07 O ATOM 126 CB ILE A 9 10.904 -0.180 -6.592 1.00 0.12 C ATOM 127 CG1 ILE A 9 10.540 1.120 -7.315 1.00 0.15 C ATOM 128 CG2 ILE A 9 10.011 -1.316 -7.106 1.00 0.14 C ATOM 129 CD1 ILE A 9 10.968 1.028 -8.781 1.00 0.17 C ATOM 0 H ILE A 9 12.398 1.271 -5.205 1.00 0.10 H new ATOM 0 HA ILE A 9 9.674 0.375 -4.919 1.00 0.10 H new ATOM 0 HB ILE A 9 11.949 -0.426 -6.782 1.00 0.12 H new ATOM 0 HG12 ILE A 9 9.466 1.296 -7.249 1.00 0.15 H new ATOM 0 HG13 ILE A 9 11.032 1.966 -6.834 1.00 0.15 H new ATOM 0 HG21 ILE A 9 10.167 -1.445 -8.177 1.00 0.14 H new ATOM 0 HG22 ILE A 9 10.265 -2.241 -6.588 1.00 0.14 H new ATOM 0 HG23 ILE A 9 8.966 -1.070 -6.919 1.00 0.14 H new ATOM 0 HD11 ILE A 9 10.708 1.954 -9.295 1.00 0.17 H new ATOM 0 HD12 ILE A 9 12.045 0.872 -8.836 1.00 0.17 H new ATOM 0 HD13 ILE A 9 10.456 0.193 -9.258 1.00 0.17 H new ATOM 141 N ALA A 10 12.080 -1.691 -4.058 1.00 0.05 N ATOM 142 CA ALA A 10 12.312 -2.982 -3.357 1.00 0.05 C ATOM 143 C ALA A 10 11.830 -2.859 -1.907 1.00 0.06 C ATOM 144 O ALA A 10 11.141 -3.723 -1.405 1.00 0.22 O ATOM 145 CB ALA A 10 13.811 -3.332 -3.402 1.00 0.08 C ATOM 0 H ALA A 10 12.918 -1.144 -4.255 1.00 0.05 H new ATOM 0 HA ALA A 10 11.756 -3.779 -3.850 1.00 0.05 H new ATOM 0 HB1 ALA A 10 13.979 -4.278 -2.888 1.00 0.08 H new ATOM 0 HB2 ALA A 10 14.133 -3.421 -4.440 1.00 0.08 H new ATOM 0 HB3 ALA A 10 14.383 -2.545 -2.910 1.00 0.08 H new ATOM 151 N GLU A 11 12.174 -1.793 -1.233 1.00 0.08 N ATOM 152 CA GLU A 11 11.733 -1.622 0.178 1.00 0.09 C ATOM 153 C GLU A 11 10.221 -1.842 0.268 1.00 0.11 C ATOM 154 O GLU A 11 9.734 -2.532 1.142 1.00 0.17 O ATOM 155 CB GLU A 11 12.093 -0.185 0.637 1.00 0.12 C ATOM 156 CG GLU A 11 12.957 -0.222 1.897 1.00 0.76 C ATOM 157 CD GLU A 11 12.205 -0.947 3.015 1.00 1.95 C ATOM 158 OE1 GLU A 11 11.413 -0.304 3.682 1.00 2.09 O ATOM 159 OE2 GLU A 11 12.436 -2.132 3.184 1.00 3.47 O ATOM 0 H GLU A 11 12.744 -1.032 -1.603 1.00 0.08 H new ATOM 0 HA GLU A 11 12.231 -2.347 0.822 1.00 0.09 H new ATOM 0 HB2 GLU A 11 12.625 0.334 -0.160 1.00 0.12 H new ATOM 0 HB3 GLU A 11 11.181 0.379 0.832 1.00 0.12 H new ATOM 0 HG2 GLU A 11 13.899 -0.730 1.689 1.00 0.76 H new ATOM 0 HG3 GLU A 11 13.205 0.792 2.210 1.00 0.76 H new ATOM 166 N PHE A 12 9.480 -1.254 -0.622 1.00 0.08 N ATOM 167 CA PHE A 12 8.005 -1.424 -0.578 1.00 0.09 C ATOM 168 C PHE A 12 7.650 -2.842 -1.018 1.00 0.09 C ATOM 169 O PHE A 12 6.621 -3.370 -0.652 1.00 0.18 O ATOM 170 CB PHE A 12 7.341 -0.411 -1.514 1.00 0.14 C ATOM 171 CG PHE A 12 7.919 0.989 -1.337 1.00 0.21 C ATOM 172 CD1 PHE A 12 8.542 1.399 -0.134 1.00 0.51 C ATOM 173 CD2 PHE A 12 7.814 1.897 -2.400 1.00 0.29 C ATOM 174 CE1 PHE A 12 9.043 2.702 -0.018 1.00 0.60 C ATOM 175 CE2 PHE A 12 8.320 3.191 -2.276 1.00 0.32 C ATOM 176 CZ PHE A 12 8.932 3.597 -1.088 1.00 0.41 C ATOM 0 H PHE A 12 9.830 -0.664 -1.377 1.00 0.08 H new ATOM 0 HA PHE A 12 7.648 -1.257 0.438 1.00 0.09 H new ATOM 0 HB2 PHE A 12 7.473 -0.731 -2.548 1.00 0.14 H new ATOM 0 HB3 PHE A 12 6.268 -0.388 -1.322 1.00 0.14 H new ATOM 0 HD1 PHE A 12 8.631 0.709 0.692 1.00 0.51 H new ATOM 0 HD2 PHE A 12 7.338 1.593 -3.321 1.00 0.29 H new ATOM 0 HE1 PHE A 12 9.516 3.017 0.900 1.00 0.60 H new ATOM 0 HE2 PHE A 12 8.238 3.882 -3.102 1.00 0.32 H new ATOM 0 HZ PHE A 12 9.319 4.601 -0.995 1.00 0.41 H new ATOM 186 N LYS A 13 8.491 -3.467 -1.791 1.00 0.11 N ATOM 187 CA LYS A 13 8.184 -4.853 -2.232 1.00 0.09 C ATOM 188 C LYS A 13 8.330 -5.803 -1.043 1.00 0.09 C ATOM 189 O LYS A 13 7.530 -6.698 -0.854 1.00 0.09 O ATOM 190 CB LYS A 13 9.145 -5.273 -3.349 1.00 0.06 C ATOM 191 CG LYS A 13 8.828 -6.719 -3.804 1.00 0.05 C ATOM 192 CD LYS A 13 9.139 -6.892 -5.302 1.00 0.06 C ATOM 193 CE LYS A 13 7.945 -6.430 -6.145 1.00 0.12 C ATOM 194 NZ LYS A 13 8.367 -6.287 -7.567 1.00 0.92 N ATOM 0 H LYS A 13 9.371 -3.082 -2.134 1.00 0.11 H new ATOM 0 HA LYS A 13 7.163 -4.894 -2.611 1.00 0.09 H new ATOM 0 HB2 LYS A 13 9.055 -4.589 -4.193 1.00 0.06 H new ATOM 0 HB3 LYS A 13 10.175 -5.211 -2.997 1.00 0.06 H new ATOM 0 HG2 LYS A 13 9.416 -7.428 -3.220 1.00 0.05 H new ATOM 0 HG3 LYS A 13 7.778 -6.944 -3.616 1.00 0.05 H new ATOM 0 HD2 LYS A 13 10.025 -6.315 -5.566 1.00 0.06 H new ATOM 0 HD3 LYS A 13 9.363 -7.937 -5.517 1.00 0.06 H new ATOM 0 HE2 LYS A 13 7.131 -7.150 -6.067 1.00 0.12 H new ATOM 0 HE3 LYS A 13 7.567 -5.479 -5.769 1.00 0.12 H new ATOM 0 HZ1 LYS A 13 7.557 -5.974 -8.140 1.00 0.92 H new ATOM 0 HZ2 LYS A 13 9.131 -5.584 -7.633 1.00 0.92 H new ATOM 0 HZ3 LYS A 13 8.708 -7.203 -7.922 1.00 0.92 H new ATOM 208 N GLU A 14 9.337 -5.618 -0.227 1.00 0.10 N ATOM 209 CA GLU A 14 9.495 -6.523 0.947 1.00 0.10 C ATOM 210 C GLU A 14 8.310 -6.322 1.890 1.00 0.09 C ATOM 211 O GLU A 14 7.740 -7.266 2.402 1.00 0.16 O ATOM 212 CB GLU A 14 10.801 -6.205 1.695 1.00 0.10 C ATOM 213 CG GLU A 14 11.939 -5.936 0.694 1.00 0.21 C ATOM 214 CD GLU A 14 13.290 -6.294 1.326 1.00 0.73 C ATOM 215 OE1 GLU A 14 13.640 -7.462 1.300 1.00 0.53 O ATOM 216 OE2 GLU A 14 13.947 -5.395 1.825 1.00 1.89 O ATOM 0 H GLU A 14 10.046 -4.891 -0.322 1.00 0.10 H new ATOM 0 HA GLU A 14 9.531 -7.556 0.602 1.00 0.10 H new ATOM 0 HB2 GLU A 14 10.658 -5.335 2.336 1.00 0.10 H new ATOM 0 HB3 GLU A 14 11.068 -7.039 2.344 1.00 0.10 H new ATOM 0 HG2 GLU A 14 11.785 -6.524 -0.211 1.00 0.21 H new ATOM 0 HG3 GLU A 14 11.933 -4.887 0.398 1.00 0.21 H new ATOM 223 N ALA A 15 7.943 -5.096 2.122 1.00 0.04 N ATOM 224 CA ALA A 15 6.796 -4.819 3.034 1.00 0.06 C ATOM 225 C ALA A 15 5.488 -5.265 2.378 1.00 0.04 C ATOM 226 O ALA A 15 4.527 -5.579 3.050 1.00 0.09 O ATOM 227 CB ALA A 15 6.730 -3.321 3.333 1.00 0.12 C ATOM 0 H ALA A 15 8.387 -4.270 1.720 1.00 0.04 H new ATOM 0 HA ALA A 15 6.938 -5.371 3.963 1.00 0.06 H new ATOM 0 HB1 ALA A 15 5.891 -3.120 4.000 1.00 0.12 H new ATOM 0 HB2 ALA A 15 7.657 -3.004 3.810 1.00 0.12 H new ATOM 0 HB3 ALA A 15 6.594 -2.770 2.402 1.00 0.12 H new ATOM 233 N PHE A 16 5.435 -5.295 1.077 1.00 0.03 N ATOM 234 CA PHE A 16 4.179 -5.721 0.394 1.00 0.07 C ATOM 235 C PHE A 16 4.054 -7.243 0.448 1.00 0.10 C ATOM 236 O PHE A 16 3.017 -7.780 0.789 1.00 0.08 O ATOM 237 CB PHE A 16 4.217 -5.265 -1.065 1.00 0.08 C ATOM 238 CG PHE A 16 2.858 -5.448 -1.690 1.00 0.09 C ATOM 239 CD1 PHE A 16 2.521 -6.664 -2.301 1.00 0.06 C ATOM 240 CD2 PHE A 16 1.934 -4.396 -1.667 1.00 0.14 C ATOM 241 CE1 PHE A 16 1.264 -6.823 -2.894 1.00 0.07 C ATOM 242 CE2 PHE A 16 0.678 -4.555 -2.255 1.00 0.15 C ATOM 243 CZ PHE A 16 0.345 -5.767 -2.868 1.00 0.11 C ATOM 0 H PHE A 16 6.204 -5.044 0.456 1.00 0.03 H new ATOM 0 HA PHE A 16 3.323 -5.271 0.897 1.00 0.07 H new ATOM 0 HB2 PHE A 16 4.516 -4.218 -1.121 1.00 0.08 H new ATOM 0 HB3 PHE A 16 4.962 -5.839 -1.616 1.00 0.08 H new ATOM 0 HD1 PHE A 16 3.231 -7.477 -2.314 1.00 0.06 H new ATOM 0 HD2 PHE A 16 2.193 -3.461 -1.194 1.00 0.14 H new ATOM 0 HE1 PHE A 16 1.003 -7.757 -3.370 1.00 0.07 H new ATOM 0 HE2 PHE A 16 -0.035 -3.744 -2.237 1.00 0.15 H new ATOM 0 HZ PHE A 16 -0.626 -5.889 -3.324 1.00 0.11 H new ATOM 253 N SER A 17 5.097 -7.940 0.108 1.00 0.18 N ATOM 254 CA SER A 17 5.043 -9.431 0.133 1.00 0.21 C ATOM 255 C SER A 17 4.891 -9.917 1.574 1.00 0.19 C ATOM 256 O SER A 17 4.314 -10.955 1.831 1.00 0.20 O ATOM 257 CB SER A 17 6.341 -9.989 -0.458 1.00 0.27 C ATOM 258 OG SER A 17 7.293 -10.170 0.581 1.00 1.00 O ATOM 0 H SER A 17 5.989 -7.544 -0.188 1.00 0.18 H new ATOM 0 HA SER A 17 4.191 -9.775 -0.454 1.00 0.21 H new ATOM 0 HB2 SER A 17 6.147 -10.938 -0.958 1.00 0.27 H new ATOM 0 HB3 SER A 17 6.734 -9.306 -1.211 1.00 0.27 H new ATOM 0 HG SER A 17 8.124 -10.529 0.205 1.00 1.00 H new ATOM 264 N LEU A 18 5.413 -9.183 2.516 1.00 0.21 N ATOM 265 CA LEU A 18 5.308 -9.614 3.940 1.00 0.23 C ATOM 266 C LEU A 18 3.843 -9.929 4.281 1.00 0.18 C ATOM 267 O LEU A 18 3.567 -10.622 5.240 1.00 0.18 O ATOM 268 CB LEU A 18 5.832 -8.486 4.866 1.00 0.29 C ATOM 269 CG LEU A 18 7.321 -8.707 5.217 1.00 0.30 C ATOM 270 CD1 LEU A 18 7.847 -7.500 6.020 1.00 0.38 C ATOM 271 CD2 LEU A 18 7.489 -10.006 6.048 1.00 0.24 C ATOM 0 H LEU A 18 5.908 -8.304 2.363 1.00 0.21 H new ATOM 0 HA LEU A 18 5.910 -10.510 4.090 1.00 0.23 H new ATOM 0 HB2 LEU A 18 5.710 -7.521 4.375 1.00 0.29 H new ATOM 0 HB3 LEU A 18 5.239 -8.456 5.780 1.00 0.29 H new ATOM 0 HG LEU A 18 7.893 -8.805 4.294 1.00 0.30 H new ATOM 0 HD11 LEU A 18 8.897 -7.657 6.267 1.00 0.38 H new ATOM 0 HD12 LEU A 18 7.746 -6.594 5.423 1.00 0.38 H new ATOM 0 HD13 LEU A 18 7.270 -7.395 6.939 1.00 0.38 H new ATOM 0 HD21 LEU A 18 8.542 -10.150 6.289 1.00 0.24 H new ATOM 0 HD22 LEU A 18 6.914 -9.925 6.970 1.00 0.24 H new ATOM 0 HD23 LEU A 18 7.129 -10.857 5.470 1.00 0.24 H new ATOM 283 N PHE A 19 2.903 -9.420 3.515 1.00 0.14 N ATOM 284 CA PHE A 19 1.453 -9.684 3.808 1.00 0.12 C ATOM 285 C PHE A 19 0.779 -10.341 2.602 1.00 0.06 C ATOM 286 O PHE A 19 -0.426 -10.300 2.455 1.00 0.07 O ATOM 287 CB PHE A 19 0.765 -8.361 4.128 1.00 0.14 C ATOM 288 CG PHE A 19 1.419 -7.769 5.347 1.00 0.13 C ATOM 289 CD1 PHE A 19 2.625 -7.077 5.216 1.00 0.15 C ATOM 290 CD2 PHE A 19 0.834 -7.927 6.606 1.00 0.13 C ATOM 291 CE1 PHE A 19 3.248 -6.535 6.348 1.00 0.16 C ATOM 292 CE2 PHE A 19 1.454 -7.386 7.737 1.00 0.13 C ATOM 293 CZ PHE A 19 2.662 -6.689 7.609 1.00 0.14 C ATOM 0 H PHE A 19 3.077 -8.833 2.699 1.00 0.14 H new ATOM 0 HA PHE A 19 1.372 -10.360 4.660 1.00 0.12 H new ATOM 0 HB2 PHE A 19 0.847 -7.677 3.283 1.00 0.14 H new ATOM 0 HB3 PHE A 19 -0.298 -8.520 4.307 1.00 0.14 H new ATOM 0 HD1 PHE A 19 3.077 -6.960 4.242 1.00 0.15 H new ATOM 0 HD2 PHE A 19 -0.096 -8.466 6.706 1.00 0.13 H new ATOM 0 HE1 PHE A 19 4.180 -5.999 6.247 1.00 0.16 H new ATOM 0 HE2 PHE A 19 1.001 -7.506 8.710 1.00 0.13 H new ATOM 0 HZ PHE A 19 3.140 -6.271 8.482 1.00 0.14 H new ATOM 303 N ASP A 20 1.546 -10.965 1.748 1.00 0.02 N ATOM 304 CA ASP A 20 0.960 -11.650 0.557 1.00 0.04 C ATOM 305 C ASP A 20 0.865 -13.153 0.860 1.00 0.07 C ATOM 306 O ASP A 20 1.566 -13.959 0.285 1.00 0.10 O ATOM 307 CB ASP A 20 1.870 -11.432 -0.654 1.00 0.07 C ATOM 308 CG ASP A 20 1.361 -12.261 -1.834 1.00 0.15 C ATOM 309 OD1 ASP A 20 0.295 -12.839 -1.711 1.00 1.14 O ATOM 310 OD2 ASP A 20 2.046 -12.300 -2.844 1.00 0.95 O ATOM 0 H ASP A 20 2.561 -11.030 1.824 1.00 0.02 H new ATOM 0 HA ASP A 20 -0.029 -11.247 0.340 1.00 0.04 H new ATOM 0 HB2 ASP A 20 1.890 -10.375 -0.921 1.00 0.07 H new ATOM 0 HB3 ASP A 20 2.893 -11.719 -0.409 1.00 0.07 H new ATOM 315 N LYS A 21 0.018 -13.525 1.783 1.00 0.11 N ATOM 316 CA LYS A 21 -0.112 -14.967 2.158 1.00 0.14 C ATOM 317 C LYS A 21 -0.843 -15.750 1.072 1.00 0.18 C ATOM 318 O LYS A 21 -1.034 -16.947 1.175 1.00 0.20 O ATOM 319 CB LYS A 21 -0.900 -15.075 3.461 1.00 0.18 C ATOM 320 CG LYS A 21 -0.176 -14.315 4.582 1.00 0.17 C ATOM 321 CD LYS A 21 0.991 -15.150 5.126 1.00 0.14 C ATOM 322 CE LYS A 21 1.496 -14.534 6.434 1.00 0.17 C ATOM 323 NZ LYS A 21 2.507 -15.440 7.051 1.00 1.12 N ATOM 0 H LYS A 21 -0.593 -12.890 2.297 1.00 0.11 H new ATOM 0 HA LYS A 21 0.887 -15.385 2.278 1.00 0.14 H new ATOM 0 HB2 LYS A 21 -1.902 -14.668 3.324 1.00 0.18 H new ATOM 0 HB3 LYS A 21 -1.017 -16.123 3.738 1.00 0.18 H new ATOM 0 HG2 LYS A 21 0.195 -13.363 4.204 1.00 0.17 H new ATOM 0 HG3 LYS A 21 -0.875 -14.088 5.387 1.00 0.17 H new ATOM 0 HD2 LYS A 21 0.668 -16.177 5.296 1.00 0.14 H new ATOM 0 HD3 LYS A 21 1.798 -15.187 4.394 1.00 0.14 H new ATOM 0 HE2 LYS A 21 1.937 -13.556 6.242 1.00 0.17 H new ATOM 0 HE3 LYS A 21 0.664 -14.379 7.121 1.00 0.17 H new ATOM 0 HZ1 LYS A 21 2.851 -15.023 7.939 1.00 1.12 H new ATOM 0 HZ2 LYS A 21 2.071 -16.363 7.248 1.00 1.12 H new ATOM 0 HZ3 LYS A 21 3.305 -15.567 6.396 1.00 1.12 H new ATOM 337 N ASP A 22 -1.257 -15.085 0.043 1.00 0.21 N ATOM 338 CA ASP A 22 -1.990 -15.772 -1.067 1.00 0.25 C ATOM 339 C ASP A 22 -1.027 -16.050 -2.226 1.00 0.25 C ATOM 340 O ASP A 22 -1.419 -16.554 -3.260 1.00 0.29 O ATOM 341 CB ASP A 22 -3.125 -14.865 -1.552 1.00 0.30 C ATOM 342 CG ASP A 22 -3.817 -14.228 -0.346 1.00 0.54 C ATOM 343 OD1 ASP A 22 -3.155 -13.500 0.376 1.00 1.73 O ATOM 344 OD2 ASP A 22 -4.997 -14.478 -0.164 1.00 0.70 O ATOM 0 H ASP A 22 -1.123 -14.082 -0.088 1.00 0.21 H new ATOM 0 HA ASP A 22 -2.399 -16.716 -0.707 1.00 0.25 H new ATOM 0 HB2 ASP A 22 -2.731 -14.091 -2.210 1.00 0.30 H new ATOM 0 HB3 ASP A 22 -3.843 -15.442 -2.134 1.00 0.30 H new ATOM 349 N GLY A 23 0.230 -15.728 -2.067 1.00 0.21 N ATOM 350 CA GLY A 23 1.207 -15.977 -3.163 1.00 0.23 C ATOM 351 C GLY A 23 0.643 -15.431 -4.472 1.00 0.28 C ATOM 352 O GLY A 23 1.036 -15.831 -5.550 1.00 0.34 O ATOM 0 H GLY A 23 0.620 -15.304 -1.226 1.00 0.21 H new ATOM 0 HA2 GLY A 23 2.158 -15.496 -2.934 1.00 0.23 H new ATOM 0 HA3 GLY A 23 1.404 -17.045 -3.255 1.00 0.23 H new ATOM 356 N ASP A 24 -0.290 -14.519 -4.380 1.00 0.27 N ATOM 357 CA ASP A 24 -0.908 -13.934 -5.611 1.00 0.32 C ATOM 358 C ASP A 24 -0.278 -12.572 -5.910 1.00 0.25 C ATOM 359 O ASP A 24 -0.654 -11.898 -6.847 1.00 0.31 O ATOM 360 CB ASP A 24 -2.408 -13.756 -5.382 1.00 0.38 C ATOM 361 CG ASP A 24 -3.101 -13.486 -6.719 1.00 0.43 C ATOM 362 OD1 ASP A 24 -3.279 -14.429 -7.472 1.00 1.08 O ATOM 363 OD2 ASP A 24 -3.444 -12.341 -6.966 1.00 1.30 O ATOM 0 H ASP A 24 -0.653 -14.151 -3.501 1.00 0.27 H new ATOM 0 HA ASP A 24 -0.737 -14.603 -6.455 1.00 0.32 H new ATOM 0 HB2 ASP A 24 -2.824 -14.651 -4.919 1.00 0.38 H new ATOM 0 HB3 ASP A 24 -2.586 -12.929 -4.695 1.00 0.38 H new ATOM 368 N GLY A 25 0.681 -12.160 -5.125 1.00 0.14 N ATOM 369 CA GLY A 25 1.324 -10.838 -5.378 1.00 0.11 C ATOM 370 C GLY A 25 0.333 -9.717 -5.042 1.00 0.08 C ATOM 371 O GLY A 25 0.413 -8.630 -5.579 1.00 0.06 O ATOM 0 H GLY A 25 1.045 -12.677 -4.325 1.00 0.14 H new ATOM 0 HA2 GLY A 25 2.224 -10.737 -4.771 1.00 0.11 H new ATOM 0 HA3 GLY A 25 1.633 -10.765 -6.421 1.00 0.11 H new ATOM 375 N THR A 26 -0.609 -9.969 -4.158 1.00 0.09 N ATOM 376 CA THR A 26 -1.608 -8.920 -3.788 1.00 0.10 C ATOM 377 C THR A 26 -1.867 -8.970 -2.280 1.00 0.09 C ATOM 378 O THR A 26 -1.482 -9.902 -1.603 1.00 0.09 O ATOM 379 CB THR A 26 -2.922 -9.173 -4.530 1.00 0.13 C ATOM 380 OG1 THR A 26 -3.468 -10.418 -4.118 1.00 0.14 O ATOM 381 CG2 THR A 26 -2.668 -9.199 -6.038 1.00 0.19 C ATOM 0 H THR A 26 -0.726 -10.861 -3.677 1.00 0.09 H new ATOM 0 HA THR A 26 -1.216 -7.941 -4.063 1.00 0.10 H new ATOM 0 HB THR A 26 -3.625 -8.373 -4.298 1.00 0.13 H new ATOM 0 HG1 THR A 26 -4.310 -10.579 -4.592 1.00 0.14 H new ATOM 0 HG21 THR A 26 -3.607 -9.379 -6.562 1.00 0.19 H new ATOM 0 HG22 THR A 26 -2.254 -8.241 -6.354 1.00 0.19 H new ATOM 0 HG23 THR A 26 -1.962 -9.995 -6.274 1.00 0.19 H new ATOM 389 N ILE A 27 -2.528 -7.972 -1.755 1.00 0.10 N ATOM 390 CA ILE A 27 -2.837 -7.944 -0.292 1.00 0.10 C ATOM 391 C ILE A 27 -4.254 -7.403 -0.102 1.00 0.12 C ATOM 392 O ILE A 27 -4.810 -6.789 -0.992 1.00 0.18 O ATOM 393 CB ILE A 27 -1.841 -7.032 0.434 1.00 0.09 C ATOM 394 CG1 ILE A 27 -1.899 -5.619 -0.169 1.00 0.11 C ATOM 395 CG2 ILE A 27 -0.424 -7.602 0.285 1.00 0.06 C ATOM 396 CD1 ILE A 27 -0.934 -4.696 0.577 1.00 0.13 C ATOM 0 H ILE A 27 -2.870 -7.168 -2.281 1.00 0.10 H new ATOM 0 HA ILE A 27 -2.760 -8.950 0.120 1.00 0.10 H new ATOM 0 HB ILE A 27 -2.100 -6.980 1.491 1.00 0.09 H new ATOM 0 HG12 ILE A 27 -1.638 -5.654 -1.227 1.00 0.11 H new ATOM 0 HG13 ILE A 27 -2.914 -5.228 -0.104 1.00 0.11 H new ATOM 0 HG21 ILE A 27 0.285 -6.954 0.801 1.00 0.06 H new ATOM 0 HG22 ILE A 27 -0.386 -8.601 0.720 1.00 0.06 H new ATOM 0 HG23 ILE A 27 -0.163 -7.656 -0.772 1.00 0.06 H new ATOM 0 HD11 ILE A 27 -0.980 -3.696 0.145 1.00 0.13 H new ATOM 0 HD12 ILE A 27 -1.215 -4.650 1.629 1.00 0.13 H new ATOM 0 HD13 ILE A 27 0.081 -5.083 0.489 1.00 0.13 H new ATOM 408 N THR A 28 -4.848 -7.614 1.039 1.00 0.08 N ATOM 409 CA THR A 28 -6.228 -7.096 1.258 1.00 0.10 C ATOM 410 C THR A 28 -6.172 -5.672 1.793 1.00 0.11 C ATOM 411 O THR A 28 -5.148 -5.199 2.243 1.00 0.11 O ATOM 412 CB THR A 28 -6.957 -7.960 2.281 1.00 0.10 C ATOM 413 OG1 THR A 28 -6.639 -7.511 3.592 1.00 0.08 O ATOM 414 CG2 THR A 28 -6.535 -9.419 2.126 1.00 0.09 C ATOM 0 H THR A 28 -4.441 -8.120 1.826 1.00 0.08 H new ATOM 0 HA THR A 28 -6.756 -7.119 0.305 1.00 0.10 H new ATOM 0 HB THR A 28 -8.032 -7.880 2.117 1.00 0.10 H new ATOM 0 HG1 THR A 28 -6.830 -8.224 4.237 1.00 0.08 H new ATOM 0 HG21 THR A 28 -7.060 -10.030 2.860 1.00 0.09 H new ATOM 0 HG22 THR A 28 -6.783 -9.765 1.123 1.00 0.09 H new ATOM 0 HG23 THR A 28 -5.460 -9.506 2.284 1.00 0.09 H new ATOM 422 N THR A 29 -7.280 -4.992 1.766 1.00 0.14 N ATOM 423 CA THR A 29 -7.320 -3.608 2.290 1.00 0.16 C ATOM 424 C THR A 29 -7.133 -3.642 3.806 1.00 0.16 C ATOM 425 O THR A 29 -6.562 -2.745 4.395 1.00 0.20 O ATOM 426 CB THR A 29 -8.682 -3.000 1.969 1.00 0.19 C ATOM 427 OG1 THR A 29 -9.705 -3.891 2.397 1.00 0.35 O ATOM 428 CG2 THR A 29 -8.804 -2.769 0.464 1.00 0.08 C ATOM 0 H THR A 29 -8.166 -5.341 1.400 1.00 0.14 H new ATOM 0 HA THR A 29 -6.528 -3.013 1.834 1.00 0.16 H new ATOM 0 HB THR A 29 -8.784 -2.046 2.487 1.00 0.19 H new ATOM 0 HG1 THR A 29 -10.582 -3.504 2.194 1.00 0.35 H new ATOM 0 HG21 THR A 29 -9.778 -2.335 0.240 1.00 0.08 H new ATOM 0 HG22 THR A 29 -8.019 -2.088 0.136 1.00 0.08 H new ATOM 0 HG23 THR A 29 -8.702 -3.720 -0.059 1.00 0.08 H new ATOM 436 N LYS A 30 -7.621 -4.672 4.439 1.00 0.12 N ATOM 437 CA LYS A 30 -7.487 -4.773 5.918 1.00 0.11 C ATOM 438 C LYS A 30 -6.011 -4.779 6.314 1.00 0.08 C ATOM 439 O LYS A 30 -5.655 -4.384 7.407 1.00 0.09 O ATOM 440 CB LYS A 30 -8.151 -6.065 6.402 1.00 0.09 C ATOM 441 CG LYS A 30 -9.670 -5.938 6.280 1.00 0.25 C ATOM 442 CD LYS A 30 -10.330 -7.221 6.791 1.00 0.23 C ATOM 443 CE LYS A 30 -11.841 -7.007 6.910 1.00 0.53 C ATOM 444 NZ LYS A 30 -12.118 -5.993 7.968 1.00 1.71 N ATOM 0 H LYS A 30 -8.108 -5.450 3.994 1.00 0.12 H new ATOM 0 HA LYS A 30 -7.974 -3.914 6.379 1.00 0.11 H new ATOM 0 HB2 LYS A 30 -7.798 -6.910 5.811 1.00 0.09 H new ATOM 0 HB3 LYS A 30 -7.874 -6.262 7.438 1.00 0.09 H new ATOM 0 HG2 LYS A 30 -10.022 -5.081 6.855 1.00 0.25 H new ATOM 0 HG3 LYS A 30 -9.949 -5.761 5.241 1.00 0.25 H new ATOM 0 HD2 LYS A 30 -10.122 -8.046 6.110 1.00 0.23 H new ATOM 0 HD3 LYS A 30 -9.914 -7.495 7.760 1.00 0.23 H new ATOM 0 HE2 LYS A 30 -12.248 -6.673 5.956 1.00 0.53 H new ATOM 0 HE3 LYS A 30 -12.334 -7.948 7.155 1.00 0.53 H new ATOM 0 HZ1 LYS A 30 -13.062 -6.161 8.372 1.00 1.71 H new ATOM 0 HZ2 LYS A 30 -11.402 -6.069 8.718 1.00 1.71 H new ATOM 0 HZ3 LYS A 30 -12.084 -5.040 7.553 1.00 1.71 H new ATOM 458 N GLU A 31 -5.148 -5.226 5.440 1.00 0.06 N ATOM 459 CA GLU A 31 -3.685 -5.259 5.772 1.00 0.06 C ATOM 460 C GLU A 31 -2.976 -4.058 5.144 1.00 0.09 C ATOM 461 O GLU A 31 -1.766 -3.957 5.179 1.00 0.11 O ATOM 462 CB GLU A 31 -3.058 -6.544 5.225 1.00 0.04 C ATOM 463 CG GLU A 31 -3.817 -7.759 5.759 1.00 0.03 C ATOM 464 CD GLU A 31 -3.378 -9.009 4.994 1.00 0.04 C ATOM 465 OE1 GLU A 31 -3.357 -8.958 3.776 1.00 0.02 O ATOM 466 OE2 GLU A 31 -3.073 -9.999 5.641 1.00 0.11 O ATOM 0 H GLU A 31 -5.388 -5.570 4.510 1.00 0.06 H new ATOM 0 HA GLU A 31 -3.573 -5.224 6.856 1.00 0.06 H new ATOM 0 HB2 GLU A 31 -3.085 -6.537 4.135 1.00 0.04 H new ATOM 0 HB3 GLU A 31 -2.010 -6.601 5.518 1.00 0.04 H new ATOM 0 HG2 GLU A 31 -3.622 -7.884 6.824 1.00 0.03 H new ATOM 0 HG3 GLU A 31 -4.891 -7.609 5.647 1.00 0.03 H new ATOM 473 N LEU A 32 -3.708 -3.147 4.561 1.00 0.11 N ATOM 474 CA LEU A 32 -3.049 -1.969 3.935 1.00 0.14 C ATOM 475 C LEU A 32 -2.410 -1.105 5.027 1.00 0.13 C ATOM 476 O LEU A 32 -1.252 -0.743 4.946 1.00 0.14 O ATOM 477 CB LEU A 32 -4.084 -1.146 3.155 1.00 0.17 C ATOM 478 CG LEU A 32 -3.460 0.171 2.666 1.00 0.19 C ATOM 479 CD1 LEU A 32 -2.156 -0.109 1.910 1.00 0.24 C ATOM 480 CD2 LEU A 32 -4.449 0.886 1.743 1.00 0.24 C ATOM 0 H LEU A 32 -4.725 -3.168 4.492 1.00 0.11 H new ATOM 0 HA LEU A 32 -2.277 -2.309 3.245 1.00 0.14 H new ATOM 0 HB2 LEU A 32 -4.449 -1.721 2.304 1.00 0.17 H new ATOM 0 HB3 LEU A 32 -4.944 -0.935 3.790 1.00 0.17 H new ATOM 0 HG LEU A 32 -3.237 0.803 3.526 1.00 0.19 H new ATOM 0 HD11 LEU A 32 -1.724 0.832 1.569 1.00 0.24 H new ATOM 0 HD12 LEU A 32 -1.452 -0.612 2.573 1.00 0.24 H new ATOM 0 HD13 LEU A 32 -2.364 -0.746 1.050 1.00 0.24 H new ATOM 0 HD21 LEU A 32 -4.010 1.821 1.394 1.00 0.24 H new ATOM 0 HD22 LEU A 32 -4.674 0.249 0.888 1.00 0.24 H new ATOM 0 HD23 LEU A 32 -5.368 1.098 2.289 1.00 0.24 H new ATOM 492 N GLY A 33 -3.153 -0.771 6.050 1.00 0.11 N ATOM 493 CA GLY A 33 -2.581 0.068 7.140 1.00 0.09 C ATOM 494 C GLY A 33 -1.449 -0.691 7.832 1.00 0.09 C ATOM 495 O GLY A 33 -0.519 -0.101 8.345 1.00 0.10 O ATOM 0 H GLY A 33 -4.128 -1.043 6.176 1.00 0.11 H new ATOM 0 HA2 GLY A 33 -2.206 1.007 6.732 1.00 0.09 H new ATOM 0 HA3 GLY A 33 -3.357 0.322 7.862 1.00 0.09 H new ATOM 499 N THR A 34 -1.516 -1.993 7.853 1.00 0.10 N ATOM 500 CA THR A 34 -0.437 -2.778 8.516 1.00 0.12 C ATOM 501 C THR A 34 0.852 -2.649 7.705 1.00 0.14 C ATOM 502 O THR A 34 1.929 -2.507 8.250 1.00 0.16 O ATOM 503 CB THR A 34 -0.856 -4.251 8.603 1.00 0.11 C ATOM 504 OG1 THR A 34 -2.232 -4.331 8.942 1.00 0.07 O ATOM 505 CG2 THR A 34 -0.024 -4.966 9.671 1.00 0.16 C ATOM 0 H THR A 34 -2.268 -2.546 7.442 1.00 0.10 H new ATOM 0 HA THR A 34 -0.268 -2.396 9.523 1.00 0.12 H new ATOM 0 HB THR A 34 -0.688 -4.730 7.638 1.00 0.11 H new ATOM 0 HG1 THR A 34 -2.501 -5.272 8.996 1.00 0.07 H new ATOM 0 HG21 THR A 34 -0.326 -6.012 9.728 1.00 0.16 H new ATOM 0 HG22 THR A 34 1.032 -4.907 9.409 1.00 0.16 H new ATOM 0 HG23 THR A 34 -0.185 -4.489 10.638 1.00 0.16 H new ATOM 513 N VAL A 35 0.753 -2.683 6.405 1.00 0.13 N ATOM 514 CA VAL A 35 1.975 -2.547 5.567 1.00 0.15 C ATOM 515 C VAL A 35 2.532 -1.134 5.739 1.00 0.17 C ATOM 516 O VAL A 35 3.691 -0.945 6.052 1.00 0.24 O ATOM 517 CB VAL A 35 1.622 -2.780 4.097 1.00 0.14 C ATOM 518 CG1 VAL A 35 2.853 -2.511 3.227 1.00 0.15 C ATOM 519 CG2 VAL A 35 1.173 -4.229 3.906 1.00 0.13 C ATOM 0 H VAL A 35 -0.119 -2.799 5.889 1.00 0.13 H new ATOM 0 HA VAL A 35 2.718 -3.283 5.875 1.00 0.15 H new ATOM 0 HB VAL A 35 0.816 -2.106 3.806 1.00 0.14 H new ATOM 0 HG11 VAL A 35 2.602 -2.677 2.179 1.00 0.15 H new ATOM 0 HG12 VAL A 35 3.176 -1.479 3.363 1.00 0.15 H new ATOM 0 HG13 VAL A 35 3.659 -3.185 3.518 1.00 0.15 H new ATOM 0 HG21 VAL A 35 0.921 -4.397 2.859 1.00 0.13 H new ATOM 0 HG22 VAL A 35 1.980 -4.901 4.197 1.00 0.13 H new ATOM 0 HG23 VAL A 35 0.297 -4.423 4.525 1.00 0.13 H new ATOM 529 N MET A 36 1.708 -0.138 5.550 1.00 0.12 N ATOM 530 CA MET A 36 2.188 1.258 5.716 1.00 0.15 C ATOM 531 C MET A 36 2.773 1.408 7.125 1.00 0.15 C ATOM 532 O MET A 36 3.702 2.160 7.346 1.00 0.19 O ATOM 533 CB MET A 36 1.016 2.239 5.549 1.00 0.14 C ATOM 534 CG MET A 36 0.630 2.381 4.067 1.00 0.18 C ATOM 535 SD MET A 36 -0.212 3.969 3.822 1.00 0.94 S ATOM 536 CE MET A 36 0.502 4.378 2.210 1.00 0.46 C ATOM 0 H MET A 36 0.727 -0.234 5.289 1.00 0.12 H new ATOM 0 HA MET A 36 2.946 1.477 4.964 1.00 0.15 H new ATOM 0 HB2 MET A 36 0.157 1.888 6.121 1.00 0.14 H new ATOM 0 HB3 MET A 36 1.291 3.213 5.953 1.00 0.14 H new ATOM 0 HG2 MET A 36 1.520 2.327 3.440 1.00 0.18 H new ATOM 0 HG3 MET A 36 -0.021 1.560 3.768 1.00 0.18 H new ATOM 0 HE1 MET A 36 0.109 5.336 1.871 1.00 0.46 H new ATOM 0 HE2 MET A 36 1.587 4.441 2.298 1.00 0.46 H new ATOM 0 HE3 MET A 36 0.241 3.603 1.489 1.00 0.46 H new ATOM 546 N ARG A 37 2.235 0.694 8.080 1.00 0.14 N ATOM 547 CA ARG A 37 2.756 0.790 9.473 1.00 0.18 C ATOM 548 C ARG A 37 4.174 0.213 9.527 1.00 0.19 C ATOM 549 O ARG A 37 4.999 0.643 10.307 1.00 0.25 O ATOM 550 CB ARG A 37 1.832 0.000 10.416 1.00 0.21 C ATOM 551 CG ARG A 37 0.614 0.856 10.812 1.00 0.26 C ATOM 552 CD ARG A 37 0.955 1.737 12.024 1.00 0.97 C ATOM 553 NE ARG A 37 0.808 0.938 13.273 1.00 0.97 N ATOM 554 CZ ARG A 37 1.319 1.375 14.390 1.00 2.08 C ATOM 555 NH1 ARG A 37 1.961 2.510 14.415 1.00 3.35 N ATOM 556 NH2 ARG A 37 1.192 0.675 15.484 1.00 2.08 N ATOM 0 H ARG A 37 1.456 0.048 7.953 1.00 0.14 H new ATOM 0 HA ARG A 37 2.783 1.834 9.786 1.00 0.18 H new ATOM 0 HB2 ARG A 37 1.498 -0.915 9.927 1.00 0.21 H new ATOM 0 HB3 ARG A 37 2.381 -0.298 11.309 1.00 0.21 H new ATOM 0 HG2 ARG A 37 0.312 1.482 9.972 1.00 0.26 H new ATOM 0 HG3 ARG A 37 -0.232 0.210 11.049 1.00 0.26 H new ATOM 0 HD2 ARG A 37 1.974 2.114 11.938 1.00 0.97 H new ATOM 0 HD3 ARG A 37 0.296 2.604 12.054 1.00 0.97 H new ATOM 0 HE ARG A 37 0.308 0.049 13.254 1.00 0.97 H new ATOM 0 HH11 ARG A 37 2.064 3.057 13.560 1.00 3.35 H new ATOM 0 HH12 ARG A 37 2.360 2.851 15.289 1.00 3.35 H new ATOM 0 HH21 ARG A 37 0.693 -0.214 15.465 1.00 2.08 H new ATOM 0 HH22 ARG A 37 1.592 1.017 16.358 1.00 2.08 H new ATOM 570 N SER A 38 4.461 -0.756 8.705 1.00 0.16 N ATOM 571 CA SER A 38 5.826 -1.353 8.711 1.00 0.19 C ATOM 572 C SER A 38 6.842 -0.306 8.250 1.00 0.22 C ATOM 573 O SER A 38 7.963 -0.269 8.716 1.00 0.28 O ATOM 574 CB SER A 38 5.860 -2.553 7.763 1.00 0.21 C ATOM 575 OG SER A 38 5.856 -2.089 6.419 1.00 0.18 O ATOM 0 H SER A 38 3.812 -1.160 8.030 1.00 0.16 H new ATOM 0 HA SER A 38 6.077 -1.681 9.720 1.00 0.19 H new ATOM 0 HB2 SER A 38 6.750 -3.154 7.950 1.00 0.21 H new ATOM 0 HB3 SER A 38 4.998 -3.196 7.941 1.00 0.21 H new ATOM 0 HG SER A 38 4.934 -2.045 6.091 1.00 0.18 H new ATOM 581 N LEU A 39 6.459 0.544 7.335 1.00 0.19 N ATOM 582 CA LEU A 39 7.406 1.588 6.846 1.00 0.22 C ATOM 583 C LEU A 39 7.484 2.732 7.862 1.00 0.22 C ATOM 584 O LEU A 39 8.187 3.702 7.663 1.00 0.23 O ATOM 585 CB LEU A 39 6.925 2.132 5.501 1.00 0.22 C ATOM 586 CG LEU A 39 6.676 0.972 4.528 1.00 0.24 C ATOM 587 CD1 LEU A 39 6.146 1.529 3.202 1.00 0.28 C ATOM 588 CD2 LEU A 39 7.987 0.208 4.278 1.00 0.30 C ATOM 0 H LEU A 39 5.534 0.561 6.906 1.00 0.19 H new ATOM 0 HA LEU A 39 8.394 1.145 6.724 1.00 0.22 H new ATOM 0 HB2 LEU A 39 6.009 2.707 5.638 1.00 0.22 H new ATOM 0 HB3 LEU A 39 7.669 2.812 5.087 1.00 0.22 H new ATOM 0 HG LEU A 39 5.943 0.290 4.959 1.00 0.24 H new ATOM 0 HD11 LEU A 39 5.968 0.708 2.508 1.00 0.28 H new ATOM 0 HD12 LEU A 39 5.213 2.064 3.379 1.00 0.28 H new ATOM 0 HD13 LEU A 39 6.880 2.212 2.775 1.00 0.28 H new ATOM 0 HD21 LEU A 39 7.803 -0.614 3.586 1.00 0.30 H new ATOM 0 HD22 LEU A 39 8.726 0.884 3.849 1.00 0.30 H new ATOM 0 HD23 LEU A 39 8.363 -0.189 5.221 1.00 0.30 H new ATOM 600 N GLY A 40 6.776 2.623 8.954 1.00 0.21 N ATOM 601 CA GLY A 40 6.822 3.700 9.989 1.00 0.22 C ATOM 602 C GLY A 40 5.790 4.790 9.671 1.00 0.18 C ATOM 603 O GLY A 40 5.857 5.882 10.195 1.00 0.20 O ATOM 0 H GLY A 40 6.167 1.835 9.176 1.00 0.21 H new ATOM 0 HA2 GLY A 40 6.622 3.276 10.973 1.00 0.22 H new ATOM 0 HA3 GLY A 40 7.821 4.135 10.026 1.00 0.22 H new ATOM 607 N GLN A 41 4.833 4.500 8.827 1.00 0.15 N ATOM 608 CA GLN A 41 3.792 5.520 8.484 1.00 0.14 C ATOM 609 C GLN A 41 2.527 5.227 9.296 1.00 0.10 C ATOM 610 O GLN A 41 2.197 4.083 9.543 1.00 0.10 O ATOM 611 CB GLN A 41 3.468 5.438 6.993 1.00 0.16 C ATOM 612 CG GLN A 41 4.727 5.738 6.176 1.00 0.29 C ATOM 613 CD GLN A 41 4.339 6.021 4.722 1.00 1.00 C ATOM 614 OE1 GLN A 41 4.237 5.115 3.921 1.00 2.15 O ATOM 615 NE2 GLN A 41 4.115 7.251 4.347 1.00 1.01 N ATOM 0 H GLN A 41 4.726 3.600 8.359 1.00 0.15 H new ATOM 0 HA GLN A 41 4.162 6.519 8.717 1.00 0.14 H new ATOM 0 HB2 GLN A 41 3.091 4.446 6.747 1.00 0.16 H new ATOM 0 HB3 GLN A 41 2.681 6.150 6.742 1.00 0.16 H new ATOM 0 HG2 GLN A 41 5.250 6.596 6.597 1.00 0.29 H new ATOM 0 HG3 GLN A 41 5.413 4.892 6.222 1.00 0.29 H new ATOM 0 HE21 GLN A 41 4.201 8.013 5.020 1.00 1.01 H new ATOM 0 HE22 GLN A 41 3.854 7.450 3.381 1.00 1.01 H new ATOM 624 N ASN A 42 1.823 6.245 9.728 1.00 0.08 N ATOM 625 CA ASN A 42 0.583 6.017 10.541 1.00 0.07 C ATOM 626 C ASN A 42 -0.551 6.939 10.067 1.00 0.09 C ATOM 627 O ASN A 42 -0.882 7.891 10.747 1.00 0.09 O ATOM 628 CB ASN A 42 0.892 6.324 12.010 1.00 0.06 C ATOM 629 CG ASN A 42 -0.257 5.828 12.889 1.00 0.12 C ATOM 630 OD1 ASN A 42 -0.478 4.639 13.007 1.00 1.31 O ATOM 631 ND2 ASN A 42 -1.003 6.696 13.517 1.00 1.17 N ATOM 0 H ASN A 42 2.052 7.224 9.554 1.00 0.08 H new ATOM 0 HA ASN A 42 0.267 4.980 10.423 1.00 0.07 H new ATOM 0 HB2 ASN A 42 1.824 5.841 12.305 1.00 0.06 H new ATOM 0 HB3 ASN A 42 1.031 7.396 12.147 1.00 0.06 H new ATOM 0 HD21 ASN A 42 -1.771 6.376 14.107 1.00 1.17 H new ATOM 0 HD22 ASN A 42 -0.818 7.694 13.418 1.00 1.17 H new ATOM 638 N PRO A 43 -1.133 6.631 8.925 1.00 0.11 N ATOM 639 CA PRO A 43 -2.247 7.437 8.389 1.00 0.13 C ATOM 640 C PRO A 43 -3.483 7.216 9.271 1.00 0.12 C ATOM 641 O PRO A 43 -3.647 6.164 9.857 1.00 0.09 O ATOM 642 CB PRO A 43 -2.473 6.896 6.957 1.00 0.15 C ATOM 643 CG PRO A 43 -1.577 5.632 6.793 1.00 0.14 C ATOM 644 CD PRO A 43 -0.738 5.482 8.082 1.00 0.12 C ATOM 0 HA PRO A 43 -2.044 8.508 8.376 1.00 0.13 H new ATOM 0 HB2 PRO A 43 -3.523 6.646 6.802 1.00 0.15 H new ATOM 0 HB3 PRO A 43 -2.212 7.651 6.215 1.00 0.15 H new ATOM 0 HG2 PRO A 43 -2.191 4.746 6.631 1.00 0.14 H new ATOM 0 HG3 PRO A 43 -0.928 5.733 5.923 1.00 0.14 H new ATOM 0 HD2 PRO A 43 -0.945 4.535 8.581 1.00 0.12 H new ATOM 0 HD3 PRO A 43 0.330 5.500 7.863 1.00 0.12 H new ATOM 652 N THR A 44 -4.358 8.178 9.371 1.00 0.15 N ATOM 653 CA THR A 44 -5.564 7.967 10.220 1.00 0.14 C ATOM 654 C THR A 44 -6.483 6.961 9.536 1.00 0.13 C ATOM 655 O THR A 44 -6.240 6.539 8.423 1.00 0.16 O ATOM 656 CB THR A 44 -6.316 9.284 10.420 1.00 0.17 C ATOM 657 OG1 THR A 44 -6.570 9.882 9.159 1.00 0.20 O ATOM 658 CG2 THR A 44 -5.476 10.234 11.278 1.00 0.13 C ATOM 0 H THR A 44 -4.293 9.086 8.911 1.00 0.15 H new ATOM 0 HA THR A 44 -5.251 7.591 11.194 1.00 0.14 H new ATOM 0 HB THR A 44 -7.262 9.085 10.924 1.00 0.17 H new ATOM 0 HG1 THR A 44 -7.053 10.725 9.288 1.00 0.20 H new ATOM 0 HG21 THR A 44 -6.015 11.171 11.418 1.00 0.13 H new ATOM 0 HG22 THR A 44 -5.286 9.776 12.249 1.00 0.13 H new ATOM 0 HG23 THR A 44 -4.528 10.432 10.779 1.00 0.13 H new ATOM 666 N GLU A 45 -7.532 6.568 10.194 1.00 0.11 N ATOM 667 CA GLU A 45 -8.465 5.583 9.586 1.00 0.09 C ATOM 668 C GLU A 45 -9.175 6.210 8.384 1.00 0.11 C ATOM 669 O GLU A 45 -9.374 5.570 7.371 1.00 0.11 O ATOM 670 CB GLU A 45 -9.497 5.164 10.632 1.00 0.08 C ATOM 671 CG GLU A 45 -8.827 4.277 11.686 1.00 0.10 C ATOM 672 CD GLU A 45 -8.476 2.922 11.069 1.00 1.51 C ATOM 673 OE1 GLU A 45 -7.390 2.803 10.526 1.00 2.93 O ATOM 674 OE2 GLU A 45 -9.300 2.026 11.148 1.00 1.84 O ATOM 0 H GLU A 45 -7.786 6.886 11.129 1.00 0.11 H new ATOM 0 HA GLU A 45 -7.905 4.710 9.249 1.00 0.09 H new ATOM 0 HB2 GLU A 45 -9.929 6.046 11.105 1.00 0.08 H new ATOM 0 HB3 GLU A 45 -10.315 4.625 10.155 1.00 0.08 H new ATOM 0 HG2 GLU A 45 -7.926 4.761 12.063 1.00 0.10 H new ATOM 0 HG3 GLU A 45 -9.494 4.139 12.537 1.00 0.10 H new ATOM 681 N ALA A 46 -9.563 7.452 8.481 1.00 0.13 N ATOM 682 CA ALA A 46 -10.259 8.095 7.334 1.00 0.14 C ATOM 683 C ALA A 46 -9.290 8.205 6.155 1.00 0.16 C ATOM 684 O ALA A 46 -9.659 7.982 5.019 1.00 0.17 O ATOM 685 CB ALA A 46 -10.753 9.488 7.741 1.00 0.15 C ATOM 0 H ALA A 46 -9.429 8.045 9.300 1.00 0.13 H new ATOM 0 HA ALA A 46 -11.117 7.491 7.041 1.00 0.14 H new ATOM 0 HB1 ALA A 46 -11.262 9.954 6.897 1.00 0.15 H new ATOM 0 HB2 ALA A 46 -11.445 9.398 8.578 1.00 0.15 H new ATOM 0 HB3 ALA A 46 -9.903 10.103 8.037 1.00 0.15 H new ATOM 691 N GLU A 47 -8.048 8.526 6.408 1.00 0.17 N ATOM 692 CA GLU A 47 -7.077 8.616 5.285 1.00 0.18 C ATOM 693 C GLU A 47 -7.014 7.250 4.611 1.00 0.17 C ATOM 694 O GLU A 47 -6.920 7.139 3.406 1.00 0.19 O ATOM 695 CB GLU A 47 -5.688 8.987 5.817 1.00 0.19 C ATOM 696 CG GLU A 47 -5.629 10.480 6.145 1.00 0.21 C ATOM 697 CD GLU A 47 -4.188 10.872 6.470 1.00 0.44 C ATOM 698 OE1 GLU A 47 -3.386 10.918 5.553 1.00 0.94 O ATOM 699 OE2 GLU A 47 -3.911 11.120 7.633 1.00 0.40 O ATOM 0 H GLU A 47 -7.670 8.727 7.334 1.00 0.17 H new ATOM 0 HA GLU A 47 -7.393 9.382 4.577 1.00 0.18 H new ATOM 0 HB2 GLU A 47 -5.464 8.402 6.709 1.00 0.19 H new ATOM 0 HB3 GLU A 47 -4.929 8.740 5.075 1.00 0.19 H new ATOM 0 HG2 GLU A 47 -5.995 11.064 5.300 1.00 0.21 H new ATOM 0 HG3 GLU A 47 -6.278 10.703 6.992 1.00 0.21 H new ATOM 706 N LEU A 48 -7.065 6.205 5.391 1.00 0.13 N ATOM 707 CA LEU A 48 -7.008 4.834 4.810 1.00 0.12 C ATOM 708 C LEU A 48 -8.326 4.515 4.091 1.00 0.15 C ATOM 709 O LEU A 48 -8.331 3.992 2.999 1.00 0.20 O ATOM 710 CB LEU A 48 -6.786 3.813 5.938 1.00 0.09 C ATOM 711 CG LEU A 48 -5.306 3.801 6.371 1.00 0.09 C ATOM 712 CD1 LEU A 48 -5.186 3.230 7.789 1.00 0.18 C ATOM 713 CD2 LEU A 48 -4.475 2.923 5.425 1.00 0.25 C ATOM 0 H LEU A 48 -7.144 6.242 6.407 1.00 0.13 H new ATOM 0 HA LEU A 48 -6.187 4.781 4.095 1.00 0.12 H new ATOM 0 HB2 LEU A 48 -7.419 4.061 6.790 1.00 0.09 H new ATOM 0 HB3 LEU A 48 -7.081 2.819 5.600 1.00 0.09 H new ATOM 0 HG LEU A 48 -4.934 4.825 6.341 1.00 0.09 H new ATOM 0 HD11 LEU A 48 -4.139 3.223 8.091 1.00 0.18 H new ATOM 0 HD12 LEU A 48 -5.759 3.848 8.480 1.00 0.18 H new ATOM 0 HD13 LEU A 48 -5.575 2.212 7.805 1.00 0.18 H new ATOM 0 HD21 LEU A 48 -3.433 2.927 5.746 1.00 0.25 H new ATOM 0 HD22 LEU A 48 -4.858 1.903 5.446 1.00 0.25 H new ATOM 0 HD23 LEU A 48 -4.543 3.316 4.410 1.00 0.25 H new ATOM 725 N GLN A 49 -9.442 4.806 4.703 1.00 0.12 N ATOM 726 CA GLN A 49 -10.750 4.490 4.055 1.00 0.15 C ATOM 727 C GLN A 49 -10.972 5.374 2.826 1.00 0.16 C ATOM 728 O GLN A 49 -11.742 5.040 1.948 1.00 0.18 O ATOM 729 CB GLN A 49 -11.889 4.736 5.049 1.00 0.18 C ATOM 730 CG GLN A 49 -11.883 3.667 6.150 1.00 0.17 C ATOM 731 CD GLN A 49 -13.230 3.669 6.871 1.00 0.94 C ATOM 732 OE1 GLN A 49 -13.956 2.693 6.833 1.00 1.33 O ATOM 733 NE2 GLN A 49 -13.602 4.732 7.529 1.00 2.16 N ATOM 0 H GLN A 49 -9.506 5.247 5.620 1.00 0.12 H new ATOM 0 HA GLN A 49 -10.736 3.444 3.747 1.00 0.15 H new ATOM 0 HB2 GLN A 49 -11.783 5.725 5.494 1.00 0.18 H new ATOM 0 HB3 GLN A 49 -12.845 4.722 4.526 1.00 0.18 H new ATOM 0 HG2 GLN A 49 -11.692 2.685 5.717 1.00 0.17 H new ATOM 0 HG3 GLN A 49 -11.079 3.865 6.859 1.00 0.17 H new ATOM 0 HE21 GLN A 49 -12.994 5.550 7.561 1.00 2.16 H new ATOM 0 HE22 GLN A 49 -14.501 4.745 8.011 1.00 2.16 H new ATOM 742 N ASP A 50 -10.325 6.498 2.756 1.00 0.16 N ATOM 743 CA ASP A 50 -10.530 7.392 1.580 1.00 0.19 C ATOM 744 C ASP A 50 -9.842 6.788 0.361 1.00 0.21 C ATOM 745 O ASP A 50 -10.403 6.730 -0.717 1.00 0.23 O ATOM 746 CB ASP A 50 -9.940 8.773 1.873 1.00 0.20 C ATOM 747 CG ASP A 50 -10.213 9.708 0.693 1.00 1.23 C ATOM 748 OD1 ASP A 50 -11.126 9.421 -0.065 1.00 2.12 O ATOM 749 OD2 ASP A 50 -9.507 10.696 0.568 1.00 1.70 O ATOM 0 H ASP A 50 -9.666 6.839 3.456 1.00 0.16 H new ATOM 0 HA ASP A 50 -11.597 7.494 1.382 1.00 0.19 H new ATOM 0 HB2 ASP A 50 -10.379 9.182 2.783 1.00 0.20 H new ATOM 0 HB3 ASP A 50 -8.867 8.692 2.045 1.00 0.20 H new ATOM 754 N MET A 51 -8.635 6.333 0.519 1.00 0.23 N ATOM 755 CA MET A 51 -7.921 5.726 -0.637 1.00 0.26 C ATOM 756 C MET A 51 -8.591 4.400 -0.993 1.00 0.26 C ATOM 757 O MET A 51 -8.623 3.996 -2.136 1.00 0.28 O ATOM 758 CB MET A 51 -6.456 5.482 -0.265 1.00 0.28 C ATOM 759 CG MET A 51 -5.818 6.797 0.193 1.00 0.30 C ATOM 760 SD MET A 51 -4.015 6.631 0.166 1.00 0.39 S ATOM 761 CE MET A 51 -3.828 5.954 1.834 1.00 0.22 C ATOM 0 H MET A 51 -8.112 6.354 1.394 1.00 0.23 H new ATOM 0 HA MET A 51 -7.963 6.400 -1.493 1.00 0.26 H new ATOM 0 HB2 MET A 51 -6.391 4.738 0.529 1.00 0.28 H new ATOM 0 HB3 MET A 51 -5.914 5.082 -1.122 1.00 0.28 H new ATOM 0 HG2 MET A 51 -6.129 7.612 -0.460 1.00 0.30 H new ATOM 0 HG3 MET A 51 -6.156 7.048 1.198 1.00 0.30 H new ATOM 0 HE1 MET A 51 -2.773 5.771 2.036 1.00 0.22 H new ATOM 0 HE2 MET A 51 -4.219 6.666 2.561 1.00 0.22 H new ATOM 0 HE3 MET A 51 -4.380 5.017 1.910 1.00 0.22 H new ATOM 771 N ILE A 52 -9.139 3.725 -0.020 1.00 0.22 N ATOM 772 CA ILE A 52 -9.816 2.435 -0.304 1.00 0.21 C ATOM 773 C ILE A 52 -11.064 2.696 -1.145 1.00 0.26 C ATOM 774 O ILE A 52 -11.353 1.982 -2.076 1.00 0.28 O ATOM 775 CB ILE A 52 -10.217 1.776 1.022 1.00 0.18 C ATOM 776 CG1 ILE A 52 -8.962 1.254 1.728 1.00 0.17 C ATOM 777 CG2 ILE A 52 -11.177 0.612 0.755 1.00 0.20 C ATOM 778 CD1 ILE A 52 -9.295 0.803 3.154 1.00 0.17 C ATOM 0 H ILE A 52 -9.146 4.014 0.958 1.00 0.22 H new ATOM 0 HA ILE A 52 -9.143 1.775 -0.850 1.00 0.21 H new ATOM 0 HB ILE A 52 -10.715 2.511 1.655 1.00 0.18 H new ATOM 0 HG12 ILE A 52 -8.542 0.420 1.166 1.00 0.17 H new ATOM 0 HG13 ILE A 52 -8.202 2.035 1.756 1.00 0.17 H new ATOM 0 HG21 ILE A 52 -11.458 0.148 1.700 1.00 0.20 H new ATOM 0 HG22 ILE A 52 -12.070 0.985 0.254 1.00 0.20 H new ATOM 0 HG23 ILE A 52 -10.686 -0.126 0.120 1.00 0.20 H new ATOM 0 HD11 ILE A 52 -8.391 0.435 3.640 1.00 0.17 H new ATOM 0 HD12 ILE A 52 -9.693 1.646 3.719 1.00 0.17 H new ATOM 0 HD13 ILE A 52 -10.038 0.006 3.119 1.00 0.17 H new ATOM 790 N ASN A 53 -11.812 3.706 -0.814 1.00 0.30 N ATOM 791 CA ASN A 53 -13.047 3.993 -1.592 1.00 0.39 C ATOM 792 C ASN A 53 -12.685 4.185 -3.071 1.00 0.41 C ATOM 793 O ASN A 53 -13.446 3.839 -3.955 1.00 0.46 O ATOM 794 CB ASN A 53 -13.737 5.260 -1.022 1.00 0.47 C ATOM 795 CG ASN A 53 -15.260 5.082 -1.015 1.00 0.89 C ATOM 796 OD1 ASN A 53 -15.968 5.768 -1.726 1.00 0.98 O ATOM 797 ND2 ASN A 53 -15.797 4.178 -0.239 1.00 2.23 N ATOM 0 H ASN A 53 -11.624 4.345 -0.041 1.00 0.30 H new ATOM 0 HA ASN A 53 -13.741 3.156 -1.510 1.00 0.39 H new ATOM 0 HB2 ASN A 53 -13.382 5.451 -0.009 1.00 0.47 H new ATOM 0 HB3 ASN A 53 -13.469 6.129 -1.623 1.00 0.47 H new ATOM 0 HD21 ASN A 53 -16.809 4.049 -0.231 1.00 2.23 H new ATOM 0 HD22 ASN A 53 -15.204 3.601 0.358 1.00 2.23 H new ATOM 804 N GLU A 54 -11.529 4.723 -3.347 1.00 0.40 N ATOM 805 CA GLU A 54 -11.118 4.924 -4.770 1.00 0.45 C ATOM 806 C GLU A 54 -10.582 3.613 -5.344 1.00 0.47 C ATOM 807 O GLU A 54 -10.954 3.191 -6.421 1.00 0.52 O ATOM 808 CB GLU A 54 -10.032 6.009 -4.843 1.00 0.44 C ATOM 809 CG GLU A 54 -10.679 7.399 -4.781 1.00 0.61 C ATOM 810 CD GLU A 54 -11.396 7.689 -6.101 1.00 2.14 C ATOM 811 OE1 GLU A 54 -11.167 6.959 -7.051 1.00 2.87 O ATOM 812 OE2 GLU A 54 -12.163 8.637 -6.138 1.00 3.33 O ATOM 0 H GLU A 54 -10.850 5.033 -2.651 1.00 0.40 H new ATOM 0 HA GLU A 54 -11.982 5.240 -5.354 1.00 0.45 H new ATOM 0 HB2 GLU A 54 -9.329 5.888 -4.019 1.00 0.44 H new ATOM 0 HB3 GLU A 54 -9.462 5.904 -5.766 1.00 0.44 H new ATOM 0 HG2 GLU A 54 -11.386 7.446 -3.953 1.00 0.61 H new ATOM 0 HG3 GLU A 54 -9.919 8.157 -4.594 1.00 0.61 H new ATOM 819 N VAL A 55 -9.691 2.986 -4.638 1.00 0.44 N ATOM 820 CA VAL A 55 -9.096 1.712 -5.137 1.00 0.47 C ATOM 821 C VAL A 55 -10.136 0.604 -5.140 1.00 0.46 C ATOM 822 O VAL A 55 -10.083 -0.328 -5.920 1.00 0.50 O ATOM 823 CB VAL A 55 -7.936 1.304 -4.236 1.00 0.43 C ATOM 824 CG1 VAL A 55 -7.398 -0.048 -4.694 1.00 0.50 C ATOM 825 CG2 VAL A 55 -6.834 2.357 -4.326 1.00 0.50 C ATOM 0 H VAL A 55 -9.344 3.299 -3.731 1.00 0.44 H new ATOM 0 HA VAL A 55 -8.741 1.870 -6.155 1.00 0.47 H new ATOM 0 HB VAL A 55 -8.277 1.227 -3.203 1.00 0.43 H new ATOM 0 HG11 VAL A 55 -6.568 -0.345 -4.053 1.00 0.50 H new ATOM 0 HG12 VAL A 55 -8.190 -0.795 -4.632 1.00 0.50 H new ATOM 0 HG13 VAL A 55 -7.051 0.028 -5.725 1.00 0.50 H new ATOM 0 HG21 VAL A 55 -6.002 2.069 -3.683 1.00 0.50 H new ATOM 0 HG22 VAL A 55 -6.487 2.433 -5.356 1.00 0.50 H new ATOM 0 HG23 VAL A 55 -7.225 3.322 -4.003 1.00 0.50 H new ATOM 835 N ASP A 56 -11.070 0.711 -4.271 1.00 0.41 N ATOM 836 CA ASP A 56 -12.145 -0.323 -4.182 1.00 0.42 C ATOM 837 C ASP A 56 -13.160 -0.047 -5.278 1.00 0.52 C ATOM 838 O ASP A 56 -14.354 -0.200 -5.109 1.00 0.56 O ATOM 839 CB ASP A 56 -12.828 -0.265 -2.812 1.00 0.38 C ATOM 840 CG ASP A 56 -13.955 -1.302 -2.763 1.00 0.42 C ATOM 841 OD1 ASP A 56 -13.657 -2.457 -2.512 1.00 1.46 O ATOM 842 OD2 ASP A 56 -15.094 -0.921 -2.976 1.00 1.23 O ATOM 0 H ASP A 56 -11.151 1.475 -3.601 1.00 0.41 H new ATOM 0 HA ASP A 56 -11.715 -1.317 -4.305 1.00 0.42 H new ATOM 0 HB2 ASP A 56 -12.103 -0.462 -2.023 1.00 0.38 H new ATOM 0 HB3 ASP A 56 -13.229 0.733 -2.635 1.00 0.38 H new ATOM 847 N ALA A 57 -12.668 0.364 -6.401 1.00 0.58 N ATOM 848 CA ALA A 57 -13.543 0.672 -7.556 1.00 0.69 C ATOM 849 C ALA A 57 -13.930 -0.625 -8.259 1.00 0.72 C ATOM 850 O ALA A 57 -14.932 -0.708 -8.939 1.00 0.79 O ATOM 851 CB ALA A 57 -12.772 1.593 -8.506 1.00 0.74 C ATOM 0 H ALA A 57 -11.672 0.503 -6.573 1.00 0.58 H new ATOM 0 HA ALA A 57 -14.456 1.169 -7.228 1.00 0.69 H new ATOM 0 HB1 ALA A 57 -13.397 1.834 -9.366 1.00 0.74 H new ATOM 0 HB2 ALA A 57 -12.503 2.511 -7.984 1.00 0.74 H new ATOM 0 HB3 ALA A 57 -11.866 1.090 -8.845 1.00 0.74 H new ATOM 857 N ASP A 58 -13.141 -1.641 -8.082 1.00 0.67 N ATOM 858 CA ASP A 58 -13.439 -2.952 -8.713 1.00 0.69 C ATOM 859 C ASP A 58 -14.495 -3.677 -7.882 1.00 0.66 C ATOM 860 O ASP A 58 -15.148 -4.592 -8.343 1.00 0.69 O ATOM 861 CB ASP A 58 -12.162 -3.802 -8.809 1.00 0.65 C ATOM 862 CG ASP A 58 -12.380 -4.937 -9.813 1.00 0.75 C ATOM 863 OD1 ASP A 58 -13.517 -5.150 -10.198 1.00 1.86 O ATOM 864 OD2 ASP A 58 -11.406 -5.575 -10.176 1.00 0.74 O ATOM 0 H ASP A 58 -12.290 -1.619 -7.519 1.00 0.67 H new ATOM 0 HA ASP A 58 -13.817 -2.790 -9.722 1.00 0.69 H new ATOM 0 HB2 ASP A 58 -11.322 -3.182 -9.122 1.00 0.65 H new ATOM 0 HB3 ASP A 58 -11.910 -4.211 -7.831 1.00 0.65 H new ATOM 869 N GLY A 59 -14.661 -3.271 -6.657 1.00 0.62 N ATOM 870 CA GLY A 59 -15.669 -3.929 -5.777 1.00 0.61 C ATOM 871 C GLY A 59 -15.091 -5.231 -5.209 1.00 0.53 C ATOM 872 O GLY A 59 -15.818 -6.092 -4.753 1.00 0.63 O ATOM 0 H GLY A 59 -14.141 -2.508 -6.223 1.00 0.62 H new ATOM 0 HA2 GLY A 59 -15.948 -3.259 -4.964 1.00 0.61 H new ATOM 0 HA3 GLY A 59 -16.577 -4.139 -6.342 1.00 0.61 H new ATOM 876 N ASN A 60 -13.788 -5.386 -5.237 1.00 0.42 N ATOM 877 CA ASN A 60 -13.159 -6.643 -4.703 1.00 0.33 C ATOM 878 C ASN A 60 -12.618 -6.412 -3.291 1.00 0.34 C ATOM 879 O ASN A 60 -12.801 -7.224 -2.405 1.00 0.72 O ATOM 880 CB ASN A 60 -12.012 -7.075 -5.624 1.00 0.25 C ATOM 881 CG ASN A 60 -12.525 -7.191 -7.059 1.00 0.89 C ATOM 882 OD1 ASN A 60 -13.190 -6.303 -7.553 1.00 1.53 O ATOM 883 ND2 ASN A 60 -12.242 -8.257 -7.756 1.00 1.31 N ATOM 0 H ASN A 60 -13.131 -4.698 -5.606 1.00 0.42 H new ATOM 0 HA ASN A 60 -13.917 -7.425 -4.667 1.00 0.33 H new ATOM 0 HB2 ASN A 60 -11.199 -6.350 -5.575 1.00 0.25 H new ATOM 0 HB3 ASN A 60 -11.607 -8.031 -5.293 1.00 0.25 H new ATOM 0 HD21 ASN A 60 -12.579 -8.344 -8.715 1.00 1.31 H new ATOM 0 HD22 ASN A 60 -11.684 -9.004 -7.342 1.00 1.31 H new ATOM 890 N GLY A 61 -11.966 -5.314 -3.076 1.00 0.06 N ATOM 891 CA GLY A 61 -11.412 -5.011 -1.719 1.00 0.10 C ATOM 892 C GLY A 61 -9.970 -5.529 -1.608 1.00 0.12 C ATOM 893 O GLY A 61 -9.573 -6.045 -0.582 1.00 0.13 O ATOM 0 H GLY A 61 -11.786 -4.601 -3.783 1.00 0.06 H new ATOM 0 HA2 GLY A 61 -11.435 -3.936 -1.540 1.00 0.10 H new ATOM 0 HA3 GLY A 61 -12.033 -5.475 -0.953 1.00 0.10 H new ATOM 897 N THR A 62 -9.181 -5.399 -2.651 1.00 0.14 N ATOM 898 CA THR A 62 -7.767 -5.883 -2.599 1.00 0.17 C ATOM 899 C THR A 62 -6.860 -4.865 -3.303 1.00 0.17 C ATOM 900 O THR A 62 -7.326 -3.964 -3.970 1.00 0.16 O ATOM 901 CB THR A 62 -7.671 -7.227 -3.322 1.00 0.17 C ATOM 902 OG1 THR A 62 -8.092 -7.069 -4.671 1.00 0.24 O ATOM 903 CG2 THR A 62 -8.564 -8.253 -2.624 1.00 0.15 C ATOM 0 H THR A 62 -9.459 -4.977 -3.537 1.00 0.14 H new ATOM 0 HA THR A 62 -7.454 -5.999 -1.561 1.00 0.17 H new ATOM 0 HB THR A 62 -6.639 -7.576 -3.301 1.00 0.17 H new ATOM 0 HG1 THR A 62 -8.029 -7.929 -5.136 1.00 0.24 H new ATOM 0 HG21 THR A 62 -8.493 -9.209 -3.142 1.00 0.15 H new ATOM 0 HG22 THR A 62 -8.239 -8.375 -1.591 1.00 0.15 H new ATOM 0 HG23 THR A 62 -9.598 -7.907 -2.641 1.00 0.15 H new ATOM 911 N ILE A 63 -5.564 -4.999 -3.156 1.00 0.19 N ATOM 912 CA ILE A 63 -4.619 -4.042 -3.810 1.00 0.19 C ATOM 913 C ILE A 63 -3.414 -4.821 -4.346 1.00 0.19 C ATOM 914 O ILE A 63 -2.892 -5.693 -3.683 1.00 0.19 O ATOM 915 CB ILE A 63 -4.148 -3.015 -2.768 1.00 0.20 C ATOM 916 CG1 ILE A 63 -5.337 -2.662 -1.862 1.00 0.19 C ATOM 917 CG2 ILE A 63 -3.606 -1.750 -3.464 1.00 0.20 C ATOM 918 CD1 ILE A 63 -4.966 -1.527 -0.908 1.00 0.21 C ATOM 0 H ILE A 63 -5.118 -5.735 -2.608 1.00 0.19 H new ATOM 0 HA ILE A 63 -5.115 -3.526 -4.632 1.00 0.19 H new ATOM 0 HB ILE A 63 -3.340 -3.438 -2.171 1.00 0.20 H new ATOM 0 HG12 ILE A 63 -6.191 -2.368 -2.472 1.00 0.19 H new ATOM 0 HG13 ILE A 63 -5.640 -3.540 -1.291 1.00 0.19 H new ATOM 0 HG21 ILE A 63 -3.277 -1.033 -2.711 1.00 0.20 H new ATOM 0 HG22 ILE A 63 -2.764 -2.018 -4.102 1.00 0.20 H new ATOM 0 HG23 ILE A 63 -4.393 -1.303 -4.071 1.00 0.20 H new ATOM 0 HD11 ILE A 63 -5.821 -1.291 -0.274 1.00 0.21 H new ATOM 0 HD12 ILE A 63 -4.126 -1.835 -0.285 1.00 0.21 H new ATOM 0 HD13 ILE A 63 -4.686 -0.645 -1.484 1.00 0.21 H new ATOM 930 N ASP A 64 -2.968 -4.507 -5.533 1.00 0.20 N ATOM 931 CA ASP A 64 -1.783 -5.212 -6.120 1.00 0.20 C ATOM 932 C ASP A 64 -0.549 -4.298 -5.971 1.00 0.20 C ATOM 933 O ASP A 64 -0.674 -3.131 -5.660 1.00 0.20 O ATOM 934 CB ASP A 64 -2.068 -5.532 -7.597 1.00 0.21 C ATOM 935 CG ASP A 64 -2.203 -4.234 -8.403 1.00 0.22 C ATOM 936 OD1 ASP A 64 -1.980 -3.178 -7.836 1.00 0.21 O ATOM 937 OD2 ASP A 64 -2.530 -4.321 -9.575 1.00 0.25 O ATOM 0 H ASP A 64 -3.375 -3.786 -6.129 1.00 0.20 H new ATOM 0 HA ASP A 64 -1.589 -6.151 -5.601 1.00 0.20 H new ATOM 0 HB2 ASP A 64 -1.262 -6.141 -8.007 1.00 0.21 H new ATOM 0 HB3 ASP A 64 -2.984 -6.117 -7.680 1.00 0.21 H new ATOM 942 N PHE A 65 0.641 -4.820 -6.155 1.00 0.20 N ATOM 943 CA PHE A 65 1.869 -3.971 -5.978 1.00 0.20 C ATOM 944 C PHE A 65 1.894 -2.745 -6.925 1.00 0.21 C ATOM 945 O PHE A 65 2.197 -1.665 -6.457 1.00 0.20 O ATOM 946 CB PHE A 65 3.144 -4.828 -6.136 1.00 0.20 C ATOM 947 CG PHE A 65 4.365 -4.062 -5.653 1.00 0.17 C ATOM 948 CD1 PHE A 65 4.474 -3.673 -4.308 1.00 1.83 C ATOM 949 CD2 PHE A 65 5.400 -3.756 -6.552 1.00 1.87 C ATOM 950 CE1 PHE A 65 5.608 -2.979 -3.870 1.00 1.85 C ATOM 951 CE2 PHE A 65 6.533 -3.065 -6.109 1.00 1.84 C ATOM 952 CZ PHE A 65 6.637 -2.674 -4.769 1.00 0.13 C ATOM 0 H PHE A 65 0.817 -5.790 -6.418 1.00 0.20 H new ATOM 0 HA PHE A 65 1.839 -3.571 -4.965 1.00 0.20 H new ATOM 0 HB2 PHE A 65 3.040 -5.753 -5.569 1.00 0.20 H new ATOM 0 HB3 PHE A 65 3.273 -5.108 -7.181 1.00 0.20 H new ATOM 0 HD1 PHE A 65 3.683 -3.909 -3.612 1.00 1.83 H new ATOM 0 HD2 PHE A 65 5.321 -4.055 -7.587 1.00 1.87 H new ATOM 0 HE1 PHE A 65 5.689 -2.678 -2.836 1.00 1.85 H new ATOM 0 HE2 PHE A 65 7.328 -2.833 -6.802 1.00 1.84 H new ATOM 0 HZ PHE A 65 7.510 -2.137 -4.429 1.00 0.13 H new ATOM 962 N PRO A 66 1.577 -2.879 -8.208 1.00 0.22 N ATOM 963 CA PRO A 66 1.590 -1.697 -9.092 1.00 0.23 C ATOM 964 C PRO A 66 0.750 -0.579 -8.457 1.00 0.23 C ATOM 965 O PRO A 66 1.198 0.540 -8.309 1.00 0.23 O ATOM 966 CB PRO A 66 0.990 -2.183 -10.430 1.00 0.26 C ATOM 967 CG PRO A 66 0.780 -3.720 -10.313 1.00 0.24 C ATOM 968 CD PRO A 66 1.189 -4.141 -8.881 1.00 0.22 C ATOM 0 HA PRO A 66 2.588 -1.287 -9.247 1.00 0.23 H new ATOM 0 HB2 PRO A 66 0.044 -1.680 -10.632 1.00 0.26 H new ATOM 0 HB3 PRO A 66 1.659 -1.949 -11.258 1.00 0.26 H new ATOM 0 HG2 PRO A 66 -0.261 -3.980 -10.506 1.00 0.24 H new ATOM 0 HG3 PRO A 66 1.382 -4.246 -11.053 1.00 0.24 H new ATOM 0 HD2 PRO A 66 0.364 -4.628 -8.362 1.00 0.22 H new ATOM 0 HD3 PRO A 66 2.017 -4.850 -8.899 1.00 0.22 H new ATOM 976 N GLU A 67 -0.463 -0.877 -8.077 1.00 0.23 N ATOM 977 CA GLU A 67 -1.318 0.166 -7.445 1.00 0.24 C ATOM 978 C GLU A 67 -0.674 0.616 -6.134 1.00 0.23 C ATOM 979 O GLU A 67 -0.802 1.755 -5.730 1.00 0.24 O ATOM 980 CB GLU A 67 -2.711 -0.403 -7.163 1.00 0.26 C ATOM 981 CG GLU A 67 -3.408 -0.731 -8.485 1.00 0.29 C ATOM 982 CD GLU A 67 -4.670 -1.551 -8.206 1.00 0.33 C ATOM 983 OE1 GLU A 67 -4.534 -2.670 -7.741 1.00 0.11 O ATOM 984 OE2 GLU A 67 -5.748 -1.044 -8.463 1.00 0.75 O ATOM 0 H GLU A 67 -0.897 -1.795 -8.177 1.00 0.23 H new ATOM 0 HA GLU A 67 -1.412 1.016 -8.120 1.00 0.24 H new ATOM 0 HB2 GLU A 67 -2.631 -1.301 -6.550 1.00 0.26 H new ATOM 0 HB3 GLU A 67 -3.302 0.318 -6.598 1.00 0.26 H new ATOM 0 HG2 GLU A 67 -3.667 0.189 -9.010 1.00 0.29 H new ATOM 0 HG3 GLU A 67 -2.734 -1.290 -9.135 1.00 0.29 H new ATOM 991 N PHE A 68 0.030 -0.262 -5.468 1.00 0.24 N ATOM 992 CA PHE A 68 0.686 0.143 -4.194 1.00 0.26 C ATOM 993 C PHE A 68 1.751 1.184 -4.519 1.00 0.24 C ATOM 994 O PHE A 68 1.959 2.126 -3.781 1.00 0.27 O ATOM 995 CB PHE A 68 1.326 -1.071 -3.499 1.00 0.25 C ATOM 996 CG PHE A 68 1.699 -0.697 -2.084 1.00 0.20 C ATOM 997 CD1 PHE A 68 0.723 -0.709 -1.079 1.00 0.15 C ATOM 998 CD2 PHE A 68 3.015 -0.335 -1.776 1.00 0.20 C ATOM 999 CE1 PHE A 68 1.067 -0.360 0.234 1.00 0.10 C ATOM 1000 CE2 PHE A 68 3.356 0.015 -0.461 1.00 0.18 C ATOM 1001 CZ PHE A 68 2.380 0.001 0.541 1.00 0.12 C ATOM 0 H PHE A 68 0.177 -1.231 -5.749 1.00 0.24 H new ATOM 0 HA PHE A 68 -0.057 0.560 -3.514 1.00 0.26 H new ATOM 0 HB2 PHE A 68 0.630 -1.910 -3.494 1.00 0.25 H new ATOM 0 HB3 PHE A 68 2.211 -1.394 -4.047 1.00 0.25 H new ATOM 0 HD1 PHE A 68 -0.293 -0.987 -1.316 1.00 0.15 H new ATOM 0 HD2 PHE A 68 3.768 -0.325 -2.550 1.00 0.20 H new ATOM 0 HE1 PHE A 68 0.315 -0.370 1.009 1.00 0.10 H new ATOM 0 HE2 PHE A 68 4.371 0.295 -0.222 1.00 0.18 H new ATOM 0 HZ PHE A 68 2.643 0.270 1.553 1.00 0.12 H new ATOM 1011 N LEU A 69 2.416 1.037 -5.636 1.00 0.21 N ATOM 1012 CA LEU A 69 3.449 2.040 -6.014 1.00 0.21 C ATOM 1013 C LEU A 69 2.757 3.360 -6.366 1.00 0.20 C ATOM 1014 O LEU A 69 3.324 4.423 -6.213 1.00 0.20 O ATOM 1015 CB LEU A 69 4.251 1.555 -7.231 1.00 0.20 C ATOM 1016 CG LEU A 69 5.013 0.261 -6.907 1.00 0.14 C ATOM 1017 CD1 LEU A 69 5.876 -0.116 -8.115 1.00 0.22 C ATOM 1018 CD2 LEU A 69 5.919 0.458 -5.677 1.00 0.07 C ATOM 0 H LEU A 69 2.288 0.271 -6.297 1.00 0.21 H new ATOM 0 HA LEU A 69 4.130 2.179 -5.175 1.00 0.21 H new ATOM 0 HB2 LEU A 69 3.577 1.384 -8.071 1.00 0.20 H new ATOM 0 HB3 LEU A 69 4.955 2.328 -7.539 1.00 0.20 H new ATOM 0 HG LEU A 69 4.296 -0.530 -6.687 1.00 0.14 H new ATOM 0 HD11 LEU A 69 6.423 -1.034 -7.899 1.00 0.22 H new ATOM 0 HD12 LEU A 69 5.237 -0.271 -8.985 1.00 0.22 H new ATOM 0 HD13 LEU A 69 6.583 0.688 -8.322 1.00 0.22 H new ATOM 0 HD21 LEU A 69 6.450 -0.470 -5.464 1.00 0.07 H new ATOM 0 HD22 LEU A 69 6.640 1.250 -5.879 1.00 0.07 H new ATOM 0 HD23 LEU A 69 5.309 0.733 -4.816 1.00 0.07 H new ATOM 1030 N THR A 70 1.533 3.309 -6.827 1.00 0.20 N ATOM 1031 CA THR A 70 0.828 4.576 -7.167 1.00 0.21 C ATOM 1032 C THR A 70 0.551 5.337 -5.873 1.00 0.32 C ATOM 1033 O THR A 70 0.552 6.545 -5.845 1.00 0.39 O ATOM 1034 CB THR A 70 -0.496 4.284 -7.889 1.00 0.26 C ATOM 1035 OG1 THR A 70 -0.219 3.784 -9.190 1.00 0.30 O ATOM 1036 CG2 THR A 70 -1.315 5.577 -8.002 1.00 0.37 C ATOM 0 H THR A 70 0.998 2.454 -6.980 1.00 0.20 H new ATOM 0 HA THR A 70 1.454 5.171 -7.832 1.00 0.21 H new ATOM 0 HB THR A 70 -1.064 3.544 -7.325 1.00 0.26 H new ATOM 0 HG1 THR A 70 -1.061 3.595 -9.654 1.00 0.30 H new ATOM 0 HG21 THR A 70 -2.254 5.369 -8.514 1.00 0.37 H new ATOM 0 HG22 THR A 70 -1.524 5.964 -7.005 1.00 0.37 H new ATOM 0 HG23 THR A 70 -0.749 6.318 -8.567 1.00 0.37 H new ATOM 1044 N MET A 71 0.324 4.638 -4.798 1.00 0.36 N ATOM 1045 CA MET A 71 0.057 5.349 -3.512 1.00 0.49 C ATOM 1046 C MET A 71 1.351 6.008 -3.048 1.00 0.54 C ATOM 1047 O MET A 71 1.362 7.144 -2.619 1.00 0.62 O ATOM 1048 CB MET A 71 -0.437 4.365 -2.426 1.00 0.65 C ATOM 1049 CG MET A 71 -1.889 3.898 -2.707 1.00 0.54 C ATOM 1050 SD MET A 71 -2.810 3.798 -1.144 1.00 0.51 S ATOM 1051 CE MET A 71 -3.729 2.277 -1.494 1.00 0.44 C ATOM 0 H MET A 71 0.311 3.619 -4.750 1.00 0.36 H new ATOM 0 HA MET A 71 -0.721 6.096 -3.672 1.00 0.49 H new ATOM 0 HB2 MET A 71 0.225 3.500 -2.388 1.00 0.65 H new ATOM 0 HB3 MET A 71 -0.390 4.845 -1.449 1.00 0.65 H new ATOM 0 HG2 MET A 71 -2.381 4.594 -3.387 1.00 0.54 H new ATOM 0 HG3 MET A 71 -1.880 2.925 -3.199 1.00 0.54 H new ATOM 0 HE1 MET A 71 -4.646 2.262 -0.905 1.00 0.44 H new ATOM 0 HE2 MET A 71 -3.978 2.238 -2.554 1.00 0.44 H new ATOM 0 HE3 MET A 71 -3.117 1.414 -1.233 1.00 0.44 H new ATOM 1061 N MET A 72 2.445 5.308 -3.137 1.00 0.54 N ATOM 1062 CA MET A 72 3.739 5.904 -2.707 1.00 0.66 C ATOM 1063 C MET A 72 4.169 6.972 -3.718 1.00 0.69 C ATOM 1064 O MET A 72 4.759 7.970 -3.360 1.00 0.84 O ATOM 1065 CB MET A 72 4.810 4.801 -2.626 1.00 0.62 C ATOM 1066 CG MET A 72 4.765 4.132 -1.249 1.00 1.14 C ATOM 1067 SD MET A 72 5.335 5.308 0.005 1.00 2.05 S ATOM 1068 CE MET A 72 5.721 4.094 1.280 1.00 0.67 C ATOM 0 H MET A 72 2.500 4.352 -3.488 1.00 0.54 H new ATOM 0 HA MET A 72 3.622 6.364 -1.726 1.00 0.66 H new ATOM 0 HB2 MET A 72 4.640 4.059 -3.406 1.00 0.62 H new ATOM 0 HB3 MET A 72 5.798 5.227 -2.801 1.00 0.62 H new ATOM 0 HG2 MET A 72 3.750 3.805 -1.023 1.00 1.14 H new ATOM 0 HG3 MET A 72 5.395 3.242 -1.243 1.00 1.14 H new ATOM 0 HE1 MET A 72 6.275 4.576 2.085 1.00 0.67 H new ATOM 0 HE2 MET A 72 4.796 3.676 1.676 1.00 0.67 H new ATOM 0 HE3 MET A 72 6.326 3.295 0.851 1.00 0.67 H new ATOM 1078 N ALA A 73 3.889 6.778 -4.978 1.00 0.57 N ATOM 1079 CA ALA A 73 4.295 7.795 -5.983 1.00 0.65 C ATOM 1080 C ALA A 73 3.376 9.015 -5.869 1.00 0.75 C ATOM 1081 O ALA A 73 3.826 10.141 -5.930 1.00 0.73 O ATOM 1082 CB ALA A 73 4.228 7.192 -7.398 1.00 0.66 C ATOM 0 H ALA A 73 3.400 5.964 -5.351 1.00 0.57 H new ATOM 0 HA ALA A 73 5.322 8.108 -5.794 1.00 0.65 H new ATOM 0 HB1 ALA A 73 4.527 7.944 -8.128 1.00 0.66 H new ATOM 0 HB2 ALA A 73 4.901 6.337 -7.461 1.00 0.66 H new ATOM 0 HB3 ALA A 73 3.209 6.868 -7.607 1.00 0.66 H new ATOM 1088 N ARG A 74 2.094 8.814 -5.698 1.00 0.86 N ATOM 1089 CA ARG A 74 1.186 9.983 -5.578 1.00 0.98 C ATOM 1090 C ARG A 74 1.463 10.697 -4.253 1.00 0.90 C ATOM 1091 O ARG A 74 1.278 11.890 -4.120 1.00 0.90 O ATOM 1092 CB ARG A 74 -0.274 9.503 -5.704 1.00 1.25 C ATOM 1093 CG ARG A 74 -0.911 9.161 -4.335 1.00 1.23 C ATOM 1094 CD ARG A 74 -1.630 10.396 -3.782 1.00 2.00 C ATOM 1095 NE ARG A 74 -1.735 10.301 -2.291 1.00 3.56 N ATOM 1096 CZ ARG A 74 -2.253 9.250 -1.713 1.00 4.61 C ATOM 1097 NH1 ARG A 74 -2.870 8.343 -2.416 1.00 4.67 N ATOM 1098 NH2 ARG A 74 -2.204 9.138 -0.412 1.00 5.96 N ATOM 0 H ARG A 74 1.645 7.900 -5.637 1.00 0.86 H new ATOM 0 HA ARG A 74 1.362 10.702 -6.378 1.00 0.98 H new ATOM 0 HB2 ARG A 74 -0.866 10.277 -6.192 1.00 1.25 H new ATOM 0 HB3 ARG A 74 -0.309 8.623 -6.346 1.00 1.25 H new ATOM 0 HG2 ARG A 74 -1.615 8.336 -4.446 1.00 1.23 H new ATOM 0 HG3 ARG A 74 -0.142 8.832 -3.636 1.00 1.23 H new ATOM 0 HD2 ARG A 74 -1.086 11.299 -4.060 1.00 2.00 H new ATOM 0 HD3 ARG A 74 -2.625 10.475 -4.221 1.00 2.00 H new ATOM 0 HE ARG A 74 -1.396 11.072 -1.716 1.00 3.56 H new ATOM 0 HH11 ARG A 74 -2.952 8.450 -3.427 1.00 4.67 H new ATOM 0 HH12 ARG A 74 -3.271 7.526 -1.955 1.00 4.67 H new ATOM 0 HH21 ARG A 74 -1.763 9.869 0.147 1.00 5.96 H new ATOM 0 HH22 ARG A 74 -2.607 8.320 0.045 1.00 5.96 H new ATOM 1112 N LYS A 75 1.925 9.965 -3.278 1.00 0.85 N ATOM 1113 CA LYS A 75 2.245 10.582 -1.959 1.00 0.81 C ATOM 1114 C LYS A 75 3.619 11.241 -2.039 1.00 0.65 C ATOM 1115 O LYS A 75 3.818 12.365 -1.626 1.00 0.59 O ATOM 1116 CB LYS A 75 2.266 9.495 -0.879 1.00 0.83 C ATOM 1117 CG LYS A 75 0.835 9.147 -0.467 1.00 0.97 C ATOM 1118 CD LYS A 75 0.853 8.024 0.580 1.00 1.59 C ATOM 1119 CE LYS A 75 1.578 8.491 1.850 1.00 1.40 C ATOM 1120 NZ LYS A 75 1.087 7.704 3.016 1.00 1.65 N ATOM 0 H LYS A 75 2.096 8.961 -3.338 1.00 0.85 H new ATOM 0 HA LYS A 75 1.491 11.328 -1.708 1.00 0.81 H new ATOM 0 HB2 LYS A 75 2.773 8.606 -1.255 1.00 0.83 H new ATOM 0 HB3 LYS A 75 2.830 9.841 -0.013 1.00 0.83 H new ATOM 0 HG2 LYS A 75 0.340 10.028 -0.060 1.00 0.97 H new ATOM 0 HG3 LYS A 75 0.262 8.834 -1.340 1.00 0.97 H new ATOM 0 HD2 LYS A 75 -0.167 7.728 0.824 1.00 1.59 H new ATOM 0 HD3 LYS A 75 1.351 7.145 0.171 1.00 1.59 H new ATOM 0 HE2 LYS A 75 2.654 8.361 1.737 1.00 1.40 H new ATOM 0 HE3 LYS A 75 1.401 9.554 2.014 1.00 1.40 H new ATOM 0 HZ1 LYS A 75 1.360 8.183 3.898 1.00 1.65 H new ATOM 0 HZ2 LYS A 75 0.051 7.626 2.971 1.00 1.65 H new ATOM 0 HZ3 LYS A 75 1.507 6.753 2.995 1.00 1.65 H new ATOM 1134 N MET A 76 4.587 10.457 -2.434 1.00 0.50 N ATOM 1135 CA MET A 76 6.010 10.912 -2.433 1.00 0.32 C ATOM 1136 C MET A 76 6.173 12.227 -3.188 1.00 0.19 C ATOM 1137 O MET A 76 6.708 13.178 -2.655 1.00 1.15 O ATOM 1138 CB MET A 76 6.887 9.798 -3.027 1.00 0.44 C ATOM 1139 CG MET A 76 6.841 8.587 -2.092 1.00 0.34 C ATOM 1140 SD MET A 76 8.188 8.712 -0.890 1.00 1.01 S ATOM 1141 CE MET A 76 8.707 6.985 -0.969 1.00 0.93 C ATOM 0 H MET A 76 4.449 9.502 -2.764 1.00 0.50 H new ATOM 0 HA MET A 76 6.329 11.106 -1.409 1.00 0.32 H new ATOM 0 HB2 MET A 76 6.529 9.523 -4.019 1.00 0.44 H new ATOM 0 HB3 MET A 76 7.913 10.147 -3.144 1.00 0.44 H new ATOM 0 HG2 MET A 76 5.881 8.546 -1.577 1.00 0.34 H new ATOM 0 HG3 MET A 76 6.934 7.665 -2.666 1.00 0.34 H new ATOM 0 HE1 MET A 76 9.201 6.711 -0.037 1.00 0.93 H new ATOM 0 HE2 MET A 76 7.834 6.349 -1.118 1.00 0.93 H new ATOM 0 HE3 MET A 76 9.400 6.851 -1.800 1.00 0.93 H new ATOM 1151 N LYS A 77 5.726 12.311 -4.407 1.00 1.30 N ATOM 1152 CA LYS A 77 5.874 13.598 -5.150 1.00 1.24 C ATOM 1153 C LYS A 77 5.617 14.773 -4.207 1.00 0.98 C ATOM 1154 O LYS A 77 6.189 15.839 -4.329 1.00 1.17 O ATOM 1155 CB LYS A 77 4.877 13.631 -6.314 1.00 1.79 C ATOM 1156 CG LYS A 77 3.488 14.052 -5.820 1.00 0.98 C ATOM 1157 CD LYS A 77 2.457 13.792 -6.921 1.00 1.33 C ATOM 1158 CE LYS A 77 1.130 14.452 -6.544 1.00 1.16 C ATOM 1159 NZ LYS A 77 1.239 15.928 -6.724 1.00 2.10 N ATOM 0 H LYS A 77 5.269 11.556 -4.919 1.00 1.30 H new ATOM 0 HA LYS A 77 6.888 13.677 -5.542 1.00 1.24 H new ATOM 0 HB2 LYS A 77 5.224 14.327 -7.078 1.00 1.79 H new ATOM 0 HB3 LYS A 77 4.821 12.647 -6.780 1.00 1.79 H new ATOM 0 HG2 LYS A 77 3.225 13.494 -4.921 1.00 0.98 H new ATOM 0 HG3 LYS A 77 3.490 15.108 -5.551 1.00 0.98 H new ATOM 0 HD2 LYS A 77 2.816 14.189 -7.871 1.00 1.33 H new ATOM 0 HD3 LYS A 77 2.316 12.720 -7.056 1.00 1.33 H new ATOM 0 HE2 LYS A 77 0.326 14.058 -7.166 1.00 1.16 H new ATOM 0 HE3 LYS A 77 0.877 14.219 -5.510 1.00 1.16 H new ATOM 0 HZ1 LYS A 77 0.287 16.342 -6.785 1.00 2.10 H new ATOM 0 HZ2 LYS A 77 1.744 16.340 -5.914 1.00 2.10 H new ATOM 0 HZ3 LYS A 77 1.763 16.133 -7.599 1.00 2.10 H new ATOM 1173 N ASP A 78 4.737 14.569 -3.292 1.00 2.65 N ATOM 1174 CA ASP A 78 4.368 15.642 -2.318 1.00 2.24 C ATOM 1175 C ASP A 78 5.618 16.305 -1.750 1.00 1.90 C ATOM 1176 O ASP A 78 5.691 17.507 -1.603 1.00 1.46 O ATOM 1177 CB ASP A 78 3.530 15.047 -1.183 1.00 2.30 C ATOM 1178 CG ASP A 78 2.902 16.178 -0.365 1.00 1.73 C ATOM 1179 OD1 ASP A 78 3.640 16.865 0.322 1.00 2.25 O ATOM 1180 OD2 ASP A 78 1.694 16.336 -0.438 1.00 1.30 O ATOM 0 H ASP A 78 4.238 13.689 -3.163 1.00 2.65 H new ATOM 0 HA ASP A 78 3.782 16.399 -2.840 1.00 2.24 H new ATOM 0 HB2 ASP A 78 2.751 14.403 -1.591 1.00 2.30 H new ATOM 0 HB3 ASP A 78 4.155 14.425 -0.543 1.00 2.30 H new ATOM 1185 N THR A 79 6.590 15.523 -1.438 1.00 2.18 N ATOM 1186 CA THR A 79 7.864 16.071 -0.877 1.00 1.95 C ATOM 1187 C THR A 79 8.846 16.336 -2.015 1.00 1.91 C ATOM 1188 O THR A 79 10.032 16.100 -1.898 1.00 1.97 O ATOM 1189 CB THR A 79 8.476 15.063 0.104 1.00 2.24 C ATOM 1190 OG1 THR A 79 9.774 15.506 0.478 1.00 2.06 O ATOM 1191 CG2 THR A 79 8.577 13.678 -0.551 1.00 2.57 C ATOM 0 H THR A 79 6.570 14.509 -1.544 1.00 2.18 H new ATOM 0 HA THR A 79 7.655 17.002 -0.350 1.00 1.95 H new ATOM 0 HB THR A 79 7.839 14.990 0.986 1.00 2.24 H new ATOM 0 HG1 THR A 79 10.350 15.536 -0.314 1.00 2.06 H new ATOM 0 HG21 THR A 79 9.013 12.972 0.156 1.00 2.57 H new ATOM 0 HG22 THR A 79 7.582 13.337 -0.837 1.00 2.57 H new ATOM 0 HG23 THR A 79 9.208 13.740 -1.438 1.00 2.57 H new ATOM 1199 N ASP A 80 8.347 16.827 -3.110 1.00 1.88 N ATOM 1200 CA ASP A 80 9.218 17.130 -4.286 1.00 1.85 C ATOM 1201 C ASP A 80 10.515 17.785 -3.823 1.00 1.54 C ATOM 1202 O ASP A 80 10.637 18.242 -2.705 1.00 1.30 O ATOM 1203 CB ASP A 80 8.479 18.078 -5.238 1.00 1.86 C ATOM 1204 CG ASP A 80 7.920 19.270 -4.457 1.00 2.21 C ATOM 1205 OD1 ASP A 80 7.693 19.125 -3.271 1.00 3.60 O ATOM 1206 OD2 ASP A 80 7.723 20.310 -5.066 1.00 1.78 O ATOM 0 H ASP A 80 7.358 17.036 -3.247 1.00 1.88 H new ATOM 0 HA ASP A 80 9.454 16.200 -4.803 1.00 1.85 H new ATOM 0 HB2 ASP A 80 9.158 18.428 -6.016 1.00 1.86 H new ATOM 0 HB3 ASP A 80 7.669 17.547 -5.737 1.00 1.86 H new ATOM 1211 N SER A 81 11.474 17.841 -4.693 1.00 1.58 N ATOM 1212 CA SER A 81 12.768 18.472 -4.344 1.00 1.30 C ATOM 1213 C SER A 81 12.574 19.965 -4.475 1.00 1.01 C ATOM 1214 O SER A 81 13.307 20.775 -3.943 1.00 0.74 O ATOM 1215 CB SER A 81 13.840 17.982 -5.311 1.00 1.44 C ATOM 1216 OG SER A 81 14.873 18.955 -5.404 1.00 0.96 O ATOM 0 H SER A 81 11.417 17.472 -5.642 1.00 1.58 H new ATOM 0 HA SER A 81 13.084 18.218 -3.332 1.00 1.30 H new ATOM 0 HB2 SER A 81 14.250 17.033 -4.966 1.00 1.44 H new ATOM 0 HB3 SER A 81 13.404 17.803 -6.294 1.00 1.44 H new ATOM 0 HG SER A 81 15.564 18.641 -6.024 1.00 0.96 H new ATOM 1222 N GLU A 82 11.562 20.312 -5.201 1.00 1.17 N ATOM 1223 CA GLU A 82 11.229 21.739 -5.426 1.00 1.13 C ATOM 1224 C GLU A 82 10.880 22.403 -4.089 1.00 0.86 C ATOM 1225 O GLU A 82 11.382 23.455 -3.753 1.00 0.87 O ATOM 1226 CB GLU A 82 10.032 21.796 -6.401 1.00 1.51 C ATOM 1227 CG GLU A 82 10.503 22.176 -7.810 1.00 1.98 C ATOM 1228 CD GLU A 82 9.322 22.108 -8.781 1.00 2.33 C ATOM 1229 OE1 GLU A 82 8.253 22.569 -8.416 1.00 1.64 O ATOM 1230 OE2 GLU A 82 9.509 21.597 -9.873 1.00 3.51 O ATOM 0 H GLU A 82 10.934 19.652 -5.661 1.00 1.17 H new ATOM 0 HA GLU A 82 12.076 22.275 -5.854 1.00 1.13 H new ATOM 0 HB2 GLU A 82 9.531 20.828 -6.428 1.00 1.51 H new ATOM 0 HB3 GLU A 82 9.302 22.524 -6.047 1.00 1.51 H new ATOM 0 HG2 GLU A 82 10.925 23.181 -7.805 1.00 1.98 H new ATOM 0 HG3 GLU A 82 11.294 21.500 -8.135 1.00 1.98 H new ATOM 1237 N GLU A 83 10.023 21.791 -3.334 1.00 0.67 N ATOM 1238 CA GLU A 83 9.625 22.371 -2.018 1.00 0.47 C ATOM 1239 C GLU A 83 10.825 22.374 -1.072 1.00 0.29 C ATOM 1240 O GLU A 83 10.856 23.092 -0.094 1.00 0.44 O ATOM 1241 CB GLU A 83 8.483 21.540 -1.403 1.00 0.31 C ATOM 1242 CG GLU A 83 7.138 21.987 -1.989 1.00 0.58 C ATOM 1243 CD GLU A 83 6.004 21.218 -1.307 1.00 0.60 C ATOM 1244 OE1 GLU A 83 5.551 21.668 -0.267 1.00 0.99 O ATOM 1245 OE2 GLU A 83 5.609 20.190 -1.834 1.00 1.40 O ATOM 0 H GLU A 83 9.574 20.906 -3.568 1.00 0.67 H new ATOM 0 HA GLU A 83 9.282 23.394 -2.169 1.00 0.47 H new ATOM 0 HB2 GLU A 83 8.643 20.481 -1.604 1.00 0.31 H new ATOM 0 HB3 GLU A 83 8.476 21.661 -0.320 1.00 0.31 H new ATOM 0 HG2 GLU A 83 7.004 23.059 -1.843 1.00 0.58 H new ATOM 0 HG3 GLU A 83 7.119 21.806 -3.064 1.00 0.58 H new ATOM 1252 N GLU A 84 11.807 21.576 -1.353 1.00 0.20 N ATOM 1253 CA GLU A 84 12.999 21.527 -0.464 1.00 0.24 C ATOM 1254 C GLU A 84 13.896 22.738 -0.722 1.00 0.23 C ATOM 1255 O GLU A 84 14.595 23.200 0.159 1.00 0.32 O ATOM 1256 CB GLU A 84 13.783 20.239 -0.722 1.00 0.48 C ATOM 1257 CG GLU A 84 13.019 19.049 -0.137 1.00 0.72 C ATOM 1258 CD GLU A 84 13.815 17.762 -0.372 1.00 0.89 C ATOM 1259 OE1 GLU A 84 15.031 17.817 -0.285 1.00 1.96 O ATOM 1260 OE2 GLU A 84 13.193 16.746 -0.634 1.00 1.19 O ATOM 0 H GLU A 84 11.840 20.953 -2.160 1.00 0.20 H new ATOM 0 HA GLU A 84 12.668 21.546 0.574 1.00 0.24 H new ATOM 0 HB2 GLU A 84 13.930 20.099 -1.793 1.00 0.48 H new ATOM 0 HB3 GLU A 84 14.773 20.307 -0.270 1.00 0.48 H new ATOM 0 HG2 GLU A 84 12.856 19.198 0.930 1.00 0.72 H new ATOM 0 HG3 GLU A 84 12.036 18.971 -0.602 1.00 0.72 H new ATOM 1267 N ILE A 85 13.885 23.265 -1.917 1.00 0.22 N ATOM 1268 CA ILE A 85 14.749 24.446 -2.201 1.00 0.32 C ATOM 1269 C ILE A 85 14.110 25.708 -1.606 1.00 0.37 C ATOM 1270 O ILE A 85 14.778 26.510 -0.984 1.00 0.42 O ATOM 1271 CB ILE A 85 14.954 24.630 -3.720 1.00 0.30 C ATOM 1272 CG1 ILE A 85 15.954 23.572 -4.225 1.00 0.27 C ATOM 1273 CG2 ILE A 85 15.507 26.045 -3.983 1.00 0.35 C ATOM 1274 CD1 ILE A 85 16.239 23.767 -5.718 1.00 0.23 C ATOM 0 H ILE A 85 13.322 22.933 -2.700 1.00 0.22 H new ATOM 0 HA ILE A 85 15.724 24.277 -1.743 1.00 0.32 H new ATOM 0 HB ILE A 85 14.007 24.509 -4.246 1.00 0.30 H new ATOM 0 HG12 ILE A 85 16.883 23.643 -3.660 1.00 0.27 H new ATOM 0 HG13 ILE A 85 15.552 22.573 -4.053 1.00 0.27 H new ATOM 0 HG21 ILE A 85 15.655 26.185 -5.054 1.00 0.35 H new ATOM 0 HG22 ILE A 85 14.798 26.787 -3.615 1.00 0.35 H new ATOM 0 HG23 ILE A 85 16.459 26.165 -3.466 1.00 0.35 H new ATOM 0 HD11 ILE A 85 16.947 23.010 -6.055 1.00 0.23 H new ATOM 0 HD12 ILE A 85 15.311 23.672 -6.281 1.00 0.23 H new ATOM 0 HD13 ILE A 85 16.662 24.758 -5.881 1.00 0.23 H new ATOM 1286 N ARG A 86 12.831 25.911 -1.797 1.00 0.37 N ATOM 1287 CA ARG A 86 12.206 27.140 -1.238 1.00 0.42 C ATOM 1288 C ARG A 86 12.260 27.069 0.289 1.00 0.44 C ATOM 1289 O ARG A 86 12.637 28.019 0.946 1.00 0.44 O ATOM 1290 CB ARG A 86 10.747 27.259 -1.718 1.00 0.44 C ATOM 1291 CG ARG A 86 10.141 25.857 -1.900 1.00 2.05 C ATOM 1292 CD ARG A 86 8.588 25.924 -1.952 1.00 2.05 C ATOM 1293 NE ARG A 86 8.069 25.184 -3.153 1.00 2.90 N ATOM 1294 CZ ARG A 86 8.483 25.457 -4.363 1.00 3.26 C ATOM 1295 NH1 ARG A 86 9.304 26.450 -4.571 1.00 3.22 N ATOM 1296 NH2 ARG A 86 8.053 24.749 -5.373 1.00 4.10 N ATOM 0 H ARG A 86 12.204 25.289 -2.307 1.00 0.37 H new ATOM 0 HA ARG A 86 12.750 28.020 -1.582 1.00 0.42 H new ATOM 0 HB2 ARG A 86 10.162 27.827 -0.994 1.00 0.44 H new ATOM 0 HB3 ARG A 86 10.708 27.807 -2.660 1.00 0.44 H new ATOM 0 HG2 ARG A 86 10.520 25.409 -2.819 1.00 2.05 H new ATOM 0 HG3 ARG A 86 10.454 25.212 -1.079 1.00 2.05 H new ATOM 0 HD2 ARG A 86 8.169 25.493 -1.043 1.00 2.05 H new ATOM 0 HD3 ARG A 86 8.264 26.964 -1.990 1.00 2.05 H new ATOM 0 HE ARG A 86 7.375 24.449 -3.021 1.00 2.90 H new ATOM 0 HH11 ARG A 86 9.626 27.018 -3.787 1.00 3.22 H new ATOM 0 HH12 ARG A 86 9.623 26.658 -5.517 1.00 3.22 H new ATOM 0 HH21 ARG A 86 7.396 23.985 -5.217 1.00 4.10 H new ATOM 0 HH22 ARG A 86 8.375 24.960 -6.318 1.00 4.10 H new ATOM 1310 N GLU A 87 11.894 25.958 0.864 1.00 0.48 N ATOM 1311 CA GLU A 87 11.938 25.861 2.346 1.00 0.51 C ATOM 1312 C GLU A 87 13.380 26.062 2.818 1.00 0.51 C ATOM 1313 O GLU A 87 13.616 26.473 3.936 1.00 0.53 O ATOM 1314 CB GLU A 87 11.404 24.497 2.814 1.00 0.51 C ATOM 1315 CG GLU A 87 9.876 24.490 2.727 1.00 0.71 C ATOM 1316 CD GLU A 87 9.297 25.375 3.831 1.00 2.04 C ATOM 1317 OE1 GLU A 87 9.919 25.468 4.878 1.00 2.33 O ATOM 1318 OE2 GLU A 87 8.242 25.948 3.614 1.00 3.17 O ATOM 0 H GLU A 87 11.570 25.122 0.377 1.00 0.48 H new ATOM 0 HA GLU A 87 11.304 26.635 2.778 1.00 0.51 H new ATOM 0 HB2 GLU A 87 11.818 23.701 2.195 1.00 0.51 H new ATOM 0 HB3 GLU A 87 11.721 24.302 3.838 1.00 0.51 H new ATOM 0 HG2 GLU A 87 9.555 24.852 1.750 1.00 0.71 H new ATOM 0 HG3 GLU A 87 9.500 23.472 2.828 1.00 0.71 H new ATOM 1325 N ALA A 88 14.348 25.822 1.970 1.00 0.49 N ATOM 1326 CA ALA A 88 15.753 26.057 2.390 1.00 0.49 C ATOM 1327 C ALA A 88 16.018 27.547 2.269 1.00 0.49 C ATOM 1328 O ALA A 88 16.585 28.166 3.135 1.00 0.48 O ATOM 1329 CB ALA A 88 16.715 25.296 1.484 1.00 0.46 C ATOM 0 H ALA A 88 14.224 25.478 1.018 1.00 0.49 H new ATOM 0 HA ALA A 88 15.903 25.711 3.412 1.00 0.49 H new ATOM 0 HB1 ALA A 88 17.740 25.479 1.806 1.00 0.46 H new ATOM 0 HB2 ALA A 88 16.502 24.229 1.542 1.00 0.46 H new ATOM 0 HB3 ALA A 88 16.592 25.635 0.456 1.00 0.46 H new ATOM 1335 N PHE A 89 15.594 28.141 1.202 1.00 0.49 N ATOM 1336 CA PHE A 89 15.819 29.594 1.067 1.00 0.47 C ATOM 1337 C PHE A 89 15.076 30.288 2.210 1.00 0.50 C ATOM 1338 O PHE A 89 15.455 31.357 2.646 1.00 0.50 O ATOM 1339 CB PHE A 89 15.308 30.077 -0.300 1.00 0.46 C ATOM 1340 CG PHE A 89 16.401 29.920 -1.344 1.00 0.41 C ATOM 1341 CD1 PHE A 89 17.558 30.703 -1.260 1.00 0.37 C ATOM 1342 CD2 PHE A 89 16.264 28.990 -2.393 1.00 0.40 C ATOM 1343 CE1 PHE A 89 18.557 30.562 -2.212 1.00 0.33 C ATOM 1344 CE2 PHE A 89 17.292 28.857 -3.352 1.00 0.35 C ATOM 1345 CZ PHE A 89 18.437 29.658 -3.246 1.00 0.32 C ATOM 0 H PHE A 89 15.108 27.691 0.426 1.00 0.49 H new ATOM 0 HA PHE A 89 16.882 29.831 1.122 1.00 0.47 H new ATOM 0 HB2 PHE A 89 14.428 29.504 -0.593 1.00 0.46 H new ATOM 0 HB3 PHE A 89 15.001 31.121 -0.236 1.00 0.46 H new ATOM 0 HD1 PHE A 89 17.673 31.415 -0.456 1.00 0.37 H new ATOM 0 HD2 PHE A 89 15.375 28.380 -2.464 1.00 0.40 H new ATOM 0 HE1 PHE A 89 19.446 31.172 -2.142 1.00 0.33 H new ATOM 0 HE2 PHE A 89 17.197 28.145 -4.159 1.00 0.35 H new ATOM 0 HZ PHE A 89 19.227 29.567 -3.976 1.00 0.32 H new ATOM 1355 N ARG A 90 14.037 29.674 2.731 1.00 0.53 N ATOM 1356 CA ARG A 90 13.318 30.301 3.875 1.00 0.56 C ATOM 1357 C ARG A 90 14.229 30.206 5.099 1.00 0.49 C ATOM 1358 O ARG A 90 14.387 31.149 5.849 1.00 0.43 O ATOM 1359 CB ARG A 90 12.002 29.559 4.139 1.00 0.71 C ATOM 1360 CG ARG A 90 10.969 29.939 3.071 1.00 2.03 C ATOM 1361 CD ARG A 90 9.586 29.436 3.490 1.00 2.11 C ATOM 1362 NE ARG A 90 8.578 29.863 2.477 1.00 3.16 N ATOM 1363 CZ ARG A 90 7.395 29.312 2.458 1.00 3.66 C ATOM 1364 NH1 ARG A 90 7.096 28.377 3.319 1.00 3.71 N ATOM 1365 NH2 ARG A 90 6.513 29.695 1.578 1.00 4.53 N ATOM 0 H ARG A 90 13.664 28.779 2.415 1.00 0.53 H new ATOM 0 HA ARG A 90 13.081 31.342 3.655 1.00 0.56 H new ATOM 0 HB2 ARG A 90 12.172 28.482 4.127 1.00 0.71 H new ATOM 0 HB3 ARG A 90 11.624 29.811 5.130 1.00 0.71 H new ATOM 0 HG2 ARG A 90 10.949 31.021 2.939 1.00 2.03 H new ATOM 0 HG3 ARG A 90 11.249 29.506 2.110 1.00 2.03 H new ATOM 0 HD2 ARG A 90 9.593 28.350 3.577 1.00 2.11 H new ATOM 0 HD3 ARG A 90 9.324 29.833 4.471 1.00 2.11 H new ATOM 0 HE ARG A 90 8.814 30.587 1.798 1.00 3.16 H new ATOM 0 HH11 ARG A 90 7.787 28.077 4.007 1.00 3.71 H new ATOM 0 HH12 ARG A 90 6.171 27.947 3.304 1.00 3.71 H new ATOM 0 HH21 ARG A 90 6.748 30.425 0.905 1.00 4.53 H new ATOM 0 HH22 ARG A 90 5.588 29.265 1.562 1.00 4.53 H new ATOM 1379 N VAL A 91 14.863 29.078 5.278 1.00 0.51 N ATOM 1380 CA VAL A 91 15.808 28.912 6.424 1.00 0.47 C ATOM 1381 C VAL A 91 16.813 30.060 6.363 1.00 0.38 C ATOM 1382 O VAL A 91 17.532 30.334 7.304 1.00 0.30 O ATOM 1383 CB VAL A 91 16.568 27.565 6.261 1.00 0.52 C ATOM 1384 CG1 VAL A 91 17.976 27.631 6.877 1.00 0.48 C ATOM 1385 CG2 VAL A 91 15.781 26.431 6.934 1.00 0.60 C ATOM 0 H VAL A 91 14.767 28.259 4.677 1.00 0.51 H new ATOM 0 HA VAL A 91 15.272 28.915 7.373 1.00 0.47 H new ATOM 0 HB VAL A 91 16.665 27.372 5.193 1.00 0.52 H new ATOM 0 HG11 VAL A 91 18.477 26.672 6.744 1.00 0.48 H new ATOM 0 HG12 VAL A 91 18.553 28.413 6.383 1.00 0.48 H new ATOM 0 HG13 VAL A 91 17.898 27.855 7.941 1.00 0.48 H new ATOM 0 HG21 VAL A 91 16.322 25.492 6.814 1.00 0.60 H new ATOM 0 HG22 VAL A 91 15.664 26.649 7.995 1.00 0.60 H new ATOM 0 HG23 VAL A 91 14.798 26.345 6.471 1.00 0.60 H new ATOM 1395 N PHE A 92 16.915 30.676 5.222 1.00 0.40 N ATOM 1396 CA PHE A 92 17.924 31.748 5.017 1.00 0.32 C ATOM 1397 C PHE A 92 17.323 33.147 5.149 1.00 0.31 C ATOM 1398 O PHE A 92 18.029 34.133 5.216 1.00 0.26 O ATOM 1399 CB PHE A 92 18.523 31.495 3.630 1.00 0.39 C ATOM 1400 CG PHE A 92 19.755 30.655 3.792 1.00 0.40 C ATOM 1401 CD1 PHE A 92 19.686 29.246 3.777 1.00 0.45 C ATOM 1402 CD2 PHE A 92 20.967 31.299 3.975 1.00 0.37 C ATOM 1403 CE1 PHE A 92 20.846 28.497 3.950 1.00 0.49 C ATOM 1404 CE2 PHE A 92 22.135 30.547 4.144 1.00 0.40 C ATOM 1405 CZ PHE A 92 22.070 29.140 4.133 1.00 0.47 C ATOM 0 H PHE A 92 16.332 30.479 4.409 1.00 0.40 H new ATOM 0 HA PHE A 92 18.694 31.715 5.787 1.00 0.32 H new ATOM 0 HB2 PHE A 92 17.800 30.988 2.991 1.00 0.39 H new ATOM 0 HB3 PHE A 92 18.769 32.440 3.145 1.00 0.39 H new ATOM 0 HD1 PHE A 92 18.737 28.751 3.632 1.00 0.45 H new ATOM 0 HD2 PHE A 92 21.011 32.378 3.987 1.00 0.37 H new ATOM 0 HE1 PHE A 92 20.798 27.418 3.943 1.00 0.49 H new ATOM 0 HE2 PHE A 92 23.084 31.044 4.282 1.00 0.40 H new ATOM 0 HZ PHE A 92 22.970 28.558 4.267 1.00 0.47 H new ATOM 1415 N ASP A 93 16.047 33.234 5.243 1.00 0.39 N ATOM 1416 CA ASP A 93 15.386 34.563 5.428 1.00 0.47 C ATOM 1417 C ASP A 93 15.279 34.837 6.932 1.00 0.57 C ATOM 1418 O ASP A 93 14.214 34.780 7.517 1.00 0.68 O ATOM 1419 CB ASP A 93 13.986 34.532 4.807 1.00 0.64 C ATOM 1420 CG ASP A 93 13.262 35.844 5.118 1.00 0.77 C ATOM 1421 OD1 ASP A 93 13.917 36.766 5.577 1.00 1.47 O ATOM 1422 OD2 ASP A 93 12.066 35.906 4.888 1.00 0.95 O ATOM 0 H ASP A 93 15.409 32.439 5.201 1.00 0.39 H new ATOM 0 HA ASP A 93 15.968 35.347 4.942 1.00 0.47 H new ATOM 0 HB2 ASP A 93 14.058 34.390 3.729 1.00 0.64 H new ATOM 0 HB3 ASP A 93 13.420 33.689 5.202 1.00 0.64 H new ATOM 1427 N LYS A 94 16.392 35.112 7.561 1.00 0.63 N ATOM 1428 CA LYS A 94 16.403 35.368 9.033 1.00 0.81 C ATOM 1429 C LYS A 94 15.493 36.540 9.391 1.00 0.75 C ATOM 1430 O LYS A 94 15.093 36.706 10.527 1.00 0.95 O ATOM 1431 CB LYS A 94 17.828 35.689 9.473 1.00 1.01 C ATOM 1432 CG LYS A 94 18.688 34.427 9.387 1.00 1.16 C ATOM 1433 CD LYS A 94 20.171 34.809 9.441 1.00 1.82 C ATOM 1434 CE LYS A 94 20.457 35.577 10.735 1.00 2.87 C ATOM 1435 NZ LYS A 94 19.779 34.901 11.878 1.00 2.80 N ATOM 0 H LYS A 94 17.306 35.171 7.112 1.00 0.63 H new ATOM 0 HA LYS A 94 16.038 34.477 9.543 1.00 0.81 H new ATOM 0 HB2 LYS A 94 18.247 36.471 8.840 1.00 1.01 H new ATOM 0 HB3 LYS A 94 17.827 36.072 10.494 1.00 1.01 H new ATOM 0 HG2 LYS A 94 18.446 33.753 10.209 1.00 1.16 H new ATOM 0 HG3 LYS A 94 18.474 33.891 8.462 1.00 1.16 H new ATOM 0 HD2 LYS A 94 20.790 33.913 9.394 1.00 1.82 H new ATOM 0 HD3 LYS A 94 20.431 35.422 8.578 1.00 1.82 H new ATOM 0 HE2 LYS A 94 21.531 35.623 10.912 1.00 2.87 H new ATOM 0 HE3 LYS A 94 20.104 36.604 10.646 1.00 2.87 H new ATOM 0 HZ1 LYS A 94 20.289 35.114 12.759 1.00 2.80 H new ATOM 0 HZ2 LYS A 94 18.800 35.244 11.953 1.00 2.80 H new ATOM 0 HZ3 LYS A 94 19.775 33.873 11.721 1.00 2.80 H new ATOM 1449 N ASP A 95 15.182 37.359 8.436 1.00 0.55 N ATOM 1450 CA ASP A 95 14.311 38.550 8.709 1.00 0.49 C ATOM 1451 C ASP A 95 12.868 38.257 8.285 1.00 0.39 C ATOM 1452 O ASP A 95 12.028 39.136 8.283 1.00 0.48 O ATOM 1453 CB ASP A 95 14.832 39.736 7.904 1.00 0.62 C ATOM 1454 CG ASP A 95 14.079 41.004 8.317 1.00 1.20 C ATOM 1455 OD1 ASP A 95 13.043 41.273 7.733 1.00 1.99 O ATOM 1456 OD2 ASP A 95 14.554 41.686 9.213 1.00 1.57 O ATOM 0 H ASP A 95 15.490 37.263 7.468 1.00 0.55 H new ATOM 0 HA ASP A 95 14.332 38.774 9.775 1.00 0.49 H new ATOM 0 HB2 ASP A 95 15.901 39.863 8.074 1.00 0.62 H new ATOM 0 HB3 ASP A 95 14.699 39.552 6.838 1.00 0.62 H new ATOM 1461 N GLY A 96 12.571 37.040 7.931 1.00 0.47 N ATOM 1462 CA GLY A 96 11.177 36.703 7.515 1.00 0.79 C ATOM 1463 C GLY A 96 10.678 37.747 6.512 1.00 0.79 C ATOM 1464 O GLY A 96 9.522 38.120 6.510 1.00 0.88 O ATOM 0 H GLY A 96 13.230 36.262 7.911 1.00 0.47 H new ATOM 0 HA2 GLY A 96 11.150 35.710 7.067 1.00 0.79 H new ATOM 0 HA3 GLY A 96 10.522 36.677 8.386 1.00 0.79 H new ATOM 1468 N ASN A 97 11.552 38.229 5.669 1.00 0.69 N ATOM 1469 CA ASN A 97 11.149 39.264 4.663 1.00 0.68 C ATOM 1470 C ASN A 97 10.903 38.612 3.297 1.00 0.79 C ATOM 1471 O ASN A 97 9.908 38.883 2.652 1.00 1.28 O ATOM 1472 CB ASN A 97 12.271 40.297 4.528 1.00 0.56 C ATOM 1473 CG ASN A 97 11.766 41.505 3.738 1.00 0.66 C ATOM 1474 OD1 ASN A 97 11.604 41.434 2.535 1.00 0.72 O ATOM 1475 ND2 ASN A 97 11.508 42.621 4.364 1.00 1.49 N ATOM 0 H ASN A 97 12.533 37.951 5.631 1.00 0.69 H new ATOM 0 HA ASN A 97 10.231 39.746 4.999 1.00 0.68 H new ATOM 0 HB2 ASN A 97 12.610 40.611 5.515 1.00 0.56 H new ATOM 0 HB3 ASN A 97 13.129 39.853 4.023 1.00 0.56 H new ATOM 0 HD21 ASN A 97 11.171 43.431 3.844 1.00 1.49 H new ATOM 0 HD22 ASN A 97 11.643 42.683 5.373 1.00 1.49 H new ATOM 1482 N GLY A 98 11.792 37.755 2.847 1.00 0.34 N ATOM 1483 CA GLY A 98 11.609 37.082 1.520 1.00 0.41 C ATOM 1484 C GLY A 98 12.792 37.396 0.607 1.00 0.42 C ATOM 1485 O GLY A 98 12.846 36.957 -0.526 1.00 0.46 O ATOM 0 H GLY A 98 12.642 37.492 3.346 1.00 0.34 H new ATOM 0 HA2 GLY A 98 11.522 36.004 1.659 1.00 0.41 H new ATOM 0 HA3 GLY A 98 10.682 37.420 1.057 1.00 0.41 H new ATOM 1489 N TYR A 99 13.737 38.159 1.088 1.00 0.39 N ATOM 1490 CA TYR A 99 14.929 38.520 0.260 1.00 0.41 C ATOM 1491 C TYR A 99 16.208 38.277 1.063 1.00 0.42 C ATOM 1492 O TYR A 99 16.252 38.474 2.262 1.00 0.41 O ATOM 1493 CB TYR A 99 14.848 39.998 -0.121 1.00 0.48 C ATOM 1494 CG TYR A 99 13.683 40.217 -1.058 1.00 0.54 C ATOM 1495 CD1 TYR A 99 12.377 40.252 -0.552 1.00 1.21 C ATOM 1496 CD2 TYR A 99 13.907 40.385 -2.430 1.00 0.67 C ATOM 1497 CE1 TYR A 99 11.296 40.456 -1.419 1.00 1.32 C ATOM 1498 CE2 TYR A 99 12.825 40.590 -3.297 1.00 0.64 C ATOM 1499 CZ TYR A 99 11.520 40.623 -2.791 1.00 0.73 C ATOM 1500 OH TYR A 99 10.455 40.827 -3.645 1.00 0.83 O ATOM 0 H TYR A 99 13.735 38.553 2.029 1.00 0.39 H new ATOM 0 HA TYR A 99 14.944 37.905 -0.640 1.00 0.41 H new ATOM 0 HB2 TYR A 99 14.728 40.609 0.774 1.00 0.48 H new ATOM 0 HB3 TYR A 99 15.776 40.312 -0.599 1.00 0.48 H new ATOM 0 HD1 TYR A 99 12.204 40.122 0.506 1.00 1.21 H new ATOM 0 HD2 TYR A 99 14.914 40.357 -2.820 1.00 0.67 H new ATOM 0 HE1 TYR A 99 10.289 40.484 -1.029 1.00 1.32 H new ATOM 0 HE2 TYR A 99 12.998 40.722 -4.355 1.00 0.64 H new ATOM 0 HH TYR A 99 10.785 40.925 -4.562 1.00 0.83 H new ATOM 1510 N ILE A 100 17.261 37.884 0.397 1.00 0.43 N ATOM 1511 CA ILE A 100 18.570 37.658 1.089 1.00 0.46 C ATOM 1512 C ILE A 100 19.673 38.181 0.171 1.00 0.55 C ATOM 1513 O ILE A 100 19.446 38.427 -0.997 1.00 0.56 O ATOM 1514 CB ILE A 100 18.818 36.158 1.384 1.00 0.40 C ATOM 1515 CG1 ILE A 100 18.806 35.359 0.066 1.00 0.33 C ATOM 1516 CG2 ILE A 100 17.757 35.593 2.365 1.00 0.37 C ATOM 1517 CD1 ILE A 100 18.825 33.856 0.358 1.00 0.34 C ATOM 0 H ILE A 100 17.273 37.707 -0.608 1.00 0.43 H new ATOM 0 HA ILE A 100 18.561 38.179 2.046 1.00 0.46 H new ATOM 0 HB ILE A 100 19.795 36.059 1.858 1.00 0.40 H new ATOM 0 HG12 ILE A 100 17.918 35.613 -0.514 1.00 0.33 H new ATOM 0 HG13 ILE A 100 19.671 35.630 -0.540 1.00 0.33 H new ATOM 0 HG21 ILE A 100 17.959 34.538 2.552 1.00 0.37 H new ATOM 0 HG22 ILE A 100 17.801 36.143 3.305 1.00 0.37 H new ATOM 0 HG23 ILE A 100 16.764 35.700 1.928 1.00 0.37 H new ATOM 0 HD11 ILE A 100 18.816 33.303 -0.581 1.00 0.34 H new ATOM 0 HD12 ILE A 100 19.726 33.606 0.918 1.00 0.34 H new ATOM 0 HD13 ILE A 100 17.946 33.588 0.945 1.00 0.34 H new ATOM 1529 N SER A 101 20.864 38.354 0.670 1.00 0.64 N ATOM 1530 CA SER A 101 21.958 38.861 -0.206 1.00 0.74 C ATOM 1531 C SER A 101 22.468 37.718 -1.091 1.00 0.69 C ATOM 1532 O SER A 101 22.583 36.592 -0.651 1.00 0.63 O ATOM 1533 CB SER A 101 23.103 39.396 0.660 1.00 0.84 C ATOM 1534 OG SER A 101 23.654 38.329 1.420 1.00 0.83 O ATOM 0 H SER A 101 21.127 38.169 1.638 1.00 0.64 H new ATOM 0 HA SER A 101 21.580 39.666 -0.835 1.00 0.74 H new ATOM 0 HB2 SER A 101 23.872 39.844 0.031 1.00 0.84 H new ATOM 0 HB3 SER A 101 22.737 40.180 1.324 1.00 0.84 H new ATOM 0 HG SER A 101 23.042 38.097 2.149 1.00 0.83 H new ATOM 1540 N ALA A 102 22.754 37.998 -2.341 1.00 0.74 N ATOM 1541 CA ALA A 102 23.242 36.930 -3.270 1.00 0.69 C ATOM 1542 C ALA A 102 24.218 35.985 -2.562 1.00 0.68 C ATOM 1543 O ALA A 102 24.320 34.824 -2.895 1.00 0.63 O ATOM 1544 CB ALA A 102 23.953 37.580 -4.449 1.00 0.75 C ATOM 0 H ALA A 102 22.670 38.925 -2.759 1.00 0.74 H new ATOM 0 HA ALA A 102 22.383 36.352 -3.610 1.00 0.69 H new ATOM 0 HB1 ALA A 102 24.311 36.807 -5.129 1.00 0.75 H new ATOM 0 HB2 ALA A 102 23.259 38.235 -4.976 1.00 0.75 H new ATOM 0 HB3 ALA A 102 24.799 38.164 -4.087 1.00 0.75 H new ATOM 1550 N ALA A 103 24.942 36.466 -1.594 1.00 0.74 N ATOM 1551 CA ALA A 103 25.899 35.571 -0.886 1.00 0.75 C ATOM 1552 C ALA A 103 25.103 34.488 -0.170 1.00 0.69 C ATOM 1553 O ALA A 103 25.278 33.309 -0.405 1.00 0.63 O ATOM 1554 CB ALA A 103 26.710 36.377 0.128 1.00 0.82 C ATOM 0 H ALA A 103 24.915 37.431 -1.263 1.00 0.74 H new ATOM 0 HA ALA A 103 26.587 35.119 -1.600 1.00 0.75 H new ATOM 0 HB1 ALA A 103 27.408 35.717 0.643 1.00 0.82 H new ATOM 0 HB2 ALA A 103 27.265 37.160 -0.389 1.00 0.82 H new ATOM 0 HB3 ALA A 103 26.036 36.830 0.855 1.00 0.82 H new ATOM 1560 N GLU A 104 24.219 34.888 0.685 1.00 0.70 N ATOM 1561 CA GLU A 104 23.379 33.900 1.415 1.00 0.65 C ATOM 1562 C GLU A 104 22.661 33.024 0.382 1.00 0.57 C ATOM 1563 O GLU A 104 22.342 31.880 0.638 1.00 0.53 O ATOM 1564 CB GLU A 104 22.351 34.655 2.271 1.00 0.68 C ATOM 1565 CG GLU A 104 22.962 35.015 3.631 1.00 0.41 C ATOM 1566 CD GLU A 104 22.106 36.087 4.310 1.00 0.47 C ATOM 1567 OE1 GLU A 104 21.692 37.009 3.623 1.00 0.49 O ATOM 1568 OE2 GLU A 104 21.881 35.970 5.502 1.00 0.62 O ATOM 0 H GLU A 104 24.036 35.865 0.916 1.00 0.70 H new ATOM 0 HA GLU A 104 23.992 33.275 2.065 1.00 0.65 H new ATOM 0 HB2 GLU A 104 22.032 35.561 1.756 1.00 0.68 H new ATOM 0 HB3 GLU A 104 21.463 34.040 2.414 1.00 0.68 H new ATOM 0 HG2 GLU A 104 23.020 34.128 4.262 1.00 0.41 H new ATOM 0 HG3 GLU A 104 23.981 35.379 3.499 1.00 0.41 H new ATOM 1575 N LEU A 105 22.412 33.554 -0.787 1.00 0.54 N ATOM 1576 CA LEU A 105 21.727 32.754 -1.840 1.00 0.48 C ATOM 1577 C LEU A 105 22.692 31.704 -2.371 1.00 0.46 C ATOM 1578 O LEU A 105 22.378 30.533 -2.435 1.00 0.42 O ATOM 1579 CB LEU A 105 21.285 33.677 -2.979 1.00 0.48 C ATOM 1580 CG LEU A 105 20.563 32.864 -4.112 1.00 0.43 C ATOM 1581 CD1 LEU A 105 19.059 33.206 -4.219 1.00 0.40 C ATOM 1582 CD2 LEU A 105 21.212 33.158 -5.466 1.00 0.47 C ATOM 0 H LEU A 105 22.654 34.507 -1.056 1.00 0.54 H new ATOM 0 HA LEU A 105 20.849 32.264 -1.420 1.00 0.48 H new ATOM 0 HB2 LEU A 105 20.614 34.443 -2.592 1.00 0.48 H new ATOM 0 HB3 LEU A 105 22.152 34.192 -3.392 1.00 0.48 H new ATOM 0 HG LEU A 105 20.663 31.811 -3.849 1.00 0.43 H new ATOM 0 HD11 LEU A 105 18.608 32.617 -5.017 1.00 0.40 H new ATOM 0 HD12 LEU A 105 18.566 32.976 -3.275 1.00 0.40 H new ATOM 0 HD13 LEU A 105 18.942 34.267 -4.441 1.00 0.40 H new ATOM 0 HD21 LEU A 105 20.704 32.589 -6.244 1.00 0.47 H new ATOM 0 HD22 LEU A 105 21.132 34.223 -5.684 1.00 0.47 H new ATOM 0 HD23 LEU A 105 22.263 32.872 -5.435 1.00 0.47 H new ATOM 1594 N ARG A 106 23.871 32.107 -2.739 1.00 0.49 N ATOM 1595 CA ARG A 106 24.854 31.131 -3.244 1.00 0.49 C ATOM 1596 C ARG A 106 25.132 30.150 -2.109 1.00 0.50 C ATOM 1597 O ARG A 106 25.389 28.982 -2.322 1.00 0.47 O ATOM 1598 CB ARG A 106 26.115 31.919 -3.680 1.00 0.61 C ATOM 1599 CG ARG A 106 27.403 31.301 -3.113 1.00 1.31 C ATOM 1600 CD ARG A 106 28.653 32.012 -3.695 1.00 1.18 C ATOM 1601 NE ARG A 106 29.638 30.996 -4.191 1.00 1.86 N ATOM 1602 CZ ARG A 106 29.978 29.968 -3.458 1.00 2.88 C ATOM 1603 NH1 ARG A 106 29.518 29.838 -2.247 1.00 3.51 N ATOM 1604 NH2 ARG A 106 30.800 29.074 -3.939 1.00 3.59 N ATOM 0 H ARG A 106 24.193 33.075 -2.710 1.00 0.49 H new ATOM 0 HA ARG A 106 24.501 30.566 -4.107 1.00 0.49 H new ATOM 0 HB2 ARG A 106 26.171 31.940 -4.768 1.00 0.61 H new ATOM 0 HB3 ARG A 106 26.031 32.953 -3.345 1.00 0.61 H new ATOM 0 HG2 ARG A 106 27.404 31.384 -2.026 1.00 1.31 H new ATOM 0 HG3 ARG A 106 27.438 30.238 -3.352 1.00 1.31 H new ATOM 0 HD2 ARG A 106 28.359 32.673 -4.510 1.00 1.18 H new ATOM 0 HD3 ARG A 106 29.116 32.636 -2.930 1.00 1.18 H new ATOM 0 HE ARG A 106 30.050 31.109 -5.117 1.00 1.86 H new ATOM 0 HH11 ARG A 106 28.887 30.541 -1.863 1.00 3.51 H new ATOM 0 HH12 ARG A 106 29.789 29.033 -1.682 1.00 3.51 H new ATOM 0 HH21 ARG A 106 31.173 29.180 -4.882 1.00 3.59 H new ATOM 0 HH22 ARG A 106 31.068 28.270 -3.371 1.00 3.59 H new ATOM 1618 N HIS A 107 25.069 30.631 -0.900 1.00 0.56 N ATOM 1619 CA HIS A 107 25.310 29.761 0.273 1.00 0.59 C ATOM 1620 C HIS A 107 24.156 28.755 0.402 1.00 0.52 C ATOM 1621 O HIS A 107 24.368 27.584 0.648 1.00 0.52 O ATOM 1622 CB HIS A 107 25.400 30.649 1.520 1.00 0.67 C ATOM 1623 CG HIS A 107 26.221 29.965 2.578 1.00 0.76 C ATOM 1624 ND1 HIS A 107 27.567 29.682 2.403 1.00 0.79 N ATOM 1625 CD2 HIS A 107 25.901 29.505 3.825 1.00 0.87 C ATOM 1626 CE1 HIS A 107 28.002 29.075 3.522 1.00 0.90 C ATOM 1627 NE2 HIS A 107 27.025 28.943 4.422 1.00 0.96 N ATOM 0 H HIS A 107 24.858 31.603 -0.676 1.00 0.56 H new ATOM 0 HA HIS A 107 26.240 29.204 0.159 1.00 0.59 H new ATOM 0 HB2 HIS A 107 25.849 31.608 1.262 1.00 0.67 H new ATOM 0 HB3 HIS A 107 24.400 30.858 1.901 1.00 0.67 H new ATOM 0 HD2 HIS A 107 24.923 29.568 4.278 1.00 0.87 H new ATOM 0 HE1 HIS A 107 29.016 28.736 3.673 1.00 0.90 H new ATOM 0 HE2 HIS A 107 27.089 28.521 5.348 1.00 0.96 H new ATOM 1635 N VAL A 108 22.934 29.196 0.223 1.00 0.47 N ATOM 1636 CA VAL A 108 21.778 28.253 0.317 1.00 0.40 C ATOM 1637 C VAL A 108 21.987 27.133 -0.698 1.00 0.39 C ATOM 1638 O VAL A 108 21.668 25.985 -0.458 1.00 0.36 O ATOM 1639 CB VAL A 108 20.473 28.974 -0.063 1.00 0.36 C ATOM 1640 CG1 VAL A 108 19.312 27.958 -0.066 1.00 0.29 C ATOM 1641 CG2 VAL A 108 20.178 30.108 0.934 1.00 0.44 C ATOM 0 H VAL A 108 22.689 30.164 0.017 1.00 0.47 H new ATOM 0 HA VAL A 108 21.713 27.871 1.336 1.00 0.40 H new ATOM 0 HB VAL A 108 20.580 29.408 -1.057 1.00 0.36 H new ATOM 0 HG11 VAL A 108 18.385 28.465 -0.335 1.00 0.29 H new ATOM 0 HG12 VAL A 108 19.519 27.171 -0.792 1.00 0.29 H new ATOM 0 HG13 VAL A 108 19.210 27.519 0.926 1.00 0.29 H new ATOM 0 HG21 VAL A 108 19.252 30.609 0.652 1.00 0.44 H new ATOM 0 HG22 VAL A 108 20.075 29.693 1.937 1.00 0.44 H new ATOM 0 HG23 VAL A 108 20.997 30.827 0.921 1.00 0.44 H new ATOM 1651 N MET A 109 22.482 27.485 -1.858 1.00 0.41 N ATOM 1652 CA MET A 109 22.673 26.477 -2.933 1.00 0.41 C ATOM 1653 C MET A 109 23.877 25.563 -2.633 1.00 0.47 C ATOM 1654 O MET A 109 23.932 24.442 -3.094 1.00 0.52 O ATOM 1655 CB MET A 109 22.905 27.201 -4.267 1.00 0.43 C ATOM 1656 CG MET A 109 21.740 28.157 -4.556 1.00 0.38 C ATOM 1657 SD MET A 109 22.269 29.396 -5.764 1.00 0.44 S ATOM 1658 CE MET A 109 21.961 28.404 -7.245 1.00 0.23 C ATOM 0 H MET A 109 22.762 28.435 -2.103 1.00 0.41 H new ATOM 0 HA MET A 109 21.778 25.857 -2.988 1.00 0.41 H new ATOM 0 HB2 MET A 109 23.842 27.757 -4.230 1.00 0.43 H new ATOM 0 HB3 MET A 109 22.998 26.474 -5.073 1.00 0.43 H new ATOM 0 HG2 MET A 109 20.885 27.601 -4.939 1.00 0.38 H new ATOM 0 HG3 MET A 109 21.417 28.644 -3.636 1.00 0.38 H new ATOM 0 HE1 MET A 109 22.415 28.889 -8.109 1.00 0.23 H new ATOM 0 HE2 MET A 109 22.395 27.413 -7.116 1.00 0.23 H new ATOM 0 HE3 MET A 109 20.887 28.312 -7.404 1.00 0.23 H new ATOM 1668 N THR A 110 24.857 26.029 -1.890 1.00 0.50 N ATOM 1669 CA THR A 110 26.041 25.179 -1.609 1.00 0.57 C ATOM 1670 C THR A 110 25.672 24.084 -0.600 1.00 0.46 C ATOM 1671 O THR A 110 26.063 22.943 -0.747 1.00 0.64 O ATOM 1672 CB THR A 110 27.167 26.084 -1.060 1.00 0.63 C ATOM 1673 OG1 THR A 110 26.792 27.438 -1.241 1.00 0.64 O ATOM 1674 CG2 THR A 110 28.473 25.833 -1.814 1.00 0.84 C ATOM 0 H THR A 110 24.880 26.959 -1.472 1.00 0.50 H new ATOM 0 HA THR A 110 26.383 24.688 -2.520 1.00 0.57 H new ATOM 0 HB THR A 110 27.317 25.861 -0.004 1.00 0.63 H new ATOM 0 HG1 THR A 110 26.455 27.565 -2.152 1.00 0.64 H new ATOM 0 HG21 THR A 110 29.254 26.479 -1.414 1.00 0.84 H new ATOM 0 HG22 THR A 110 28.768 24.790 -1.694 1.00 0.84 H new ATOM 0 HG23 THR A 110 28.330 26.050 -2.872 1.00 0.84 H new ATOM 1682 N ASN A 111 24.920 24.407 0.415 1.00 0.41 N ATOM 1683 CA ASN A 111 24.541 23.359 1.401 1.00 0.69 C ATOM 1684 C ASN A 111 23.780 22.269 0.669 1.00 1.03 C ATOM 1685 O ASN A 111 24.196 21.130 0.599 1.00 1.75 O ATOM 1686 CB ASN A 111 23.654 23.966 2.490 1.00 1.00 C ATOM 1687 CG ASN A 111 24.505 24.839 3.414 1.00 0.98 C ATOM 1688 OD1 ASN A 111 25.108 24.348 4.345 1.00 1.08 O ATOM 1689 ND2 ASN A 111 24.576 26.124 3.194 1.00 2.48 N ATOM 0 H ASN A 111 24.555 25.341 0.603 1.00 0.41 H new ATOM 0 HA ASN A 111 25.434 22.945 1.869 1.00 0.69 H new ATOM 0 HB2 ASN A 111 22.861 24.562 2.038 1.00 1.00 H new ATOM 0 HB3 ASN A 111 23.171 23.175 3.063 1.00 1.00 H new ATOM 0 HD21 ASN A 111 25.139 26.716 3.805 1.00 2.48 H new ATOM 0 HD22 ASN A 111 24.069 26.536 2.411 1.00 2.48 H new ATOM 1696 N LEU A 112 22.672 22.628 0.115 1.00 0.70 N ATOM 1697 CA LEU A 112 21.851 21.637 -0.637 1.00 1.02 C ATOM 1698 C LEU A 112 22.664 21.068 -1.786 1.00 1.82 C ATOM 1699 O LEU A 112 22.337 20.042 -2.328 1.00 2.46 O ATOM 1700 CB LEU A 112 20.623 22.337 -1.230 1.00 0.64 C ATOM 1701 CG LEU A 112 19.451 22.333 -0.226 1.00 0.77 C ATOM 1702 CD1 LEU A 112 18.502 23.517 -0.506 1.00 0.96 C ATOM 1703 CD2 LEU A 112 18.677 21.009 -0.342 1.00 1.34 C ATOM 0 H LEU A 112 22.288 23.572 0.146 1.00 0.70 H new ATOM 0 HA LEU A 112 21.547 20.842 0.044 1.00 1.02 H new ATOM 0 HB2 LEU A 112 20.877 23.363 -1.495 1.00 0.64 H new ATOM 0 HB3 LEU A 112 20.322 21.835 -2.150 1.00 0.64 H new ATOM 0 HG LEU A 112 19.850 22.434 0.783 1.00 0.77 H new ATOM 0 HD11 LEU A 112 17.680 23.502 0.210 1.00 0.96 H new ATOM 0 HD12 LEU A 112 19.051 24.454 -0.409 1.00 0.96 H new ATOM 0 HD13 LEU A 112 18.104 23.433 -1.517 1.00 0.96 H new ATOM 0 HD21 LEU A 112 17.850 21.008 0.368 1.00 1.34 H new ATOM 0 HD22 LEU A 112 18.287 20.903 -1.354 1.00 1.34 H new ATOM 0 HD23 LEU A 112 19.345 20.176 -0.122 1.00 1.34 H new ATOM 1715 N GLY A 113 23.672 21.778 -2.158 1.00 1.99 N ATOM 1716 CA GLY A 113 24.555 21.393 -3.305 1.00 3.00 C ATOM 1717 C GLY A 113 24.697 19.876 -3.448 1.00 1.49 C ATOM 1718 O GLY A 113 25.752 19.324 -3.204 1.00 2.12 O ATOM 0 H GLY A 113 23.943 22.650 -1.703 1.00 1.99 H new ATOM 0 HA2 GLY A 113 24.148 21.806 -4.228 1.00 3.00 H new ATOM 0 HA3 GLY A 113 25.541 21.836 -3.166 1.00 3.00 H new ATOM 1722 N GLU A 114 23.655 19.193 -3.853 1.00 0.98 N ATOM 1723 CA GLU A 114 23.754 17.716 -4.023 1.00 1.82 C ATOM 1724 C GLU A 114 24.175 17.413 -5.452 1.00 1.93 C ATOM 1725 O GLU A 114 24.640 16.338 -5.773 1.00 3.62 O ATOM 1726 CB GLU A 114 22.397 17.056 -3.701 1.00 3.69 C ATOM 1727 CG GLU A 114 22.276 16.816 -2.194 1.00 4.40 C ATOM 1728 CD GLU A 114 20.964 16.083 -1.897 1.00 5.44 C ATOM 1729 OE1 GLU A 114 19.924 16.593 -2.282 1.00 4.84 O ATOM 1730 OE2 GLU A 114 21.022 15.026 -1.291 1.00 6.90 O ATOM 0 H GLU A 114 22.744 19.596 -4.072 1.00 0.98 H new ATOM 0 HA GLU A 114 24.498 17.311 -3.337 1.00 1.82 H new ATOM 0 HB2 GLU A 114 21.582 17.695 -4.042 1.00 3.69 H new ATOM 0 HB3 GLU A 114 22.307 16.111 -4.237 1.00 3.69 H new ATOM 0 HG2 GLU A 114 23.122 16.227 -1.840 1.00 4.40 H new ATOM 0 HG3 GLU A 114 22.303 17.766 -1.660 1.00 4.40 H new ATOM 1737 N LYS A 115 24.012 18.372 -6.293 1.00 0.75 N ATOM 1738 CA LYS A 115 24.386 18.220 -7.732 1.00 1.66 C ATOM 1739 C LYS A 115 24.601 19.594 -8.360 1.00 1.54 C ATOM 1740 O LYS A 115 24.060 19.900 -9.403 1.00 2.47 O ATOM 1741 CB LYS A 115 23.248 17.556 -8.485 1.00 2.63 C ATOM 1742 CG LYS A 115 23.015 16.139 -7.966 1.00 3.12 C ATOM 1743 CD LYS A 115 22.108 15.387 -8.941 1.00 4.01 C ATOM 1744 CE LYS A 115 21.695 14.047 -8.329 1.00 4.34 C ATOM 1745 NZ LYS A 115 20.625 13.431 -9.162 1.00 5.51 N ATOM 0 H LYS A 115 23.626 19.284 -6.051 1.00 0.75 H new ATOM 0 HA LYS A 115 25.296 17.622 -7.790 1.00 1.66 H new ATOM 0 HB2 LYS A 115 22.338 18.145 -8.372 1.00 2.63 H new ATOM 0 HB3 LYS A 115 23.478 17.526 -9.550 1.00 2.63 H new ATOM 0 HG2 LYS A 115 23.966 15.617 -7.860 1.00 3.12 H new ATOM 0 HG3 LYS A 115 22.557 16.172 -6.977 1.00 3.12 H new ATOM 0 HD2 LYS A 115 21.224 15.984 -9.165 1.00 4.01 H new ATOM 0 HD3 LYS A 115 22.629 15.222 -9.884 1.00 4.01 H new ATOM 0 HE2 LYS A 115 22.555 13.380 -8.272 1.00 4.34 H new ATOM 0 HE3 LYS A 115 21.338 14.195 -7.310 1.00 4.34 H new ATOM 0 HZ1 LYS A 115 20.343 12.520 -8.747 1.00 5.51 H new ATOM 0 HZ2 LYS A 115 19.802 14.066 -9.195 1.00 5.51 H new ATOM 0 HZ3 LYS A 115 20.982 13.277 -10.127 1.00 5.51 H new ATOM 1759 N LEU A 116 25.369 20.424 -7.726 1.00 0.56 N ATOM 1760 CA LEU A 116 25.617 21.802 -8.266 1.00 0.53 C ATOM 1761 C LEU A 116 27.089 22.185 -8.103 1.00 0.55 C ATOM 1762 O LEU A 116 27.684 21.989 -7.059 1.00 0.64 O ATOM 1763 CB LEU A 116 24.765 22.818 -7.494 1.00 0.71 C ATOM 1764 CG LEU A 116 23.271 22.488 -7.625 1.00 1.20 C ATOM 1765 CD1 LEU A 116 22.484 23.335 -6.625 1.00 1.92 C ATOM 1766 CD2 LEU A 116 22.780 22.794 -9.047 1.00 1.13 C ATOM 0 H LEU A 116 25.845 20.215 -6.848 1.00 0.56 H new ATOM 0 HA LEU A 116 25.353 21.808 -9.324 1.00 0.53 H new ATOM 0 HB2 LEU A 116 25.052 22.815 -6.442 1.00 0.71 H new ATOM 0 HB3 LEU A 116 24.955 23.822 -7.874 1.00 0.71 H new ATOM 0 HG LEU A 116 23.120 21.428 -7.421 1.00 1.20 H new ATOM 0 HD11 LEU A 116 21.422 23.107 -6.712 1.00 1.92 H new ATOM 0 HD12 LEU A 116 22.822 23.111 -5.613 1.00 1.92 H new ATOM 0 HD13 LEU A 116 22.646 24.392 -6.836 1.00 1.92 H new ATOM 0 HD21 LEU A 116 21.719 22.555 -9.125 1.00 1.13 H new ATOM 0 HD22 LEU A 116 22.931 23.851 -9.264 1.00 1.13 H new ATOM 0 HD23 LEU A 116 23.341 22.193 -9.763 1.00 1.13 H new ATOM 1778 N THR A 117 27.669 22.759 -9.128 1.00 0.61 N ATOM 1779 CA THR A 117 29.099 23.199 -9.067 1.00 0.62 C ATOM 1780 C THR A 117 29.135 24.731 -9.044 1.00 0.52 C ATOM 1781 O THR A 117 28.231 25.386 -9.521 1.00 0.55 O ATOM 1782 CB THR A 117 29.845 22.695 -10.304 1.00 0.64 C ATOM 1783 OG1 THR A 117 29.179 23.151 -11.475 1.00 0.56 O ATOM 1784 CG2 THR A 117 29.881 21.166 -10.295 1.00 0.74 C ATOM 0 H THR A 117 27.206 22.944 -10.018 1.00 0.61 H new ATOM 0 HA THR A 117 29.575 22.796 -8.173 1.00 0.62 H new ATOM 0 HB THR A 117 30.866 23.078 -10.294 1.00 0.64 H new ATOM 0 HG1 THR A 117 29.656 22.831 -12.269 1.00 0.56 H new ATOM 0 HG21 THR A 117 30.413 20.809 -11.177 1.00 0.74 H new ATOM 0 HG22 THR A 117 30.393 20.819 -9.398 1.00 0.74 H new ATOM 0 HG23 THR A 117 28.862 20.778 -10.304 1.00 0.74 H new ATOM 1792 N ASP A 118 30.164 25.307 -8.490 1.00 0.42 N ATOM 1793 CA ASP A 118 30.245 26.796 -8.433 1.00 0.33 C ATOM 1794 C ASP A 118 30.107 27.389 -9.841 1.00 0.31 C ATOM 1795 O ASP A 118 29.744 28.536 -10.004 1.00 0.26 O ATOM 1796 CB ASP A 118 31.593 27.209 -7.837 1.00 0.28 C ATOM 1797 CG ASP A 118 31.752 26.582 -6.450 1.00 0.27 C ATOM 1798 OD1 ASP A 118 31.757 25.366 -6.370 1.00 1.23 O ATOM 1799 OD2 ASP A 118 31.863 27.331 -5.493 1.00 1.25 O ATOM 0 H ASP A 118 30.953 24.813 -8.074 1.00 0.42 H new ATOM 0 HA ASP A 118 29.434 27.172 -7.809 1.00 0.33 H new ATOM 0 HB2 ASP A 118 32.405 26.886 -8.489 1.00 0.28 H new ATOM 0 HB3 ASP A 118 31.654 28.295 -7.766 1.00 0.28 H new ATOM 1804 N GLU A 119 30.397 26.625 -10.857 1.00 0.38 N ATOM 1805 CA GLU A 119 30.281 27.162 -12.245 1.00 0.38 C ATOM 1806 C GLU A 119 28.808 27.298 -12.634 1.00 0.38 C ATOM 1807 O GLU A 119 28.375 28.325 -13.114 1.00 0.34 O ATOM 1808 CB GLU A 119 30.979 26.216 -13.225 1.00 0.47 C ATOM 1809 CG GLU A 119 32.492 26.273 -13.002 1.00 0.53 C ATOM 1810 CD GLU A 119 32.832 25.668 -11.640 1.00 1.47 C ATOM 1811 OE1 GLU A 119 32.863 24.452 -11.546 1.00 1.78 O ATOM 1812 OE2 GLU A 119 33.055 26.429 -10.715 1.00 2.56 O ATOM 0 H GLU A 119 30.708 25.656 -10.789 1.00 0.38 H new ATOM 0 HA GLU A 119 30.755 28.143 -12.284 1.00 0.38 H new ATOM 0 HB2 GLU A 119 30.618 25.197 -13.083 1.00 0.47 H new ATOM 0 HB3 GLU A 119 30.741 26.498 -14.251 1.00 0.47 H new ATOM 0 HG2 GLU A 119 33.007 25.727 -13.793 1.00 0.53 H new ATOM 0 HG3 GLU A 119 32.838 27.305 -13.049 1.00 0.53 H new ATOM 1819 N GLU A 120 28.032 26.267 -12.433 1.00 0.43 N ATOM 1820 CA GLU A 120 26.588 26.344 -12.799 1.00 0.45 C ATOM 1821 C GLU A 120 25.950 27.548 -12.104 1.00 0.41 C ATOM 1822 O GLU A 120 25.119 28.234 -12.664 1.00 0.41 O ATOM 1823 CB GLU A 120 25.876 25.064 -12.357 1.00 0.51 C ATOM 1824 CG GLU A 120 26.224 23.922 -13.316 1.00 0.55 C ATOM 1825 CD GLU A 120 25.818 22.588 -12.685 1.00 0.59 C ATOM 1826 OE1 GLU A 120 25.326 22.609 -11.569 1.00 1.48 O ATOM 1827 OE2 GLU A 120 26.008 21.569 -13.327 1.00 0.80 O ATOM 0 H GLU A 120 28.334 25.378 -12.033 1.00 0.43 H new ATOM 0 HA GLU A 120 26.494 26.455 -13.879 1.00 0.45 H new ATOM 0 HB2 GLU A 120 26.174 24.803 -11.342 1.00 0.51 H new ATOM 0 HB3 GLU A 120 24.798 25.223 -12.342 1.00 0.51 H new ATOM 0 HG2 GLU A 120 25.708 24.060 -14.266 1.00 0.55 H new ATOM 0 HG3 GLU A 120 27.293 23.925 -13.531 1.00 0.55 H new ATOM 1834 N VAL A 121 26.333 27.808 -10.886 1.00 0.40 N ATOM 1835 CA VAL A 121 25.752 28.967 -10.152 1.00 0.38 C ATOM 1836 C VAL A 121 26.141 30.264 -10.858 1.00 0.33 C ATOM 1837 O VAL A 121 25.339 31.162 -11.020 1.00 0.32 O ATOM 1838 CB VAL A 121 26.281 28.975 -8.717 1.00 0.35 C ATOM 1839 CG1 VAL A 121 25.808 30.243 -8.005 1.00 0.37 C ATOM 1840 CG2 VAL A 121 25.752 27.745 -7.974 1.00 0.37 C ATOM 0 H VAL A 121 27.024 27.268 -10.366 1.00 0.40 H new ATOM 0 HA VAL A 121 24.665 28.883 -10.134 1.00 0.38 H new ATOM 0 HB VAL A 121 27.371 28.952 -8.731 1.00 0.35 H new ATOM 0 HG11 VAL A 121 26.185 30.248 -6.982 1.00 0.37 H new ATOM 0 HG12 VAL A 121 26.183 31.119 -8.535 1.00 0.37 H new ATOM 0 HG13 VAL A 121 24.718 30.267 -7.990 1.00 0.37 H new ATOM 0 HG21 VAL A 121 26.128 27.748 -6.951 1.00 0.37 H new ATOM 0 HG22 VAL A 121 24.662 27.769 -7.960 1.00 0.37 H new ATOM 0 HG23 VAL A 121 26.089 26.841 -8.481 1.00 0.37 H new ATOM 1850 N ASP A 122 27.364 30.362 -11.284 1.00 0.29 N ATOM 1851 CA ASP A 122 27.813 31.596 -11.991 1.00 0.24 C ATOM 1852 C ASP A 122 26.919 31.828 -13.211 1.00 0.23 C ATOM 1853 O ASP A 122 26.613 32.950 -13.564 1.00 0.23 O ATOM 1854 CB ASP A 122 29.266 31.431 -12.445 1.00 0.25 C ATOM 1855 CG ASP A 122 30.201 31.587 -11.245 1.00 0.34 C ATOM 1856 OD1 ASP A 122 29.893 31.035 -10.202 1.00 1.21 O ATOM 1857 OD2 ASP A 122 31.210 32.258 -11.388 1.00 1.10 O ATOM 0 H ASP A 122 28.077 29.641 -11.175 1.00 0.29 H new ATOM 0 HA ASP A 122 27.744 32.449 -11.316 1.00 0.24 H new ATOM 0 HB2 ASP A 122 29.405 30.451 -12.902 1.00 0.25 H new ATOM 0 HB3 ASP A 122 29.507 32.174 -13.205 1.00 0.25 H new ATOM 1862 N GLU A 123 26.489 30.774 -13.850 1.00 0.25 N ATOM 1863 CA GLU A 123 25.603 30.937 -15.037 1.00 0.28 C ATOM 1864 C GLU A 123 24.228 31.394 -14.543 1.00 0.24 C ATOM 1865 O GLU A 123 23.576 32.218 -15.151 1.00 0.30 O ATOM 1866 CB GLU A 123 25.476 29.595 -15.781 1.00 0.39 C ATOM 1867 CG GLU A 123 26.636 29.429 -16.774 1.00 1.36 C ATOM 1868 CD GLU A 123 26.716 27.968 -17.223 1.00 1.98 C ATOM 1869 OE1 GLU A 123 25.718 27.462 -17.708 1.00 1.66 O ATOM 1870 OE2 GLU A 123 27.775 27.381 -17.075 1.00 3.25 O ATOM 0 H GLU A 123 26.712 29.810 -13.602 1.00 0.25 H new ATOM 0 HA GLU A 123 26.020 31.674 -15.724 1.00 0.28 H new ATOM 0 HB2 GLU A 123 25.479 28.772 -15.066 1.00 0.39 H new ATOM 0 HB3 GLU A 123 24.525 29.553 -16.311 1.00 0.39 H new ATOM 0 HG2 GLU A 123 26.486 30.078 -17.637 1.00 1.36 H new ATOM 0 HG3 GLU A 123 27.574 29.729 -16.308 1.00 1.36 H new ATOM 1877 N MET A 124 23.794 30.866 -13.433 1.00 0.22 N ATOM 1878 CA MET A 124 22.475 31.264 -12.874 1.00 0.18 C ATOM 1879 C MET A 124 22.546 32.716 -12.386 1.00 0.15 C ATOM 1880 O MET A 124 21.571 33.443 -12.423 1.00 0.16 O ATOM 1881 CB MET A 124 22.123 30.319 -11.740 1.00 0.22 C ATOM 1882 CG MET A 124 21.931 28.909 -12.303 1.00 0.28 C ATOM 1883 SD MET A 124 21.845 27.723 -10.939 1.00 0.45 S ATOM 1884 CE MET A 124 21.434 26.269 -11.933 1.00 0.51 C ATOM 0 H MET A 124 24.301 30.171 -12.886 1.00 0.22 H new ATOM 0 HA MET A 124 21.699 31.202 -13.637 1.00 0.18 H new ATOM 0 HB2 MET A 124 22.915 30.320 -10.991 1.00 0.22 H new ATOM 0 HB3 MET A 124 21.212 30.652 -11.242 1.00 0.22 H new ATOM 0 HG2 MET A 124 21.018 28.864 -12.897 1.00 0.28 H new ATOM 0 HG3 MET A 124 22.757 28.656 -12.968 1.00 0.28 H new ATOM 0 HE1 MET A 124 21.296 25.408 -11.279 1.00 0.51 H new ATOM 0 HE2 MET A 124 20.514 26.455 -12.487 1.00 0.51 H new ATOM 0 HE3 MET A 124 22.244 26.066 -12.633 1.00 0.51 H new ATOM 1894 N ILE A 125 23.699 33.152 -11.951 1.00 0.19 N ATOM 1895 CA ILE A 125 23.851 34.566 -11.485 1.00 0.19 C ATOM 1896 C ILE A 125 23.857 35.506 -12.703 1.00 0.20 C ATOM 1897 O ILE A 125 23.517 36.667 -12.599 1.00 0.20 O ATOM 1898 CB ILE A 125 25.177 34.687 -10.724 1.00 0.21 C ATOM 1899 CG1 ILE A 125 25.028 34.012 -9.356 1.00 0.25 C ATOM 1900 CG2 ILE A 125 25.539 36.166 -10.535 1.00 0.25 C ATOM 1901 CD1 ILE A 125 26.381 33.955 -8.645 1.00 0.25 C ATOM 0 H ILE A 125 24.547 32.588 -11.897 1.00 0.19 H new ATOM 0 HA ILE A 125 23.024 34.841 -10.831 1.00 0.19 H new ATOM 0 HB ILE A 125 25.970 34.201 -11.292 1.00 0.21 H new ATOM 0 HG12 ILE A 125 24.312 34.563 -8.747 1.00 0.25 H new ATOM 0 HG13 ILE A 125 24.632 33.004 -9.481 1.00 0.25 H new ATOM 0 HG21 ILE A 125 26.482 36.243 -9.994 1.00 0.25 H new ATOM 0 HG22 ILE A 125 25.640 36.643 -11.510 1.00 0.25 H new ATOM 0 HG23 ILE A 125 24.753 36.663 -9.967 1.00 0.25 H new ATOM 0 HD11 ILE A 125 26.262 33.473 -7.674 1.00 0.25 H new ATOM 0 HD12 ILE A 125 27.086 33.384 -9.249 1.00 0.25 H new ATOM 0 HD13 ILE A 125 26.761 34.967 -8.504 1.00 0.25 H new ATOM 1913 N ARG A 126 24.259 35.018 -13.849 1.00 0.23 N ATOM 1914 CA ARG A 126 24.303 35.890 -15.062 1.00 0.28 C ATOM 1915 C ARG A 126 22.886 36.369 -15.420 1.00 0.33 C ATOM 1916 O ARG A 126 22.657 37.546 -15.609 1.00 0.38 O ATOM 1917 CB ARG A 126 24.907 35.103 -16.242 1.00 0.31 C ATOM 1918 CG ARG A 126 26.448 35.155 -16.185 1.00 0.26 C ATOM 1919 CD ARG A 126 26.960 36.592 -16.436 1.00 1.38 C ATOM 1920 NE ARG A 126 28.135 36.561 -17.368 1.00 1.50 N ATOM 1921 CZ ARG A 126 29.121 35.719 -17.195 1.00 0.79 C ATOM 1922 NH1 ARG A 126 29.166 34.956 -16.139 1.00 0.89 N ATOM 1923 NH2 ARG A 126 30.087 35.668 -18.070 1.00 1.27 N ATOM 0 H ARG A 126 24.558 34.054 -13.997 1.00 0.23 H new ATOM 0 HA ARG A 126 24.925 36.761 -14.854 1.00 0.28 H new ATOM 0 HB2 ARG A 126 24.569 34.067 -16.208 1.00 0.31 H new ATOM 0 HB3 ARG A 126 24.556 35.522 -17.185 1.00 0.31 H new ATOM 0 HG2 ARG A 126 26.792 34.807 -15.211 1.00 0.26 H new ATOM 0 HG3 ARG A 126 26.867 34.480 -16.931 1.00 0.26 H new ATOM 0 HD2 ARG A 126 26.163 37.202 -16.862 1.00 1.38 H new ATOM 0 HD3 ARG A 126 27.246 37.055 -15.492 1.00 1.38 H new ATOM 0 HE ARG A 126 28.166 37.211 -18.154 1.00 1.50 H new ATOM 0 HH11 ARG A 126 28.428 35.012 -15.438 1.00 0.89 H new ATOM 0 HH12 ARG A 126 29.940 34.303 -16.014 1.00 0.89 H new ATOM 0 HH21 ARG A 126 30.071 36.283 -18.884 1.00 1.27 H new ATOM 0 HH22 ARG A 126 30.858 35.013 -17.940 1.00 1.27 H new ATOM 1937 N GLU A 127 21.938 35.475 -15.534 1.00 0.33 N ATOM 1938 CA GLU A 127 20.554 35.914 -15.903 1.00 0.38 C ATOM 1939 C GLU A 127 19.823 36.481 -14.670 1.00 0.35 C ATOM 1940 O GLU A 127 18.851 37.199 -14.801 1.00 0.42 O ATOM 1941 CB GLU A 127 19.767 34.720 -16.474 1.00 0.40 C ATOM 1942 CG GLU A 127 20.169 34.490 -17.935 1.00 0.49 C ATOM 1943 CD GLU A 127 19.516 35.552 -18.822 1.00 1.23 C ATOM 1944 OE1 GLU A 127 18.369 35.364 -19.191 1.00 1.76 O ATOM 1945 OE2 GLU A 127 20.175 36.535 -19.117 1.00 2.54 O ATOM 0 H GLU A 127 22.057 34.472 -15.390 1.00 0.33 H new ATOM 0 HA GLU A 127 20.623 36.697 -16.658 1.00 0.38 H new ATOM 0 HB2 GLU A 127 19.968 33.825 -15.886 1.00 0.40 H new ATOM 0 HB3 GLU A 127 18.696 34.912 -16.407 1.00 0.40 H new ATOM 0 HG2 GLU A 127 21.253 34.535 -18.035 1.00 0.49 H new ATOM 0 HG3 GLU A 127 19.860 33.495 -18.255 1.00 0.49 H new ATOM 1952 N ALA A 128 20.302 36.212 -13.481 1.00 0.26 N ATOM 1953 CA ALA A 128 19.673 36.773 -12.267 1.00 0.26 C ATOM 1954 C ALA A 128 20.371 38.091 -11.989 1.00 0.35 C ATOM 1955 O ALA A 128 21.325 38.151 -11.264 1.00 0.41 O ATOM 1956 CB ALA A 128 19.857 35.848 -11.074 1.00 0.20 C ATOM 0 H ALA A 128 21.113 35.619 -13.308 1.00 0.26 H new ATOM 0 HA ALA A 128 18.602 36.900 -12.423 1.00 0.26 H new ATOM 0 HB1 ALA A 128 19.384 36.288 -10.196 1.00 0.20 H new ATOM 0 HB2 ALA A 128 19.399 34.883 -11.288 1.00 0.20 H new ATOM 0 HB3 ALA A 128 20.921 35.710 -10.881 1.00 0.20 H new ATOM 1962 N ASP A 129 19.939 39.119 -12.616 1.00 0.45 N ATOM 1963 CA ASP A 129 20.597 40.461 -12.454 1.00 0.54 C ATOM 1964 C ASP A 129 21.012 40.685 -10.992 1.00 0.46 C ATOM 1965 O ASP A 129 20.286 41.241 -10.192 1.00 0.37 O ATOM 1966 CB ASP A 129 19.641 41.593 -12.882 1.00 0.57 C ATOM 1967 CG ASP A 129 20.275 42.949 -12.556 1.00 1.51 C ATOM 1968 OD1 ASP A 129 21.481 42.989 -12.379 1.00 2.65 O ATOM 1969 OD2 ASP A 129 19.543 43.922 -12.492 1.00 2.31 O ATOM 0 H ASP A 129 19.142 39.110 -13.253 1.00 0.45 H new ATOM 0 HA ASP A 129 21.482 40.475 -13.090 1.00 0.54 H new ATOM 0 HB2 ASP A 129 19.434 41.524 -13.950 1.00 0.57 H new ATOM 0 HB3 ASP A 129 18.687 41.492 -12.365 1.00 0.57 H new ATOM 1974 N ILE A 130 22.214 40.278 -10.675 1.00 0.60 N ATOM 1975 CA ILE A 130 22.791 40.457 -9.343 1.00 0.80 C ATOM 1976 C ILE A 130 24.062 41.255 -9.561 1.00 1.39 C ATOM 1977 O ILE A 130 24.905 40.930 -10.375 1.00 3.21 O ATOM 1978 CB ILE A 130 23.193 39.112 -8.721 1.00 0.54 C ATOM 1979 CG1 ILE A 130 21.984 38.112 -8.669 1.00 0.91 C ATOM 1980 CG2 ILE A 130 23.799 39.339 -7.335 1.00 0.70 C ATOM 1981 CD1 ILE A 130 21.842 37.400 -7.302 1.00 1.33 C ATOM 0 H ILE A 130 22.836 39.807 -11.332 1.00 0.60 H new ATOM 0 HA ILE A 130 22.072 40.939 -8.681 1.00 0.80 H new ATOM 0 HB ILE A 130 23.949 38.651 -9.356 1.00 0.54 H new ATOM 0 HG12 ILE A 130 21.063 38.653 -8.887 1.00 0.91 H new ATOM 0 HG13 ILE A 130 22.106 37.363 -9.451 1.00 0.91 H new ATOM 0 HG21 ILE A 130 24.082 38.380 -6.900 1.00 0.70 H new ATOM 0 HG22 ILE A 130 24.682 39.972 -7.423 1.00 0.70 H new ATOM 0 HG23 ILE A 130 23.066 39.827 -6.693 1.00 0.70 H new ATOM 0 HD11 ILE A 130 20.988 36.723 -7.331 1.00 1.33 H new ATOM 0 HD12 ILE A 130 22.748 36.832 -7.092 1.00 1.33 H new ATOM 0 HD13 ILE A 130 21.689 38.143 -6.519 1.00 1.33 H new ATOM 1993 N ASP A 131 24.190 42.259 -8.818 1.00 0.71 N ATOM 1994 CA ASP A 131 25.385 43.138 -8.863 1.00 1.18 C ATOM 1995 C ASP A 131 26.211 42.820 -7.622 1.00 3.48 C ATOM 1996 O ASP A 131 26.241 41.694 -7.165 1.00 4.86 O ATOM 1997 CB ASP A 131 24.942 44.621 -8.885 1.00 1.29 C ATOM 1998 CG ASP A 131 26.150 45.516 -9.165 1.00 0.70 C ATOM 1999 OD1 ASP A 131 26.708 45.405 -10.245 1.00 1.10 O ATOM 2000 OD2 ASP A 131 26.499 46.298 -8.296 1.00 1.30 O ATOM 0 H ASP A 131 23.490 42.545 -8.133 1.00 0.71 H new ATOM 0 HA ASP A 131 25.979 42.968 -9.761 1.00 1.18 H new ATOM 0 HB2 ASP A 131 24.181 44.772 -9.650 1.00 1.29 H new ATOM 0 HB3 ASP A 131 24.492 44.890 -7.930 1.00 1.29 H new ATOM 2005 N GLY A 132 26.874 43.781 -7.078 1.00 4.08 N ATOM 2006 CA GLY A 132 27.707 43.552 -5.857 1.00 6.48 C ATOM 2007 C GLY A 132 27.139 44.370 -4.703 1.00 6.22 C ATOM 2008 O GLY A 132 27.687 44.396 -3.616 1.00 7.68 O ATOM 0 H GLY A 132 26.883 44.740 -7.425 1.00 4.08 H new ATOM 0 HA2 GLY A 132 27.713 42.493 -5.600 1.00 6.48 H new ATOM 0 HA3 GLY A 132 28.741 43.839 -6.048 1.00 6.48 H new ATOM 2012 N ASP A 133 26.044 45.050 -4.928 1.00 4.48 N ATOM 2013 CA ASP A 133 25.433 45.881 -3.845 1.00 4.26 C ATOM 2014 C ASP A 133 23.908 45.761 -3.893 1.00 1.78 C ATOM 2015 O ASP A 133 23.212 46.756 -3.920 1.00 0.48 O ATOM 2016 CB ASP A 133 25.829 47.344 -4.052 1.00 5.90 C ATOM 2017 CG ASP A 133 25.500 48.145 -2.792 1.00 6.70 C ATOM 2018 OD1 ASP A 133 26.255 48.050 -1.839 1.00 8.09 O ATOM 2019 OD2 ASP A 133 24.500 48.842 -2.802 1.00 6.04 O ATOM 0 H ASP A 133 25.545 45.066 -5.817 1.00 4.48 H new ATOM 0 HA ASP A 133 25.791 45.531 -2.877 1.00 4.26 H new ATOM 0 HB2 ASP A 133 26.894 47.416 -4.273 1.00 5.90 H new ATOM 0 HB3 ASP A 133 25.297 47.758 -4.908 1.00 5.90 H new ATOM 2024 N GLY A 134 23.369 44.567 -3.913 1.00 1.32 N ATOM 2025 CA GLY A 134 21.880 44.444 -3.970 1.00 1.25 C ATOM 2026 C GLY A 134 21.419 43.085 -3.380 1.00 1.01 C ATOM 2027 O GLY A 134 22.235 42.219 -3.128 1.00 1.00 O ATOM 0 H GLY A 134 23.884 43.687 -3.893 1.00 1.32 H new ATOM 0 HA2 GLY A 134 21.421 45.262 -3.414 1.00 1.25 H new ATOM 0 HA3 GLY A 134 21.542 44.531 -5.003 1.00 1.25 H new ATOM 2031 N GLN A 135 20.116 42.874 -3.178 1.00 0.87 N ATOM 2032 CA GLN A 135 19.620 41.572 -2.637 1.00 0.60 C ATOM 2033 C GLN A 135 18.586 41.033 -3.625 1.00 0.67 C ATOM 2034 O GLN A 135 18.057 41.778 -4.426 1.00 0.82 O ATOM 2035 CB GLN A 135 18.960 41.805 -1.273 1.00 0.34 C ATOM 2036 CG GLN A 135 19.824 42.750 -0.429 1.00 0.17 C ATOM 2037 CD GLN A 135 19.467 42.593 1.052 1.00 0.23 C ATOM 2038 OE1 GLN A 135 19.300 41.492 1.536 1.00 0.79 O ATOM 2039 NE2 GLN A 135 19.342 43.659 1.798 1.00 0.61 N ATOM 0 H GLN A 135 19.387 43.561 -3.371 1.00 0.87 H new ATOM 0 HA GLN A 135 20.439 40.864 -2.512 1.00 0.60 H new ATOM 0 HB2 GLN A 135 17.966 42.231 -1.408 1.00 0.34 H new ATOM 0 HB3 GLN A 135 18.832 40.855 -0.754 1.00 0.34 H new ATOM 0 HG2 GLN A 135 20.880 42.528 -0.584 1.00 0.17 H new ATOM 0 HG3 GLN A 135 19.665 43.781 -0.744 1.00 0.17 H new ATOM 0 HE21 GLN A 135 19.482 44.584 1.393 1.00 0.61 H new ATOM 0 HE22 GLN A 135 19.104 43.565 2.786 1.00 0.61 H new ATOM 2048 N VAL A 136 18.306 39.754 -3.614 1.00 0.59 N ATOM 2049 CA VAL A 136 17.323 39.201 -4.593 1.00 0.69 C ATOM 2050 C VAL A 136 16.485 38.110 -3.923 1.00 0.51 C ATOM 2051 O VAL A 136 16.951 37.398 -3.055 1.00 0.34 O ATOM 2052 CB VAL A 136 18.105 38.578 -5.762 1.00 0.87 C ATOM 2053 CG1 VAL A 136 17.258 38.538 -7.048 1.00 1.05 C ATOM 2054 CG2 VAL A 136 19.381 39.384 -6.029 1.00 1.03 C ATOM 0 H VAL A 136 18.713 39.073 -2.973 1.00 0.59 H new ATOM 0 HA VAL A 136 16.666 39.995 -4.947 1.00 0.69 H new ATOM 0 HB VAL A 136 18.360 37.556 -5.481 1.00 0.87 H new ATOM 0 HG11 VAL A 136 17.841 38.092 -7.854 1.00 1.05 H new ATOM 0 HG12 VAL A 136 16.362 37.942 -6.875 1.00 1.05 H new ATOM 0 HG13 VAL A 136 16.971 39.552 -7.326 1.00 1.05 H new ATOM 0 HG21 VAL A 136 19.928 38.935 -6.858 1.00 1.03 H new ATOM 0 HG22 VAL A 136 19.117 40.411 -6.282 1.00 1.03 H new ATOM 0 HG23 VAL A 136 20.007 39.380 -5.137 1.00 1.03 H new ATOM 2064 N ASN A 137 15.271 37.948 -4.353 1.00 0.60 N ATOM 2065 CA ASN A 137 14.427 36.872 -3.784 1.00 0.50 C ATOM 2066 C ASN A 137 14.921 35.555 -4.385 1.00 0.34 C ATOM 2067 O ASN A 137 15.840 35.547 -5.182 1.00 0.35 O ATOM 2068 CB ASN A 137 12.956 37.124 -4.140 1.00 0.68 C ATOM 2069 CG ASN A 137 12.126 35.864 -3.896 1.00 1.70 C ATOM 2070 OD1 ASN A 137 11.771 35.167 -4.822 1.00 1.87 O ATOM 2071 ND2 ASN A 137 11.799 35.536 -2.674 1.00 2.65 N ATOM 0 H ASN A 137 14.827 38.515 -5.075 1.00 0.60 H new ATOM 0 HA ASN A 137 14.498 36.840 -2.697 1.00 0.50 H new ATOM 0 HB2 ASN A 137 12.566 37.946 -3.540 1.00 0.68 H new ATOM 0 HB3 ASN A 137 12.874 37.425 -5.185 1.00 0.68 H new ATOM 0 HD21 ASN A 137 11.247 34.696 -2.502 1.00 2.65 H new ATOM 0 HD22 ASN A 137 12.096 36.120 -1.892 1.00 2.65 H new ATOM 2078 N TYR A 138 14.358 34.449 -3.991 1.00 0.73 N ATOM 2079 CA TYR A 138 14.837 33.118 -4.516 1.00 0.64 C ATOM 2080 C TYR A 138 13.852 32.500 -5.540 1.00 0.61 C ATOM 2081 O TYR A 138 14.272 31.726 -6.368 1.00 0.54 O ATOM 2082 CB TYR A 138 15.033 32.156 -3.318 1.00 0.68 C ATOM 2083 CG TYR A 138 14.137 32.578 -2.175 1.00 0.49 C ATOM 2084 CD1 TYR A 138 14.467 33.702 -1.404 1.00 0.70 C ATOM 2085 CD2 TYR A 138 12.967 31.860 -1.899 1.00 1.30 C ATOM 2086 CE1 TYR A 138 13.626 34.105 -0.360 1.00 0.88 C ATOM 2087 CE2 TYR A 138 12.133 32.259 -0.853 1.00 1.12 C ATOM 2088 CZ TYR A 138 12.458 33.382 -0.083 1.00 0.28 C ATOM 2089 OH TYR A 138 11.628 33.779 0.944 1.00 0.34 O ATOM 0 H TYR A 138 13.585 34.397 -3.328 1.00 0.73 H new ATOM 0 HA TYR A 138 15.779 33.275 -5.041 1.00 0.64 H new ATOM 0 HB2 TYR A 138 14.800 31.134 -3.618 1.00 0.68 H new ATOM 0 HB3 TYR A 138 16.075 32.165 -2.999 1.00 0.68 H new ATOM 0 HD1 TYR A 138 15.369 34.256 -1.616 1.00 0.70 H new ATOM 0 HD2 TYR A 138 12.710 30.997 -2.496 1.00 1.30 H new ATOM 0 HE1 TYR A 138 13.877 34.973 0.232 1.00 0.88 H new ATOM 0 HE2 TYR A 138 11.235 31.700 -0.637 1.00 1.12 H new ATOM 0 HH TYR A 138 10.863 33.170 1.000 1.00 0.34 H new ATOM 2099 N GLU A 139 12.565 32.799 -5.495 1.00 0.69 N ATOM 2100 CA GLU A 139 11.609 32.175 -6.476 1.00 0.70 C ATOM 2101 C GLU A 139 12.244 32.102 -7.871 1.00 0.56 C ATOM 2102 O GLU A 139 12.112 31.115 -8.567 1.00 0.60 O ATOM 2103 CB GLU A 139 10.312 33.004 -6.541 1.00 0.80 C ATOM 2104 CG GLU A 139 9.384 32.619 -5.384 1.00 1.03 C ATOM 2105 CD GLU A 139 10.147 32.699 -4.061 1.00 2.19 C ATOM 2106 OE1 GLU A 139 11.010 31.865 -3.849 1.00 3.28 O ATOM 2107 OE2 GLU A 139 9.855 33.593 -3.285 1.00 2.96 O ATOM 0 H GLU A 139 12.141 33.443 -4.827 1.00 0.69 H new ATOM 0 HA GLU A 139 11.378 31.164 -6.141 1.00 0.70 H new ATOM 0 HB2 GLU A 139 10.547 34.067 -6.491 1.00 0.80 H new ATOM 0 HB3 GLU A 139 9.809 32.834 -7.493 1.00 0.80 H new ATOM 0 HG2 GLU A 139 8.523 33.286 -5.359 1.00 1.03 H new ATOM 0 HG3 GLU A 139 9.001 31.610 -5.533 1.00 1.03 H new ATOM 2114 N GLU A 140 12.935 33.126 -8.281 1.00 0.41 N ATOM 2115 CA GLU A 140 13.576 33.086 -9.624 1.00 0.29 C ATOM 2116 C GLU A 140 14.746 32.096 -9.591 1.00 0.25 C ATOM 2117 O GLU A 140 14.951 31.324 -10.510 1.00 0.27 O ATOM 2118 CB GLU A 140 14.098 34.481 -9.983 1.00 0.17 C ATOM 2119 CG GLU A 140 12.917 35.440 -10.176 1.00 0.85 C ATOM 2120 CD GLU A 140 12.331 35.809 -8.812 1.00 2.60 C ATOM 2121 OE1 GLU A 140 13.058 36.376 -8.012 1.00 3.48 O ATOM 2122 OE2 GLU A 140 11.167 35.521 -8.591 1.00 3.57 O ATOM 0 H GLU A 140 13.084 33.984 -7.749 1.00 0.41 H new ATOM 0 HA GLU A 140 12.847 32.770 -10.370 1.00 0.29 H new ATOM 0 HB2 GLU A 140 14.753 34.849 -9.193 1.00 0.17 H new ATOM 0 HB3 GLU A 140 14.693 34.434 -10.895 1.00 0.17 H new ATOM 0 HG2 GLU A 140 13.246 36.339 -10.697 1.00 0.85 H new ATOM 0 HG3 GLU A 140 12.153 34.973 -10.797 1.00 0.85 H new ATOM 2129 N PHE A 141 15.517 32.123 -8.539 1.00 0.25 N ATOM 2130 CA PHE A 141 16.684 31.199 -8.438 1.00 0.22 C ATOM 2131 C PHE A 141 16.213 29.765 -8.123 1.00 0.19 C ATOM 2132 O PHE A 141 16.922 28.810 -8.374 1.00 0.09 O ATOM 2133 CB PHE A 141 17.636 31.713 -7.321 1.00 0.26 C ATOM 2134 CG PHE A 141 18.954 32.168 -7.916 1.00 0.25 C ATOM 2135 CD1 PHE A 141 19.890 31.215 -8.327 1.00 0.16 C ATOM 2136 CD2 PHE A 141 19.237 33.535 -8.054 1.00 0.35 C ATOM 2137 CE1 PHE A 141 21.110 31.626 -8.873 1.00 0.17 C ATOM 2138 CE2 PHE A 141 20.471 33.938 -8.607 1.00 0.36 C ATOM 2139 CZ PHE A 141 21.393 32.982 -9.011 1.00 0.27 C ATOM 0 H PHE A 141 15.389 32.747 -7.742 1.00 0.25 H new ATOM 0 HA PHE A 141 17.214 31.177 -9.390 1.00 0.22 H new ATOM 0 HB2 PHE A 141 17.167 32.539 -6.787 1.00 0.26 H new ATOM 0 HB3 PHE A 141 17.813 30.922 -6.593 1.00 0.26 H new ATOM 0 HD1 PHE A 141 19.671 30.162 -8.223 1.00 0.16 H new ATOM 0 HD2 PHE A 141 18.515 34.274 -7.739 1.00 0.35 H new ATOM 0 HE1 PHE A 141 21.834 30.890 -9.188 1.00 0.17 H new ATOM 0 HE2 PHE A 141 20.698 34.988 -8.716 1.00 0.36 H new ATOM 0 HZ PHE A 141 22.336 33.292 -9.435 1.00 0.27 H new ATOM 2149 N VAL A 142 15.035 29.599 -7.583 1.00 0.30 N ATOM 2150 CA VAL A 142 14.558 28.220 -7.270 1.00 0.30 C ATOM 2151 C VAL A 142 14.240 27.496 -8.576 1.00 0.28 C ATOM 2152 O VAL A 142 14.643 26.371 -8.794 1.00 0.28 O ATOM 2153 CB VAL A 142 13.283 28.283 -6.419 1.00 0.39 C ATOM 2154 CG1 VAL A 142 12.759 26.858 -6.196 1.00 0.37 C ATOM 2155 CG2 VAL A 142 13.580 28.959 -5.060 1.00 0.43 C ATOM 0 H VAL A 142 14.387 30.351 -7.347 1.00 0.30 H new ATOM 0 HA VAL A 142 15.335 27.690 -6.719 1.00 0.30 H new ATOM 0 HB VAL A 142 12.528 28.873 -6.939 1.00 0.39 H new ATOM 0 HG11 VAL A 142 11.853 26.894 -5.592 1.00 0.37 H new ATOM 0 HG12 VAL A 142 12.535 26.398 -7.158 1.00 0.37 H new ATOM 0 HG13 VAL A 142 13.516 26.269 -5.679 1.00 0.37 H new ATOM 0 HG21 VAL A 142 12.667 28.998 -4.466 1.00 0.43 H new ATOM 0 HG22 VAL A 142 14.337 28.385 -4.526 1.00 0.43 H new ATOM 0 HG23 VAL A 142 13.946 29.972 -5.230 1.00 0.43 H new ATOM 2165 N GLN A 143 13.511 28.141 -9.444 1.00 0.30 N ATOM 2166 CA GLN A 143 13.146 27.505 -10.740 1.00 0.31 C ATOM 2167 C GLN A 143 14.406 27.286 -11.581 1.00 0.25 C ATOM 2168 O GLN A 143 14.466 26.396 -12.406 1.00 0.27 O ATOM 2169 CB GLN A 143 12.181 28.417 -11.500 1.00 0.35 C ATOM 2170 CG GLN A 143 10.906 28.631 -10.674 1.00 0.31 C ATOM 2171 CD GLN A 143 10.165 27.305 -10.515 1.00 1.83 C ATOM 2172 OE1 GLN A 143 10.375 26.381 -11.278 1.00 2.80 O ATOM 2173 NE2 GLN A 143 9.300 27.166 -9.550 1.00 2.54 N ATOM 0 H GLN A 143 13.151 29.086 -9.310 1.00 0.30 H new ATOM 0 HA GLN A 143 12.668 26.544 -10.548 1.00 0.31 H new ATOM 0 HB2 GLN A 143 12.658 29.376 -11.704 1.00 0.35 H new ATOM 0 HB3 GLN A 143 11.930 27.974 -12.464 1.00 0.35 H new ATOM 0 HG2 GLN A 143 11.160 29.036 -9.694 1.00 0.31 H new ATOM 0 HG3 GLN A 143 10.262 29.362 -11.164 1.00 0.31 H new ATOM 0 HE21 GLN A 143 9.122 27.939 -8.909 1.00 2.54 H new ATOM 0 HE22 GLN A 143 8.801 26.284 -9.436 1.00 2.54 H new ATOM 2182 N MET A 144 15.414 28.092 -11.382 1.00 0.20 N ATOM 2183 CA MET A 144 16.666 27.928 -12.182 1.00 0.18 C ATOM 2184 C MET A 144 17.424 26.679 -11.714 1.00 0.19 C ATOM 2185 O MET A 144 18.003 25.963 -12.506 1.00 0.27 O ATOM 2186 CB MET A 144 17.555 29.171 -12.002 1.00 0.18 C ATOM 2187 CG MET A 144 17.092 30.293 -12.941 1.00 0.18 C ATOM 2188 SD MET A 144 17.700 31.881 -12.320 1.00 0.48 S ATOM 2189 CE MET A 144 16.511 32.936 -13.183 1.00 1.12 C ATOM 0 H MET A 144 15.427 28.854 -10.704 1.00 0.20 H new ATOM 0 HA MET A 144 16.408 27.814 -13.235 1.00 0.18 H new ATOM 0 HB2 MET A 144 17.512 29.511 -10.967 1.00 0.18 H new ATOM 0 HB3 MET A 144 18.594 28.917 -12.211 1.00 0.18 H new ATOM 0 HG2 MET A 144 17.466 30.116 -13.949 1.00 0.18 H new ATOM 0 HG3 MET A 144 16.004 30.306 -13.002 1.00 0.18 H new ATOM 0 HE1 MET A 144 16.706 33.980 -12.938 1.00 1.12 H new ATOM 0 HE2 MET A 144 16.609 32.791 -14.259 1.00 1.12 H new ATOM 0 HE3 MET A 144 15.500 32.674 -12.873 1.00 1.12 H new ATOM 2199 N MET A 145 17.431 26.415 -10.438 1.00 0.17 N ATOM 2200 CA MET A 145 18.162 25.217 -9.930 1.00 0.20 C ATOM 2201 C MET A 145 17.455 23.939 -10.387 1.00 0.21 C ATOM 2202 O MET A 145 18.050 22.882 -10.446 1.00 0.28 O ATOM 2203 CB MET A 145 18.204 25.261 -8.397 1.00 0.24 C ATOM 2204 CG MET A 145 19.146 26.390 -7.903 1.00 0.27 C ATOM 2205 SD MET A 145 20.412 25.706 -6.796 1.00 0.27 S ATOM 2206 CE MET A 145 19.335 25.314 -5.390 1.00 0.13 C ATOM 0 H MET A 145 16.964 26.974 -9.724 1.00 0.17 H new ATOM 0 HA MET A 145 19.178 25.221 -10.326 1.00 0.20 H new ATOM 0 HB2 MET A 145 17.199 25.422 -8.006 1.00 0.24 H new ATOM 0 HB3 MET A 145 18.546 24.301 -8.011 1.00 0.24 H new ATOM 0 HG2 MET A 145 19.621 26.877 -8.755 1.00 0.27 H new ATOM 0 HG3 MET A 145 18.569 27.153 -7.381 1.00 0.27 H new ATOM 0 HE1 MET A 145 19.894 25.427 -4.461 1.00 0.13 H new ATOM 0 HE2 MET A 145 18.482 25.992 -5.385 1.00 0.13 H new ATOM 0 HE3 MET A 145 18.981 24.287 -5.478 1.00 0.13 H new ATOM 2216 N THR A 146 16.192 24.019 -10.706 1.00 0.20 N ATOM 2217 CA THR A 146 15.458 22.820 -11.151 1.00 0.29 C ATOM 2218 C THR A 146 15.882 22.484 -12.579 1.00 0.53 C ATOM 2219 O THR A 146 16.458 21.450 -12.852 1.00 0.97 O ATOM 2220 CB THR A 146 13.955 23.156 -11.080 1.00 0.43 C ATOM 2221 OG1 THR A 146 13.814 24.541 -10.814 1.00 0.37 O ATOM 2222 CG2 THR A 146 13.275 22.366 -9.960 1.00 0.52 C ATOM 0 H THR A 146 15.640 24.876 -10.674 1.00 0.20 H new ATOM 0 HA THR A 146 15.671 21.954 -10.524 1.00 0.29 H new ATOM 0 HB THR A 146 13.487 22.892 -12.028 1.00 0.43 H new ATOM 0 HG1 THR A 146 13.762 25.033 -11.660 1.00 0.37 H new ATOM 0 HG21 THR A 146 12.215 22.619 -9.928 1.00 0.52 H new ATOM 0 HG22 THR A 146 13.388 21.298 -10.148 1.00 0.52 H new ATOM 0 HG23 THR A 146 13.737 22.617 -9.005 1.00 0.52 H new ATOM 2230 N ALA A 147 15.601 23.370 -13.474 1.00 0.33 N ATOM 2231 CA ALA A 147 15.969 23.172 -14.897 1.00 0.50 C ATOM 2232 C ALA A 147 15.503 24.385 -15.689 1.00 0.48 C ATOM 2233 O ALA A 147 14.327 24.668 -15.799 1.00 0.83 O ATOM 2234 CB ALA A 147 15.304 21.924 -15.462 1.00 1.11 C ATOM 0 H ALA A 147 15.119 24.248 -13.279 1.00 0.33 H new ATOM 0 HA ALA A 147 17.050 23.051 -14.971 1.00 0.50 H new ATOM 0 HB1 ALA A 147 15.590 21.801 -16.507 1.00 1.11 H new ATOM 0 HB2 ALA A 147 15.625 21.051 -14.893 1.00 1.11 H new ATOM 0 HB3 ALA A 147 14.221 22.025 -15.391 1.00 1.11 H new ATOM 2240 N LYS A 148 16.426 25.097 -16.235 1.00 0.91 N ATOM 2241 CA LYS A 148 16.078 26.305 -17.033 1.00 1.48 C ATOM 2242 C LYS A 148 15.327 25.881 -18.297 1.00 1.76 C ATOM 2243 O LYS A 148 15.952 25.287 -19.160 1.00 1.92 O ATOM 2244 CB LYS A 148 17.358 27.059 -17.427 1.00 1.75 C ATOM 2245 CG LYS A 148 18.195 27.405 -16.167 1.00 1.85 C ATOM 2246 CD LYS A 148 19.347 26.399 -15.985 1.00 1.33 C ATOM 2247 CE LYS A 148 20.541 26.805 -16.858 1.00 2.11 C ATOM 2248 NZ LYS A 148 21.128 28.069 -16.334 1.00 3.09 N ATOM 2249 OXT LYS A 148 14.141 26.153 -18.379 1.00 2.24 O ATOM 0 H LYS A 148 17.424 24.899 -16.168 1.00 0.91 H new ATOM 0 HA LYS A 148 15.446 26.961 -16.434 1.00 1.48 H new ATOM 0 HB2 LYS A 148 17.951 26.449 -18.109 1.00 1.75 H new ATOM 0 HB3 LYS A 148 17.099 27.973 -17.961 1.00 1.75 H new ATOM 0 HG2 LYS A 148 18.598 28.414 -16.258 1.00 1.85 H new ATOM 0 HG3 LYS A 148 17.555 27.395 -15.285 1.00 1.85 H new ATOM 0 HD2 LYS A 148 19.647 26.363 -14.938 1.00 1.33 H new ATOM 0 HD3 LYS A 148 19.012 25.397 -16.255 1.00 1.33 H new ATOM 0 HE2 LYS A 148 21.292 26.015 -16.858 1.00 2.11 H new ATOM 0 HE3 LYS A 148 20.221 26.940 -17.891 1.00 2.11 H new ATOM 0 HZ1 LYS A 148 22.136 28.113 -16.584 1.00 3.09 H new ATOM 0 HZ2 LYS A 148 20.632 28.882 -16.752 1.00 3.09 H new ATOM 0 HZ3 LYS A 148 21.027 28.096 -15.299 1.00 3.09 H new TER 2263 LYS A 148